A0A087YLG3_POEFO Loading...

Cytosolic carboxypeptidase 1

AlphaFold DB , UniProt , Accession A0A087YLG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,235 aa.

						>A0A087YLG3_POEFO|A0A087YLG3
MNKPKMATEKGVPSNSKVAMLLCQLEKMNEEVLVRDVETTRLVTAKILHLIQTQERSGKEVMSKGSSGMEVILSSLENSRDVQTTLNIMSILSELLTVGRGRRVGVFVSKGGTGVLFQILISASKDLPPSEELMLQLHSLLAKVGPKDRKFGVKARLSGALNVTVDVVKQNLQNSKVLLPCLQVLRIYSNNSVNAISLGKTGMVEIIFKIVGPYSKKNTSLFKVALDALGALLKSKTNARRAVDSGHVPVLLALYLDWHRNDTRHRCMLIRKGLLVCLRNITNIKLGRRAFLEADGIRILYHSSTECLPVRTLDPLINTSSLIMRKCFPKNRLPVPTIKSAFHFQLPQVPPGGPVDQLYNQLSGVDDVVDESDDDEEAEGETDTENDEDKDQCSLNDDIETDLNKLHPNRNIGRPFEELKDYQKFFSELSEDFQGYSFDFSKSASTTSPSTYLFSSSSARFSRPAEVPTAQTPSPKQIPDSQNVCTSVKEHQTLSSPFLACSQTPLDLDTIHLSKNKEKQEGINIPAPDRRTAPTSISTSLSQGHMIEQELAQPLEGVSLEDKGNQSAEAGSEKVKHEGSPVNNLRHFQPPLLLGGFPVRRTGGGGSNVGSDCGSEGTEDEAGDAPLLEVPDTAQLLPLHDPDLYVEMVKGTQSVPQYAEVAYPDYFGHIAPMLKEPLLERIYGVQRSKIFQDIERLIHPNDILDKVVYDIDHPSSMIEENGESLKFNSQFESGNLRKAIQVRKYEYDLVLNADINSNHYHQWFYFEVSGMRTGTGYRFNIINCEKSNSQFNYGMQPLMYSVQEAIGGKPQWVRTGTDICYYKNHFARSSVATGGQKGKSYYTLTFTVTFIHKDDVCYFAYHYPYTYSTLKMHLSKLEDMRTPQIYLRQDVLCETLSGNTCPLLTITAMPESKSTDHICQFRNRPFIFLSARVHPGETNASWVMKGTLEFLMGTSPLAVNLREAYIFKIVPMLNPDGVVNGNHRCSLSGEDLNRQWQNPDPELHPTIYHTKSLLQYLAYIQRAPLVFCDYHGHSRKKNVFMYGCSVKETVWQSDISATSSDLQEDLGYRTLPKILSQIAPAFSLASSSFVVERSKESTARVVVWREIGVKRSYTMESTLCGCDQGKYKGLQISTRELEEMGAQFCVAMLRLKRLTSLRNHQNLMDLESDIIGTQSKNVSSCTTTYVLEEDEPSFLEAIDYSAESNDEDAEPESDVCGDGQENFDQLSDSETIHRN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	32.8	Very low	239 Å²	239	163.7 Å²	163.7	100%	1.177	88%	0.876	S	S	*	*				0	120.4	0	-75.4	165.5	129	0	0	109.4
2	N	30.2	Very low	33	Very low	170 Å²	170	160.2 Å²	160.2	91%	0.909	86%	0.864	S	S	*	*			trans	-174	160.4	132.9	-100.5	-29.7	0	0	0	110.6
3	K	29.5	Very low	33.6	Very low	194 Å²	194	156.5 Å²	156.5	84%	0.843	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-77.6	152.8	-163.7	-74.6	-178.1	176.7	179.5	0	114
4	P	35.9	Very low	34.7	Very low	124 Å²	124	153.4 Å²	153.4	81%	0.805	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-67.9	147.3	173.7	30.1	-36	0	0	0	111.6
5	K	28	Very low	36.1	Very low	206 Å²	206	153.2 Å²	153.2	90%	0.896	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-85.4	123.5	163.4	-78.9	-176.7	174.6	178.2	0	109.1	A7	K5-A7 PolarHBondContact O-N 3.39Å
6	M	36.5	Very low	38.4	Very low	182 Å²	182	144.9 Å²	144.9	90%	0.897	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.2	126.5	159.1	-69.1	178.2	68.5	0	0	108.6
7	A	30.2	Very low	40.9	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-93	133	160.4	0	0	0	0	0	107.7	K5	K5-A7 PolarHBondContact O-N 3.39Å
8	T	29.2	Very low	43.2	Very low	120 Å²	120	136.8 Å²	136.8	74%	0.736	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-78.4	151.1	-173.2	40.6	0	0	0	0	112.8	K10	T8-K10 PolarHBondContact O-N 3.07Å
9	E	38.7	Very low	45.2	Very low	197 Å²	197	132 Å²	132	92%	0.921	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-55.2	122.9	162.2	-63.5	176.9	118.1	0	0	109.5
10	K	34	Very low	47.1	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	72%	0.722	S	S	*	*			trans	-110.1	114.7	162.6	-79.7	-170.2	172.8	-176.2	0	107.8	T8	T8-K10 PolarHBondContact O-N 3.07Å
11	G	32.9	Very low	49	Very low	77 Å²	77	126.2 Å²	126.2	79%	0.794	69%	0.693	S	S	*	*			trans	-58.1	141.8	-175.8	0	0	0	0	0	113.1
12	V	36.1	Very low	51.3	Low	121 Å²	121	115.3 Å²	115.3	73%	0.733	64%	0.64	S	S	*	*			trans	-65.7	139.7	174.2	179.6	0	0	0	0	109.8	S14	V12-S14 PolarHBondContact O-N 3.17Å; V12-S14 VanDerWaalsContact O-N 3.1Å
13	P	40.2	Very low	53.8	Low	112 Å²	112	109.7 Å²	109.7	73%	0.727	61%	0.613	S	S	*	*			trans	-63.1	112.2	173.8	-20.9	33.2	0	0	0	111.3	N15	P13-N15 PolarHBondContact O-N 3.44Å
14	S	49.3	Very low	56.4	Low	114 Å²	114	105.2 Å²	105.2	80%	0.797	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	50.9	-170.5	49.5	0	0	0	0	114.7	V12	V12-S14 PolarHBondContact O-N 3.17Å; V12-S14 VanDerWaalsContact O-N 3.1Å
15	N	56.3	Low	58.7	Low	150 Å²	150	99.4 Å²	99.4	80%	0.802	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.5	15.6	-179	-100.6	-47.8	0	0	0	115	P13 K17	P13-N15 PolarHBondContact O-N 3.44Å; N15-K17 PolarHBondContact O-N 2.88Å
16	S	72.8	Confident	61.3	Low	21 Å²	21	92.9 Å²	92.9	15%	0.147	53%	0.53	C	S	.	.			trans	-80.9	113.1	170.8	179.7	0	0	0	0	112.1	V18 A19 M20 E60	S16-V18 VanDerWaalsContact C-N 3.28Å; S16-V18 PolarHBondContact O-N 3.2Å; S16-V18 WeakPolarHBondContact OG-CG1 3.41Å; S16-V18 PolarHBondContact OG-N 3.05Å; S16-A19 PolarHBondContact O-N 3.05Å; S16-A19 PolarHBondContact OG-N 3.43Å; S16-M20 PolarHBondContact O-N 2.62Å; S16-M20 VanDerWaalsContact O-N 3.16Å; S16-E60 WeakPolarHBondContact CB-OE1 3.44Å; S16-E60 WeakPolarHBondContact CB-OE2 3.39Å; S16-E60 PolarHBondContact OG-OE1 2.89Å; S16-E60 VanDerWaalsContact OG-OE1 3.06Å; S16-E60 PolarHBondContact OG-OE2 2.89Å
17	K	80.8	Confident	63.4	Low	143 Å²	143	89.9 Å²	89.9	62%	0.622	51%	0.512	S	S	*	.	H	α-helix	trans	-63.2	-32.3	175.7	-65.4	-178.3	179.4	178.8	0	112.6	N15 L21 L50	N15-K17 PolarHBondContact O-N 2.88Å; K17-L21 WeakPolarHBondContact O-CD1 3.44Å; K17-L21 WeakPolarHBondContact O-CG 3.48Å; K17-L21 PolarHBondContact O-N 2.99Å; K17-L50 HydrophobicContact CB-CD1 3.97Å
18	V	82.3	Confident	65.6	Low	1 Å²	1	87 Å²	87	1%	0.006	48%	0.482	C	S	.	.	H	α-helix	trans	-75.1	-38	178	69.4	0	0	0	0	111.4	S16 M20 L21 L22 E60 V61	S16-V18 VanDerWaalsContact C-N 3.28Å; S16-V18 PolarHBondContact O-N 3.2Å; S16-V18 WeakPolarHBondContact OG-CG1 3.41Å; S16-V18 PolarHBondContact OG-N 3.05Å; V18-M20 VanDerWaalsContact C-N 3.35Å; V18-M20 PolarHBondContact O-N 3.05Å; V18-L21 PolarHBondContact O-N 3.28Å; V18-L22 HydrophobicContact CG2-CD1 4.16Å; V18-L22 HydrophobicContact CG2-CG 4.43Å; V18-L22 WeakPolarHBondContact O-CB 3.37Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.29Å; V18-E60 HydrophobicContact CG1-CB 4.5Å; V18-E60 WeakPolarHBondContact CG1-OE2 3.41Å; V18-V61 HydrophobicContact CG2-CG2 3.86Å
19	A	80.9	Confident	67.9	Low	45 Å²	45	82.4 Å²	82.4	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-39.7	174.8	0	0	0	0	0	112.1	S16 L22 C23	S16-A19 PolarHBondContact O-N 3.05Å; S16-A19 PolarHBondContact OG-N 3.43Å; A19-L22 PolarHBondContact O-N 3.23Å; A19-C23 PolarHBondContact O-N 3.1Å
20	M	83.5	Confident	69.3	Low	121 Å²	121	80.1 Å²	80.1	60%	0.596	44%	0.442	S	S	*	.	H	α-helix	trans	-61.3	-45.8	174	-70.6	-178.7	70.3	0	0	112.6	S16 V18 C23 Q24	S16-M20 PolarHBondContact O-N 2.62Å; S16-M20 VanDerWaalsContact O-N 3.16Å; V18-M20 VanDerWaalsContact C-N 3.35Å; V18-M20 PolarHBondContact O-N 3.05Å; M20-C23 PolarHBondContact O-N 3.1Å; M20-Q24 WeakPolarHBondContact O-CG 3.49Å; M20-Q24 PolarHBondContact O-N 3.05Å
21	L	85.5	Confident	70.7	Confident	22 Å²	22	77.4 Å²	77.4	12%	0.115	43%	0.432	C	S	.	.	H	α-helix	trans	-69.3	-33.4	179.1	-72.5	162.1	0	0	0	112.4	K17 V18 Q24 L25 V43 K46 I47 L50	K17-L21 WeakPolarHBondContact O-CD1 3.44Å; K17-L21 WeakPolarHBondContact O-CG 3.48Å; K17-L21 PolarHBondContact O-N 2.99Å; V18-L21 PolarHBondContact O-N 3.28Å; L21-Q24 PolarHBondContact O-N 3.33Å; L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 PolarHBondContact O-N 3.5Å; L21-V43 HydrophobicContact CD2-CG1 4.21Å; L21-K46 HydrophobicContact CD1-CB 4.01Å; L21-K46 HydrophobicContact CD2-CB 4.21Å; L21-K46 HydrophobicContact CD2-CD 4.3Å; L21-I47 HydrophobicContact CB-CD1 3.98Å; L21-I47 HydrophobicContact CB-CG1 3.58Å; L21-I47 HydrophobicContact CD1-CG1 4.2Å; L21-I47 HydrophobicContact CG-CG1 4.43Å; L21-L50 HydrophobicContact CD1-CD1 3.47Å; L21-L50 VanDerWaalsContact CD1-CD1 3.47Å
22	L	84.4	Confident	71.7	Confident	10 Å²	10	79.5 Å²	79.5	5%	0.052	43%	0.429	C	S	.	.	H	α-helix	trans	-65.6	-45	172.2	-76	168	0	0	0	111.6	V18 A19 Q24 L25 E26 I47 V61 V71 I72	V18-L22 HydrophobicContact CG2-CD1 4.16Å; V18-L22 HydrophobicContact CG2-CG 4.43Å; V18-L22 WeakPolarHBondContact O-CB 3.37Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.29Å; A19-L22 PolarHBondContact O-N 3.23Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.45Å; L22-L25 CarbonylContact O-C 3.53Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.9Å; L22-L25 VanDerWaalsContact O-N 3.08Å; L22-E26 VanDerWaalsContact O-CB 3.32Å; L22-E26 WeakPolarHBondContact O-CB 3.21Å; L22-E26 PolarHBondContact O-N 3.03Å; L22-I47 HydrophobicContact CD2-CD1 4.46Å; L22-V61 HydrophobicContact CD1-CG2 3.86Å; L22-V71 HydrophobicContact CD2-CB 4.39Å; L22-V71 HydrophobicContact CD2-CG1 4.19Å; L22-I72 HydrophobicContact CD2-CD1 4.13Å; L22-I72 HydrophobicContact CD2-CG1 3.92Å
23	C	82.8	Confident	72.5	Confident	51 Å²	51	81.6 Å²	81.6	35%	0.345	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-29.5	175.5	-174.1	0	0	0	0	112.7	A19 M20 K27	A19-C23 PolarHBondContact O-N 3.1Å; M20-C23 PolarHBondContact O-N 3.1Å; C23-K27 WeakPolarHBondContact O-CG 3.32Å; C23-K27 PolarHBondContact O-N 3.31Å
24	Q	83.7	Confident	73.2	Confident	100 Å²	100	82.4 Å²	82.4	47%	0.467	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-44.7	168.9	-74.3	177.6	-19	0	0	111.7	M20 L21 L22 M28	M20-Q24 WeakPolarHBondContact O-CG 3.49Å; M20-Q24 PolarHBondContact O-N 3.05Å; L21-Q24 PolarHBondContact O-N 3.33Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.45Å; Q24-M28 WeakPolarHBondContact O-CG 3.3Å; Q24-M28 PolarHBondContact O-N 3.21Å
25	L	84.3	Confident	73.7	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.01	42%	0.416	C	S	.	.	H	α-helix	trans	-65.9	-37.8	178.4	-175	61.9	0	0	0	112.6	L21 L22 M28 N29 T40 V43 T44 I47 V71 S75	L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 PolarHBondContact O-N 3.5Å; L22-L25 CarbonylContact O-C 3.53Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.9Å; L22-L25 VanDerWaalsContact O-N 3.08Å; L25-M28 HydrophobicContact CB-CE 4.48Å; L25-M28 HydrophobicContact CD1-CE 4.04Å; L25-M28 PolarHBondContact O-N 3.13Å; L25-N29 PolarHBondContact O-N 2.86Å; L25-N29 PolarHBondContact O-ND2 3.25Å; L25-N29 VanDerWaalsContact O-ND2 3.1Å; L25-T40 HydrophobicContact CD1-CG2 4.27Å; L25-V43 HydrophobicContact CB-CG1 4.19Å; L25-T44 HydrophobicContact CD1-CG2 4.1Å; L25-T44 HydrophobicContact CD2-CG2 4.39Å; L25-I47 HydrophobicContact CB-CD1 4.41Å; L25-I47 HydrophobicContact CD2-CD1 3.85Å; L25-V71 HydrophobicContact CB-CG1 4.16Å; L25-V71 HydrophobicContact CD2-CG1 4.23Å; L25-V71 HydrophobicContact CG-CG1 4.12Å; L25-S75 WeakPolarHBondContact CD2-OG 3.23Å; L25-S75 VanDerWaalsContact CG-OG 3.25Å; L25-S75 WeakPolarHBondContact CG-OG 3.48Å
26	E	82.8	Confident	74.3	Confident	69 Å²	69	78.2 Å²	78.2	32%	0.322	40%	0.4	S	S	.	.	H	α-helix	trans	-57	-51.6	175.2	-168.8	166.1	-127.8	0	0	111.1	L22 M28 N29 E30 S67 V71	L22-E26 VanDerWaalsContact O-CB 3.32Å; L22-E26 WeakPolarHBondContact O-CB 3.21Å; L22-E26 PolarHBondContact O-N 3.03Å; E26-M28 PolarHBondContact O-N 2.74Å; E26-N29 WeakPolarHBondContact O-CB 3.47Å; E26-N29 PolarHBondContact O-N 2.88Å; E26-N29 VanDerWaalsContact O-N 3.08Å; E26-E30 PolarHBondContact O-N 3.31Å; E26-S67 PolarHBondContact OE1-OG 3.46Å; E26-V71 HydrophobicContact CB-CG1 3.95Å; E26-V71 HydrophobicContact CB-CG2 3.87Å; E26-V71 HydrophobicContact CG-CG2 3.76Å; E26-V71 WeakPolarHBondContact OE1-CG2 3.11Å
27	K	81.1	Confident	74.4	Confident	119 Å²	119	80 Å²	80	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-38.9	177	-68.5	174.4	-178.5	-174.9	0	113.4	C23 N29 E30 E31	C23-K27 WeakPolarHBondContact O-CG 3.32Å; C23-K27 PolarHBondContact O-N 3.31Å; K27-N29 PolarHBondContact O-N 2.97Å; K27-E30 PolarHBondContact O-N 2.75Å; K27-E30 VanDerWaalsContact O-N 3.15Å; K27-E31 PolarHBondContact O-N 3.43Å
28	M	77	Confident	74.2	Confident	40 Å²	40	78.7 Å²	78.7	20%	0.197	41%	0.406	C	S	.	.	H	α-helix	trans	-66.9	-15.2	176.5	-68.5	-173.5	-58.8	0	0	113.7	Q24 L25 E26 T39 V43	Q24-M28 WeakPolarHBondContact O-CG 3.3Å; Q24-M28 PolarHBondContact O-N 3.21Å; L25-M28 HydrophobicContact CB-CE 4.48Å; L25-M28 HydrophobicContact CD1-CE 4.04Å; L25-M28 PolarHBondContact O-N 3.13Å; E26-M28 PolarHBondContact O-N 2.74Å; M28-T39 HydrophobicContact SD-CG2 3.93Å; M28-V43 HydrophobicContact CE-CB 3.89Å; M28-V43 HydrophobicContact CE-CG1 4Å; M28-V43 HydrophobicContact CE-CG2 3.88Å
29	N	75.7	Confident	74.2	Confident	24 Å²	24	81.4 Å²	81.4	13%	0.128	42%	0.423	C	S	.	.	H	α-helix	trans	-83.6	-33.9	171.4	-66.5	-43.1	0	0	0	112.5	L25 E26 K27 S75	L25-N29 PolarHBondContact O-N 2.86Å; L25-N29 PolarHBondContact O-ND2 3.25Å; L25-N29 VanDerWaalsContact O-ND2 3.1Å; E26-N29 WeakPolarHBondContact O-CB 3.47Å; E26-N29 PolarHBondContact O-N 2.88Å; E26-N29 VanDerWaalsContact O-N 3.08Å; K27-N29 PolarHBondContact O-N 2.97Å; N29-S75 PolarHBondContact ND2-OG 3.08Å; N29-S75 WeakPolarHBondContact OD1-CA 3.22Å
30	E	69.5	Low	74.2	Confident	149 Å²	149	80.2 Å²	80.2	70%	0.696	41%	0.411	S	S	*	.	H	α-helix	trans	-74.7	-31.9	179.9	-62.6	-174.5	145.6	0	0	112.8	E26 K27 V32	E26-E30 PolarHBondContact O-N 3.31Å; K27-E30 PolarHBondContact O-N 2.75Å; K27-E30 VanDerWaalsContact O-N 3.15Å; E30-V32 PolarHBondContact O-N 2.73Å
31	E	62.9	Low	74.2	Confident	134 Å²	134	78.1 Å²	78.1	63%	0.626	40%	0.396	S	S	*	.			trans	-78.4	90.7	-178.9	-70.2	-176	-170.9	0	0	112.4	K27 L33	K27-E31 PolarHBondContact O-N 3.43Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 3.46Å
32	V	53.3	Low	74.2	Confident	121 Å²	121	81.5 Å²	81.5	73%	0.733	41%	0.414	S	S	*	.			trans	-67.3	-26.1	-174.7	179	0	0	0	0	114.3	E30	E30-V32 PolarHBondContact O-N 2.73Å
33	L	53.6	Low	74.3	Confident	166 Å²	166	81.4 Å²	81.4	87%	0.869	41%	0.414	S	S	*	.	S	Bend	trans	-86	-35.5	-157.5	-142.5	76.2	0	0	0	115.9	E31	E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 3.46Å
34	V	54.1	Low	74.5	Confident	128 Å²	128	79 Å²	79	78%	0.776	40%	0.398	S	S	*	.			trans	-146.2	101.3	172.3	-176.5	0	0	0	0	108.9	D36	V34-D36 PolarHBondContact O-N 2.85Å
35	R	59.8	Low	74.7	Confident	90 Å²	90	76.3 Å²	76.3	34%	0.34	39%	0.392	S	S	.	.			trans	-83	113	173.2	-69.5	-174.2	179	167	-0.6	110.4	V37 N78	R35-V37 PolarHBondContact O-N 2.84Å; R35-N78 PolarHBondContact NH1-O 2.85Å; R35-N78 PolarHBondContact NH2-OD1 3.47Å
36	D	70.1	Confident	74.9	Confident	86 Å²	86	81 Å²	81	46%	0.46	41%	0.412	S	S	.	.			trans	-70.7	95.2	165.6	-178.3	-5.9	0	0	0	109.5	V34 E38 T39 T40	V34-D36 PolarHBondContact O-N 2.85Å; D36-E38 PolarHBondContact O-N 2.98Å; D36-E38 PolarHBondContact OD1-N 3.33Å; D36-T39 VanDerWaalsContact CG-CB 3.48Å; D36-T39 PolarHBondContact OD1-N 2.95Å; D36-T39 WeakPolarHBondContact OD2-CB 3.38Å; D36-T39 PolarHBondContact OD2-OG1 2.7Å; D36-T40 WeakPolarHBondContact O-CB 3.46Å; D36-T40 PolarHBondContact O-N 3.49Å; D36-T40 PolarHBondContact O-OG1 2.99Å
37	V	73.8	Confident	75.1	Confident	60 Å²	60	77.7 Å²	77.7	36%	0.364	40%	0.397	S	S	.	.	H	α-helix	trans	-59.7	-35	178.2	179	0	0	0	0	111.3	R35 T40 R41 D81	R35-V37 PolarHBondContact O-N 2.84Å; V37-T40 PolarHBondContact O-N 3.25Å; V37-R41 HydrophobicContact CG1-CG 4.49Å; V37-R41 VanDerWaalsContact O-CG 3.26Å; V37-R41 WeakPolarHBondContact O-CG 3.29Å; V37-R41 PolarHBondContact O-N 3.34Å; V37-D81 HydrophobicContact CG1-CB 3.64Å
38	E	78.2	Confident	75.5	Confident	115 Å²	115	73 Å²	73	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-77.5	-39.9	-175.4	-161.2	59.9	-154.4	0	0	111.5	D36 T40 R41 L42	D36-E38 PolarHBondContact O-N 2.98Å; D36-E38 PolarHBondContact OD1-N 3.33Å; E38-T40 VanDerWaalsContact C-N 3.3Å; E38-T40 PolarHBondContact O-N 2.66Å; E38-R41 PolarHBondContact O-N 2.84Å; E38-R41 VanDerWaalsContact OE2-CD 3.25Å; E38-R41 WeakPolarHBondContact OE2-CD 3.48Å; E38-R41 IonicContact OE2-CZ 3.88Å; E38-R41 IonicContact OE2-NE 2.68Å; E38-R41 IonicContact OE2-NH1 3.97Å; E38-R41 PolarHBondContact OE2-NH1 3.47Å; E38-L42 WeakPolarHBondContact O-CB 3.28Å; E38-L42 PolarHBondContact O-N 2.83Å
39	T	80.6	Confident	76	Confident	58 Å²	58	76.7 Å²	76.7	36%	0.356	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-36.9	168.2	-68.2	0	0	0	0	111.5	M28 D36 L42 V43	M28-T39 HydrophobicContact SD-CG2 3.93Å; D36-T39 VanDerWaalsContact CG-CB 3.48Å; D36-T39 PolarHBondContact OD1-N 2.95Å; D36-T39 WeakPolarHBondContact OD2-CB 3.38Å; D36-T39 PolarHBondContact OD2-OG1 2.7Å; T39-L42 PolarHBondContact O-N 2.68Å; T39-V43 HydrophobicContact CG2-CG2 4.35Å; T39-V43 WeakPolarHBondContact O-CG2 3.41Å; T39-V43 PolarHBondContact O-N 3.17Å
40	T	81.3	Confident	76.5	Confident	20 Å²	20	76.4 Å²	76.4	12%	0.123	39%	0.393	C	S	.	.	H	α-helix	trans	-65.7	-42.9	176.4	-51.6	0	0	0	0	111.9	L25 D36 V37 E38 L42 V43 T44 T84	L25-T40 HydrophobicContact CD1-CG2 4.27Å; D36-T40 WeakPolarHBondContact O-CB 3.46Å; D36-T40 PolarHBondContact O-N 3.49Å; D36-T40 PolarHBondContact O-OG1 2.99Å; V37-T40 PolarHBondContact O-N 3.25Å; E38-T40 VanDerWaalsContact C-N 3.3Å; E38-T40 PolarHBondContact O-N 2.66Å; T40-L42 PolarHBondContact O-N 2.92Å; T40-V43 PolarHBondContact O-N 3.42Å; T40-T44 WeakPolarHBondContact O-CB 3.26Å; T40-T44 WeakPolarHBondContact O-CG2 3.49Å; T40-T44 PolarHBondContact O-N 2.97Å; T40-T44 PolarHBondContact O-OG1 2.9Å; T40-T84 HydrophobicContact CG2-CG2 3.71Å
41	R	84.5	Confident	77.3	Confident	77 Å²	77	69.8 Å²	69.8	29%	0.291	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-45.9	169.9	-73.5	165.6	177.7	175.5	-2.7	111.5	V37 E38 T44 A45 D81 Q83 T84 N87	V37-R41 HydrophobicContact CG1-CG 4.49Å; V37-R41 VanDerWaalsContact O-CG 3.26Å; V37-R41 WeakPolarHBondContact O-CG 3.29Å; V37-R41 PolarHBondContact O-N 3.34Å; E38-R41 PolarHBondContact O-N 2.84Å; E38-R41 VanDerWaalsContact OE2-CD 3.25Å; E38-R41 WeakPolarHBondContact OE2-CD 3.48Å; E38-R41 IonicContact OE2-CZ 3.88Å; E38-R41 IonicContact OE2-NE 2.68Å; E38-R41 IonicContact OE2-NH1 3.97Å; E38-R41 PolarHBondContact OE2-NH1 3.47Å; R41-T44 WeakPolarHBondContact CA-OG1 3.46Å; R41-T44 PolarHBondContact O-N 3.07Å; R41-T44 PolarHBondContact O-OG1 2.98Å; R41-A45 VanDerWaalsContact O-CB 3.26Å; R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 3.05Å; R41-D81 WeakPolarHBondContact CG-OD2 3.12Å; R41-D81 IonicContact CZ-OD1 2.82Å; R41-D81 IonicContact CZ-OD2 2.72Å; R41-D81 IonicContact NE-OD1 3.65Å; R41-D81 PolarHBondContact NE-OD1 3.14Å; R41-D81 IonicContact NE-OD2 3.85Å; R41-D81 PolarHBondContact NE-OD2 3.06Å; R41-D81 IonicContact NH2-OD1 3.67Å; R41-D81 PolarHBondContact NH2-OD1 3.11Å; R41-D81 IonicContact NH2-OD2 3.63Å; R41-Q83 HydrophobicContact CG-CB 4.4Å; R41-Q83 HydrophobicContact CG-CG 4.41Å; R41-T84 VanDerWaalsContact CG-OG1 3.32Å; R41-T84 WeakPolarHBondContact CG-OG1 3.27Å; R41-N87 PolarHBondContact O-ND2 3.38Å
42	L	85.1	Confident	78.3	Confident	93 Å²	93	68.7 Å²	68.7	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-42	-178.9	-168.7	79.1	0	0	0	112.5	E38 T39 T40 K46	E38-L42 WeakPolarHBondContact O-CB 3.28Å; E38-L42 PolarHBondContact O-N 2.83Å; T39-L42 PolarHBondContact O-N 2.68Å; T40-L42 PolarHBondContact O-N 2.92Å; L42-K46 HydrophobicContact CG-CD 4.43Å; L42-K46 WeakPolarHBondContact O-CB 3.42Å; L42-K46 WeakPolarHBondContact O-CD 3.29Å; L42-K46 VanDerWaalsContact O-CG 3.25Å; L42-K46 WeakPolarHBondContact O-CG 3.32Å; L42-K46 PolarHBondContact O-N 3.4Å; L42-K46 VanDerWaalsContact O-N 3.08Å
43	V	85.9	Confident	79.8	Confident	8 Å²	8	66.8 Å²	66.8	5%	0.048	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-45.9	177.6	169.7	0	0	0	0	110.8	L21 L25 M28 T39 T40 A45 K46 I47	L21-V43 HydrophobicContact CD2-CG1 4.21Å; L25-V43 HydrophobicContact CB-CG1 4.19Å; M28-V43 HydrophobicContact CE-CB 3.89Å; M28-V43 HydrophobicContact CE-CG1 4Å; M28-V43 HydrophobicContact CE-CG2 3.88Å; T39-V43 HydrophobicContact CG2-CG2 4.35Å; T39-V43 WeakPolarHBondContact O-CG2 3.41Å; T39-V43 PolarHBondContact O-N 3.17Å; T40-V43 PolarHBondContact O-N 3.42Å; V43-A45 PolarHBondContact O-N 3.04Å; V43-K46 PolarHBondContact O-N 2.97Å; V43-I47 HydrophobicContact CG1-CD1 3.88Å; V43-I47 WeakPolarHBondContact O-CG1 3.4Å; V43-I47 PolarHBondContact O-N 2.82Å
44	T	87.6	Confident	81.2	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-39.9	176.9	52.8	0	0	0	0	112.2	L25 T40 R41 K46 I47 L48 T84 N87 I88 I91	L25-T44 HydrophobicContact CD1-CG2 4.1Å; L25-T44 HydrophobicContact CD2-CG2 4.39Å; T40-T44 WeakPolarHBondContact O-CB 3.26Å; T40-T44 WeakPolarHBondContact O-CG2 3.49Å; T40-T44 PolarHBondContact O-N 2.97Å; T40-T44 PolarHBondContact O-OG1 2.9Å; R41-T44 WeakPolarHBondContact CA-OG1 3.46Å; R41-T44 PolarHBondContact O-N 3.07Å; R41-T44 PolarHBondContact O-OG1 2.98Å; T44-K46 PolarHBondContact O-N 2.92Å; T44-I47 PolarHBondContact O-N 3.09Å; T44-L48 WeakPolarHBondContact O-CB 3.35Å; T44-L48 PolarHBondContact O-N 3.16Å; T44-T84 HydrophobicContact CG2-CG2 4.24Å; T44-N87 WeakPolarHBondContact OG1-CB 3.43Å; T44-N87 PolarHBondContact OG1-ND2 2.8Å; T44-I88 HydrophobicContact CG2-CD1 4.12Å; T44-I88 HydrophobicContact CG2-CG1 3.75Å; T44-I91 WeakPolarHBondContact O-CD1 3.46Å
45	A	87.6	Confident	82.3	Confident	43 Å²	43	60.9 Å²	60.9	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-38.4	173.3	0	0	0	0	0	112.9	R41 V43 L48 H49	R41-A45 VanDerWaalsContact O-CB 3.26Å; R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 3.05Å; V43-A45 PolarHBondContact O-N 3.04Å; A45-L48 PolarHBondContact O-N 3.48Å; A45-H49 WeakPolarHBondContact O-CB 3.47Å; A45-H49 PolarHBondContact O-N 3.48Å
46	K	89.1	Confident	83.3	Confident	100 Å²	100	66.6 Å²	66.6	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174.4	-75.2	166.5	-179.8	171.1	0	112.5	L21 L42 V43 T44 L50	L21-K46 HydrophobicContact CD1-CB 4.01Å; L21-K46 HydrophobicContact CD2-CB 4.21Å; L21-K46 HydrophobicContact CD2-CD 4.3Å; L42-K46 HydrophobicContact CG-CD 4.43Å; L42-K46 WeakPolarHBondContact O-CB 3.42Å; L42-K46 WeakPolarHBondContact O-CD 3.29Å; L42-K46 VanDerWaalsContact O-CG 3.25Å; L42-K46 WeakPolarHBondContact O-CG 3.32Å; L42-K46 PolarHBondContact O-N 3.4Å; L42-K46 VanDerWaalsContact O-N 3.08Å; V43-K46 PolarHBondContact O-N 2.97Å; T44-K46 PolarHBondContact O-N 2.92Å; K46-L50 WeakPolarHBondContact O-CG 3.48Å; K46-L50 PolarHBondContact O-N 2.54Å
47	I	87.1	Confident	83.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-45.3	175	-67.5	166.2	0	0	0	110.2	L21 L22 L25 V43 T44 H49 L50 I51 I91	L21-I47 HydrophobicContact CB-CD1 3.98Å; L21-I47 HydrophobicContact CB-CG1 3.58Å; L21-I47 HydrophobicContact CD1-CG1 4.2Å; L21-I47 HydrophobicContact CG-CG1 4.43Å; L22-I47 HydrophobicContact CD2-CD1 4.46Å; L25-I47 HydrophobicContact CB-CD1 4.41Å; L25-I47 HydrophobicContact CD2-CD1 3.85Å; V43-I47 HydrophobicContact CG1-CD1 3.88Å; V43-I47 WeakPolarHBondContact O-CG1 3.4Å; V43-I47 PolarHBondContact O-N 2.82Å; T44-I47 PolarHBondContact O-N 3.09Å; I47-H49 PolarHBondContact O-N 2.76Å; I47-L50 PolarHBondContact O-N 3.16Å; I47-I51 HydrophobicContact CG2-CD1 3.65Å; I47-I51 HydrophobicContact CG2-CG1 4.47Å; I47-I51 WeakPolarHBondContact O-CG1 3.31Å; I47-I51 PolarHBondContact O-N 3.45Å; I47-I91 HydrophobicContact CB-CD1 3.93Å; I47-I91 HydrophobicContact CG2-CD1 3.62Å; I47-I91 HydrophobicContact CG2-CG1 4.15Å
48	L	87.9	Confident	84.1	Confident	22 Å²	22	60.1 Å²	60.1	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-55.9	-51.9	175.4	178.5	57.5	0	0	0	111.7	T44 A45 L50 I51 Q52 I91	T44-L48 WeakPolarHBondContact O-CB 3.35Å; T44-L48 PolarHBondContact O-N 3.16Å; A45-L48 PolarHBondContact O-N 3.48Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.96Å; L48-I51 PolarHBondContact O-N 2.72Å; L48-Q52 HydrophobicContact CD1-CG 4.08Å; L48-Q52 WeakPolarHBondContact O-CB 3.19Å; L48-Q52 WeakPolarHBondContact O-CG 3.38Å; L48-Q52 PolarHBondContact O-N 3.28Å; L48-I91 HydrophobicContact CB-CD1 4.3Å; L48-I91 HydrophobicContact CB-CG1 3.76Å; L48-I91 HydrophobicContact CD1-CG1 4.03Å; L48-I91 HydrophobicContact CG-CG1 4.49Å
49	H	87.9	Confident	84.1	Confident	116 Å²	116	59.9 Å²	59.9	54%	0.537	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-39.7	-179.9	-178.7	67.9	0	0	0	112.8	A45 I47 T53	A45-H49 WeakPolarHBondContact O-CB 3.47Å; A45-H49 PolarHBondContact O-N 3.48Å; I47-H49 PolarHBondContact O-N 2.76Å; H49-T53 WeakPolarHBondContact O-CB 3.41Å; H49-T53 WeakPolarHBondContact O-CG2 3.32Å; H49-T53 PolarHBondContact O-N 2.82Å; H49-T53 PolarHBondContact O-OG1 2.86Å
50	L	86.7	Confident	84.1	Confident	19 Å²	19	60 Å²	60	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-41.3	174.6	-75.4	175.3	0	0	0	112.4	K17 L21 K46 I47 L48 T53 Q54	K17-L50 HydrophobicContact CB-CD1 3.97Å; L21-L50 HydrophobicContact CD1-CD1 3.47Å; L21-L50 VanDerWaalsContact CD1-CD1 3.47Å; K46-L50 WeakPolarHBondContact O-CG 3.48Å; K46-L50 PolarHBondContact O-N 2.54Å; I47-L50 PolarHBondContact O-N 3.16Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.96Å; L50-T53 PolarHBondContact O-N 2.76Å; L50-T53 PolarHBondContact O-OG1 2.98Å; L50-Q54 WeakPolarHBondContact O-CA 3.43Å; L50-Q54 WeakPolarHBondContact O-CB 3.35Å; L50-Q54 PolarHBondContact O-N 2.65Å
51	I	85.7	Confident	84.1	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-39.1	-179.8	-69.9	168.8	0	0	0	110.9	I47 L48 I91 E94 L95	I47-I51 HydrophobicContact CG2-CD1 3.65Å; I47-I51 HydrophobicContact CG2-CG1 4.47Å; I47-I51 WeakPolarHBondContact O-CG1 3.31Å; I47-I51 PolarHBondContact O-N 3.45Å; L48-I51 PolarHBondContact O-N 2.72Å; I51-I91 HydrophobicContact CD1-CG1 4.5Å; I51-I91 HydrophobicContact CD1-CG2 3.68Å; I51-E94 HydrophobicContact CG2-CB 4.05Å; I51-E94 HydrophobicContact CG2-CG 3.84Å; I51-L95 HydrophobicContact CD1-CD1 4.27Å; I51-L95 HydrophobicContact CD1-CD2 4.03Å; I51-L95 HydrophobicContact CD1-CG 4.16Å; I51-L95 HydrophobicContact CG1-CD2 4.43Å; I51-L95 HydrophobicContact CG2-CD2 3.87Å; I51-L95 HydrophobicContact CG2-CG 4.13Å
52	Q	84.6	Confident	83.9	Confident	110 Å²	110	56.3 Å²	56.3	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-68.3	-28.8	175	-72.3	175.8	-30.2	0	0	113.7	L48 E94	L48-Q52 HydrophobicContact CD1-CG 4.08Å; L48-Q52 WeakPolarHBondContact O-CB 3.19Å; L48-Q52 WeakPolarHBondContact O-CG 3.38Å; L48-Q52 PolarHBondContact O-N 3.28Å; Q52-E94 HydrophobicContact CG-CG 4.12Å
53	T	83.7	Confident	83.6	Confident	81 Å²	81	54.5 Å²	54.5	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-100.1	-18	-178	56	0	0	0	0	114.4	H49 L50	H49-T53 WeakPolarHBondContact O-CB 3.41Å; H49-T53 WeakPolarHBondContact O-CG2 3.32Å; H49-T53 PolarHBondContact O-N 2.82Å; H49-T53 PolarHBondContact O-OG1 2.86Å; L50-T53 PolarHBondContact O-N 2.76Å; L50-T53 PolarHBondContact O-OG1 2.98Å
54	Q	83.6	Confident	82.6	Confident	87 Å²	87	64.5 Å²	64.5	41%	0.407	31%	0.308	S	S	.	.			trans	-138.5	93.2	-171.6	-59.6	176.2	36.3	0	0	111.3	L50 R56 S57 G58	L50-Q54 WeakPolarHBondContact O-CA 3.43Å; L50-Q54 WeakPolarHBondContact O-CB 3.35Å; L50-Q54 PolarHBondContact O-N 2.65Å; Q54-R56 PolarHBondContact O-N 3.32Å; Q54-S57 WeakPolarHBondContact O-CB 3.44Å; Q54-S57 PolarHBondContact O-N 2.99Å; Q54-G58 PolarHBondContact O-N 3.47Å
55	E	77.7	Confident	81.6	Confident	83 Å²	83	68.4 Å²	68.4	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-24	-179.2	-157.5	-101.6	146.9	0	0	113.1	G58 K59 V98 R103	E55-G58 PolarHBondContact O-N 3.06Å; E55-K59 VanDerWaalsContact CD-NZ 3.33Å; E55-K59 PolarHBondContact O-N 2.86Å; E55-K59 WeakPolarHBondContact OE1-CE 3.41Å; E55-K59 IonicContact OE1-NZ 3.75Å; E55-K59 PolarHBondContact OE1-NZ 2.84Å; E55-K59 WeakPolarHBondContact OE2-CE 3.43Å; E55-K59 IonicContact OE2-NZ 2.73Å; E55-K59 PolarHBondContact OE2-NZ 2.81Å; E55-V98 HydrophobicContact CG-CG1 3.92Å; E55-R103 IonicContact OE1-CZ 3.52Å; E55-R103 IonicContact OE1-NH1 3.65Å; E55-R103 IonicContact OE1-NH2 3.46Å; E55-R103 PolarHBondContact OE1-NH2 3.12Å
56	R	80.3	Confident	81.3	Confident	211 Å²	211	67.9 Å²	67.9	80%	0.796	34%	0.342	S	S	*	.	H	α-helix	trans	-60.7	-41.5	169.2	-178.2	176.9	177.3	168.7	1	112.5	Q54 K59 E60	Q54-R56 PolarHBondContact O-N 3.32Å; R56-K59 PolarHBondContact O-N 3.26Å; R56-E60 PolarHBondContact O-N 2.84Å
57	S	80.7	Confident	80.9	Confident	6 Å²	6	65.6 Å²	65.6	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-43.7	176.6	-64.4	0	0	0	0	110.7	Q54 K59 E60 V61	Q54-S57 WeakPolarHBondContact O-CB 3.44Å; Q54-S57 PolarHBondContact O-N 2.99Å; S57-K59 VanDerWaalsContact C-N 3.32Å; S57-K59 PolarHBondContact O-N 3.32Å; S57-E60 WeakPolarHBondContact O-CB 3.48Å; S57-E60 PolarHBondContact O-N 2.85Å; S57-E60 VanDerWaalsContact O-N 3.1Å; S57-V61 WeakPolarHBondContact O-CG2 3.48Å; S57-V61 PolarHBondContact O-N 2.91Å; S57-V61 VanDerWaalsContact O-N 3.1Å
58	G	79.8	Confident	80.8	Confident	3 Å²	3	65.6 Å²	65.6	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-38.7	174.3	0	0	0	0	0	113.6	Q54 E55 M62	Q54-G58 PolarHBondContact O-N 3.47Å; E55-G58 PolarHBondContact O-N 3.06Å; G58-M62 VanDerWaalsContact O-CG 3.31Å; G58-M62 WeakPolarHBondContact O-CG 3.48Å; G58-M62 PolarHBondContact O-N 2.86Å
59	K	79	Confident	80.8	Confident	110 Å²	110	64.7 Å²	64.7	48%	0.478	33%	0.333	S	S	.	.	H	α-helix	trans	-65	-34.9	173.3	-78.1	165.6	165.3	157.2	0	113.2	E55 R56 S57 S63	E55-K59 VanDerWaalsContact CD-NZ 3.33Å; E55-K59 PolarHBondContact O-N 2.86Å; E55-K59 WeakPolarHBondContact OE1-CE 3.41Å; E55-K59 IonicContact OE1-NZ 3.75Å; E55-K59 PolarHBondContact OE1-NZ 2.84Å; E55-K59 WeakPolarHBondContact OE2-CE 3.43Å; E55-K59 IonicContact OE2-NZ 2.73Å; E55-K59 PolarHBondContact OE2-NZ 2.81Å; R56-K59 PolarHBondContact O-N 3.26Å; S57-K59 VanDerWaalsContact C-N 3.32Å; S57-K59 PolarHBondContact O-N 3.32Å; K59-S63 PolarHBondContact O-N 2.81Å
60	E	81.3	Confident	80.7	Confident	62 Å²	62	63.3 Å²	63.3	29%	0.29	33%	0.327	S	S	.	.	H	α-helix	trans	-70	-45.2	179.3	-170.1	173.6	-170	0	0	112.2	S16 V18 R56 S57 M62 S63 S66	S16-E60 WeakPolarHBondContact CB-OE1 3.44Å; S16-E60 WeakPolarHBondContact CB-OE2 3.39Å; S16-E60 PolarHBondContact OG-OE1 2.89Å; S16-E60 VanDerWaalsContact OG-OE1 3.06Å; S16-E60 PolarHBondContact OG-OE2 2.89Å; V18-E60 HydrophobicContact CG1-CB 4.5Å; V18-E60 WeakPolarHBondContact CG1-OE2 3.41Å; R56-E60 PolarHBondContact O-N 2.84Å; S57-E60 WeakPolarHBondContact O-CB 3.48Å; S57-E60 PolarHBondContact O-N 2.85Å; S57-E60 VanDerWaalsContact O-N 3.1Å; E60-M62 PolarHBondContact O-N 2.84Å; E60-S63 WeakPolarHBondContact O-CB 3.35Å; E60-S63 PolarHBondContact O-N 2.96Å; E60-S63 PolarHBondContact O-OG 3.07Å; E60-S66 WeakPolarHBondContact O-CB 3.3Å; E60-S66 PolarHBondContact O-OG 2.77Å
61	V	81.2	Confident	80.7	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-58.3	-36.6	174.3	-178.9	0	0	0	0	112.1	V18 L22 S57 I72 L95	V18-V61 HydrophobicContact CG2-CG2 3.86Å; L22-V61 HydrophobicContact CD1-CG2 3.86Å; S57-V61 WeakPolarHBondContact O-CG2 3.48Å; S57-V61 PolarHBondContact O-N 2.91Å; S57-V61 VanDerWaalsContact O-N 3.1Å; V61-I72 HydrophobicContact CG1-CD1 3.63Å; V61-L95 HydrophobicContact CB-CD2 4.32Å; V61-L95 HydrophobicContact CG1-CD1 4.01Å
62	M	79.2	Confident	80.9	Confident	17 Å²	17	62.2 Å²	62.2	8%	0.084	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.3	-175.8	-59.9	-57.4	-73.2	0	0	114.3	G58 E60 M69 L95 L96 R103 V106	G58-M62 VanDerWaalsContact O-CG 3.31Å; G58-M62 WeakPolarHBondContact O-CG 3.48Å; G58-M62 PolarHBondContact O-N 2.86Å; E60-M62 PolarHBondContact O-N 2.84Å; M62-M69 HydrophobicContact CE-CE 3.85Å; M62-M69 HydrophobicContact SD-CE 3.31Å; M62-M69 WeakPolarHBondContact SD-CE 3.34Å; M62-L95 HydrophobicContact CG-CD2 4.2Å; M62-L95 HydrophobicContact SD-CD1 4.43Å; M62-L96 HydrophobicContact CE-CD2 4.46Å; M62-R103 HydrophobicContact CE-CB 3.93Å; M62-R103 WeakPolarHBondContact CE-O 3.45Å; M62-V106 HydrophobicContact CE-CB 4.12Å; M62-V106 HydrophobicContact CE-CG1 4.25Å
63	S	79.8	Confident	81.1	Confident	55 Å²	55	57.4 Å²	57.4	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-78.4	150.5	-176.3	67.4	0	0	0	0	112.9	K59 E60 G65 S66	K59-S63 PolarHBondContact O-N 2.81Å; E60-S63 WeakPolarHBondContact O-CB 3.35Å; E60-S63 PolarHBondContact O-N 2.96Å; E60-S63 PolarHBondContact O-OG 3.07Å; S63-G65 PolarHBondContact O-N 3.28Å; S63-S66 PolarHBondContact O-N 2.78Å; S63-S66 VanDerWaalsContact O-N 3.14Å; S63-S66 WeakPolarHBondContact OG-CB 3.35Å
64	K	64	Low	81.2	Confident	219 Å²	219	55.6 Å²	55.6	95%	0.952	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	2.1	-173.3	-83.4	-168.8	174.3	-174.7	0	116.2
65	G	67.6	Low	81.3	Confident	81 Å²	81	51.7 Å²	51.7	84%	0.835	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.4	15.5	176.6	0	0	0	0	0	114.2	S63	S63-G65 PolarHBondContact O-N 3.28Å
66	S	79.9	Confident	81.8	Confident	33 Å²	33	47.7 Å²	47.7	23%	0.231	25%	0.254	C	S	.	.			trans	-100	133.5	179.4	-179	0	0	0	0	111.3	E60 S63 G68	E60-S66 WeakPolarHBondContact O-CB 3.3Å; E60-S66 PolarHBondContact O-OG 2.77Å; S63-S66 PolarHBondContact O-N 2.78Å; S63-S66 VanDerWaalsContact O-N 3.14Å; S63-S66 WeakPolarHBondContact OG-CB 3.35Å; S66-G68 PolarHBondContact O-N 3.08Å; S66-G68 PolarHBondContact OG-N 3.35Å; S66-G68 VanDerWaalsContact OG-N 3.09Å
67	S	81.5	Confident	82	Confident	51 Å²	51	42.2 Å²	42.2	36%	0.357	24%	0.237	S	C	.	.	S	Bend	trans	-72.9	-7.6	167.4	61.8	0	0	0	0	112.5	E26 M69 E70 V71	E26-S67 PolarHBondContact OE1-OG 3.46Å; S67-M69 VanDerWaalsContact C-N 3.3Å; S67-M69 PolarHBondContact O-N 2.99Å; S67-M69 VanDerWaalsContact O-N 3.1Å; S67-E70 CarbonylContact O-C 3.59Å; S67-E70 WeakPolarHBondContact O-CA 3.19Å; S67-E70 WeakPolarHBondContact O-CB 3.22Å; S67-E70 PolarHBondContact O-N 2.98Å; S67-V71 PolarHBondContact O-N 3.36Å
68	G	84.4	Confident	82.1	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-54.7	-37.7	-168.8	0	0	0	0	0	115.3	S66 I72	S66-G68 PolarHBondContact O-N 3.08Å; S66-G68 PolarHBondContact OG-N 3.35Å; S66-G68 VanDerWaalsContact OG-N 3.09Å; G68-I72 WeakPolarHBondContact O-CB 3.42Å; G68-I72 WeakPolarHBondContact O-CD1 3.42Å; G68-I72 WeakPolarHBondContact O-CG1 3.5Å; G68-I72 PolarHBondContact O-N 3.44Å
69	M	88.3	Confident	82.1	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-71.2	-35.9	173.4	177.6	52.1	67.2	0	0	112.6	M62 S67 I72 L73 L92 L95 F107 K110	M62-M69 HydrophobicContact CE-CE 3.85Å; M62-M69 HydrophobicContact SD-CE 3.31Å; M62-M69 WeakPolarHBondContact SD-CE 3.34Å; S67-M69 VanDerWaalsContact C-N 3.3Å; S67-M69 PolarHBondContact O-N 2.99Å; S67-M69 VanDerWaalsContact O-N 3.1Å; M69-I72 PolarHBondContact O-N 2.79Å; M69-L73 HydrophobicContact CG-CD1 4.12Å; M69-L73 HydrophobicContact CG-CG 4.49Å; M69-L73 WeakPolarHBondContact O-CB 3.32Å; M69-L73 VanDerWaalsContact O-CG 3.29Å; M69-L73 WeakPolarHBondContact O-CG 3.1Å; M69-L73 PolarHBondContact O-N 3.41Å; M69-L73 HydrophobicContact SD-CD1 4Å; M69-L73 HydrophobicContact SD-CD2 4.44Å; M69-L73 HydrophobicContact SD-CG 3.86Å; M69-L92 HydrophobicContact CE-CD2 3.77Å; M69-L92 HydrophobicContact SD-CD2 3.95Å; M69-L95 HydrophobicContact CE-CD1 4.15Å; M69-F107 HydrophobicContact CE-CD2 3.95Å; M69-F107 HydrophobicContact SD-CD2 3.68Å; M69-F107 HydrophobicContact SD-CE2 4.3Å; M69-K110 HydrophobicContact CG-CB 4.3Å; M69-K110 HydrophobicContact CG-CG 4.36Å
70	E	86.2	Confident	82	Confident	87 Å²	87	52.2 Å²	52.2	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-68.5	-40	175.9	-67.5	168.4	138.7	0	0	111.2	S67 L73 S74 K110	S67-E70 CarbonylContact O-C 3.59Å; S67-E70 WeakPolarHBondContact O-CA 3.19Å; S67-E70 WeakPolarHBondContact O-CB 3.22Å; S67-E70 PolarHBondContact O-N 2.98Å; E70-L73 PolarHBondContact O-N 3.38Å; E70-S74 VanDerWaalsContact O-CB 3.27Å; E70-S74 WeakPolarHBondContact O-CB 3.27Å; E70-S74 PolarHBondContact O-N 2.89Å; E70-K110 HydrophobicContact CG-CD 3.77Å; E70-K110 HydrophobicContact CG-CG 4.31Å; E70-K110 WeakPolarHBondContact OE1-CD 3.46Å; E70-K110 WeakPolarHBondContact OE1-CE 3.11Å; E70-K110 IonicContact OE1-NZ 3.69Å; E70-K110 PolarHBondContact OE1-NZ 3.4Å; E70-K110 IonicContact OE2-NZ 3.45Å; E70-K110 PolarHBondContact OE2-NZ 2.66Å
71	V	87.3	Confident	82.1	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.036	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-47.3	171.4	175.8	0	0	0	0	110.9	L22 L25 E26 S67 L73 S74 S75	L22-V71 HydrophobicContact CD2-CB 4.39Å; L22-V71 HydrophobicContact CD2-CG1 4.19Å; L25-V71 HydrophobicContact CB-CG1 4.16Å; L25-V71 HydrophobicContact CD2-CG1 4.23Å; L25-V71 HydrophobicContact CG-CG1 4.12Å; E26-V71 HydrophobicContact CB-CG1 3.95Å; E26-V71 HydrophobicContact CB-CG2 3.87Å; E26-V71 HydrophobicContact CG-CG2 3.76Å; E26-V71 WeakPolarHBondContact OE1-CG2 3.11Å; S67-V71 PolarHBondContact O-N 3.36Å; V71-L73 PolarHBondContact O-N 3.26Å; V71-S74 PolarHBondContact O-N 3.37Å; V71-S75 WeakPolarHBondContact O-CB 3.45Å; V71-S75 PolarHBondContact O-N 2.65Å; V71-S75 PolarHBondContact O-OG 3.33Å
72	I	88.9	Confident	82.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-42.1	178.5	-73.3	165.8	0	0	0	111.4	L22 V61 G68 M69 S75 L76 I88 I91 L92 L95	L22-I72 HydrophobicContact CD2-CD1 4.13Å; L22-I72 HydrophobicContact CD2-CG1 3.92Å; V61-I72 HydrophobicContact CG1-CD1 3.63Å; G68-I72 WeakPolarHBondContact O-CB 3.42Å; G68-I72 WeakPolarHBondContact O-CD1 3.42Å; G68-I72 WeakPolarHBondContact O-CG1 3.5Å; G68-I72 PolarHBondContact O-N 3.44Å; M69-I72 PolarHBondContact O-N 2.79Å; I72-S75 PolarHBondContact O-N 2.82Å; I72-L76 WeakPolarHBondContact O-CB 3.29Å; I72-L76 PolarHBondContact O-N 3.37Å; I72-I88 HydrophobicContact CG2-CG2 3.95Å; I72-I91 HydrophobicContact CD1-CG2 3.92Å; I72-L92 HydrophobicContact CG2-CD2 3.69Å; I72-L92 HydrophobicContact CG2-CG 4Å; I72-L95 HydrophobicContact CD1-CD1 3.96Å
73	L	88.6	Confident	82.3	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-69	-43.4	177.6	-72.6	174.4	0	0	0	112.6	M69 E70 V71 S75 L76 E77 F107 K110 V115	M69-L73 HydrophobicContact CG-CD1 4.12Å; M69-L73 HydrophobicContact CG-CG 4.49Å; M69-L73 WeakPolarHBondContact O-CB 3.32Å; M69-L73 VanDerWaalsContact O-CG 3.29Å; M69-L73 WeakPolarHBondContact O-CG 3.1Å; M69-L73 PolarHBondContact O-N 3.41Å; M69-L73 HydrophobicContact SD-CD1 4Å; M69-L73 HydrophobicContact SD-CD2 4.44Å; M69-L73 HydrophobicContact SD-CG 3.86Å; E70-L73 PolarHBondContact O-N 3.38Å; V71-L73 PolarHBondContact O-N 3.26Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 3.43Å; L73-L76 WeakPolarHBondContact O-CB 3.25Å; L73-L76 PolarHBondContact O-N 3.32Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L73-E77 PolarHBondContact O-N 2.95Å; L73-F107 HydrophobicContact CD2-CD2 4.46Å; L73-F107 HydrophobicContact CD2-CE2 3.72Å; L73-F107 HydrophobicContact CD2-CZ 4.24Å; L73-K110 HydrophobicContact CD1-CB 4.07Å; L73-K110 WeakPolarHBondContact CD1-O 3.2Å; L73-V115 HydrophobicContact CB-CG2 4.42Å; L73-V115 HydrophobicContact CD2-CB 4.16Å; L73-V115 HydrophobicContact CD2-CG1 4.3Å; L73-V115 HydrophobicContact CD2-CG2 4.07Å
74	S	85.8	Confident	82.6	Confident	44 Å²	44	55 Å²	55	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-41	174.3	179.3	0	0	0	0	111.4	E70 V71 L76 E77 N78	E70-S74 VanDerWaalsContact O-CB 3.27Å; E70-S74 WeakPolarHBondContact O-CB 3.27Å; E70-S74 PolarHBondContact O-N 2.89Å; V71-S74 PolarHBondContact O-N 3.37Å; S74-L76 VanDerWaalsContact C-N 3.28Å; S74-L76 PolarHBondContact O-N 2.94Å; S74-E77 PolarHBondContact O-N 3.13Å; S74-N78 VanDerWaalsContact O-CB 3.24Å; S74-N78 WeakPolarHBondContact O-CB 3.39Å; S74-N78 PolarHBondContact O-N 3.5Å; S74-N78 PolarHBondContact O-ND2 2.81Å
75	S	86.4	Confident	83.7	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.028	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-37.7	173.7	-51.1	0	0	0	0	112.2	L25 N29 V71 I72 L73 S79	L25-S75 WeakPolarHBondContact CD2-OG 3.23Å; L25-S75 VanDerWaalsContact CG-OG 3.25Å; L25-S75 WeakPolarHBondContact CG-OG 3.48Å; N29-S75 PolarHBondContact ND2-OG 3.08Å; N29-S75 WeakPolarHBondContact OD1-CA 3.22Å; V71-S75 WeakPolarHBondContact O-CB 3.45Å; V71-S75 PolarHBondContact O-N 2.65Å; V71-S75 PolarHBondContact O-OG 3.33Å; I72-S75 PolarHBondContact O-N 2.82Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 3.43Å; S75-S79 VanDerWaalsContact O-CB 3.31Å; S75-S79 WeakPolarHBondContact O-CB 3.49Å; S75-S79 PolarHBondContact O-N 2.81Å
76	L	87.5	Confident	84.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.4	-44.9	179.4	-175.1	56.2	0	0	0	112	I72 L73 S74 N78 T85 I88 M89 L92 V115 L116 I119	I72-L76 WeakPolarHBondContact O-CB 3.29Å; I72-L76 PolarHBondContact O-N 3.37Å; L73-L76 WeakPolarHBondContact O-CB 3.25Å; L73-L76 PolarHBondContact O-N 3.32Å; L73-L76 VanDerWaalsContact O-N 3.09Å; S74-L76 VanDerWaalsContact C-N 3.28Å; S74-L76 PolarHBondContact O-N 2.94Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 2.58Å; L76-T85 HydrophobicContact CD1-CG2 3.88Å; L76-I88 HydrophobicContact CB-CG2 3.95Å; L76-I88 HydrophobicContact CD1-CB 4.47Å; L76-I88 HydrophobicContact CD1-CG2 4.09Å; L76-I88 HydrophobicContact CD2-CG2 4.41Å; L76-I88 HydrophobicContact CG-CG2 4.37Å; L76-M89 HydrophobicContact CD1-CG 4.38Å; L76-M89 HydrophobicContact CD1-SD 4.33Å; L76-M89 HydrophobicContact CD2-SD 4.06Å; L76-L92 HydrophobicContact CD2-CD1 3.7Å; L76-V115 HydrophobicContact CB-CG1 4.17Å; L76-V115 HydrophobicContact CD2-CG1 3.82Å; L76-V115 HydrophobicContact CG-CG1 3.91Å; L76-L116 HydrophobicContact CD2-CD2 4.25Å; L76-I119 HydrophobicContact CD1-CG1 4.35Å; L76-I119 HydrophobicContact CG-CG1 4.1Å; L76-I119 WeakPolarHBondContact O-CD1 3.21Å
77	E	84.8	Confident	85	Confident	96 Å²	96	40.8 Å²	40.8	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-35.5	173.3	-73	-168.3	140.9	0	0	112.3	L73 S74 V115 Q118	L73-E77 PolarHBondContact O-N 2.95Å; S74-E77 PolarHBondContact O-N 3.13Å; E77-V115 HydrophobicContact CG-CB 4.22Å; E77-V115 HydrophobicContact CG-CG1 3.59Å; E77-V115 HydrophobicContact CG-CG2 3.83Å; E77-Q118 PolarHBondContact OE1-NE2 3.21Å
78	N	81.9	Confident	85.3	Confident	55 Å²	55	38.5 Å²	38.5	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-82.8	-24.4	-177.3	-85.8	-76.5	0	0	0	114.6	R35 S74 L76 R80	R35-N78 PolarHBondContact NH1-O 2.85Å; R35-N78 PolarHBondContact NH2-OD1 3.47Å; S74-N78 VanDerWaalsContact O-CB 3.24Å; S74-N78 WeakPolarHBondContact O-CB 3.39Å; S74-N78 PolarHBondContact O-N 3.5Å; S74-N78 PolarHBondContact O-ND2 2.81Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 2.58Å; N78-R80 PolarHBondContact O-N 2.8Å
79	S	81.3	Confident	85.5	Confident	23 Å²	23	38.4 Å²	38.4	16%	0.161	19%	0.186	C	C	.	.			trans	-69.4	126.1	-173.3	-179.7	0	0	0	0	112.5	S75 D81 T85	S75-S79 VanDerWaalsContact O-CB 3.31Å; S75-S79 WeakPolarHBondContact O-CB 3.49Å; S75-S79 PolarHBondContact O-N 2.81Å; S79-D81 PolarHBondContact OG-N 3.06Å; S79-D81 PolarHBondContact OG-O 2.96Å; S79-T85 WeakPolarHBondContact CB-OG1 3.38Å; S79-T85 PolarHBondContact OG-OG1 3.04Å
80	R	75.6	Confident	85.6	Confident	251 Å²	251	40 Å²	40	95%	0.947	20%	0.197	S	C	*	.			trans	-106.7	0.6	167.3	-61.2	-173	-176.5	-177.1	1.9	113.1	N78	N78-R80 PolarHBondContact O-N 2.8Å
81	D	84.3	Confident	85.7	Confident	25 Å²	25	35.9 Å²	35.9	13%	0.134	18%	0.178	C	C	.	.			trans	-97.7	123.3	178.7	169.7	50.8	0	0	0	110.3	V37 R41 S79 Q83 T84 T85	V37-D81 HydrophobicContact CG1-CB 3.64Å; R41-D81 WeakPolarHBondContact CG-OD2 3.12Å; R41-D81 IonicContact CZ-OD1 2.82Å; R41-D81 IonicContact CZ-OD2 2.72Å; R41-D81 IonicContact NE-OD1 3.65Å; R41-D81 PolarHBondContact NE-OD1 3.14Å; R41-D81 IonicContact NE-OD2 3.85Å; R41-D81 PolarHBondContact NE-OD2 3.06Å; R41-D81 IonicContact NH2-OD1 3.67Å; R41-D81 PolarHBondContact NH2-OD1 3.11Å; R41-D81 IonicContact NH2-OD2 3.63Å; S79-D81 PolarHBondContact OG-N 3.06Å; S79-D81 PolarHBondContact OG-O 2.96Å; D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 PolarHBondContact O-N 3.27Å; D81-T84 PolarHBondContact O-N 2.85Å; D81-T84 VanDerWaalsContact OD2-CB 3.28Å; D81-T84 WeakPolarHBondContact OD2-CB 3.34Å; D81-T84 PolarHBondContact OD2-N 2.8Å; D81-T84 PolarHBondContact OD2-OG1 2.87Å; D81-T85 WeakPolarHBondContact O-CB 3.33Å; D81-T85 PolarHBondContact O-N 2.84Å; D81-T85 PolarHBondContact O-OG1 3.09Å; D81-T85 VanDerWaalsContact O-OG1 3.06Å
82	V	80.8	Confident	85.8	Confident	70 Å²	70	35.6 Å²	35.6	42%	0.424	18%	0.176	S	C	.	.	H	α-helix	trans	-59.3	-40.1	-176.8	-177.9	0	0	0	0	111.3	T85 L86	V82-T85 PolarHBondContact O-N 2.85Å; V82-L86 HydrophobicContact CG1-CD1 4.04Å; V82-L86 HydrophobicContact CG1-CG 4.4Å; V82-L86 WeakPolarHBondContact O-CB 3.3Å; V82-L86 VanDerWaalsContact O-CG 3.3Å; V82-L86 WeakPolarHBondContact O-CG 3.16Å; V82-L86 PolarHBondContact O-N 3.2Å
83	Q	84.6	Confident	85.7	Confident	92 Å²	92	36.5 Å²	36.5	43%	0.43	18%	0.183	S	C	.	.	H	α-helix	trans	-70.5	-43.4	-178.9	-172.2	60.7	60.2	0	0	112.2	R41 D81 T85 L86 N87	R41-Q83 HydrophobicContact CG-CB 4.4Å; R41-Q83 HydrophobicContact CG-CG 4.41Å; D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 PolarHBondContact O-N 3.27Å; Q83-T85 VanDerWaalsContact C-N 3.3Å; Q83-T85 PolarHBondContact O-N 3.49Å; Q83-L86 PolarHBondContact O-N 3.45Å; Q83-N87 PolarHBondContact NE2-OD1 2.88Å; Q83-N87 PolarHBondContact O-N 3.17Å; Q83-N87 PolarHBondContact O-OD1 3.34Å
84	T	85.6	Confident	85.7	Confident	6 Å²	6	39.1 Å²	39.1	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-44.1	172.9	-62	0	0	0	0	110.8	T40 R41 T44 D81 N87 I88	T40-T84 HydrophobicContact CG2-CG2 3.71Å; R41-T84 VanDerWaalsContact CG-OG1 3.32Å; R41-T84 WeakPolarHBondContact CG-OG1 3.27Å; T44-T84 HydrophobicContact CG2-CG2 4.24Å; D81-T84 PolarHBondContact O-N 2.85Å; D81-T84 VanDerWaalsContact OD2-CB 3.28Å; D81-T84 WeakPolarHBondContact OD2-CB 3.34Å; D81-T84 PolarHBondContact OD2-N 2.8Å; D81-T84 PolarHBondContact OD2-OG1 2.87Å; T84-N87 WeakPolarHBondContact O-CB 3.32Å; T84-N87 PolarHBondContact O-N 3.1Å; T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.35Å; T84-I88 PolarHBondContact O-N 2.71Å
85	T	86.4	Confident	85.7	Confident	7 Å²	7	37 Å²	37	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-44.4	175.5	-62.2	0	0	0	0	111.6	L76 S79 D81 V82 Q83 N87 I88 M89 I119 L133	L76-T85 HydrophobicContact CD1-CG2 3.88Å; S79-T85 WeakPolarHBondContact CB-OG1 3.38Å; S79-T85 PolarHBondContact OG-OG1 3.04Å; D81-T85 WeakPolarHBondContact O-CB 3.33Å; D81-T85 PolarHBondContact O-N 2.84Å; D81-T85 PolarHBondContact O-OG1 3.09Å; D81-T85 VanDerWaalsContact O-OG1 3.06Å; V82-T85 PolarHBondContact O-N 2.85Å; Q83-T85 VanDerWaalsContact C-N 3.3Å; Q83-T85 PolarHBondContact O-N 3.49Å; T85-N87 PolarHBondContact O-N 3.27Å; T85-I88 PolarHBondContact O-N 2.72Å; T85-M89 HydrophobicContact CG2-CG 4.35Å; T85-M89 WeakPolarHBondContact O-CB 3.33Å; T85-M89 WeakPolarHBondContact O-CG 3.48Å; T85-M89 PolarHBondContact O-N 3.07Å; T85-I119 HydrophobicContact CG2-CG2 4.41Å; T85-L133 HydrophobicContact CG2-CD1 3.73Å
86	L	85.8	Confident	85.6	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-36.9	175.3	-73.1	172.2	0	0	0	112.8	V82 Q83 M89 S90 E132 L133 Q136	V82-L86 HydrophobicContact CG1-CD1 4.04Å; V82-L86 HydrophobicContact CG1-CG 4.4Å; V82-L86 WeakPolarHBondContact O-CB 3.3Å; V82-L86 VanDerWaalsContact O-CG 3.3Å; V82-L86 WeakPolarHBondContact O-CG 3.16Å; V82-L86 PolarHBondContact O-N 3.2Å; Q83-L86 PolarHBondContact O-N 3.45Å; L86-M89 PolarHBondContact O-N 2.99Å; L86-S90 WeakPolarHBondContact O-CB 3.19Å; L86-S90 PolarHBondContact O-N 2.9Å; L86-S90 PolarHBondContact O-OG 2.99Å; L86-E132 HydrophobicContact CD1-CG 4.38Å; L86-E132 HydrophobicContact CD2-CG 4.06Å; L86-L133 HydrophobicContact CD2-CB 4.41Å; L86-L133 HydrophobicContact CD2-CD1 4.24Å; L86-Q136 HydrophobicContact CD2-CG 4.17Å
87	N	88.4	Confident	85	Confident	16 Å²	16	41.6 Å²	41.6	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-46.8	173.5	-66.8	-4.7	0	0	0	111	R41 T44 Q83 T84 T85 S90 I91	R41-N87 PolarHBondContact O-ND2 3.38Å; T44-N87 WeakPolarHBondContact OG1-CB 3.43Å; T44-N87 PolarHBondContact OG1-ND2 2.8Å; Q83-N87 PolarHBondContact NE2-OD1 2.88Å; Q83-N87 PolarHBondContact O-N 3.17Å; Q83-N87 PolarHBondContact O-OD1 3.34Å; T84-N87 WeakPolarHBondContact O-CB 3.32Å; T84-N87 PolarHBondContact O-N 3.1Å; T85-N87 PolarHBondContact O-N 3.27Å; N87-S90 WeakPolarHBondContact O-CB 3.29Å; N87-S90 PolarHBondContact O-N 2.65Å; N87-I91 WeakPolarHBondContact O-CG1 3.34Å; N87-I91 PolarHBondContact O-N 3.45Å
88	I	89.4	Confident	83.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-40.1	178.7	-66	164.2	0	0	0	111.4	T44 I72 L76 T84 T85 S90 I91 L92	T44-I88 HydrophobicContact CG2-CD1 4.12Å; T44-I88 HydrophobicContact CG2-CG1 3.75Å; I72-I88 HydrophobicContact CG2-CG2 3.95Å; L76-I88 HydrophobicContact CB-CG2 3.95Å; L76-I88 HydrophobicContact CD1-CB 4.47Å; L76-I88 HydrophobicContact CD1-CG2 4.09Å; L76-I88 HydrophobicContact CD2-CG2 4.41Å; L76-I88 HydrophobicContact CG-CG2 4.37Å; T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.35Å; T84-I88 PolarHBondContact O-N 2.71Å; T85-I88 PolarHBondContact O-N 2.72Å; I88-S90 VanDerWaalsContact C-N 3.3Å; I88-S90 PolarHBondContact O-N 2.91Å; I88-I91 WeakPolarHBondContact O-CB 3.31Å; I88-I91 PolarHBondContact O-N 3.4Å; I88-L92 HydrophobicContact CG2-CD1 4.44Å; I88-L92 WeakPolarHBondContact O-CG 3.32Å; I88-L92 PolarHBondContact O-N 3.36Å
89	M	88.2	Confident	82.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-36.1	174.1	-71.5	-65.6	-74	0	0	111.7	L76 T85 L86 L92 S93 L116 Q136 L137 L140	L76-M89 HydrophobicContact CD1-CG 4.38Å; L76-M89 HydrophobicContact CD1-SD 4.33Å; L76-M89 HydrophobicContact CD2-SD 4.06Å; T85-M89 HydrophobicContact CG2-CG 4.35Å; T85-M89 WeakPolarHBondContact O-CB 3.33Å; T85-M89 WeakPolarHBondContact O-CG 3.48Å; T85-M89 PolarHBondContact O-N 3.07Å; L86-M89 PolarHBondContact O-N 2.99Å; M89-L92 PolarHBondContact O-N 3.46Å; M89-L92 HydrophobicContact SD-CD1 4.45Å; M89-S93 WeakPolarHBondContact O-CB 3.38Å; M89-S93 PolarHBondContact O-N 3.18Å; M89-L116 HydrophobicContact CE-CD2 3.87Å; M89-L116 HydrophobicContact SD-CD2 3.68Å; M89-Q136 HydrophobicContact CB-CB 4.36Å; M89-Q136 HydrophobicContact CE-CB 4.3Å; M89-L137 VanDerWaalsContact CE-CA 3.49Å; M89-L137 HydrophobicContact CE-CB 4.26Å; M89-L137 HydrophobicContact CE-CD2 3.61Å; M89-L137 HydrophobicContact CE-CG 3.84Å; M89-L137 HydrophobicContact SD-CD2 4.32Å; M89-L140 HydrophobicContact CB-CD1 4.4Å; M89-L140 HydrophobicContact CE-CB 4.18Å; M89-L140 HydrophobicContact CE-CD1 3.5Å; M89-L140 HydrophobicContact CE-CG 4.44Å; M89-L140 VanDerWaalsContact O-CD1 3.31Å; M89-L140 WeakPolarHBondContact O-CD1 3.34Å; M89-L140 HydrophobicContact SD-CD1 3.84Å
90	S	89.3	Confident	81	Confident	34 Å²	34	47.4 Å²	47.4	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-40.5	172.6	-59	0	0	0	0	112.1	L86 N87 I88 S93 E94	L86-S90 WeakPolarHBondContact O-CB 3.19Å; L86-S90 PolarHBondContact O-N 2.9Å; L86-S90 PolarHBondContact O-OG 2.99Å; N87-S90 WeakPolarHBondContact O-CB 3.29Å; N87-S90 PolarHBondContact O-N 2.65Å; I88-S90 VanDerWaalsContact C-N 3.3Å; I88-S90 PolarHBondContact O-N 2.91Å; S90-S93 PolarHBondContact O-N 2.67Å; S90-E94 PolarHBondContact O-N 3.11Å
91	I	89	Confident	80.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-58.2	-50.8	173.2	-74.2	160.7	0	0	0	110.6	T44 I47 L48 I51 I72 N87 I88 S93 E94 L95	T44-I91 WeakPolarHBondContact O-CD1 3.46Å; I47-I91 HydrophobicContact CB-CD1 3.93Å; I47-I91 HydrophobicContact CG2-CD1 3.62Å; I47-I91 HydrophobicContact CG2-CG1 4.15Å; L48-I91 HydrophobicContact CB-CD1 4.3Å; L48-I91 HydrophobicContact CB-CG1 3.76Å; L48-I91 HydrophobicContact CD1-CG1 4.03Å; L48-I91 HydrophobicContact CG-CG1 4.49Å; I51-I91 HydrophobicContact CD1-CG1 4.5Å; I51-I91 HydrophobicContact CD1-CG2 3.68Å; I72-I91 HydrophobicContact CD1-CG2 3.92Å; N87-I91 WeakPolarHBondContact O-CG1 3.34Å; N87-I91 PolarHBondContact O-N 3.45Å; I88-I91 WeakPolarHBondContact O-CB 3.31Å; I88-I91 PolarHBondContact O-N 3.4Å; I91-S93 VanDerWaalsContact C-N 3.31Å; I91-S93 PolarHBondContact O-N 3.46Å; I91-E94 PolarHBondContact O-N 3.11Å; I91-L95 HydrophobicContact CG2-CD1 3.68Å; I91-L95 HydrophobicContact CG2-CG 4.26Å; I91-L95 WeakPolarHBondContact O-CB 3.35Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.29Å; I91-L95 PolarHBondContact O-N 3.28Å
92	L	89.4	Confident	79.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-39.4	178.6	-72.7	177.1	0	0	0	111.7	M69 I72 L76 I88 M89 E94 L96 F107 L140	M69-L92 HydrophobicContact CE-CD2 3.77Å; M69-L92 HydrophobicContact SD-CD2 3.95Å; I72-L92 HydrophobicContact CG2-CD2 3.69Å; I72-L92 HydrophobicContact CG2-CG 4Å; L76-L92 HydrophobicContact CD2-CD1 3.7Å; I88-L92 HydrophobicContact CG2-CD1 4.44Å; I88-L92 WeakPolarHBondContact O-CG 3.32Å; I88-L92 PolarHBondContact O-N 3.36Å; M89-L92 PolarHBondContact O-N 3.46Å; M89-L92 HydrophobicContact SD-CD1 4.45Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 2.92Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 WeakPolarHBondContact O-CD1 3.34Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.38Å; L92-L96 VanDerWaalsContact O-N 3.1Å; L92-F107 HydrophobicContact CD1-CE2 4.07Å; L92-F107 HydrophobicContact CD2-CD2 4.05Å; L92-F107 HydrophobicContact CD2-CE2 3.75Å; L92-F107 HydrophobicContact CG-CE2 4.49Å; L92-L140 HydrophobicContact CB-CD1 3.72Å; L92-L140 HydrophobicContact CB-CD2 4.16Å
93	S	87.8	Confident	79.6	Confident	21 Å²	21	44.7 Å²	44.7	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-43.1	177.2	-162	0	0	0	0	111.3	M89 S90 I91 T97 K143	M89-S93 WeakPolarHBondContact O-CB 3.38Å; M89-S93 PolarHBondContact O-N 3.18Å; S90-S93 PolarHBondContact O-N 2.67Å; I91-S93 VanDerWaalsContact C-N 3.31Å; I91-S93 PolarHBondContact O-N 3.46Å; S93-T97 WeakPolarHBondContact O-CB 3.4Å; S93-T97 PolarHBondContact O-N 3.33Å; S93-T97 PolarHBondContact O-OG1 2.83Å; S93-K143 PolarHBondContact O-NZ 3.44Å; S93-K143 PolarHBondContact OG-NZ 2.86Å
94	E	87.4	Confident	79.6	Confident	62 Å²	62	41 Å²	41	29%	0.29	22%	0.216	S	C	.	.	H	α-helix	trans	-70.1	-50.2	177.8	-166.1	57	-132.6	0	0	112.1	I51 Q52 S90 I91 L92 L96 T97	I51-E94 HydrophobicContact CG2-CB 4.05Å; I51-E94 HydrophobicContact CG2-CG 3.84Å; Q52-E94 HydrophobicContact CG-CG 4.12Å; S90-E94 PolarHBondContact O-N 3.11Å; I91-E94 PolarHBondContact O-N 3.11Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-E94 PolarHBondContact O-N 2.92Å; E94-L96 PolarHBondContact O-N 3.36Å; E94-T97 PolarHBondContact O-N 3.09Å
95	L	85.4	Confident	79.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-54.2	-31.5	178.9	-74.1	175.2	0	0	0	113.4	I51 V61 M62 M69 I72 I91 R103	I51-L95 HydrophobicContact CD1-CD1 4.27Å; I51-L95 HydrophobicContact CD1-CD2 4.03Å; I51-L95 HydrophobicContact CD1-CG 4.16Å; I51-L95 HydrophobicContact CG1-CD2 4.43Å; I51-L95 HydrophobicContact CG2-CD2 3.87Å; I51-L95 HydrophobicContact CG2-CG 4.13Å; V61-L95 HydrophobicContact CB-CD2 4.32Å; V61-L95 HydrophobicContact CG1-CD1 4.01Å; M62-L95 HydrophobicContact CG-CD2 4.2Å; M62-L95 HydrophobicContact SD-CD1 4.43Å; M69-L95 HydrophobicContact CE-CD1 4.15Å; I72-L95 HydrophobicContact CD1-CD1 3.96Å; I91-L95 HydrophobicContact CG2-CD1 3.68Å; I91-L95 HydrophobicContact CG2-CG 4.26Å; I91-L95 WeakPolarHBondContact O-CB 3.35Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.29Å; I91-L95 PolarHBondContact O-N 3.28Å; L95-R103 WeakPolarHBondContact O-CD 3.34Å
96	L	84.1	Confident	79.3	Confident	16 Å²	16	43.8 Å²	43.8	8%	0.084	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-2.6	-178	-61.7	170.9	0	0	0	114.1	M62 L92 E94 V104 F107 L140 V144	M62-L96 HydrophobicContact CE-CD2 4.46Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 WeakPolarHBondContact O-CD1 3.34Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.38Å; L92-L96 VanDerWaalsContact O-N 3.1Å; E94-L96 PolarHBondContact O-N 3.36Å; L96-V104 HydrophobicContact CD2-CG2 4.16Å; L96-F107 HydrophobicContact CD1-CD1 4.47Å; L96-F107 HydrophobicContact CD1-CD2 4.04Å; L96-F107 HydrophobicContact CD1-CE2 4.33Å; L96-F107 HydrophobicContact CD1-CG 4.12Å; L96-F107 HydrophobicContact CD2-CB 3.92Å; L96-F107 HydrophobicContact CD2-CG 4.33Å; L96-L140 HydrophobicContact CD1-CD2 3.58Å; L96-V144 HydrophobicContact CD1-CG2 3.87Å
97	T	74.8	Confident	79.5	Confident	84 Å²	84	43.2 Å²	43.2	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-26.5	176.1	-60.1	0	0	0	0	112.6	S93 E94 K143	S93-T97 WeakPolarHBondContact O-CB 3.4Å; S93-T97 PolarHBondContact O-N 3.33Å; S93-T97 PolarHBondContact O-OG1 2.83Å; E94-T97 PolarHBondContact O-N 3.09Å; T97-K143 PolarHBondContact OG1-NZ 2.87Å
98	V	54.7	Low	79.5	Confident	49 Å²	49	43.6 Å²	43.6	30%	0.297	24%	0.24	S	C	.	.	S	Bend	trans	-100.5	125.4	-172.4	-176.8	0	0	0	0	112.7	E55 R103	E55-V98 HydrophobicContact CG-CG1 3.92Å; V98-R103 WeakPolarHBondContact O-CD 3.36Å; V98-R103 PolarHBondContact O-NE 3.41Å; V98-R103 PolarHBondContact O-NH1 3.28Å
99	G	53.9	Low	79.3	Confident	48 Å²	48	48 Å²	48	50%	0.495	27%	0.271	S	S	.	.	S	Bend	trans	81.7	65.7	152.8	0	0	0	0	0	118.9
100	R	57.1	Low	79.3	Confident	198 Å²	198	52.1 Å²	52.1	75%	0.747	29%	0.289	S	S	*	.	S	Bend	trans	61	148	169	-59.5	-169.5	-176.8	-159.1	2.5	116	R102 R103	R100-R102 PolarHBondContact O-N 3.19Å; R100-R103 PolarHBondContact O-N 2.95Å
101	G	61.8	Low	79.3	Confident	45 Å²	45	52.2 Å²	52.2	46%	0.464	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-6.6	-164.2	0	0	0	0	0	118.4	R103 V104 G105	G101-R103 PolarHBondContact O-N 2.88Å; G101-V104 PolarHBondContact O-N 2.96Å; G101-G105 PolarHBondContact O-N 3.33Å
102	R	70.1	Confident	79.3	Confident	217 Å²	217	52.1 Å²	52.1	82%	0.819	29%	0.294	S	S	*	.	H	α-helix	trans	-55.9	-36.9	175.2	-57.2	-178.2	-169.8	173.3	3.1	112	R100 G105 V106	R100-R102 PolarHBondContact O-N 3.19Å; R102-G105 PolarHBondContact O-N 2.95Å; R102-V106 PolarHBondContact O-N 3.14Å
103	R	79.4	Confident	79.5	Confident	28 Å²	28	52.1 Å²	52.1	11%	0.106	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-41.7	178.7	-62.3	-169	-163.8	-172.4	5.3	112.4	E55 M62 L95 V98 R100 G101 G105 V106 F107	E55-R103 IonicContact OE1-CZ 3.52Å; E55-R103 IonicContact OE1-NH1 3.65Å; E55-R103 IonicContact OE1-NH2 3.46Å; E55-R103 PolarHBondContact OE1-NH2 3.12Å; M62-R103 HydrophobicContact CE-CB 3.93Å; M62-R103 WeakPolarHBondContact CE-O 3.45Å; L95-R103 WeakPolarHBondContact O-CD 3.34Å; V98-R103 WeakPolarHBondContact O-CD 3.36Å; V98-R103 PolarHBondContact O-NE 3.41Å; V98-R103 PolarHBondContact O-NH1 3.28Å; R100-R103 PolarHBondContact O-N 2.95Å; G101-R103 PolarHBondContact O-N 2.88Å; R103-G105 VanDerWaalsContact C-N 3.32Å; R103-G105 PolarHBondContact O-N 3.05Å; R103-V106 PolarHBondContact O-N 3.21Å; R103-F107 PolarHBondContact O-N 2.98Å; R103-F107 VanDerWaalsContact O-N 3.15Å
104	V	83.6	Confident	79.7	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-40.4	175.3	-172.3	0	0	0	0	110.6	L96 G101 V106 F107 V108 V144 K147	L96-V104 HydrophobicContact CD2-CG2 4.16Å; G101-V104 PolarHBondContact O-N 2.96Å; V104-V106 VanDerWaalsContact C-N 3.3Å; V104-V106 PolarHBondContact O-N 3.29Å; V104-F107 WeakPolarHBondContact O-CB 3.31Å; V104-F107 PolarHBondContact O-N 3.02Å; V104-V108 HydrophobicContact CG1-CG2 4.31Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.33Å; V104-V108 PolarHBondContact O-N 2.56Å; V104-V144 HydrophobicContact CG1-CB 4.37Å; V104-V144 HydrophobicContact CG1-CG1 4.24Å; V104-V144 HydrophobicContact CG1-CG2 4.38Å; V104-K147 HydrophobicContact CG1-CB 4.04Å
105	G	81.9	Confident	79.8	Confident	35 Å²	35	49.8 Å²	49.8	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-58	-37.2	174.4	0	0	0	0	0	114	G101 R102 R103 S109	G101-G105 PolarHBondContact O-N 3.33Å; R102-G105 PolarHBondContact O-N 2.95Å; R103-G105 VanDerWaalsContact C-N 3.32Å; R103-G105 PolarHBondContact O-N 3.05Å; G105-S109 WeakPolarHBondContact O-CB 3.39Å; G105-S109 PolarHBondContact O-N 2.77Å; G105-S109 PolarHBondContact O-OG 2.93Å
106	V	84.8	Confident	80.2	Confident	36 Å²	36	49.8 Å²	49.8	22%	0.218	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-43.5	174.5	175.3	0	0	0	0	111.6	M62 R102 R103 V104 V108 S109 K110	M62-V106 HydrophobicContact CE-CB 4.12Å; M62-V106 HydrophobicContact CE-CG1 4.25Å; R102-V106 PolarHBondContact O-N 3.14Å; R103-V106 PolarHBondContact O-N 3.21Å; V104-V106 VanDerWaalsContact C-N 3.3Å; V104-V106 PolarHBondContact O-N 3.29Å; V106-V108 VanDerWaalsContact C-N 3.32Å; V106-V108 PolarHBondContact O-N 2.67Å; V106-S109 PolarHBondContact O-N 3.19Å; V106-S109 PolarHBondContact O-OG 3.14Å; V106-S109 VanDerWaalsContact O-OG 3.08Å; V106-K110 WeakPolarHBondContact O-CG 2.98Å; V106-K110 PolarHBondContact O-N 3.42Å
107	F	88.5	Confident	80.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-43.2	175.2	176.6	-89.6	0	0	0	112.1	M69 L73 L92 L96 R103 V104 G111 G112 L116 V144	M69-F107 HydrophobicContact CE-CD2 3.95Å; M69-F107 HydrophobicContact SD-CD2 3.68Å; M69-F107 HydrophobicContact SD-CE2 4.3Å; L73-F107 HydrophobicContact CD2-CD2 4.46Å; L73-F107 HydrophobicContact CD2-CE2 3.72Å; L73-F107 HydrophobicContact CD2-CZ 4.24Å; L92-F107 HydrophobicContact CD1-CE2 4.07Å; L92-F107 HydrophobicContact CD2-CD2 4.05Å; L92-F107 HydrophobicContact CD2-CE2 3.75Å; L92-F107 HydrophobicContact CG-CE2 4.49Å; L96-F107 HydrophobicContact CD1-CD1 4.47Å; L96-F107 HydrophobicContact CD1-CD2 4.04Å; L96-F107 HydrophobicContact CD1-CE2 4.33Å; L96-F107 HydrophobicContact CD1-CG 4.12Å; L96-F107 HydrophobicContact CD2-CB 3.92Å; L96-F107 HydrophobicContact CD2-CG 4.33Å; R103-F107 PolarHBondContact O-N 2.98Å; R103-F107 VanDerWaalsContact O-N 3.15Å; V104-F107 WeakPolarHBondContact O-CB 3.31Å; V104-F107 PolarHBondContact O-N 3.02Å; F107-G111 PolarHBondContact O-N 2.92Å; F107-G112 WeakPolarHBondContact CZ-O 3.4Å; F107-G112 PolarHBondContact O-N 2.97Å; F107-L116 HydrophobicContact CE1-CD1 3.86Å; F107-L116 HydrophobicContact CZ-CD1 3.61Å; F107-L116 HydrophobicContact CZ-CG 3.96Å; F107-V144 HydrophobicContact CD1-CG1 3.85Å; F107-V144 HydrophobicContact CD1-CG2 3.78Å; F107-V144 HydrophobicContact CE1-CB 4.41Å; F107-V144 HydrophobicContact CE1-CG1 3.91Å; F107-V144 HydrophobicContact CE1-CG2 3.71Å
108	V	88.3	Confident	81.5	Confident	24 Å²	24	50.2 Å²	50.2	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-39.6	178.1	173.3	0	0	0	0	111.8	V104 V106 G111 V144 D148	V104-V108 HydrophobicContact CG1-CG2 4.31Å; V104-V108 VanDerWaalsContact O-CG2 3.32Å; V104-V108 WeakPolarHBondContact O-CG2 3.33Å; V104-V108 PolarHBondContact O-N 2.56Å; V106-V108 VanDerWaalsContact C-N 3.32Å; V106-V108 PolarHBondContact O-N 2.67Å; V108-G111 PolarHBondContact O-N 3.41Å; V108-G111 VanDerWaalsContact O-N 3.13Å; V108-V144 HydrophobicContact CG2-CG1 3.66Å; V108-D148 HydrophobicContact CG1-CB 3.79Å; V108-D148 HydrophobicContact CG2-CB 3.85Å
109	S	86.6	Confident	83.2	Confident	95 Å²	95	48.9 Å²	48.9	66%	0.664	28%	0.275	S	S	*	.	H	α-helix	trans	-72.3	-28.4	179.3	70.8	0	0	0	0	113.4	G105 V106 G111	G105-S109 WeakPolarHBondContact O-CB 3.39Å; G105-S109 PolarHBondContact O-N 2.77Å; G105-S109 PolarHBondContact O-OG 2.93Å; V106-S109 PolarHBondContact O-N 3.19Å; V106-S109 PolarHBondContact O-OG 3.14Å; V106-S109 VanDerWaalsContact O-OG 3.08Å; S109-G111 PolarHBondContact O-N 2.9Å
110	K	88.1	Confident	85	Confident	86 Å²	86	46.6 Å²	46.6	37%	0.374	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	11.1	168.4	-63	-60.5	-162.6	170.2	0	113.7	M69 E70 L73 V106 G112	M69-K110 HydrophobicContact CG-CB 4.3Å; M69-K110 HydrophobicContact CG-CG 4.36Å; E70-K110 HydrophobicContact CG-CD 3.77Å; E70-K110 HydrophobicContact CG-CG 4.31Å; E70-K110 WeakPolarHBondContact OE1-CD 3.46Å; E70-K110 WeakPolarHBondContact OE1-CE 3.11Å; E70-K110 IonicContact OE1-NZ 3.69Å; E70-K110 PolarHBondContact OE1-NZ 3.4Å; E70-K110 IonicContact OE2-NZ 3.45Å; E70-K110 PolarHBondContact OE2-NZ 2.66Å; L73-K110 HydrophobicContact CD1-CB 4.07Å; L73-K110 WeakPolarHBondContact CD1-O 3.2Å; V106-K110 WeakPolarHBondContact O-CG 2.98Å; V106-K110 PolarHBondContact O-N 3.42Å; K110-G112 VanDerWaalsContact C-N 3.34Å; K110-G112 PolarHBondContact O-N 3.47Å
111	G	87.9	Confident	86.6	Confident	35 Å²	35	38.8 Å²	38.8	36%	0.361	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	2.2	172.4	0	0	0	0	0	116	F107 V108 S109 T113 G114	F107-G111 PolarHBondContact O-N 2.92Å; V108-G111 PolarHBondContact O-N 3.41Å; V108-G111 VanDerWaalsContact O-N 3.13Å; S109-G111 PolarHBondContact O-N 2.9Å; G111-T113 PolarHBondContact O-N 3.5Å; G111-G114 PolarHBondContact O-N 2.93Å
112	G	90.3	Very high	87.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-26.5	-169.1	0	0	0	0	0	116	F107 K110 G114 V115 L116	F107-G112 WeakPolarHBondContact CZ-O 3.4Å; F107-G112 PolarHBondContact O-N 2.97Å; K110-G112 VanDerWaalsContact C-N 3.34Å; K110-G112 PolarHBondContact O-N 3.47Å; G112-G114 VanDerWaalsContact C-N 3.26Å; G112-G114 PolarHBondContact O-N 2.77Å; G112-V115 WeakPolarHBondContact O-CB 3.5Å; G112-V115 PolarHBondContact O-N 3.14Å; G112-L116 PolarHBondContact O-N 3.39Å
113	T	92.5	Very high	88.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-37.8	171.5	-34.9	0	0	0	0	112.5	G111 F117 D148 F151 K154	G111-T113 PolarHBondContact O-N 3.5Å; T113-F117 HydrophobicContact CG2-CD2 4.3Å; T113-F117 HydrophobicContact CG2-CE2 3.68Å; T113-F117 HydrophobicContact CG2-CZ 4.17Å; T113-F117 WeakPolarHBondContact O-CD2 3.38Å; T113-F117 PolarHBondContact O-N 3.32Å; T113-D148 WeakPolarHBondContact CB-OD2 3.39Å; T113-D148 VanDerWaalsContact CG2-OD2 3.25Å; T113-D148 WeakPolarHBondContact CG2-OD2 3.27Å; T113-D148 PolarHBondContact OG1-OD2 3.36Å; T113-F151 HydrophobicContact CG2-CD2 3.48Å; T113-F151 VanDerWaalsContact CG2-CD2 3.48Å; T113-F151 HydrophobicContact CG2-CE2 3.86Å; T113-K154 HydrophobicContact CG2-CD 4.28Å
114	G	91.6	Very high	89	Confident	25 Å²	25	30.3 Å²	30.3	26%	0.258	20%	0.196	S	C	.	.	H	α-helix	trans	-66.8	-44	178	0	0	0	0	0	111.5	G111 G112 L116 F117 Q118	G111-G114 PolarHBondContact O-N 2.93Å; G112-G114 VanDerWaalsContact C-N 3.26Å; G112-G114 PolarHBondContact O-N 2.77Å; G114-L116 PolarHBondContact O-N 3Å; G114-F117 PolarHBondContact O-N 2.97Å; G114-Q118 WeakPolarHBondContact O-CG 3.31Å; G114-Q118 PolarHBondContact O-N 3.28Å
115	V	91.4	Very high	89.2	Confident	9 Å²	9	36.4 Å²	36.4	6%	0.055	22%	0.221	C	C	.	.	H	α-helix	trans	-55.9	-51.2	174.5	-179.9	0	0	0	0	110.9	L73 L76 E77 G112 F117 Q118 I119	L73-V115 HydrophobicContact CB-CG2 4.42Å; L73-V115 HydrophobicContact CD2-CB 4.16Å; L73-V115 HydrophobicContact CD2-CG1 4.3Å; L73-V115 HydrophobicContact CD2-CG2 4.07Å; L76-V115 HydrophobicContact CB-CG1 4.17Å; L76-V115 HydrophobicContact CD2-CG1 3.82Å; L76-V115 HydrophobicContact CG-CG1 3.91Å; E77-V115 HydrophobicContact CG-CB 4.22Å; E77-V115 HydrophobicContact CG-CG1 3.59Å; E77-V115 HydrophobicContact CG-CG2 3.83Å; G112-V115 WeakPolarHBondContact O-CB 3.5Å; G112-V115 PolarHBondContact O-N 3.14Å; V115-F117 VanDerWaalsContact C-N 3.28Å; V115-F117 PolarHBondContact O-N 2.93Å; V115-Q118 PolarHBondContact O-N 3.43Å; V115-Q118 VanDerWaalsContact O-N 3.08Å; V115-I119 HydrophobicContact CG1-CG1 4.34Å; V115-I119 WeakPolarHBondContact O-CG1 3.29Å; V115-I119 PolarHBondContact O-N 2.95Å
116	L	93.2	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-37	179.6	-69.7	176.6	0	0	0	112.9	L76 M89 F107 G112 G114 L120 L137 L140 L141	L76-L116 HydrophobicContact CD2-CD2 4.25Å; M89-L116 HydrophobicContact CE-CD2 3.87Å; M89-L116 HydrophobicContact SD-CD2 3.68Å; F107-L116 HydrophobicContact CE1-CD1 3.86Å; F107-L116 HydrophobicContact CZ-CD1 3.61Å; F107-L116 HydrophobicContact CZ-CG 3.96Å; G112-L116 PolarHBondContact O-N 3.39Å; G114-L116 PolarHBondContact O-N 3Å; L116-L120 VanDerWaalsContact O-CB 3.25Å; L116-L120 WeakPolarHBondContact O-CB 3.37Å; L116-L120 PolarHBondContact O-N 3.19Å; L116-L137 HydrophobicContact CD2-CD2 4.33Å; L116-L140 HydrophobicContact CD1-CB 4.21Å; L116-L141 HydrophobicContact CB-CD2 3.65Å; L116-L141 HydrophobicContact CB-CG 4.17Å; L116-L141 HydrophobicContact CD1-CD2 4.01Å; L116-L141 HydrophobicContact CD1-CG 4.36Å
117	F	94.2	Very high	88.8	Confident	3 Å²	3	45.4 Å²	45.4	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-69.9	-41.5	173.9	-67.2	-43.9	0	0	0	112.6	T113 G114 V115 I119 L120 I121 L141 F151 K154 A155 A160 Y188	T113-F117 HydrophobicContact CG2-CD2 4.3Å; T113-F117 HydrophobicContact CG2-CE2 3.68Å; T113-F117 HydrophobicContact CG2-CZ 4.17Å; T113-F117 WeakPolarHBondContact O-CD2 3.38Å; T113-F117 PolarHBondContact O-N 3.32Å; G114-F117 PolarHBondContact O-N 2.97Å; V115-F117 VanDerWaalsContact C-N 3.28Å; V115-F117 PolarHBondContact O-N 2.93Å; F117-I119 PolarHBondContact O-N 3.45Å; F117-L120 PolarHBondContact O-N 3.4Å; F117-I121 VanDerWaalsContact O-CD1 3.26Å; F117-I121 WeakPolarHBondContact O-CD1 3.4Å; F117-I121 VanDerWaalsContact O-CG1 3.28Å; F117-I121 WeakPolarHBondContact O-CG1 3.22Å; F117-I121 PolarHBondContact O-N 2.92Å; F117-L141 HydrophobicContact CD1-CD1 4.06Å; F117-L141 HydrophobicContact CD1-CD2 3.86Å; F117-L141 HydrophobicContact CE1-CD1 3.95Å; F117-L141 HydrophobicContact CE1-CD2 3.5Å; F117-L141 HydrophobicContact CE1-CG 4.35Å; F117-L141 HydrophobicContact CZ-CD2 3.98Å; F117-F151 HydrophobicContact CE1-CE2 4.27Å; F117-F151 HydrophobicContact CE1-CZ 4.23Å; F117-F151 HydrophobicContact CE2-CD2 4.33Å; F117-F151 HydrophobicContact CE2-CE2 4.4Å; F117-F151 HydrophobicContact CZ-CD1 4.47Å; F117-F151 AromaticContact CZ-CD2 3.86Å; F117-F151 HydrophobicContact CZ-CD2 3.86Å; F117-F151 HydrophobicContact CZ-CE1 4.26Å; F117-F151 AromaticContact CZ-CE2 3.59Å; F117-F151 HydrophobicContact CZ-CE2 3.59Å; F117-F151 HydrophobicContact CZ-CG 4.31Å; F117-F151 AromaticContact CZ-CZ 3.82Å; F117-F151 HydrophobicContact CZ-CZ 3.82Å; F117-K154 HydrophobicContact CD2-CB 3.96Å; F117-K154 HydrophobicContact CE2-CB 3.65Å; F117-A155 HydrophobicContact CE1-CB 3.98Å; F117-A155 HydrophobicContact CE2-CB 4.07Å; F117-A155 HydrophobicContact CZ-CB 3.63Å; F117-A160 HydrophobicContact CB-CB 4.04Å; F117-A160 HydrophobicContact CD1-CB 3.43Å; F117-A160 VanDerWaalsContact CD1-CB 3.43Å; F117-A160 HydrophobicContact CE1-CB 4.12Å; F117-A160 HydrophobicContact CG-CB 3.93Å; F117-Y188 AromaticContact CE1-CE1 3.98Å; F117-Y188 HydrophobicContact CE1-CE1 3.98Å; F117-Y188 WeakPolarHBondContact CE1-OH 3.33Å; F117-Y188 HydrophobicContact CZ-CE1 4.09Å
118	Q	91.4	Very high	88.2	Confident	107 Å²	107	51 Å²	51	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-43.8	176.1	-71.7	-173.2	55.7	0	0	112.3	E77 G114 V115 I121 S122	E77-Q118 PolarHBondContact OE1-NE2 3.21Å; G114-Q118 WeakPolarHBondContact O-CG 3.31Å; G114-Q118 PolarHBondContact O-N 3.28Å; V115-Q118 PolarHBondContact O-N 3.43Å; V115-Q118 VanDerWaalsContact O-N 3.08Å; Q118-I121 PolarHBondContact O-N 3.19Å; Q118-S122 WeakPolarHBondContact O-CB 3.34Å; Q118-S122 PolarHBondContact O-N 3.05Å; Q118-S122 PolarHBondContact O-OG 3.48Å
119	I	90.7	Very high	87.8	Confident	20 Å²	20	51.6 Å²	51.6	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-41	176.4	-59.4	-56.5	0	0	0	111	L76 T85 V115 F117 I121 S122 A123 L137	L76-I119 HydrophobicContact CD1-CG1 4.35Å; L76-I119 HydrophobicContact CG-CG1 4.1Å; L76-I119 WeakPolarHBondContact O-CD1 3.21Å; T85-I119 HydrophobicContact CG2-CG2 4.41Å; V115-I119 HydrophobicContact CG1-CG1 4.34Å; V115-I119 WeakPolarHBondContact O-CG1 3.29Å; V115-I119 PolarHBondContact O-N 2.95Å; F117-I119 PolarHBondContact O-N 3.45Å; I119-I121 VanDerWaalsContact C-N 3.35Å; I119-I121 PolarHBondContact O-N 3.07Å; I119-S122 PolarHBondContact O-N 3.26Å; I119-S122 VanDerWaalsContact O-N 3.12Å; I119-A123 WeakPolarHBondContact O-CB 3.43Å; I119-A123 PolarHBondContact O-N 3.03Å; I119-L137 HydrophobicContact CB-CD2 4.19Å; I119-L137 HydrophobicContact CG2-CD1 4.37Å; I119-L137 HydrophobicContact CG2-CD2 3.93Å
120	L	91.8	Very high	87.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-42.4	175.3	177.4	63	0	0	0	112.9	L116 F117 S122 S124 M134 L137 L141 A160 V163	L116-L120 VanDerWaalsContact O-CB 3.25Å; L116-L120 WeakPolarHBondContact O-CB 3.37Å; L116-L120 PolarHBondContact O-N 3.19Å; F117-L120 PolarHBondContact O-N 3.4Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-S124 WeakPolarHBondContact O-CB 3.44Å; L120-S124 PolarHBondContact O-N 2.95Å; L120-S124 VanDerWaalsContact O-N 3.14Å; L120-S124 PolarHBondContact O-OG 2.95Å; L120-M134 HydrophobicContact CD1-CE 3.43Å; L120-M134 VanDerWaalsContact CD1-CE 3.43Å; L120-M134 HydrophobicContact CD1-SD 3.85Å; L120-L137 HydrophobicContact CB-CD1 4.33Å; L120-L137 HydrophobicContact CD1-CB 4.3Å; L120-L137 HydrophobicContact CD1-CD1 4.11Å; L120-L141 HydrophobicContact CD2-CD1 3.71Å; L120-A160 HydrophobicContact CD2-CB 4.12Å; L120-V163 HydrophobicContact CD1-CG1 3.82Å; L120-V163 HydrophobicContact CD2-CG1 4.46Å; L120-V163 HydrophobicContact CG-CB 4.42Å; L120-V163 HydrophobicContact CG-CG1 3.83Å
121	I	90.2	Very high	87.4	Confident	35 Å²	35	50.4 Å²	50.4	18%	0.179	29%	0.29	C	S	.	.	H	α-helix	trans	-73.4	-23.7	177.5	-64.8	154.8	0	0	0	112.3	F117 Q118 I119 S124 K125 S158 A160 V163	F117-I121 VanDerWaalsContact O-CD1 3.26Å; F117-I121 WeakPolarHBondContact O-CD1 3.4Å; F117-I121 VanDerWaalsContact O-CG1 3.28Å; F117-I121 WeakPolarHBondContact O-CG1 3.22Å; F117-I121 PolarHBondContact O-N 2.92Å; Q118-I121 PolarHBondContact O-N 3.19Å; I119-I121 VanDerWaalsContact C-N 3.35Å; I119-I121 PolarHBondContact O-N 3.07Å; I121-S124 PolarHBondContact O-OG 3.41Å; I121-K125 VanDerWaalsContact O-CE 3.27Å; I121-K125 WeakPolarHBondContact O-CE 3.06Å; I121-K125 WeakPolarHBondContact O-CG 3.44Å; I121-S158 WeakPolarHBondContact CD1-O 3.22Å; I121-A160 HydrophobicContact CD1-CB 4.15Å; I121-A160 HydrophobicContact CG1-CB 4.24Å; I121-V163 HydrophobicContact CG1-CG2 4.18Å
122	S	88.4	Confident	87.3	Confident	63 Å²	63	54.2 Å²	54.2	44%	0.441	30%	0.298	S	S	.	.	H	α-helix	trans	-79	-51.1	176.5	-58.8	0	0	0	0	110.5	Q118 I119 L120 S124 K125	Q118-S122 WeakPolarHBondContact O-CB 3.34Å; Q118-S122 PolarHBondContact O-N 3.05Å; Q118-S122 PolarHBondContact O-OG 3.48Å; I119-S122 PolarHBondContact O-N 3.26Å; I119-S122 VanDerWaalsContact O-N 3.12Å; L120-S122 VanDerWaalsContact C-N 3.3Å; S122-S124 PolarHBondContact O-N 2.93Å; S122-K125 WeakPolarHBondContact O-CB 3.45Å; S122-K125 PolarHBondContact O-N 3.46Å; S122-K125 VanDerWaalsContact O-N 3.08Å
123	A	87.1	Confident	87.1	Confident	6 Å²	6	54.8 Å²	54.8	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-25.3	176.7	0	0	0	0	0	113.7	I119 K125 D126 L133 M134 L137	I119-A123 WeakPolarHBondContact O-CB 3.43Å; I119-A123 PolarHBondContact O-N 3.03Å; A123-K125 PolarHBondContact O-N 3.47Å; A123-D126 PolarHBondContact O-N 2.98Å; A123-L133 HydrophobicContact CB-CD2 3.72Å; A123-L133 HydrophobicContact CB-CG 4.28Å; A123-M134 HydrophobicContact CB-SD 3.96Å; A123-L137 HydrophobicContact CB-CD1 4.3Å
124	S	87.6	Confident	87	Confident	42 Å²	42	55 Å²	55	29%	0.294	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.7	175.6	72.2	0	0	0	0	114.9	L120 I121 S122 V163	L120-S124 WeakPolarHBondContact O-CB 3.44Å; L120-S124 PolarHBondContact O-N 2.95Å; L120-S124 VanDerWaalsContact O-N 3.14Å; L120-S124 PolarHBondContact O-OG 2.95Å; I121-S124 PolarHBondContact O-OG 3.41Å; S122-S124 PolarHBondContact O-N 2.93Å; S124-V163 WeakPolarHBondContact OG-CG2 3.38Å
125	K	86.3	Confident	86.9	Confident	143 Å²	143	56.2 Å²	56.2	62%	0.622	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.1	174.2	-65.5	166.1	-174.7	168.8	0	112.4	I121 S122 A123	I121-K125 VanDerWaalsContact O-CE 3.27Å; I121-K125 WeakPolarHBondContact O-CE 3.06Å; I121-K125 WeakPolarHBondContact O-CG 3.44Å; S122-K125 WeakPolarHBondContact O-CB 3.45Å; S122-K125 PolarHBondContact O-N 3.46Å; S122-K125 VanDerWaalsContact O-N 3.08Å; A123-K125 PolarHBondContact O-N 3.47Å
126	D	81.8	Confident	86.9	Confident	89 Å²	89	57.9 Å²	57.9	48%	0.476	31%	0.309	S	S	.	.	S	Bend	trans	-70.2	142.7	173.2	-59.6	-38.7	0	0	0	109.9	A123 P128 P129	A123-D126 PolarHBondContact O-N 2.98Å; D126-P128 CarbonylContact O-C 3.57Å; D126-P128 VanDerWaalsContact O-C 3.28Å; D126-P129 WeakPolarHBondContact O-CD 3.46Å; D126-P129 VanDerWaalsContact O-N 3.08Å
127	L	77.3	Confident	86.8	Confident	172 Å²	172	57.9 Å²	57.9	90%	0.901	31%	0.309	S	S	*	.	S	Bend	trans	-128.6	101.9	-171.6	-82.9	159.3	0	0	0	110.3
128	P	75.1	Confident	86.8	Confident	118 Å²	118	57.7 Å²	57.7	77%	0.766	31%	0.309	S	S	*	.	S	Bend	cis	-75	155.9	-5.2	33.1	-36	0	0	0	113.1	D126	D126-P128 CarbonylContact O-C 3.57Å; D126-P128 VanDerWaalsContact O-C 3.28Å
129	P	79.5	Confident	86.9	Confident	35 Å²	35	54.2 Å²	54.2	23%	0.227	30%	0.296	C	S	.	.			trans	-71.7	143.7	175.1	30.3	-35.1	0	0	0	111.2	D126 E131 M134	D126-P129 WeakPolarHBondContact O-CD 3.46Å; D126-P129 VanDerWaalsContact O-N 3.08Å; P129-E131 PolarHBondContact O-N 3.08Å; P129-M134 HydrophobicContact CB-CG 4.39Å
130	S	83.8	Confident	86.9	Confident	44 Å²	44	53.2 Å²	53.2	31%	0.308	29%	0.291	S	S	.	.			trans	-69.2	110.3	-176.7	173.3	0	0	0	0	112.4	E132 L133 M134	S130-E132 VanDerWaalsContact C-N 3.27Å; S130-E132 PolarHBondContact O-N 3.28Å; S130-L133 PolarHBondContact O-N 2.9Å; S130-L133 VanDerWaalsContact O-N 3.15Å; S130-M134 VanDerWaalsContact O-CG 3.29Å; S130-M134 WeakPolarHBondContact O-CG 3.45Å; S130-M134 PolarHBondContact O-N 3.5Å
131	E	82.9	Confident	87.1	Confident	113 Å²	113	53.2 Å²	53.2	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-52.2	-42.1	179.6	-74	-169.3	-154.9	0	0	113.1	P129 M134 L135 N174	P129-E131 PolarHBondContact O-N 3.08Å; E131-M134 PolarHBondContact O-N 2.73Å; E131-L135 VanDerWaalsContact O-CB 3.23Å; E131-L135 WeakPolarHBondContact O-CB 3.39Å; E131-L135 PolarHBondContact O-N 2.86Å; E131-N174 PolarHBondContact OE2-ND2 2.73Å
132	E	86.4	Confident	87.1	Confident	115 Å²	115	52.1 Å²	52.1	54%	0.537	29%	0.287	S	S	.	.	H	α-helix	trans	-67.4	-41.3	-178.8	-176.1	171.2	-161	0	0	111.9	L86 S130 L135 Q136	L86-E132 HydrophobicContact CD1-CG 4.38Å; L86-E132 HydrophobicContact CD2-CG 4.06Å; S130-E132 VanDerWaalsContact C-N 3.27Å; S130-E132 PolarHBondContact O-N 3.28Å; E132-L135 WeakPolarHBondContact O-CB 3.4Å; E132-L135 PolarHBondContact O-N 3.22Å; E132-Q136 WeakPolarHBondContact O-CG 3.25Å; E132-Q136 PolarHBondContact O-N 2.85Å
133	L	87.2	Confident	87.2	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-43.9	176.1	-178.4	55.5	0	0	0	110.8	T85 L86 A123 S130 L135 Q136 L137	T85-L133 HydrophobicContact CG2-CD1 3.73Å; L86-L133 HydrophobicContact CD2-CB 4.41Å; L86-L133 HydrophobicContact CD2-CD1 4.24Å; A123-L133 HydrophobicContact CB-CD2 3.72Å; A123-L133 HydrophobicContact CB-CG 4.28Å; S130-L133 PolarHBondContact O-N 2.9Å; S130-L133 VanDerWaalsContact O-N 3.15Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 PolarHBondContact O-N 3Å; L133-Q136 PolarHBondContact O-N 3.34Å; L133-L137 HydrophobicContact CD1-CD1 4.11Å; L133-L137 HydrophobicContact CD1-CG 4.3Å; L133-L137 HydrophobicContact CG-CD1 3.89Å; L133-L137 WeakPolarHBondContact O-CB 3.39Å; L133-L137 WeakPolarHBondContact O-CD1 3.4Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.09Å
134	M	88.8	Confident	87.4	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-34.2	177.8	-60.7	-57.2	-86.4	0	0	112.2	L120 A123 P129 S130 E131 L137 H138 V163 V167	L120-M134 HydrophobicContact CD1-CE 3.43Å; L120-M134 VanDerWaalsContact CD1-CE 3.43Å; L120-M134 HydrophobicContact CD1-SD 3.85Å; A123-M134 HydrophobicContact CB-SD 3.96Å; P129-M134 HydrophobicContact CB-CG 4.39Å; S130-M134 VanDerWaalsContact O-CG 3.29Å; S130-M134 WeakPolarHBondContact O-CG 3.45Å; S130-M134 PolarHBondContact O-N 3.5Å; E131-M134 PolarHBondContact O-N 2.73Å; M134-L137 HydrophobicContact SD-CD1 4.1Å; M134-H138 PolarHBondContact O-N 3.46Å; M134-H138 VanDerWaalsContact O-N 3.11Å; M134-H138 PolarHBondContact O-ND1 3.41Å; M134-V163 HydrophobicContact CE-CG1 3.76Å; M134-V167 HydrophobicContact CE-CG2 3.45Å; M134-V167 VanDerWaalsContact CE-CG2 3.45Å
135	L	90.9	Very high	87.5	Confident	50 Å²	50	50.5 Å²	50.5	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-50.7	172.6	177.7	70.4	0	0	0	111.5	E131 E132 L133 S139 K176 V177 P180	E131-L135 VanDerWaalsContact O-CB 3.23Å; E131-L135 WeakPolarHBondContact O-CB 3.39Å; E131-L135 PolarHBondContact O-N 2.86Å; E132-L135 WeakPolarHBondContact O-CB 3.4Å; E132-L135 PolarHBondContact O-N 3.22Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 PolarHBondContact O-N 3Å; L135-S139 VanDerWaalsContact O-CB 3.24Å; L135-S139 WeakPolarHBondContact O-CB 3.46Å; L135-S139 PolarHBondContact O-N 3.42Å; L135-K176 WeakPolarHBondContact CD1-O 3.36Å; L135-V177 HydrophobicContact CD1-CG2 4.49Å; L135-P180 HydrophobicContact CD1-CG 3.96Å
136	Q	89.8	Confident	87.6	Confident	44 Å²	44	47 Å²	47	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-39.8	-179.8	-65.3	-65.7	-5	0	0	111.9	L86 M89 E132 L133 S139 L140	L86-Q136 HydrophobicContact CD2-CG 4.17Å; M89-Q136 HydrophobicContact CB-CB 4.36Å; M89-Q136 HydrophobicContact CE-CB 4.3Å; E132-Q136 WeakPolarHBondContact O-CG 3.25Å; E132-Q136 PolarHBondContact O-N 2.85Å; L133-Q136 PolarHBondContact O-N 3.34Å; Q136-S139 PolarHBondContact O-N 3.5Å; Q136-L140 PolarHBondContact O-N 3.17Å
137	L	92.1	Very high	87.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-53.2	175.4	-77.2	162.7	0	0	0	112.2	M89 L116 I119 L120 A123 L133 M134 S139 L140 L141	M89-L137 VanDerWaalsContact CE-CA 3.49Å; M89-L137 HydrophobicContact CE-CB 4.26Å; M89-L137 HydrophobicContact CE-CD2 3.61Å; M89-L137 HydrophobicContact CE-CG 3.84Å; M89-L137 HydrophobicContact SD-CD2 4.32Å; L116-L137 HydrophobicContact CD2-CD2 4.33Å; I119-L137 HydrophobicContact CB-CD2 4.19Å; I119-L137 HydrophobicContact CG2-CD1 4.37Å; I119-L137 HydrophobicContact CG2-CD2 3.93Å; L120-L137 HydrophobicContact CB-CD1 4.33Å; L120-L137 HydrophobicContact CD1-CB 4.3Å; L120-L137 HydrophobicContact CD1-CD1 4.11Å; A123-L137 HydrophobicContact CB-CD1 4.3Å; L133-L137 HydrophobicContact CD1-CD1 4.11Å; L133-L137 HydrophobicContact CD1-CG 4.3Å; L133-L137 HydrophobicContact CG-CD1 3.89Å; L133-L137 WeakPolarHBondContact O-CB 3.39Å; L133-L137 WeakPolarHBondContact O-CD1 3.4Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.09Å; M134-L137 HydrophobicContact SD-CD1 4.1Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 2.79Å; L137-L140 PolarHBondContact O-N 2.59Å; L137-L141 WeakPolarHBondContact O-CB 3.4Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.41Å; L137-L141 PolarHBondContact O-N 3.43Å
138	H	94	Very high	88.5	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-34.2	179.3	-69.8	93.9	0	0	0	112.2	M134 L141 A142 T164 P180 C181 V184	M134-H138 PolarHBondContact O-N 3.46Å; M134-H138 VanDerWaalsContact O-N 3.11Å; M134-H138 PolarHBondContact O-ND1 3.41Å; H138-L141 PolarHBondContact O-N 3.26Å; H138-A142 VanDerWaalsContact O-CB 3.28Å; H138-A142 WeakPolarHBondContact O-CB 3.46Å; H138-A142 PolarHBondContact O-N 3Å; H138-T164 PolarHBondContact NE2-OG1 3.04Å; H138-P180 HydrophobicContact CB-CB 3.93Å; H138-P180 HydrophobicContact CB-CG 4.23Å; H138-C181 VanDerWaalsContact CG-SG 3.52Å; H138-V184 HydrophobicContact CB-CG2 4.32Å; H138-V184 WeakPolarHBondContact O-CG2 3.47Å
139	S	93.1	Very high	89.1	Confident	33 Å²	33	47.6 Å²	47.6	23%	0.231	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-45	174.5	-178.5	0	0	0	0	111.8	L135 Q136 L137 A142 K143	L135-S139 VanDerWaalsContact O-CB 3.24Å; L135-S139 WeakPolarHBondContact O-CB 3.46Å; L135-S139 PolarHBondContact O-N 3.42Å; Q136-S139 PolarHBondContact O-N 3.5Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 2.79Å; S139-A142 PolarHBondContact O-N 2.97Å; S139-K143 WeakPolarHBondContact O-CG 3.18Å; S139-K143 PolarHBondContact O-N 2.93Å
140	L	92.2	Very high	89.5	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-40.4	176.7	-97	164.4	0	0	0	113.1	M89 L92 L96 L116 Q136 L137 A142 K143 V144	M89-L140 HydrophobicContact CB-CD1 4.4Å; M89-L140 HydrophobicContact CE-CB 4.18Å; M89-L140 HydrophobicContact CE-CD1 3.5Å; M89-L140 HydrophobicContact CE-CG 4.44Å; M89-L140 VanDerWaalsContact O-CD1 3.31Å; M89-L140 WeakPolarHBondContact O-CD1 3.34Å; M89-L140 HydrophobicContact SD-CD1 3.84Å; L92-L140 HydrophobicContact CB-CD1 3.72Å; L92-L140 HydrophobicContact CB-CD2 4.16Å; L96-L140 HydrophobicContact CD1-CD2 3.58Å; L116-L140 HydrophobicContact CD1-CB 4.21Å; Q136-L140 PolarHBondContact O-N 3.17Å; L137-L140 PolarHBondContact O-N 2.59Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 2.88Å; L140-K143 PolarHBondContact O-N 3.02Å; L140-V144 WeakPolarHBondContact O-CG2 3.4Å; L140-V144 PolarHBondContact O-N 2.97Å
141	L	93.9	Very high	90	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-37.5	173.9	-74.5	170.6	0	0	0	112.1	L116 F117 L120 L137 H138 V144 G145 F151 V184	L116-L141 HydrophobicContact CB-CD2 3.65Å; L116-L141 HydrophobicContact CB-CG 4.17Å; L116-L141 HydrophobicContact CD1-CD2 4.01Å; L116-L141 HydrophobicContact CD1-CG 4.36Å; F117-L141 HydrophobicContact CD1-CD1 4.06Å; F117-L141 HydrophobicContact CD1-CD2 3.86Å; F117-L141 HydrophobicContact CE1-CD1 3.95Å; F117-L141 HydrophobicContact CE1-CD2 3.5Å; F117-L141 HydrophobicContact CE1-CG 4.35Å; F117-L141 HydrophobicContact CZ-CD2 3.98Å; L120-L141 HydrophobicContact CD2-CD1 3.71Å; L137-L141 WeakPolarHBondContact O-CB 3.4Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.41Å; L137-L141 PolarHBondContact O-N 3.43Å; H138-L141 PolarHBondContact O-N 3.26Å; L141-V144 PolarHBondContact O-N 2.99Å; L141-G145 PolarHBondContact O-N 3.36Å; L141-F151 HydrophobicContact CB-CE2 4.46Å; L141-F151 HydrophobicContact CB-CZ 4.16Å; L141-F151 HydrophobicContact CD2-CE2 3.86Å; L141-F151 HydrophobicContact CD2-CZ 4.2Å; L141-V184 HydrophobicContact CB-CG2 3.66Å
142	A	91.8	Very high	90.3	Very high	12 Å²	12	46.2 Å²	46.2	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-36.8	174.3	0	0	0	0	0	113	H138 S139 L140 P146 Q183 V184	H138-A142 VanDerWaalsContact O-CB 3.28Å; H138-A142 WeakPolarHBondContact O-CB 3.46Å; H138-A142 PolarHBondContact O-N 3Å; S139-A142 PolarHBondContact O-N 2.97Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 2.88Å; A142-P146 VanDerWaalsContact O-CD 3.3Å; A142-P146 WeakPolarHBondContact O-CD 3.23Å; A142-Q183 HydrophobicContact CB-CB 3.64Å; A142-V184 HydrophobicContact CB-CG2 4.06Å
143	K	89.6	Confident	90.5	Very high	73 Å²	73	43.4 Å²	43.4	32%	0.317	21%	0.208	S	C	.	.	H	α-helix	trans	-69.3	-41.6	174.4	-70	176.4	-174.3	-172.8	0	112.6	S93 T97 S139 L140	S93-K143 PolarHBondContact O-NZ 3.44Å; S93-K143 PolarHBondContact OG-NZ 2.86Å; T97-K143 PolarHBondContact OG1-NZ 2.87Å; S139-K143 WeakPolarHBondContact O-CG 3.18Å; S139-K143 PolarHBondContact O-N 2.93Å; L140-K143 PolarHBondContact O-N 3.02Å
144	V	91.1	Very high	90.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-81.2	-41.6	-173.6	173.6	0	0	0	0	112.5	L96 V104 F107 V108 L140 L141 P146 K147	L96-V144 HydrophobicContact CD1-CG2 3.87Å; V104-V144 HydrophobicContact CG1-CB 4.37Å; V104-V144 HydrophobicContact CG1-CG1 4.24Å; V104-V144 HydrophobicContact CG1-CG2 4.38Å; F107-V144 HydrophobicContact CD1-CG1 3.85Å; F107-V144 HydrophobicContact CD1-CG2 3.78Å; F107-V144 HydrophobicContact CE1-CB 4.41Å; F107-V144 HydrophobicContact CE1-CG1 3.91Å; F107-V144 HydrophobicContact CE1-CG2 3.71Å; V108-V144 HydrophobicContact CG2-CG1 3.66Å; L140-V144 WeakPolarHBondContact O-CG2 3.4Å; L140-V144 PolarHBondContact O-N 2.97Å; L141-V144 PolarHBondContact O-N 2.99Å; V144-P146 VanDerWaalsContact C-CD 3.44Å; V144-K147 PolarHBondContact O-N 3.46Å; V144-K147 VanDerWaalsContact O-N 3.1Å
145	G	89.8	Confident	90.9	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.031	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-52.8	-41.2	-168.7	0	0	0	0	0	116.6	L141 K147 D148 F151	L141-G145 PolarHBondContact O-N 3.36Å; G145-K147 PolarHBondContact O-N 2.97Å; G145-D148 PolarHBondContact O-N 2.93Å; G145-F151 VanDerWaalsContact CA-CE2 3.46Å
146	P	88	Confident	90.9	Very high	71 Å²	71	47.9 Å²	47.9	46%	0.461	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-65	-9.6	-179.2	-22.7	35.5	0	0	0	115.1	A142 V144 I187	A142-P146 VanDerWaalsContact O-CD 3.3Å; A142-P146 WeakPolarHBondContact O-CD 3.23Å; V144-P146 VanDerWaalsContact C-CD 3.44Å; P146-I187 HydrophobicContact CG-CD1 3.87Å; P146-I187 HydrophobicContact CG-CG1 4.26Å
147	K	87.5	Confident	91	Very high	121 Å²	121	52.4 Å²	52.4	53%	0.526	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-118.5	9.6	177.6	-58.2	-61.6	174.1	-166.2	0	113.5	V104 V144 G145	V104-K147 HydrophobicContact CG1-CB 4.04Å; V144-K147 PolarHBondContact O-N 3.46Å; V144-K147 VanDerWaalsContact O-N 3.1Å; G145-K147 PolarHBondContact O-N 2.97Å
148	D	90.3	Very high	90.9	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.064	26%	0.262	C	S	.	.			trans	-111.1	99.2	171	-177.5	-8.7	0	0	0	110.8	V108 T113 G145 K150 F151 K154	V108-D148 HydrophobicContact CG1-CB 3.79Å; V108-D148 HydrophobicContact CG2-CB 3.85Å; T113-D148 WeakPolarHBondContact CB-OD2 3.39Å; T113-D148 VanDerWaalsContact CG2-OD2 3.25Å; T113-D148 WeakPolarHBondContact CG2-OD2 3.27Å; T113-D148 PolarHBondContact OG1-OD2 3.36Å; G145-D148 PolarHBondContact O-N 2.93Å; D148-K150 PolarHBondContact O-N 2.73Å; D148-K150 PolarHBondContact OD1-N 3.27Å; D148-F151 HydrophobicContact CB-CB 4.08Å; D148-F151 WeakPolarHBondContact O-CB 3.44Å; D148-F151 PolarHBondContact O-N 3.23Å; D148-F151 PolarHBondContact OD1-N 3Å; D148-K154 IonicContact OD1-NZ 3.38Å; D148-K154 PolarHBondContact OD1-NZ 3.48Å; D148-K154 IonicContact OD2-NZ 3.82Å; D148-K154 PolarHBondContact OD2-NZ 3.17Å
149	R	88.1	Confident	90.7	Very high	258 Å²	258	56 Å²	56	97%	0.974	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-15.6	178.9	-69.4	-175.3	177.9	-179.3	-3	114.3
150	K	89.4	Confident	90.7	Very high	148 Å²	148	54.4 Å²	54.4	64%	0.643	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	6.3	177.5	-64.2	-173.8	178.4	-177.3	0	113.3	D148 G152 V153 K154	D148-K150 PolarHBondContact O-N 2.73Å; D148-K150 PolarHBondContact OD1-N 3.27Å; K150-G152 PolarHBondContact O-N 3.13Å; K150-V153 PolarHBondContact O-N 2.74Å; K150-K154 HydrophobicContact CB-CD 4.33Å; K150-K154 HydrophobicContact CB-CG 4.45Å; K150-K154 WeakPolarHBondContact O-CG 3.43Å; K150-K154 PolarHBondContact O-N 2.76Å
151	F	93.1	Very high	90.6	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.013	27%	0.266	C	S	.	.	H	α-helix	trans	-51.6	-54.3	-175.3	-171.8	-100.4	0	0	0	113.5	T113 F117 L141 G145 D148 V153 K154 A155 V184 I187 Y188	T113-F151 HydrophobicContact CG2-CD2 3.48Å; T113-F151 VanDerWaalsContact CG2-CD2 3.48Å; T113-F151 HydrophobicContact CG2-CE2 3.86Å; F117-F151 HydrophobicContact CE1-CE2 4.27Å; F117-F151 HydrophobicContact CE1-CZ 4.23Å; F117-F151 HydrophobicContact CE2-CD2 4.33Å; F117-F151 HydrophobicContact CE2-CE2 4.4Å; F117-F151 HydrophobicContact CZ-CD1 4.47Å; F117-F151 AromaticContact CZ-CD2 3.86Å; F117-F151 HydrophobicContact CZ-CD2 3.86Å; F117-F151 HydrophobicContact CZ-CE1 4.26Å; F117-F151 AromaticContact CZ-CE2 3.59Å; F117-F151 HydrophobicContact CZ-CE2 3.59Å; F117-F151 HydrophobicContact CZ-CG 4.31Å; F117-F151 AromaticContact CZ-CZ 3.82Å; F117-F151 HydrophobicContact CZ-CZ 3.82Å; L141-F151 HydrophobicContact CB-CE2 4.46Å; L141-F151 HydrophobicContact CB-CZ 4.16Å; L141-F151 HydrophobicContact CD2-CE2 3.86Å; L141-F151 HydrophobicContact CD2-CZ 4.2Å; G145-F151 VanDerWaalsContact CA-CE2 3.46Å; D148-F151 HydrophobicContact CB-CB 4.08Å; D148-F151 WeakPolarHBondContact O-CB 3.44Å; D148-F151 PolarHBondContact O-N 3.23Å; D148-F151 PolarHBondContact OD1-N 3Å; F151-V153 VanDerWaalsContact C-N 3.32Å; F151-V153 PolarHBondContact O-N 2.76Å; F151-K154 PolarHBondContact O-N 2.71Å; F151-A155 WeakPolarHBondContact O-CB 3.44Å; F151-A155 PolarHBondContact O-N 3.27Å; F151-V184 HydrophobicContact CE1-CG1 4.46Å; F151-V184 HydrophobicContact CZ-CG1 4.44Å; F151-I187 HydrophobicContact CD1-CB 4.21Å; F151-I187 HydrophobicContact CD1-CG2 3.45Å; F151-I187 VanDerWaalsContact CD1-CG2 3.45Å; F151-I187 HydrophobicContact CE1-CB 3.99Å; F151-I187 HydrophobicContact CE1-CG2 3.69Å; F151-I187 HydrophobicContact CG-CG2 4.22Å; F151-Y188 AromaticContact CD1-CD1 3.87Å; F151-Y188 HydrophobicContact CD1-CD1 3.87Å; F151-Y188 HydrophobicContact CD1-CE1 4.06Å; F151-Y188 AromaticContact CE1-CD1 3.46Å; F151-Y188 HydrophobicContact CE1-CD1 3.46Å; F151-Y188 VanDerWaalsContact CE1-CD1 3.46Å; F151-Y188 AromaticContact CE1-CE1 3.39Å; F151-Y188 HydrophobicContact CE1-CE1 3.39Å; F151-Y188 HydrophobicContact CZ-CD1 4.45Å; F151-Y188 AromaticContact CZ-CE1 3.95Å; F151-Y188 HydrophobicContact CZ-CE1 3.95Å
152	G	89.9	Confident	90.4	Very high	11 Å²	11	58.5 Å²	58.5	11%	0.113	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-37.4	-179.5	0	0	0	0	0	113.4	K150 R156 N194	K150-G152 PolarHBondContact O-N 3.13Å; G152-R156 PolarHBondContact O-N 3.13Å; G152-R156 VanDerWaalsContact O-N 3.15Å; G152-N194 VanDerWaalsContact C-ND2 3.3Å; G152-N194 WeakPolarHBondContact CA-ND2 3.13Å; G152-N194 PolarHBondContact O-ND2 3.47Å
153	V	90.6	Very high	90.5	Very high	56 Å²	56	58.9 Å²	58.9	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-69.5	-44.1	177.6	-177.3	0	0	0	0	110.7	K150 F151 A155 R156 L157	K150-V153 PolarHBondContact O-N 2.74Å; F151-V153 VanDerWaalsContact C-N 3.32Å; F151-V153 PolarHBondContact O-N 2.76Å; V153-A155 PolarHBondContact O-N 3.04Å; V153-R156 PolarHBondContact O-N 3.46Å; V153-L157 HydrophobicContact CG1-CD1 3.85Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 WeakPolarHBondContact O-CB 3.45Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 3.48Å
154	K	92.3	Very high	90.6	Very high	61 Å²	61	55.4 Å²	55.4	27%	0.265	27%	0.273	S	S	.	.	H	α-helix	trans	-59	-44.4	174.4	-71.5	167.5	176.7	169.9	0	111.8	T113 F117 D148 K150 F151 R156 L157 S158	T113-K154 HydrophobicContact CG2-CD 4.28Å; F117-K154 HydrophobicContact CD2-CB 3.96Å; F117-K154 HydrophobicContact CE2-CB 3.65Å; D148-K154 IonicContact OD1-NZ 3.38Å; D148-K154 PolarHBondContact OD1-NZ 3.48Å; D148-K154 IonicContact OD2-NZ 3.82Å; D148-K154 PolarHBondContact OD2-NZ 3.17Å; K150-K154 HydrophobicContact CB-CD 4.33Å; K150-K154 HydrophobicContact CB-CG 4.45Å; K150-K154 WeakPolarHBondContact O-CG 3.43Å; K150-K154 PolarHBondContact O-N 2.76Å; F151-K154 PolarHBondContact O-N 2.71Å; K154-R156 VanDerWaalsContact C-N 3.34Å; K154-R156 PolarHBondContact O-N 2.97Å; K154-L157 PolarHBondContact O-N 2.92Å; K154-S158 WeakPolarHBondContact O-CB 3.35Å; K154-S158 PolarHBondContact O-N 3.37Å; K154-S158 PolarHBondContact O-OG 2.93Å
155	A	92.4	Very high	90.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-35.7	179.2	0	0	0	0	0	113.4	F117 F151 V153 S158 G159 A160 L161 Y188	F117-A155 HydrophobicContact CE1-CB 3.98Å; F117-A155 HydrophobicContact CE2-CB 4.07Å; F117-A155 HydrophobicContact CZ-CB 3.63Å; F151-A155 WeakPolarHBondContact O-CB 3.44Å; F151-A155 PolarHBondContact O-N 3.27Å; V153-A155 PolarHBondContact O-N 3.04Å; A155-S158 PolarHBondContact O-OG 3.29Å; A155-G159 PolarHBondContact O-N 3.17Å; A155-A160 PolarHBondContact O-N 3.03Å; A155-L161 PolarHBondContact O-N 3.1Å; A155-Y188 HydrophobicContact CB-CD1 3.65Å; A155-Y188 HydrophobicContact CB-CE1 3.22Å; A155-Y188 HydrophobicContact CB-CG 4.46Å
156	R	90.8	Very high	90.8	Very high	99 Å²	99	58.6 Å²	58.6	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-72.7	-47.7	175.4	-174.1	179.1	69	-144.3	10.3	112.1	G152 V153 K154 S158 G159 N191 N194	G152-R156 PolarHBondContact O-N 3.13Å; G152-R156 VanDerWaalsContact O-N 3.15Å; V153-R156 PolarHBondContact O-N 3.46Å; K154-R156 VanDerWaalsContact C-N 3.34Å; K154-R156 PolarHBondContact O-N 2.97Å; R156-S158 VanDerWaalsContact C-N 3.32Å; R156-S158 PolarHBondContact O-N 3.33Å; R156-G159 PolarHBondContact O-N 3.43Å; R156-N191 PolarHBondContact NH1-OD1 2.88Å; R156-N194 WeakPolarHBondContact CD-OD1 3.17Å; R156-N194 PolarHBondContact NH1-OD1 3.47Å
157	L	90.3	Very high	90.9	Very high	139 Å²	139	55.6 Å²	55.6	73%	0.728	27%	0.27	S	S	*	.	H	α-helix	trans	-68.9	-29.3	-177.1	-69.8	176.2	0	0	0	113.3	V153 K154	V153-L157 HydrophobicContact CG1-CD1 3.85Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 WeakPolarHBondContact O-CB 3.45Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 3.48Å; K154-L157 PolarHBondContact O-N 2.92Å
158	S	89.9	Confident	91.1	Very high	47 Å²	47	49.9 Å²	49.9	33%	0.329	25%	0.245	S	C	.	.	H	α-helix	trans	-79.4	-26.1	173.5	59.8	0	0	0	0	113	I121 K154 A155 R156 A160	I121-S158 WeakPolarHBondContact CD1-O 3.22Å; K154-S158 WeakPolarHBondContact O-CB 3.35Å; K154-S158 PolarHBondContact O-N 3.37Å; K154-S158 PolarHBondContact O-OG 2.93Å; A155-S158 PolarHBondContact O-OG 3.29Å; R156-S158 VanDerWaalsContact C-N 3.32Å; R156-S158 PolarHBondContact O-N 3.33Å; S158-A160 WeakPolarHBondContact OG-CB 3.45Å; S158-A160 PolarHBondContact OG-N 3.48Å
159	G	90.8	Very high	91.1	Very high	28 Å²	28	53.2 Å²	53.2	29%	0.289	26%	0.259	S	S	.	.	S	Bend	trans	89	-2.1	-171.6	0	0	0	0	0	114.4	A155 R156 L161 N162	A155-G159 PolarHBondContact O-N 3.17Å; R156-G159 PolarHBondContact O-N 3.43Å; G159-L161 PolarHBondContact O-N 2.92Å; G159-L161 VanDerWaalsContact O-N 3.07Å; G159-N162 PolarHBondContact O-N 3Å
160	A	92.4	Very high	91.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-26.4	176.8	0	0	0	0	0	113.7	F117 L120 I121 A155 S158 N162 V163 T164	F117-A160 HydrophobicContact CB-CB 4.04Å; F117-A160 HydrophobicContact CD1-CB 3.43Å; F117-A160 VanDerWaalsContact CD1-CB 3.43Å; F117-A160 HydrophobicContact CE1-CB 4.12Å; F117-A160 HydrophobicContact CG-CB 3.93Å; L120-A160 HydrophobicContact CD2-CB 4.12Å; I121-A160 HydrophobicContact CD1-CB 4.15Å; I121-A160 HydrophobicContact CG1-CB 4.24Å; A155-A160 PolarHBondContact O-N 3.03Å; S158-A160 WeakPolarHBondContact OG-CB 3.45Å; S158-A160 PolarHBondContact OG-N 3.48Å; A160-N162 VanDerWaalsContact C-N 3.31Å; A160-N162 PolarHBondContact O-N 3.13Å; A160-V163 PolarHBondContact O-N 1.93Å; A160-T164 PolarHBondContact O-N 2.86Å; A160-T164 VanDerWaalsContact O-N 3.08Å; A160-T164 PolarHBondContact O-OG1 3.19Å
161	L	90.5	Very high	91.1	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-54.6	-43.3	173.3	-174.5	152.9	0	0	0	112.6	A155 G159 V165 Y188 N194 L198	A155-L161 PolarHBondContact O-N 3.1Å; G159-L161 PolarHBondContact O-N 2.92Å; G159-L161 VanDerWaalsContact O-N 3.07Å; L161-V165 HydrophobicContact CD2-CG2 4.42Å; L161-V165 WeakPolarHBondContact O-CG2 3.42Å; L161-V165 PolarHBondContact O-N 3.12Å; L161-Y188 HydrophobicContact CB-CD2 4.43Å; L161-Y188 HydrophobicContact CB-CE2 4.33Å; L161-Y188 HydrophobicContact CG-CD2 4.18Å; L161-N194 HydrophobicContact CD1-CB 3.9Å; L161-L198 HydrophobicContact CD1-CD2 4.41Å; L161-L198 HydrophobicContact CD1-CG 4.29Å; L161-L198 HydrophobicContact CD2-CD2 3.54Å; L161-L198 HydrophobicContact CD2-CG 4.06Å; L161-L198 HydrophobicContact CG-CD2 3.86Å; L161-L198 HydrophobicContact CG-CG 4.28Å
162	N	90.7	Very high	90.8	Very high	81 Å²	81	44.4 Å²	44.4	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-74.2	-34	178.9	-69.1	-14	0	0	0	111.9	G159 A160 V165 D166	G159-N162 PolarHBondContact O-N 3Å; A160-N162 VanDerWaalsContact C-N 3.31Å; A160-N162 PolarHBondContact O-N 3.13Å; N162-V165 WeakPolarHBondContact O-CB 3.39Å; N162-V165 PolarHBondContact O-N 3.31Å; N162-D166 PolarHBondContact O-N 3.28Å
163	V	92.5	Very high	90.6	Very high	20 Å²	20	52.8 Å²	52.8	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-48.7	175.8	176.7	0	0	0	0	111	L120 I121 S124 M134 A160 V165 D166 V167	L120-V163 HydrophobicContact CD1-CG1 3.82Å; L120-V163 HydrophobicContact CD2-CG1 4.46Å; L120-V163 HydrophobicContact CG-CB 4.42Å; L120-V163 HydrophobicContact CG-CG1 3.83Å; I121-V163 HydrophobicContact CG1-CG2 4.18Å; S124-V163 WeakPolarHBondContact OG-CG2 3.38Å; M134-V163 HydrophobicContact CE-CG1 3.76Å; A160-V163 PolarHBondContact O-N 1.93Å; V163-V165 VanDerWaalsContact C-N 3.31Å; V163-V165 PolarHBondContact O-N 3.35Å; V163-D166 PolarHBondContact O-N 3.06Å; V163-V167 HydrophobicContact CG1-CG2 4.47Å; V163-V167 VanDerWaalsContact O-CG2 3.25Å; V163-V167 WeakPolarHBondContact O-CG2 3.45Å; V163-V167 PolarHBondContact O-N 3.44Å
164	T	93.3	Very high	90.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-39.4	176	-55.8	0	0	0	0	112	H138 A160 D166 V168 C181 V184 L185 Y188	H138-T164 PolarHBondContact NE2-OG1 3.04Å; A160-T164 PolarHBondContact O-N 2.86Å; A160-T164 VanDerWaalsContact O-N 3.08Å; A160-T164 PolarHBondContact O-OG1 3.19Å; T164-D166 PolarHBondContact O-N 3.32Å; T164-V168 WeakPolarHBondContact O-CG2 3.49Å; T164-V168 PolarHBondContact O-N 2.65Å; T164-V168 VanDerWaalsContact O-N 3.08Å; T164-C181 HydrophobicContact CG2-CB 4.21Å; T164-V184 HydrophobicContact CG2-CG1 4.32Å; T164-L185 HydrophobicContact CG2-CD2 3.97Å; T164-L185 HydrophobicContact CG2-CG 3.85Å; T164-Y188 HydrophobicContact CG2-CE2 4.31Å; T164-Y188 PolarHBondContact OG1-OH 2.85Å
165	V	92.3	Very high	90	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-45.3	176.3	161.8	0	0	0	0	111.9	L161 N162 V163 V168 K169 L185 L198 M203	L161-V165 HydrophobicContact CD2-CG2 4.42Å; L161-V165 WeakPolarHBondContact O-CG2 3.42Å; L161-V165 PolarHBondContact O-N 3.12Å; N162-V165 WeakPolarHBondContact O-CB 3.39Å; N162-V165 PolarHBondContact O-N 3.31Å; V163-V165 VanDerWaalsContact C-N 3.31Å; V163-V165 PolarHBondContact O-N 3.35Å; V165-V168 PolarHBondContact O-N 3.01Å; V165-K169 HydrophobicContact CG1-CD 4.39Å; V165-K169 VanDerWaalsContact CG1-CE 3.49Å; V165-K169 VanDerWaalsContact CG1-NZ 3.32Å; V165-K169 WeakPolarHBondContact O-CG 3.33Å; V165-K169 PolarHBondContact O-N 2.71Å; V165-K169 VanDerWaalsContact O-N 3.11Å; V165-L185 HydrophobicContact CG2-CD2 4.41Å; V165-L198 HydrophobicContact CG2-CD2 3.36Å; V165-M203 HydrophobicContact CB-CE 4.4Å; V165-M203 HydrophobicContact CB-SD 4.09Å; V165-M203 HydrophobicContact CG1-CE 3.85Å; V165-M203 HydrophobicContact CG1-CG 4.46Å; V165-M203 HydrophobicContact CG1-SD 4.09Å; V165-M203 HydrophobicContact CG2-CG 3.86Å; V165-M203 HydrophobicContact CG2-SD 3.7Å
166	D	90.9	Very high	89.8	Confident	69 Å²	69	58.4 Å²	58.4	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-80.2	-31.9	-175.4	-65	-29.4	0	0	0	112.5	N162 V163 T164 V168 K169 Q170	N162-D166 PolarHBondContact O-N 3.28Å; V163-D166 PolarHBondContact O-N 3.06Å; T164-D166 PolarHBondContact O-N 3.32Å; D166-V168 VanDerWaalsContact C-N 3.32Å; D166-V168 PolarHBondContact O-N 2.94Å; D166-K169 PolarHBondContact O-N 2.99Å; D166-K169 WeakPolarHBondContact OD1-CD 3.35Å; D166-K169 IonicContact OD1-NZ 2.74Å; D166-K169 PolarHBondContact OD1-NZ 2.8Å; D166-Q170 VanDerWaalsContact O-CG 3.29Å; D166-Q170 WeakPolarHBondContact O-CG 3.26Å; D166-Q170 PolarHBondContact O-N 2.92Å
167	V	91.3	Very high	89.7	Confident	8 Å²	8	53.9 Å²	53.9	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-45.8	167.3	171.5	0	0	0	0	110.7	M134 V163 Q170 N171 V177	M134-V167 HydrophobicContact CE-CG2 3.45Å; M134-V167 VanDerWaalsContact CE-CG2 3.45Å; V163-V167 HydrophobicContact CG1-CG2 4.47Å; V163-V167 VanDerWaalsContact O-CG2 3.25Å; V163-V167 WeakPolarHBondContact O-CG2 3.45Å; V163-V167 PolarHBondContact O-N 3.44Å; V167-Q170 PolarHBondContact O-N 3.42Å; V167-N171 VanDerWaalsContact O-CB 3.28Å; V167-N171 WeakPolarHBondContact O-CB 3.07Å; V167-N171 PolarHBondContact O-N 3.27Å; V167-N171 PolarHBondContact O-ND2 2.62Å; V167-V177 HydrophobicContact CG1-CG1 3.86Å
168	V	92	Very high	89.7	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-44.6	177	166.1	0	0	0	0	111.7	T164 V165 D166 Q170 N171 L172 L178 C181 L185 M203 I206 I210	T164-V168 WeakPolarHBondContact O-CG2 3.49Å; T164-V168 PolarHBondContact O-N 2.65Å; T164-V168 VanDerWaalsContact O-N 3.08Å; V165-V168 PolarHBondContact O-N 3.01Å; D166-V168 VanDerWaalsContact C-N 3.32Å; D166-V168 PolarHBondContact O-N 2.94Å; V168-Q170 VanDerWaalsContact C-N 3.28Å; V168-Q170 PolarHBondContact O-N 3.45Å; V168-N171 PolarHBondContact O-N 2.96Å; V168-L172 HydrophobicContact CG1-CD2 4.41Å; V168-L172 WeakPolarHBondContact O-CD2 3.34Å; V168-L178 HydrophobicContact CB-CD1 4.29Å; V168-L178 HydrophobicContact CG1-CD1 3.83Å; V168-L178 HydrophobicContact CG2-CD1 3.97Å; V168-C181 HydrophobicContact CG2-CB 3.51Å; V168-L185 HydrophobicContact CG2-CD1 3.95Å; V168-M203 HydrophobicContact CG1-CE 4.29Å; V168-I206 HydrophobicContact CG1-CG2 3.89Å; V168-I210 HydrophobicContact CG1-CD1 4.47Å
169	K	90.7	Very high	89.8	Confident	83 Å²	83	47.3 Å²	47.3	36%	0.361	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-38.8	176	-74.7	169	-167.3	162.6	0	113	V165 D166 M203 I206	V165-K169 HydrophobicContact CG1-CD 4.39Å; V165-K169 VanDerWaalsContact CG1-CE 3.49Å; V165-K169 VanDerWaalsContact CG1-NZ 3.32Å; V165-K169 WeakPolarHBondContact O-CG 3.33Å; V165-K169 PolarHBondContact O-N 2.71Å; V165-K169 VanDerWaalsContact O-N 3.11Å; D166-K169 PolarHBondContact O-N 2.99Å; D166-K169 WeakPolarHBondContact OD1-CD 3.35Å; D166-K169 IonicContact OD1-NZ 2.74Å; D166-K169 PolarHBondContact OD1-NZ 2.8Å; K169-M203 HydrophobicContact CG-CE 4.29Å; K169-I206 HydrophobicContact CD-CD1 4.25Å; K169-I206 HydrophobicContact CG-CD1 3.58Å
170	Q	89	Confident	89.9	Confident	134 Å²	134	46.5 Å²	46.5	63%	0.626	23%	0.231	S	C	*	.	H	α-helix	trans	-78.6	-28.3	-178.7	-67.7	168.5	12.5	0	0	112.7	D166 V167 V168	D166-Q170 VanDerWaalsContact O-CG 3.29Å; D166-Q170 WeakPolarHBondContact O-CG 3.26Å; D166-Q170 PolarHBondContact O-N 2.92Å; V167-Q170 PolarHBondContact O-N 3.42Å; V168-Q170 VanDerWaalsContact C-N 3.28Å; V168-Q170 PolarHBondContact O-N 3.45Å
171	N	88	Confident	90	Very high	24 Å²	24	46.5 Å²	46.5	13%	0.128	23%	0.231	C	C	.	.			trans	-109.9	25.3	-167.4	-74.5	-87.9	0	0	0	115	V167 V168 Q173 N174 V177	V167-N171 VanDerWaalsContact O-CB 3.28Å; V167-N171 WeakPolarHBondContact O-CB 3.07Å; V167-N171 PolarHBondContact O-N 3.27Å; V167-N171 PolarHBondContact O-ND2 2.62Å; V168-N171 PolarHBondContact O-N 2.96Å; N171-Q173 PolarHBondContact O-N 2.76Å; N171-N174 HydrophobicContact CB-CB 4.18Å; N171-N174 PolarHBondContact O-N 3.01Å; N171-V177 HydrophobicContact CB-CB 4.42Å; N171-V177 HydrophobicContact CB-CG1 4.22Å
172	L	87.1	Confident	90.2	Very high	66 Å²	66	46.2 Å²	46.2	35%	0.346	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26	-174.4	-61.8	176.7	0	0	0	115.1	V168 I206 I210	V168-L172 HydrophobicContact CG1-CD2 4.41Å; V168-L172 WeakPolarHBondContact O-CD2 3.34Å; L172-I206 HydrophobicContact CD2-CG2 3.73Å; L172-I210 HydrophobicContact CD2-CD1 3.99Å; L172-I210 HydrophobicContact CD2-CG1 4.11Å
173	Q	84.1	Confident	90.4	Very high	186 Å²	186	45.4 Å²	45.4	87%	0.869	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-12.9	176.7	-57.7	-60.5	-27.6	0	0	113.6	N171 S175	N171-Q173 PolarHBondContact O-N 2.76Å; Q173-S175 PolarHBondContact O-N 2.73Å
174	N	87.6	Confident	90.6	Very high	39 Å²	39	44.5 Å²	44.5	21%	0.209	22%	0.218	C	C	.	.			trans	-94.2	82	-175.6	-171.8	-12.8	0	0	0	110.5	E131 N171 K176 V177 L178	E131-N174 PolarHBondContact OE2-ND2 2.73Å; N171-N174 HydrophobicContact CB-CB 4.18Å; N171-N174 PolarHBondContact O-N 3.01Å; N174-K176 PolarHBondContact O-N 3.39Å; N174-V177 WeakPolarHBondContact ND2-CG2 3.39Å; N174-V177 PolarHBondContact O-N 3.38Å; N174-V177 VanDerWaalsContact O-N 3.17Å; N174-L178 VanDerWaalsContact O-CB 3.31Å; N174-L178 WeakPolarHBondContact O-CB 3.46Å; N174-L178 PolarHBondContact O-N 3.09Å
175	S	83.8	Confident	90.6	Very high	39 Å²	39	44.5 Å²	44.5	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-57.7	-24.2	-175.7	62.2	0	0	0	0	114.6	Q173 L179	Q173-S175 PolarHBondContact O-N 2.73Å; S175-L179 WeakPolarHBondContact O-CB 3.49Å; S175-L179 PolarHBondContact O-N 2.86Å
176	K	87.5	Confident	90.7	Very high	157 Å²	157	48.4 Å²	48.4	68%	0.683	23%	0.232	S	C	*	.	H	α-helix	trans	-67.4	-51.4	176.2	-67.8	-178.7	178.7	178.7	0	111.5	L135 N174 P180	L135-K176 WeakPolarHBondContact CD1-O 3.36Å; N174-K176 PolarHBondContact O-N 3.39Å; K176-P180 WeakPolarHBondContact O-CD 3.48Å
177	V	88.6	Confident	90.9	Very high	4 Å²	4	46 Å²	46	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-39.5	179.2	177.3	0	0	0	0	110.8	L135 V167 N171 N174 L179 P180 C181	L135-V177 HydrophobicContact CD1-CG2 4.49Å; V167-V177 HydrophobicContact CG1-CG1 3.86Å; N171-V177 HydrophobicContact CB-CB 4.42Å; N171-V177 HydrophobicContact CB-CG1 4.22Å; N174-V177 WeakPolarHBondContact ND2-CG2 3.39Å; N174-V177 PolarHBondContact O-N 3.38Å; N174-V177 VanDerWaalsContact O-N 3.17Å; V177-L179 PolarHBondContact O-N 2.83Å; V177-P180 WeakPolarHBondContact O-CD 3.37Å; V177-P180 WeakPolarHBondContact O-CG 3.47Å; V177-C181 PolarHBondContact O-N 3.19Å; V177-C181 PolarHBondContact O-SG 3.22Å
178	L	90.9	Very high	91	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-36.5	-175.1	-173.6	58	0	0	0	113.3	V168 N174 C181 L182 I210 L221	V168-L178 HydrophobicContact CB-CD1 4.29Å; V168-L178 HydrophobicContact CG1-CD1 3.83Å; V168-L178 HydrophobicContact CG2-CD1 3.97Å; N174-L178 VanDerWaalsContact O-CB 3.31Å; N174-L178 WeakPolarHBondContact O-CB 3.46Å; N174-L178 PolarHBondContact O-N 3.09Å; L178-C181 PolarHBondContact O-N 3.05Å; L178-L182 HydrophobicContact CD1-CD1 4.17Å; L178-L182 HydrophobicContact CD1-CG 4.12Å; L178-L182 HydrophobicContact CG-CD1 3.86Å; L178-L182 HydrophobicContact CG-CG 4.3Å; L178-L182 WeakPolarHBondContact O-CG 3.16Å; L178-L182 PolarHBondContact O-N 3.48Å; L178-I210 HydrophobicContact CD1-CD1 3.97Å; L178-I210 HydrophobicContact CD2-CD1 3.93Å; L178-I210 HydrophobicContact CD2-CG1 4.17Å; L178-I210 HydrophobicContact CD2-CG2 4.34Å; L178-I210 HydrophobicContact CG-CD1 4.42Å; L178-L221 HydrophobicContact CB-CD1 4.23Å; L178-L221 HydrophobicContact CD2-CD1 4.29Å; L178-L221 HydrophobicContact CD2-CD2 4.24Å; L178-L221 HydrophobicContact CG-CD1 4.06Å
179	L	92.2	Very high	91.1	Very high	48 Å²	48	45.7 Å²	45.7	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-57.3	-57.9	-178.2	179.6	68	0	0	0	113.8	S175 V177 C181 L182 Q183 L221 V224	S175-L179 WeakPolarHBondContact O-CB 3.49Å; S175-L179 PolarHBondContact O-N 2.86Å; V177-L179 PolarHBondContact O-N 2.83Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 2.98Å; L179-L182 PolarHBondContact O-N 2.56Å; L179-Q183 WeakPolarHBondContact O-CG 3.44Å; L179-Q183 PolarHBondContact O-N 2.89Å; L179-Q183 VanDerWaalsContact O-N 3.13Å; L179-L221 HydrophobicContact CB-CD1 3.97Å; L179-L221 HydrophobicContact CD1-CD1 4.22Å; L179-V224 HydrophobicContact CD1-CB 3.94Å; L179-V224 HydrophobicContact CD1-CG1 4.21Å; L179-V224 HydrophobicContact CD1-CG2 3.82Å
180	P	93.1	Very high	91	Very high	10 Å²	10	47.9 Å²	47.9	7%	0.065	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-29.5	177.8	27.3	-34.7	0	0	0	112.8	L135 H138 K176 V177 L182 Q183 V184	L135-P180 HydrophobicContact CD1-CG 3.96Å; H138-P180 HydrophobicContact CB-CB 3.93Å; H138-P180 HydrophobicContact CB-CG 4.23Å; K176-P180 WeakPolarHBondContact O-CD 3.48Å; V177-P180 WeakPolarHBondContact O-CD 3.37Å; V177-P180 WeakPolarHBondContact O-CG 3.47Å; P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 3.34Å; P180-Q183 WeakPolarHBondContact O-CB 3.27Å; P180-Q183 PolarHBondContact O-N 3.45Å; P180-V184 WeakPolarHBondContact O-CG2 3.39Å; P180-V184 PolarHBondContact O-N 2.91Å
181	C	94.7	Very high	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-43	173.4	-65	0	0	0	0	111.6	H138 T164 V168 V177 L178 L179 V184 L185	H138-C181 VanDerWaalsContact CG-SG 3.52Å; T164-C181 HydrophobicContact CG2-CB 4.21Å; V168-C181 HydrophobicContact CG2-CB 3.51Å; V177-C181 PolarHBondContact O-N 3.19Å; V177-C181 PolarHBondContact O-SG 3.22Å; L178-C181 PolarHBondContact O-N 3.05Å; L179-C181 VanDerWaalsContact C-N 3.32Å; L179-C181 PolarHBondContact O-N 2.98Å; C181-V184 PolarHBondContact O-N 3.22Å; C181-L185 WeakPolarHBondContact O-CG 3.47Å; C181-L185 PolarHBondContact O-N 3.42Å
182	L	94.9	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-36.4	174.8	-69.3	166.6	0	0	0	112.4	L178 L179 P180 V184 L185 R186 I207 I210 L221 V224 A225	L178-L182 HydrophobicContact CD1-CD1 4.17Å; L178-L182 HydrophobicContact CD1-CG 4.12Å; L178-L182 HydrophobicContact CG-CD1 3.86Å; L178-L182 HydrophobicContact CG-CG 4.3Å; L178-L182 WeakPolarHBondContact O-CG 3.16Å; L178-L182 PolarHBondContact O-N 3.48Å; L179-L182 PolarHBondContact O-N 2.56Å; P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 3.34Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 PolarHBondContact O-N 2.95Å; L182-L185 HydrophobicContact CD2-CD1 4.31Å; L182-L185 PolarHBondContact O-N 3.04Å; L182-R186 PolarHBondContact O-N 3.41Å; L182-I207 HydrophobicContact CD2-CD1 4.24Å; L182-I207 HydrophobicContact CD2-CG1 3.98Å; L182-I210 HydrophobicContact CD2-CD1 4.45Å; L182-L221 HydrophobicContact CD1-CD1 3.85Å; L182-V224 HydrophobicContact CB-CG1 3.69Å; L182-A225 HydrophobicContact CD1-CB 3.95Å
183	Q	94.8	Very high	91.4	Very high	64 Å²	64	46.3 Å²	46.3	30%	0.299	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-42.3	172.6	-67.2	175.8	-21.1	0	0	111.7	A142 L179 P180 I187 V224	A142-Q183 HydrophobicContact CB-CB 3.64Å; L179-Q183 WeakPolarHBondContact O-CG 3.44Å; L179-Q183 PolarHBondContact O-N 2.89Å; L179-Q183 VanDerWaalsContact O-N 3.13Å; P180-Q183 WeakPolarHBondContact O-CB 3.27Å; P180-Q183 PolarHBondContact O-N 3.45Å; Q183-I187 WeakPolarHBondContact O-CD1 3.48Å; Q183-I187 WeakPolarHBondContact O-CG1 3.37Å; Q183-I187 PolarHBondContact O-N 2.87Å; Q183-V224 HydrophobicContact CB-CG1 4.47Å; Q183-V224 HydrophobicContact CG-CG1 3.6Å; Q183-V224 HydrophobicContact CG-CG2 4.34Å
184	V	95.3	Very high	91.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-44.7	175	171.8	0	0	0	0	111.4	H138 L141 A142 F151 T164 P180 C181 L182 R186 I187 Y188	H138-V184 HydrophobicContact CB-CG2 4.32Å; H138-V184 WeakPolarHBondContact O-CG2 3.47Å; L141-V184 HydrophobicContact CB-CG2 3.66Å; A142-V184 HydrophobicContact CB-CG2 4.06Å; F151-V184 HydrophobicContact CE1-CG1 4.46Å; F151-V184 HydrophobicContact CZ-CG1 4.44Å; T164-V184 HydrophobicContact CG2-CG1 4.32Å; P180-V184 WeakPolarHBondContact O-CG2 3.39Å; P180-V184 PolarHBondContact O-N 2.91Å; C181-V184 PolarHBondContact O-N 3.22Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 PolarHBondContact O-N 2.95Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 3.31Å; V184-I187 PolarHBondContact O-N 3.01Å; V184-I187 VanDerWaalsContact O-N 3.11Å; V184-Y188 HydrophobicContact CG1-CD1 4.09Å; V184-Y188 HydrophobicContact CG1-CD2 4.17Å; V184-Y188 HydrophobicContact CG1-CE1 3.5Å; V184-Y188 VanDerWaalsContact CG1-CE1 3.5Å; V184-Y188 HydrophobicContact CG1-CE2 3.6Å; V184-Y188 HydrophobicContact CG1-CG 4.39Å; V184-Y188 WeakPolarHBondContact CG1-OH 3.46Å; V184-Y188 PolarHBondContact O-N 3.34Å
185	L	94.8	Very high	92.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-39.2	176.7	-75.7	175.4	0	0	0	112.7	T164 V165 V168 C181 L182 I187 Y188 S189 L198 M203	T164-L185 HydrophobicContact CG2-CD2 3.97Å; T164-L185 HydrophobicContact CG2-CG 3.85Å; V165-L185 HydrophobicContact CG2-CD2 4.41Å; V168-L185 HydrophobicContact CG2-CD1 3.95Å; C181-L185 WeakPolarHBondContact O-CG 3.47Å; C181-L185 PolarHBondContact O-N 3.42Å; L182-L185 HydrophobicContact CD2-CD1 4.31Å; L182-L185 PolarHBondContact O-N 3.04Å; L185-I187 PolarHBondContact O-N 3.2Å; L185-Y188 HydrophobicContact CD2-CD2 4.12Å; L185-Y188 PolarHBondContact O-N 3Å; L185-S189 WeakPolarHBondContact O-CB 3.37Å; L185-S189 PolarHBondContact O-N 2.87Å; L185-S189 PolarHBondContact O-OG 3.27Å; L185-L198 HydrophobicContact CD2-CD1 4.23Å; L185-L198 HydrophobicContact CD2-CD2 3.72Å; L185-M203 HydrophobicContact CD1-SD 3.87Å; L185-M203 HydrophobicContact CD2-SD 4.34Å
186	R	94.5	Very high	92.6	Very high	82 Å²	82	36.3 Å²	36.3	31%	0.309	19%	0.187	S	C	.	.	H	α-helix	trans	-56.3	-50	172.5	-174.5	-178.7	70.3	172.4	9.2	111.1	L182 V184 Y188 S189 N190 D227 A228 A231	L182-R186 PolarHBondContact O-N 3.41Å; V184-R186 VanDerWaalsContact C-N 3.32Å; V184-R186 PolarHBondContact O-N 3.31Å; R186-Y188 PolarHBondContact O-N 3.43Å; R186-S189 WeakPolarHBondContact O-CB 3.48Å; R186-S189 PolarHBondContact O-N 3.13Å; R186-S189 VanDerWaalsContact O-N 3.13Å; R186-N190 PolarHBondContact O-N 2.97Å; R186-N190 PolarHBondContact O-OD1 3.28Å; R186-D227 VanDerWaalsContact CD-CB 3.47Å; R186-D227 HydrophobicContact CG-CB 4.48Å; R186-D227 IonicContact NH1-OD2 2.73Å; R186-D227 PolarHBondContact NH1-OD2 2.65Å; R186-A228 HydrophobicContact CB-CB 3.99Å; R186-A231 HydrophobicContact CG-CB 4.15Å
187	I	94	Very high	92.9	Very high	18 Å²	18	30.8 Å²	30.8	9%	0.092	17%	0.168	C	C	.	.	H	α-helix	trans	-67.9	-36.9	-178.9	-55.2	155.2	0	0	0	111.3	P146 F151 Q183 V184 L185 S189 N190	P146-I187 HydrophobicContact CG-CD1 3.87Å; P146-I187 HydrophobicContact CG-CG1 4.26Å; F151-I187 HydrophobicContact CD1-CB 4.21Å; F151-I187 HydrophobicContact CD1-CG2 3.45Å; F151-I187 VanDerWaalsContact CD1-CG2 3.45Å; F151-I187 HydrophobicContact CE1-CB 3.99Å; F151-I187 HydrophobicContact CE1-CG2 3.69Å; F151-I187 HydrophobicContact CG-CG2 4.22Å; Q183-I187 WeakPolarHBondContact O-CD1 3.48Å; Q183-I187 WeakPolarHBondContact O-CG1 3.37Å; Q183-I187 PolarHBondContact O-N 2.87Å; V184-I187 PolarHBondContact O-N 3.01Å; V184-I187 VanDerWaalsContact O-N 3.11Å; L185-I187 PolarHBondContact O-N 3.2Å; I187-S189 VanDerWaalsContact C-N 3.27Å; I187-S189 PolarHBondContact O-N 2.99Å; I187-N190 PolarHBondContact O-N 2.81Å
188	Y	94.5	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-38.9	171.5	-68.4	-13.7	0	0	0	111.9	F117 F151 A155 L161 T164 V184 L185 R186 N190 N191 N194	F117-Y188 AromaticContact CE1-CE1 3.98Å; F117-Y188 HydrophobicContact CE1-CE1 3.98Å; F117-Y188 WeakPolarHBondContact CE1-OH 3.33Å; F117-Y188 HydrophobicContact CZ-CE1 4.09Å; F151-Y188 AromaticContact CD1-CD1 3.87Å; F151-Y188 HydrophobicContact CD1-CD1 3.87Å; F151-Y188 HydrophobicContact CD1-CE1 4.06Å; F151-Y188 AromaticContact CE1-CD1 3.46Å; F151-Y188 HydrophobicContact CE1-CD1 3.46Å; F151-Y188 VanDerWaalsContact CE1-CD1 3.46Å; F151-Y188 AromaticContact CE1-CE1 3.39Å; F151-Y188 HydrophobicContact CE1-CE1 3.39Å; F151-Y188 HydrophobicContact CZ-CD1 4.45Å; F151-Y188 AromaticContact CZ-CE1 3.95Å; F151-Y188 HydrophobicContact CZ-CE1 3.95Å; A155-Y188 HydrophobicContact CB-CD1 3.65Å; A155-Y188 HydrophobicContact CB-CE1 3.22Å; A155-Y188 HydrophobicContact CB-CG 4.46Å; L161-Y188 HydrophobicContact CB-CD2 4.43Å; L161-Y188 HydrophobicContact CB-CE2 4.33Å; L161-Y188 HydrophobicContact CG-CD2 4.18Å; T164-Y188 HydrophobicContact CG2-CE2 4.31Å; T164-Y188 PolarHBondContact OG1-OH 2.85Å; V184-Y188 HydrophobicContact CG1-CD1 4.09Å; V184-Y188 HydrophobicContact CG1-CD2 4.17Å; V184-Y188 HydrophobicContact CG1-CE1 3.5Å; V184-Y188 VanDerWaalsContact CG1-CE1 3.5Å; V184-Y188 HydrophobicContact CG1-CE2 3.6Å; V184-Y188 HydrophobicContact CG1-CG 4.39Å; V184-Y188 WeakPolarHBondContact CG1-OH 3.46Å; V184-Y188 PolarHBondContact O-N 3.34Å; L185-Y188 HydrophobicContact CD2-CD2 4.12Å; L185-Y188 PolarHBondContact O-N 3Å; R186-Y188 PolarHBondContact O-N 3.43Å; Y188-N190 VanDerWaalsContact C-N 3.32Å; Y188-N190 PolarHBondContact O-N 2.96Å; Y188-N191 PolarHBondContact O-N 2.94Å; Y188-N194 WeakPolarHBondContact O-CB 3.44Å; Y188-N194 PolarHBondContact O-ND2 2.88Å
189	S	93.2	Very high	93.2	Very high	4 Å²	4	31 Å²	31	3%	0.028	17%	0.171	C	C	.	.	H	α-helix	trans	-74.3	-17.8	-174.8	-56.1	0	0	0	0	113.9	L185 R186 I187 N191 L198 L232	L185-S189 WeakPolarHBondContact O-CB 3.37Å; L185-S189 PolarHBondContact O-N 2.87Å; L185-S189 PolarHBondContact O-OG 3.27Å; R186-S189 WeakPolarHBondContact O-CB 3.48Å; R186-S189 PolarHBondContact O-N 3.13Å; R186-S189 VanDerWaalsContact O-N 3.13Å; I187-S189 VanDerWaalsContact C-N 3.27Å; I187-S189 PolarHBondContact O-N 2.99Å; S189-N191 PolarHBondContact O-N 2.91Å; S189-N191 VanDerWaalsContact O-N 3.09Å; S189-L198 WeakPolarHBondContact OG-CD1 3.41Å; S189-L232 WeakPolarHBondContact OG-CD2 3.34Å; S189-L232 WeakPolarHBondContact OG-CG 3.31Å
190	N	89	Confident	93.3	Very high	128 Å²	128	36.2 Å²	36.2	68%	0.684	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.2	169.4	-72.2	13.2	0	0	0	113.1	R186 I187 Y188	R186-N190 PolarHBondContact O-N 2.97Å; R186-N190 PolarHBondContact O-OD1 3.28Å; I187-N190 PolarHBondContact O-N 2.81Å; Y188-N190 VanDerWaalsContact C-N 3.32Å; Y188-N190 PolarHBondContact O-N 2.96Å
191	N	90.6	Very high	93.2	Very high	45 Å²	45	37.7 Å²	37.7	24%	0.241	20%	0.2	C	C	.	.	S	Bend	trans	-97.6	119.5	164.5	-178.9	-102.4	0	0	0	110.3	R156 Y188 S189 V193 N194 A195	R156-N191 PolarHBondContact NH1-OD1 2.88Å; Y188-N191 PolarHBondContact O-N 2.94Å; S189-N191 PolarHBondContact O-N 2.91Å; S189-N191 VanDerWaalsContact O-N 3.09Å; N191-V193 VanDerWaalsContact C-N 3.33Å; N191-V193 PolarHBondContact O-N 3.13Å; N191-V193 PolarHBondContact OD1-N 2.78Å; N191-N194 HydrophobicContact CB-CB 4.1Å; N191-N194 WeakPolarHBondContact O-CA 3.43Å; N191-N194 WeakPolarHBondContact O-CB 3.1Å; N191-N194 PolarHBondContact O-N 2.78Å; N191-N194 PolarHBondContact OD1-N 2.79Å; N191-N194 PolarHBondContact OD1-OD1 3.04Å; N191-A195 PolarHBondContact O-N 2.98Å
192	S	88.7	Confident	93.1	Very high	72 Å²	72	38.9 Å²	38.9	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-51.6	-44.9	-176.7	55.4	0	0	0	0	113.9	N194 A195 I196	S192-N194 PolarHBondContact O-N 2.77Å; S192-A195 PolarHBondContact O-N 2.87Å; S192-I196 VanDerWaalsContact O-CG1 3.29Å; S192-I196 WeakPolarHBondContact O-CG1 3.49Å; S192-I196 PolarHBondContact O-N 2.91Å
193	V	92.4	Very high	93.1	Very high	74 Å²	74	38.9 Å²	38.9	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-65.4	-38.5	178.6	-173.5	0	0	0	0	111.8	N191 S197	N191-V193 VanDerWaalsContact C-N 3.33Å; N191-V193 PolarHBondContact O-N 3.13Å; N191-V193 PolarHBondContact OD1-N 2.78Å; V193-S197 WeakPolarHBondContact O-CB 3.29Å; V193-S197 PolarHBondContact O-N 2.84Å
194	N	94.5	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67	-41.7	173.9	-71.1	1.4	0	0	0	111.7	G152 R156 L161 Y188 N191 S192 I196 S197 L198	G152-N194 VanDerWaalsContact C-ND2 3.3Å; G152-N194 WeakPolarHBondContact CA-ND2 3.13Å; G152-N194 PolarHBondContact O-ND2 3.47Å; R156-N194 WeakPolarHBondContact CD-OD1 3.17Å; R156-N194 PolarHBondContact NH1-OD1 3.47Å; L161-N194 HydrophobicContact CD1-CB 3.9Å; Y188-N194 WeakPolarHBondContact O-CB 3.44Å; Y188-N194 PolarHBondContact O-ND2 2.88Å; N191-N194 HydrophobicContact CB-CB 4.1Å; N191-N194 WeakPolarHBondContact O-CA 3.43Å; N191-N194 WeakPolarHBondContact O-CB 3.1Å; N191-N194 PolarHBondContact O-N 2.78Å; N191-N194 PolarHBondContact OD1-N 2.79Å; N191-N194 PolarHBondContact OD1-OD1 3.04Å; S192-N194 PolarHBondContact O-N 2.77Å; N194-I196 VanDerWaalsContact C-N 3.34Å; N194-I196 PolarHBondContact O-N 3Å; N194-S197 WeakPolarHBondContact O-CB 3.5Å; N194-S197 PolarHBondContact O-N 3.04Å; N194-S197 VanDerWaalsContact O-N 3.11Å; N194-L198 WeakPolarHBondContact O-CB 3.46Å; N194-L198 VanDerWaalsContact O-CG 3.31Å; N194-L198 WeakPolarHBondContact O-CG 3.38Å; N194-L198 PolarHBondContact O-N 2.91Å
195	A	93.4	Very high	93	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-44.4	175.8	0	0	0	0	0	111.5	N191 S192 S197 L198 G199 L232 N238	N191-A195 PolarHBondContact O-N 2.98Å; S192-A195 PolarHBondContact O-N 2.87Å; A195-S197 VanDerWaalsContact C-N 3.31Å; A195-S197 PolarHBondContact O-N 2.97Å; A195-L198 PolarHBondContact O-N 3.39Å; A195-G199 PolarHBondContact O-N 2.83Å; A195-L232 HydrophobicContact CB-CD2 4.28Å; A195-N238 PolarHBondContact O-ND2 3.46Å
196	I	92.9	Very high	92.9	Very high	52 Å²	52	39.6 Å²	39.6	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-41.8	173.9	-64.5	162.5	0	0	0	110.8	S192 N194 G199 K200 S235	S192-I196 VanDerWaalsContact O-CG1 3.29Å; S192-I196 WeakPolarHBondContact O-CG1 3.49Å; S192-I196 PolarHBondContact O-N 2.91Å; N194-I196 VanDerWaalsContact C-N 3.34Å; N194-I196 PolarHBondContact O-N 3Å; I196-G199 PolarHBondContact O-N 3.21Å; I196-K200 WeakPolarHBondContact O-CG 3.39Å; I196-K200 PolarHBondContact O-N 2.93Å; I196-K200 VanDerWaalsContact O-N 3.13Å; I196-S235 VanDerWaalsContact CG1-OG 3.28Å; I196-S235 WeakPolarHBondContact CG1-OG 3.33Å
197	S	94	Very high	92.9	Very high	42 Å²	42	35.7 Å²	35.7	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-65.8	-44.1	178.1	-165.5	0	0	0	0	112.7	V193 N194 A195 G199 K200 T201	V193-S197 WeakPolarHBondContact O-CB 3.29Å; V193-S197 PolarHBondContact O-N 2.84Å; N194-S197 WeakPolarHBondContact O-CB 3.5Å; N194-S197 PolarHBondContact O-N 3.04Å; N194-S197 VanDerWaalsContact O-N 3.11Å; A195-S197 VanDerWaalsContact C-N 3.31Å; A195-S197 PolarHBondContact O-N 2.97Å; S197-G199 VanDerWaalsContact C-N 3.3Å; S197-G199 PolarHBondContact O-N 2.87Å; S197-K200 WeakPolarHBondContact O-CB 3.41Å; S197-K200 PolarHBondContact O-N 3.36Å; S197-T201 PolarHBondContact O-N 3.11Å; S197-T201 VanDerWaalsContact O-N 3.15Å
198	L	94.5	Very high	92.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-33.4	176.7	-70.6	167.7	0	0	0	111.8	L161 V165 L185 S189 N194 A195 T201 G202 M203 L232	L161-L198 HydrophobicContact CD1-CD2 4.41Å; L161-L198 HydrophobicContact CD1-CG 4.29Å; L161-L198 HydrophobicContact CD2-CD2 3.54Å; L161-L198 HydrophobicContact CD2-CG 4.06Å; L161-L198 HydrophobicContact CG-CD2 3.86Å; L161-L198 HydrophobicContact CG-CG 4.28Å; V165-L198 HydrophobicContact CG2-CD2 3.36Å; L185-L198 HydrophobicContact CD2-CD1 4.23Å; L185-L198 HydrophobicContact CD2-CD2 3.72Å; S189-L198 WeakPolarHBondContact OG-CD1 3.41Å; N194-L198 WeakPolarHBondContact O-CB 3.46Å; N194-L198 VanDerWaalsContact O-CG 3.31Å; N194-L198 WeakPolarHBondContact O-CG 3.38Å; N194-L198 PolarHBondContact O-N 2.91Å; A195-L198 PolarHBondContact O-N 3.39Å; L198-T201 PolarHBondContact O-N 2.89Å; L198-T201 PolarHBondContact O-OG1 2.81Å; L198-T201 VanDerWaalsContact O-OG1 3.11Å; L198-G202 PolarHBondContact O-N 3.45Å; L198-M203 HydrophobicContact CB-CB 4.3Å; L198-M203 HydrophobicContact CB-CG 4.19Å; L198-M203 HydrophobicContact CD2-CG 3.99Å; L198-M203 VanDerWaalsContact O-CB 3.31Å; L198-M203 WeakPolarHBondContact O-CB 3.41Å; L198-M203 WeakPolarHBondContact O-CG 3.41Å; L198-M203 PolarHBondContact O-N 2.7Å; L198-L232 HydrophobicContact CB-CD2 3.6Å; L198-L232 HydrophobicContact CD1-CD2 3.97Å; L198-L232 HydrophobicContact CG-CD2 4.43Å
199	G	92.1	Very high	92.6	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-47.3	169	0	0	0	0	0	112.4	A195 I196 S197 T201 G202 N238	A195-G199 PolarHBondContact O-N 2.83Å; I196-G199 PolarHBondContact O-N 3.21Å; S197-G199 VanDerWaalsContact C-N 3.3Å; S197-G199 PolarHBondContact O-N 2.87Å; G199-T201 VanDerWaalsContact C-N 3.29Å; G199-T201 PolarHBondContact O-N 2.88Å; G199-G202 PolarHBondContact O-N 3.35Å; G199-G202 VanDerWaalsContact O-N 3.16Å; G199-N238 WeakPolarHBondContact CA-OD1 3.42Å
200	K	92.8	Very high	92.5	Very high	158 Å²	158	42.8 Å²	42.8	69%	0.687	23%	0.232	S	C	*	.	H	α-helix	trans	-64.1	-27.3	177.2	-70.1	178.8	179.6	-176	0	113.8	I196 S197 G202	I196-K200 WeakPolarHBondContact O-CG 3.39Å; I196-K200 PolarHBondContact O-N 2.93Å; I196-K200 VanDerWaalsContact O-N 3.13Å; S197-K200 WeakPolarHBondContact O-CB 3.41Å; S197-K200 PolarHBondContact O-N 3.36Å; K200-G202 VanDerWaalsContact C-N 3.3Å
201	T	92.1	Very high	92.4	Very high	42 Å²	42	36.8 Å²	36.8	26%	0.258	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	5	176.3	61.8	0	0	0	0	114.3	S197 L198 G199	S197-T201 PolarHBondContact O-N 3.11Å; S197-T201 VanDerWaalsContact O-N 3.15Å; L198-T201 PolarHBondContact O-N 2.89Å; L198-T201 PolarHBondContact O-OG1 2.81Å; L198-T201 VanDerWaalsContact O-OG1 3.11Å; G199-T201 VanDerWaalsContact C-N 3.29Å; G199-T201 PolarHBondContact O-N 2.88Å
202	G	92.4	Very high	91.8	Very high	24 Å²	24	36.2 Å²	36.2	25%	0.247	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	13.5	174.2	0	0	0	0	0	115.4	L198 G199 K200 V204 E205 I206	L198-G202 PolarHBondContact O-N 3.45Å; G199-G202 PolarHBondContact O-N 3.35Å; G199-G202 VanDerWaalsContact O-N 3.16Å; K200-G202 VanDerWaalsContact C-N 3.3Å; G202-V204 VanDerWaalsContact C-N 3.3Å; G202-V204 PolarHBondContact O-N 2.91Å; G202-E205 PolarHBondContact O-N 2.89Å; G202-I206 WeakPolarHBondContact O-CD1 3.44Å; G202-I206 WeakPolarHBondContact O-CG1 3.47Å; G202-I206 PolarHBondContact O-N 3.37Å; G202-I206 VanDerWaalsContact O-N 3.14Å
203	M	94.7	Very high	91.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-29.4	-175.5	-68.1	-78.9	87.8	0	0	114	V165 V168 K169 L185 L198 I206 I207 L232	V165-M203 HydrophobicContact CB-CE 4.4Å; V165-M203 HydrophobicContact CB-SD 4.09Å; V165-M203 HydrophobicContact CG1-CE 3.85Å; V165-M203 HydrophobicContact CG1-CG 4.46Å; V165-M203 HydrophobicContact CG1-SD 4.09Å; V165-M203 HydrophobicContact CG2-CG 3.86Å; V165-M203 HydrophobicContact CG2-SD 3.7Å; V168-M203 HydrophobicContact CG1-CE 4.29Å; K169-M203 HydrophobicContact CG-CE 4.29Å; L185-M203 HydrophobicContact CD1-SD 3.87Å; L185-M203 HydrophobicContact CD2-SD 4.34Å; L198-M203 HydrophobicContact CB-CB 4.3Å; L198-M203 HydrophobicContact CB-CG 4.19Å; L198-M203 HydrophobicContact CD2-CG 3.99Å; L198-M203 VanDerWaalsContact O-CB 3.31Å; L198-M203 WeakPolarHBondContact O-CB 3.41Å; L198-M203 WeakPolarHBondContact O-CG 3.41Å; L198-M203 PolarHBondContact O-N 2.7Å; M203-I206 HydrophobicContact CE-CB 4Å; M203-I206 HydrophobicContact CE-CD1 3.44Å; M203-I206 VanDerWaalsContact CE-CD1 3.44Å; M203-I206 HydrophobicContact CE-CG1 4.32Å; M203-I206 HydrophobicContact CE-CG2 3.97Å; M203-I206 PolarHBondContact O-N 2.74Å; M203-I207 WeakPolarHBondContact O-CB 3.33Å; M203-I207 VanDerWaalsContact O-CG1 3.32Å; M203-I207 WeakPolarHBondContact O-CG1 3.3Å; M203-I207 PolarHBondContact O-N 3.31Å; M203-L232 HydrophobicContact CB-CD1 4.22Å
204	V	94.1	Very high	90.8	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-55.6	174.9	177	0	0	0	0	109.9	G202 I206 I207 F208 L229 N238 A242	G202-V204 VanDerWaalsContact C-N 3.3Å; G202-V204 PolarHBondContact O-N 2.91Å; V204-I206 VanDerWaalsContact C-N 3.28Å; V204-I206 PolarHBondContact O-N 2.8Å; V204-I207 PolarHBondContact O-N 3.08Å; V204-F208 HydrophobicContact CG1-CD2 3.76Å; V204-F208 HydrophobicContact CG1-CE2 3.67Å; V204-F208 VanDerWaalsContact O-CD2 3.27Å; V204-F208 WeakPolarHBondContact O-CD2 3.47Å; V204-F208 PolarHBondContact O-N 2.79Å; V204-L229 HydrophobicContact CG1-CD1 4.5Å; V204-N238 HydrophobicContact CG2-CB 4.32Å; V204-A242 HydrophobicContact CG1-CB 4.25Å
205	E	93.7	Very high	90.1	Very high	56 Å²	56	37.8 Å²	37.8	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-57.9	-37.4	176.4	-62	-49.8	119	0	0	113.7	G202 K209 S245 H247	G202-E205 PolarHBondContact O-N 2.89Å; E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.46Å; E205-K209 PolarHBondContact O-N 2.92Å; E205-S245 WeakPolarHBondContact OE1-CB 3.32Å; E205-S245 PolarHBondContact OE1-OG 3.41Å; E205-H247 VanDerWaalsContact CD-NE2 3.29Å; E205-H247 IonicContact OE1-CD2 3.28Å; E205-H247 IonicContact OE1-NE2 3.28Å; E205-H247 PolarHBondContact OE1-NE2 2.77Å; E205-H247 IonicContact OE2-CE1 3.78Å; E205-H247 PolarHBondContact OE2-CE1 2.77Å; E205-H247 IonicContact OE2-NE2 2.89Å; E205-H247 PolarHBondContact OE2-NE2 2.99Å
206	I	93.8	Very high	89.4	Confident	23 Å²	23	43.9 Å²	43.9	12%	0.118	23%	0.233	C	C	.	.	H	α-helix	trans	-74.2	-37.6	-178	-73.5	161.3	0	0	0	111.2	V168 K169 L172 G202 M203 V204 K209 I210	V168-I206 HydrophobicContact CG1-CG2 3.89Å; K169-I206 HydrophobicContact CD-CD1 4.25Å; K169-I206 HydrophobicContact CG-CD1 3.58Å; L172-I206 HydrophobicContact CD2-CG2 3.73Å; G202-I206 WeakPolarHBondContact O-CD1 3.44Å; G202-I206 WeakPolarHBondContact O-CG1 3.47Å; G202-I206 PolarHBondContact O-N 3.37Å; G202-I206 VanDerWaalsContact O-N 3.14Å; M203-I206 HydrophobicContact CE-CB 4Å; M203-I206 HydrophobicContact CE-CD1 3.44Å; M203-I206 VanDerWaalsContact CE-CD1 3.44Å; M203-I206 HydrophobicContact CE-CG1 4.32Å; M203-I206 HydrophobicContact CE-CG2 3.97Å; M203-I206 PolarHBondContact O-N 2.74Å; V204-I206 VanDerWaalsContact C-N 3.28Å; V204-I206 PolarHBondContact O-N 2.8Å; I206-K209 PolarHBondContact O-N 3.08Å; I206-I210 HydrophobicContact CG2-CD1 4.29Å; I206-I210 WeakPolarHBondContact O-CG1 3.47Å; I206-I210 PolarHBondContact O-N 2.95Å; I206-I210 VanDerWaalsContact O-N 3.15Å
207	I	93.8	Very high	88.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-71.8	-36.3	174	-64.6	164.3	0	0	0	110.6	L182 M203 V204 K209 I210 V211 A225 A228 L229 L232	L182-I207 HydrophobicContact CD2-CD1 4.24Å; L182-I207 HydrophobicContact CD2-CG1 3.98Å; M203-I207 WeakPolarHBondContact O-CB 3.33Å; M203-I207 VanDerWaalsContact O-CG1 3.32Å; M203-I207 WeakPolarHBondContact O-CG1 3.3Å; M203-I207 PolarHBondContact O-N 3.31Å; V204-I207 PolarHBondContact O-N 3.08Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 3.19Å; I207-I210 WeakPolarHBondContact O-CA 3.39Å; I207-I210 WeakPolarHBondContact O-CB 3.48Å; I207-I210 PolarHBondContact O-N 3.25Å; I207-V211 HydrophobicContact CG2-CG1 4.49Å; I207-V211 PolarHBondContact O-N 3.44Å; I207-A225 HydrophobicContact CG2-CB 4.25Å; I207-A225 WeakPolarHBondContact CG2-O 3.29Å; I207-A228 HydrophobicContact CD1-CB 4.42Å; I207-L229 HydrophobicContact CB-CD1 4.49Å; I207-L229 HydrophobicContact CG2-CB 3.85Å; I207-L229 HydrophobicContact CG2-CD1 4.31Å; I207-L229 HydrophobicContact CG2-CD2 4.4Å; I207-L229 HydrophobicContact CG2-CG 4.41Å; I207-L232 HydrophobicContact CD1-CD1 3.56Å
208	F	92.1	Very high	88.1	Confident	7 Å²	7	51.4 Å²	51.4	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-36.7	168.9	-84	-62.6	0	0	0	112.9	V204 I210 V211 G212 L229 A242 H247 L251	V204-F208 HydrophobicContact CG1-CD2 3.76Å; V204-F208 HydrophobicContact CG1-CE2 3.67Å; V204-F208 VanDerWaalsContact O-CD2 3.27Å; V204-F208 WeakPolarHBondContact O-CD2 3.47Å; V204-F208 PolarHBondContact O-N 2.79Å; F208-I210 VanDerWaalsContact C-N 3.29Å; F208-I210 PolarHBondContact O-N 2.87Å; F208-V211 HydrophobicContact CD1-CG2 4.27Å; F208-V211 PolarHBondContact O-N 2.87Å; F208-G212 VanDerWaalsContact O-CA 3.32Å; F208-G212 WeakPolarHBondContact O-CA 3.26Å; F208-G212 PolarHBondContact O-N 3.3Å; F208-L229 HydrophobicContact CD1-CD2 4.19Å; F208-L229 HydrophobicContact CD2-CD1 4.31Å; F208-L229 HydrophobicContact CE1-CD2 3.74Å; F208-L229 HydrophobicContact CE2-CD1 3.93Å; F208-L229 HydrophobicContact CE2-CD2 4.26Å; F208-L229 HydrophobicContact CZ-CD1 4.21Å; F208-L229 HydrophobicContact CZ-CD2 3.77Å; F208-L229 HydrophobicContact CZ-CG 4.47Å; F208-A242 HydrophobicContact CE2-CB 4.02Å; F208-A242 HydrophobicContact CZ-CB 4.46Å; F208-H247 HydrophobicContact CD1-CB 4.08Å; F208-H247 AromaticContact CD1-CG 3.94Å; F208-H247 AromaticContact CD1-ND1 3.72Å; F208-H247 HydrophobicContact CD2-CB 4.06Å; F208-H247 AromaticContact CD2-CD2 3.47Å; F208-H247 VanDerWaalsContact CD2-CD2 3.47Å; F208-H247 WeakPolarHBondContact CD2-CD2 3.38Å; F208-H247 AromaticContact CD2-CE1 3.82Å; F208-H247 AromaticContact CD2-CG 3.49Å; F208-H247 VanDerWaalsContact CD2-CG 3.49Å; F208-H247 AromaticContact CD2-ND1 3.72Å; F208-H247 AromaticContact CD2-NE2 3.67Å; F208-H247 HydrophobicContact CE1-CB 3.67Å; F208-H247 HydrophobicContact CE2-CB 3.63Å; F208-H247 AromaticContact CE2-CD2 3.64Å; F208-H247 AromaticContact CE2-CG 3.57Å; F208-H247 HydrophobicContact CG-CB 4.28Å; F208-H247 AromaticContact CG-CE1 3.7Å; F208-H247 AromaticContact CG-CG 3.7Å; F208-H247 AromaticContact CG-ND1 3.46Å; F208-H247 WeakPolarHBondContact CG-ND1 3.14Å; F208-H247 HydrophobicContact CZ-CB 3.43Å; F208-H247 VanDerWaalsContact CZ-CB 3.43Å; F208-H247 AromaticContact CZ-CG 3.85Å; F208-L251 HydrophobicContact CE1-CD1 4.28Å; F208-L251 HydrophobicContact CE1-CD2 3.8Å; F208-L251 HydrophobicContact CE1-CG 3.85Å; F208-L251 HydrophobicContact CZ-CD1 4.18Å; F208-L251 HydrophobicContact CZ-CD2 4.41Å; F208-L251 HydrophobicContact CZ-CG 4.26Å
209	K	90.6	Very high	87.8	Confident	146 Å²	146	54.1 Å²	54.1	64%	0.635	28%	0.279	S	S	*	.	H	α-helix	trans	-67.7	-25	171.5	-72.7	166.8	-174.3	177.1	0	113.9	E205 I206 I207	E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.46Å; E205-K209 PolarHBondContact O-N 2.92Å; I206-K209 PolarHBondContact O-N 3.08Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 3.19Å
210	I	89.4	Confident	87.6	Confident	18 Å²	18	57.3 Å²	57.3	9%	0.092	30%	0.3	C	S	.	.	H	α-helix	trans	-80	-38.8	176	-67.1	160.4	0	0	0	111.3	V168 L172 L178 L182 I206 I207 F208 A225	V168-I210 HydrophobicContact CG1-CD1 4.47Å; L172-I210 HydrophobicContact CD2-CD1 3.99Å; L172-I210 HydrophobicContact CD2-CG1 4.11Å; L178-I210 HydrophobicContact CD1-CD1 3.97Å; L178-I210 HydrophobicContact CD2-CD1 3.93Å; L178-I210 HydrophobicContact CD2-CG1 4.17Å; L178-I210 HydrophobicContact CD2-CG2 4.34Å; L178-I210 HydrophobicContact CG-CD1 4.42Å; L182-I210 HydrophobicContact CD2-CD1 4.45Å; I206-I210 HydrophobicContact CG2-CD1 4.29Å; I206-I210 WeakPolarHBondContact O-CG1 3.47Å; I206-I210 PolarHBondContact O-N 2.95Å; I206-I210 VanDerWaalsContact O-N 3.15Å; I207-I210 WeakPolarHBondContact O-CA 3.39Å; I207-I210 WeakPolarHBondContact O-CB 3.48Å; I207-I210 PolarHBondContact O-N 3.25Å; F208-I210 VanDerWaalsContact C-N 3.29Å; F208-I210 PolarHBondContact O-N 2.87Å; I210-A225 HydrophobicContact CG2-CB 4.06Å
211	V	88.6	Confident	87.5	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-93.9	-16.2	-178.8	-54.6	0	0	0	0	114.6	I207 F208 F222 A225 L226 L229 L254	I207-V211 HydrophobicContact CG2-CG1 4.49Å; I207-V211 PolarHBondContact O-N 3.44Å; F208-V211 HydrophobicContact CD1-CG2 4.27Å; F208-V211 PolarHBondContact O-N 2.87Å; V211-F222 HydrophobicContact CB-CD1 4.43Å; V211-F222 HydrophobicContact CB-CE1 4.43Å; V211-F222 WeakPolarHBondContact O-CE1 3.48Å; V211-A225 HydrophobicContact CG1-CB 3.53Å; V211-L226 HydrophobicContact CB-CD2 4.39Å; V211-L226 HydrophobicContact CG1-CD2 4.13Å; V211-L226 HydrophobicContact CG1-CG 4.14Å; V211-L226 HydrophobicContact CG2-CD2 4.36Å; V211-L229 HydrophobicContact CG2-CD2 4.47Å; V211-L254 HydrophobicContact CG2-CD1 4.37Å; V211-L254 WeakPolarHBondContact O-CD1 3.31Å; V211-L254 WeakPolarHBondContact O-CD2 3.37Å
212	G	77	Confident	87.5	Confident	32 Å²	32	49 Å²	49	33%	0.33	26%	0.261	S	S	.	.	S	Bend	trans	-58.3	-41.1	-177.7	0	0	0	0	0	116.6	F208	F208-G212 VanDerWaalsContact O-CA 3.32Å; F208-G212 WeakPolarHBondContact O-CA 3.26Å; F208-G212 PolarHBondContact O-N 3.3Å
213	P	79.6	Confident	87.5	Confident	81 Å²	81	51.5 Å²	51.5	53%	0.526	27%	0.265	S	S	.	.	S	Bend	trans	-83.9	116.8	176.9	30.5	-31	0	0	0	111	S215 F222	P213-S215 PolarHBondContact O-N 3.08Å; P213-F222 VanDerWaalsContact O-CZ 3.23Å; P213-F222 WeakPolarHBondContact O-CZ 3.37Å
214	Y	80.6	Confident	87.4	Confident	68 Å²	68	52.1 Å²	52.1	27%	0.267	27%	0.269	S	S	.	.			trans	-55.3	123.6	174.8	179.6	-92.2	0	0	0	111.8	K216 D257 W258 N261	Y214-K216 HydrophobicContact CE1-CG 4.02Å; Y214-K216 WeakPolarHBondContact OH-CE 3.47Å; Y214-K216 WeakPolarHBondContact OH-CG 3.39Å; Y214-D257 HydrophobicContact CD2-CB 3.72Å; Y214-D257 HydrophobicContact CE2-CB 4.18Å; Y214-D257 HydrophobicContact CG-CB 4.33Å; Y214-W258 HydrophobicContact CD2-CD2 4.26Å; Y214-W258 AromaticContact CD2-CE2 3.94Å; Y214-W258 HydrophobicContact CD2-CG 4.37Å; Y214-W258 HydrophobicContact CD2-CZ2 4.38Å; Y214-W258 AromaticContact CD2-NE1 3.87Å; Y214-W258 AromaticContact CE2-CD2 3.54Å; Y214-W258 HydrophobicContact CE2-CD2 3.54Å; Y214-W258 AromaticContact CE2-CE2 3.58Å; Y214-W258 AromaticContact CE2-CE3 3.88Å; Y214-W258 HydrophobicContact CE2-CE3 3.88Å; Y214-W258 AromaticContact CE2-CG 3.88Å; Y214-W258 HydrophobicContact CE2-CG 3.88Å; Y214-W258 HydrophobicContact CE2-CH2 4.28Å; Y214-W258 AromaticContact CE2-CZ2 3.98Å; Y214-W258 HydrophobicContact CE2-CZ2 3.98Å; Y214-W258 HydrophobicContact CE2-CZ3 4.23Å; Y214-W258 AromaticContact CE2-NE1 3.92Å; Y214-N261 WeakPolarHBondContact OH-CB 3.42Å
215	S	79.6	Confident	87.4	Confident	31 Å²	31	52 Å²	52	22%	0.217	27%	0.269	C	S	.	.			trans	-147.9	122.5	-176.2	172.8	0	0	0	0	113.4	P213 K217 W258	P213-S215 PolarHBondContact O-N 3.08Å; S215-K217 PolarHBondContact O-N 3.45Å; S215-K217 WeakPolarHBondContact OG-CA 3.21Å; S215-K217 WeakPolarHBondContact OG-CB 3.31Å; S215-K217 PolarHBondContact OG-N 2.79Å; S215-K217 PolarHBondContact OG-O 2.77Å; S215-W258 VanDerWaalsContact O-CH2 3.25Å; S215-W258 WeakPolarHBondContact O-CH2 3.47Å; S215-W258 WeakPolarHBondContact O-CZ2 3.44Å
216	K	78.7	Confident	87.5	Confident	130 Å²	130	49.5 Å²	49.5	57%	0.565	26%	0.257	S	S	*	.	S	Bend	trans	-76.6	-4.5	166.5	-62.4	-177.9	-176.3	176.8	0	113.1	Y214 N261	Y214-K216 HydrophobicContact CE1-CG 4.02Å; Y214-K216 WeakPolarHBondContact OH-CE 3.47Å; Y214-K216 WeakPolarHBondContact OH-CG 3.39Å; K216-N261 WeakPolarHBondContact CE-OD1 3.5Å; K216-N261 PolarHBondContact NZ-OD1 3.07Å
217	K	77.7	Confident	87.5	Confident	166 Å²	166	50.4 Å²	50.4	72%	0.722	26%	0.262	S	S	*	.	S	Bend	trans	-91.1	140.7	171.8	-58.8	176.7	-177.8	175.5	0	109.5	S215	S215-K217 PolarHBondContact O-N 3.45Å; S215-K217 WeakPolarHBondContact OG-CA 3.21Å; S215-K217 WeakPolarHBondContact OG-CB 3.31Å; S215-K217 PolarHBondContact OG-N 2.79Å; S215-K217 PolarHBondContact OG-O 2.77Å
218	N	82	Confident	87.6	Confident	85 Å²	85	50.4 Å²	50.4	46%	0.455	26%	0.262	S	S	.	.			trans	59.9	42.4	179.3	-54.2	-30.2	0	0	0	114.9	S220 L221 F222	N218-S220 PolarHBondContact O-N 3.19Å; N218-S220 VanDerWaalsContact O-N 3.13Å; N218-L221 HydrophobicContact CB-CB 3.98Å; N218-L221 HydrophobicContact CB-CD2 4.34Å; N218-L221 WeakPolarHBondContact O-CA 3.39Å; N218-L221 VanDerWaalsContact O-CB 3.26Å; N218-L221 WeakPolarHBondContact O-CB 3.45Å; N218-L221 PolarHBondContact O-N 3.37Å; N218-F222 PolarHBondContact O-N 2.95Å
219	T	88.4	Confident	87.8	Confident	59 Å²	59	50.1 Å²	50.1	36%	0.362	26%	0.261	S	S	.	.	H	α-helix	trans	-54.5	-31.7	179.4	50.1	0	0	0	0	114.5	F222 K223 W258 I270	T219-F222 PolarHBondContact O-N 3.34Å; T219-K223 PolarHBondContact O-N 3.21Å; T219-W258 HydrophobicContact CG2-CH2 4.09Å; T219-I270 HydrophobicContact CG2-CD1 4.25Å
220	S	88.4	Confident	88.1	Confident	73 Å²	73	43.3 Å²	43.3	51%	0.51	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-37.2	173.3	51.1	0	0	0	0	113.3	N218 V224	N218-S220 PolarHBondContact O-N 3.19Å; N218-S220 VanDerWaalsContact O-N 3.13Å; S220-V224 WeakPolarHBondContact O-CG2 3.38Å; S220-V224 PolarHBondContact O-N 2.93Å; S220-V224 VanDerWaalsContact O-N 3.15Å
221	L	90.4	Very high	88.3	Confident	15 Å²	15	43 Å²	43	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-44.6	174.6	-174.4	72.7	0	0	0	110.7	L178 L179 L182 N218 K223 V224 A225	L178-L221 HydrophobicContact CB-CD1 4.23Å; L178-L221 HydrophobicContact CD2-CD1 4.29Å; L178-L221 HydrophobicContact CD2-CD2 4.24Å; L178-L221 HydrophobicContact CG-CD1 4.06Å; L179-L221 HydrophobicContact CB-CD1 3.97Å; L179-L221 HydrophobicContact CD1-CD1 4.22Å; L182-L221 HydrophobicContact CD1-CD1 3.85Å; N218-L221 HydrophobicContact CB-CB 3.98Å; N218-L221 HydrophobicContact CB-CD2 4.34Å; N218-L221 WeakPolarHBondContact O-CA 3.39Å; N218-L221 VanDerWaalsContact O-CB 3.26Å; N218-L221 WeakPolarHBondContact O-CB 3.45Å; N218-L221 PolarHBondContact O-N 3.37Å; L221-K223 PolarHBondContact O-N 3.29Å; L221-V224 PolarHBondContact O-N 2.91Å; L221-A225 VanDerWaalsContact O-CB 3.28Å; L221-A225 WeakPolarHBondContact O-CB 3.47Å; L221-A225 PolarHBondContact O-N 2.95Å
222	F	91.5	Very high	88.6	Confident	11 Å²	11	42.9 Å²	42.9	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-46.4	176.1	-87	-102.7	0	0	0	112	V211 P213 N218 T219 A225 L226 W258 I270	V211-F222 HydrophobicContact CB-CD1 4.43Å; V211-F222 HydrophobicContact CB-CE1 4.43Å; V211-F222 WeakPolarHBondContact O-CE1 3.48Å; P213-F222 VanDerWaalsContact O-CZ 3.23Å; P213-F222 WeakPolarHBondContact O-CZ 3.37Å; N218-F222 PolarHBondContact O-N 2.95Å; T219-F222 PolarHBondContact O-N 3.34Å; F222-A225 PolarHBondContact O-N 2.87Å; F222-L226 WeakPolarHBondContact O-CG 3.14Å; F222-L226 PolarHBondContact O-N 2.7Å; F222-W258 HydrophobicContact CD1-CZ2 4.38Å; F222-I270 HydrophobicContact CB-CD1 4.03Å
223	K	92.1	Very high	89.5	Confident	76 Å²	76	41.4 Å²	41.4	33%	0.33	22%	0.216	S	C	.	.	H	α-helix	trans	-57	-52.8	175.1	-172.8	-164.2	168.9	-173.1	0	111.1	T219 L221 A225 L226 D227 L269 I270	T219-K223 PolarHBondContact O-N 3.21Å; L221-K223 PolarHBondContact O-N 3.29Å; K223-A225 VanDerWaalsContact C-N 3.31Å; K223-A225 PolarHBondContact O-N 2.88Å; K223-L226 PolarHBondContact O-N 3.05Å; K223-D227 PolarHBondContact O-N 3.24Å; K223-L269 HydrophobicContact CD-CB 4.14Å; K223-L269 HydrophobicContact CD-CD1 4.2Å; K223-L269 HydrophobicContact CG-CB 4.42Å; K223-I270 HydrophobicContact CB-CG1 4.42Å
224	V	93.6	Very high	90.2	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.085	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-34.5	-177.1	171.4	0	0	0	0	112.2	L179 L182 Q183 S220 L221 D227 A228	L179-V224 HydrophobicContact CD1-CB 3.94Å; L179-V224 HydrophobicContact CD1-CG1 4.21Å; L179-V224 HydrophobicContact CD1-CG2 3.82Å; L182-V224 HydrophobicContact CB-CG1 3.69Å; Q183-V224 HydrophobicContact CB-CG1 4.47Å; Q183-V224 HydrophobicContact CG-CG1 3.6Å; Q183-V224 HydrophobicContact CG-CG2 4.34Å; S220-V224 WeakPolarHBondContact O-CG2 3.38Å; S220-V224 PolarHBondContact O-N 2.93Å; S220-V224 VanDerWaalsContact O-N 3.15Å; L221-V224 PolarHBondContact O-N 2.91Å; V224-D227 PolarHBondContact O-N 3.2Å; V224-A228 WeakPolarHBondContact O-CB 3.49Å; V224-A228 PolarHBondContact O-N 3.2Å
225	A	94.5	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-43	173.2	0	0	0	0	0	111.7	L182 I207 I210 V211 L221 F222 K223 A228 L229	L182-A225 HydrophobicContact CD1-CB 3.95Å; I207-A225 HydrophobicContact CG2-CB 4.25Å; I207-A225 WeakPolarHBondContact CG2-O 3.29Å; I210-A225 HydrophobicContact CG2-CB 4.06Å; V211-A225 HydrophobicContact CG1-CB 3.53Å; L221-A225 VanDerWaalsContact O-CB 3.28Å; L221-A225 WeakPolarHBondContact O-CB 3.47Å; L221-A225 PolarHBondContact O-N 2.95Å; F222-A225 PolarHBondContact O-N 2.87Å; K223-A225 VanDerWaalsContact C-N 3.31Å; K223-A225 PolarHBondContact O-N 2.88Å; A225-A228 PolarHBondContact O-N 3.22Å; A225-L229 WeakPolarHBondContact O-CB 3.48Å; A225-L229 PolarHBondContact O-N 3.29Å
226	L	95.4	Very high	91.4	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-69.2	-40	175.4	-68.8	167.6	0	0	0	112.6	V211 F222 K223 A228 L229 G230 I270 L274	V211-L226 HydrophobicContact CB-CD2 4.39Å; V211-L226 HydrophobicContact CG1-CD2 4.13Å; V211-L226 HydrophobicContact CG1-CG 4.14Å; V211-L226 HydrophobicContact CG2-CD2 4.36Å; F222-L226 WeakPolarHBondContact O-CG 3.14Å; F222-L226 PolarHBondContact O-N 2.7Å; K223-L226 PolarHBondContact O-N 3.05Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 2.89Å; L226-L229 HydrophobicContact CD2-CD2 4.44Å; L226-L229 PolarHBondContact O-N 3.33Å; L226-G230 PolarHBondContact O-N 3.19Å; L226-I270 HydrophobicContact CD1-CB 4.41Å; L226-I270 HydrophobicContact CD1-CG2 3.63Å; L226-L274 HydrophobicContact CD1-CD2 4.31Å; L226-L274 HydrophobicContact CD1-CG 3.89Å; L226-L274 HydrophobicContact CD2-CD2 3.63Å; L226-L274 HydrophobicContact CD2-CG 4.02Å
227	D	94.3	Very high	92.1	Very high	42 Å²	42	41.7 Å²	41.7	23%	0.225	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-41.4	172.9	-65.6	-5	0	0	0	110.7	R186 K223 V224 A231	R186-D227 VanDerWaalsContact CD-CB 3.47Å; R186-D227 HydrophobicContact CG-CB 4.48Å; R186-D227 IonicContact NH1-OD2 2.73Å; R186-D227 PolarHBondContact NH1-OD2 2.65Å; K223-D227 PolarHBondContact O-N 3.24Å; V224-D227 PolarHBondContact O-N 3.2Å; D227-A231 PolarHBondContact O-N 3.42Å
228	A	95.3	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.3	-39.3	177.6	0	0	0	0	0	112.7	R186 I207 V224 A225 L226 A231 L232	R186-A228 HydrophobicContact CB-CB 3.99Å; I207-A228 HydrophobicContact CD1-CB 4.42Å; V224-A228 WeakPolarHBondContact O-CB 3.49Å; V224-A228 PolarHBondContact O-N 3.2Å; A225-A228 PolarHBondContact O-N 3.22Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 2.89Å; A228-A231 PolarHBondContact O-N 3.46Å; A228-L232 WeakPolarHBondContact O-CG 3.17Å; A228-L232 PolarHBondContact O-N 3.2Å
229	L	96.6	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-47	175.1	-174.7	58	0	0	0	111.1	V204 I207 F208 V211 A225 L226 A231 L232 L233	V204-L229 HydrophobicContact CG1-CD1 4.5Å; I207-L229 HydrophobicContact CB-CD1 4.49Å; I207-L229 HydrophobicContact CG2-CB 3.85Å; I207-L229 HydrophobicContact CG2-CD1 4.31Å; I207-L229 HydrophobicContact CG2-CD2 4.4Å; I207-L229 HydrophobicContact CG2-CG 4.41Å; F208-L229 HydrophobicContact CD1-CD2 4.19Å; F208-L229 HydrophobicContact CD2-CD1 4.31Å; F208-L229 HydrophobicContact CE1-CD2 3.74Å; F208-L229 HydrophobicContact CE2-CD1 3.93Å; F208-L229 HydrophobicContact CE2-CD2 4.26Å; F208-L229 HydrophobicContact CZ-CD1 4.21Å; F208-L229 HydrophobicContact CZ-CD2 3.77Å; F208-L229 HydrophobicContact CZ-CG 4.47Å; V211-L229 HydrophobicContact CG2-CD2 4.47Å; A225-L229 WeakPolarHBondContact O-CB 3.48Å; A225-L229 PolarHBondContact O-N 3.29Å; L226-L229 HydrophobicContact CD2-CD2 4.44Å; L226-L229 PolarHBondContact O-N 3.33Å; L229-A231 VanDerWaalsContact C-N 3.32Å; L229-A231 PolarHBondContact O-N 3.38Å; L229-L232 WeakPolarHBondContact O-CB 3.29Å; L229-L232 PolarHBondContact O-N 2.87Å; L229-L232 VanDerWaalsContact O-N 3.14Å; L229-L233 HydrophobicContact CD1-CD1 4.05Å; L229-L233 HydrophobicContact CD1-CG 4.17Å; L229-L233 HydrophobicContact CD2-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 3.77Å; L229-L233 HydrophobicContact CG-CG 4.31Å; L229-L233 WeakPolarHBondContact O-CB 3.41Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 3.23Å
230	G	95.8	Very high	94	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-57.4	-43.6	175.7	0	0	0	0	0	112.2	L226 L233 K234 N280	L226-G230 PolarHBondContact O-N 3.19Å; G230-L233 PolarHBondContact O-N 3.2Å; G230-K234 PolarHBondContact O-N 2.98Å; G230-N280 PolarHBondContact O-ND2 3.02Å
231	A	94.8	Very high	94.3	Very high	11 Å²	11	31.8 Å²	31.8	9%	0.091	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-40.8	174.9	0	0	0	0	0	112.8	R186 D227 A228 L229	R186-A231 HydrophobicContact CG-CB 4.15Å; D227-A231 PolarHBondContact O-N 3.42Å; A228-A231 PolarHBondContact O-N 3.46Å; L229-A231 VanDerWaalsContact C-N 3.32Å; L229-A231 PolarHBondContact O-N 3.38Å
232	L	95.6	Very high	94.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-41.3	173.4	-76.2	169.1	0	0	0	112.5	S189 A195 L198 M203 I207 A228 L229 K234 S235 N238	S189-L232 WeakPolarHBondContact OG-CD2 3.34Å; S189-L232 WeakPolarHBondContact OG-CG 3.31Å; A195-L232 HydrophobicContact CB-CD2 4.28Å; L198-L232 HydrophobicContact CB-CD2 3.6Å; L198-L232 HydrophobicContact CD1-CD2 3.97Å; L198-L232 HydrophobicContact CG-CD2 4.43Å; M203-L232 HydrophobicContact CB-CD1 4.22Å; I207-L232 HydrophobicContact CD1-CD1 3.56Å; A228-L232 WeakPolarHBondContact O-CG 3.17Å; A228-L232 PolarHBondContact O-N 3.2Å; L229-L232 WeakPolarHBondContact O-CB 3.29Å; L229-L232 PolarHBondContact O-N 2.87Å; L229-L232 VanDerWaalsContact O-N 3.14Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.03Å; L232-S235 PolarHBondContact O-N 3.5Å; L232-N238 VanDerWaalsContact O-CB 3.24Å; L232-N238 WeakPolarHBondContact O-CB 3.36Å; L232-N238 PolarHBondContact O-ND2 2.87Å
233	L	95.8	Very high	94.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-72.1	-13.8	-176.7	-69.2	172	0	0	0	113.7	L229 G230 S235 A242 C277 N280 I281	L229-L233 HydrophobicContact CD1-CD1 4.05Å; L229-L233 HydrophobicContact CD1-CG 4.17Å; L229-L233 HydrophobicContact CD2-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 3.77Å; L229-L233 HydrophobicContact CG-CG 4.31Å; L229-L233 WeakPolarHBondContact O-CB 3.41Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.44Å; L229-L233 PolarHBondContact O-N 3.23Å; G230-L233 PolarHBondContact O-N 3.2Å; L233-S235 PolarHBondContact O-N 3.03Å; L233-S235 VanDerWaalsContact O-N 3.16Å; L233-A242 HydrophobicContact CD2-CB 3.68Å; L233-C277 HydrophobicContact CD1-CB 3.72Å; L233-N280 HydrophobicContact CB-CB 3.93Å; L233-I281 HydrophobicContact CD1-CD1 3.9Å; L233-I281 HydrophobicContact CD1-CG1 4.05Å; L233-I281 HydrophobicContact CD2-CD1 4.17Å; L233-I281 HydrophobicContact CD2-CG1 3.92Å; L233-I281 HydrophobicContact CG-CG1 4.44Å
234	K	93.3	Very high	94.9	Very high	151 Å²	151	32.5 Å²	32.5	66%	0.657	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.2	168.7	-75.2	-161.6	173.4	-164	0	112.5	G230 L232 K236	G230-K234 PolarHBondContact O-N 2.98Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.03Å; K234-K236 PolarHBondContact O-N 3.09Å
235	S	93.4	Very high	95	Very high	16 Å²	16	34.9 Å²	34.9	11%	0.112	17%	0.173	C	C	.	.	S	Bend	trans	-75.9	121	172.8	-179.2	0	0	0	0	111.4	I196 L232 L233 T237 N238 A239	I196-S235 VanDerWaalsContact CG1-OG 3.28Å; I196-S235 WeakPolarHBondContact CG1-OG 3.33Å; L232-S235 PolarHBondContact O-N 3.5Å; L233-S235 PolarHBondContact O-N 3.03Å; L233-S235 VanDerWaalsContact O-N 3.16Å; S235-T237 PolarHBondContact O-N 3.15Å; S235-T237 PolarHBondContact OG-N 3.11Å; S235-T237 PolarHBondContact OG-OG1 3.45Å; S235-N238 WeakPolarHBondContact O-CA 3.48Å; S235-N238 PolarHBondContact O-N 3.19Å; S235-A239 PolarHBondContact O-N 3.38Å
236	K	92.1	Very high	95	Very high	95 Å²	95	36.8 Å²	36.8	41%	0.413	19%	0.193	S	C	.	.	H	α-helix	trans	-44.9	-37.4	170.9	-67.9	-176.4	173	174.7	0	112.4	K234 N238 R240 I284 D375 E377	K234-K236 PolarHBondContact O-N 3.09Å; K236-N238 PolarHBondContact O-N 3.22Å; K236-R240 WeakPolarHBondContact O-CB 3.16Å; K236-R240 PolarHBondContact O-N 3.34Å; K236-I284 HydrophobicContact CB-CG2 3.75Å; K236-I284 HydrophobicContact CD-CG2 4.29Å; K236-I284 HydrophobicContact CG-CG2 3.69Å; K236-D375 PolarHBondContact NZ-O 3.22Å; K236-E377 PolarHBondContact NZ-O 3.21Å
237	T	94.1	Very high	95.1	Very high	54 Å²	54	37.7 Å²	37.7	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-72.8	-25.7	178.3	79.6	0	0	0	0	114.8	S235 R241	S235-T237 PolarHBondContact O-N 3.15Å; S235-T237 PolarHBondContact OG-N 3.11Å; S235-T237 PolarHBondContact OG-OG1 3.45Å; T237-R241 WeakPolarHBondContact O-CG 3.42Å; T237-R241 PolarHBondContact O-N 2.76Å; T237-R241 PolarHBondContact O-NH1 2.75Å; T237-R241 VanDerWaalsContact O-NH1 3.17Å; T237-R241 PolarHBondContact OG1-NH1 2.98Å
238	N	96	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-86.2	-37	175.6	-74.7	-16	0	0	0	111.5	A195 G199 V204 L232 S235 K236 R240 R241 A242	A195-N238 PolarHBondContact O-ND2 3.46Å; G199-N238 WeakPolarHBondContact CA-OD1 3.42Å; V204-N238 HydrophobicContact CG2-CB 4.32Å; L232-N238 VanDerWaalsContact O-CB 3.24Å; L232-N238 WeakPolarHBondContact O-CB 3.36Å; L232-N238 PolarHBondContact O-ND2 2.87Å; S235-N238 WeakPolarHBondContact O-CA 3.48Å; S235-N238 PolarHBondContact O-N 3.19Å; K236-N238 PolarHBondContact O-N 3.22Å; N238-R240 VanDerWaalsContact C-N 3.28Å; N238-R240 PolarHBondContact O-N 2.75Å; N238-R241 PolarHBondContact O-N 3.45Å; N238-R241 PolarHBondContact OD1-NH1 3.44Å; N238-A242 PolarHBondContact O-N 2.84Å
239	A	95.7	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.1	-47.8	166.3	0	0	0	0	0	110.6	S235 R241 A242 V243 I281 I284	S235-A239 PolarHBondContact O-N 3.38Å; A239-R241 PolarHBondContact O-N 3.34Å; A239-A242 PolarHBondContact O-N 2.86Å; A239-A242 VanDerWaalsContact O-N 3.16Å; A239-V243 WeakPolarHBondContact O-CG2 3.34Å; A239-V243 PolarHBondContact O-N 2.83Å; A239-I281 HydrophobicContact CB-CG1 4.38Å; A239-I284 HydrophobicContact CB-CD1 3.84Å; A239-I284 HydrophobicContact CB-CG1 3.94Å
240	R	95.1	Very high	95.1	Very high	103 Å²	103	41.7 Å²	41.7	39%	0.389	22%	0.224	S	C	.	.	H	α-helix	trans	-56.6	-48.2	175.2	-178.1	67.4	-152.3	-134.8	12.3	112.5	K236 N238 A242 V243 D244 I284	K236-R240 WeakPolarHBondContact O-CB 3.16Å; K236-R240 PolarHBondContact O-N 3.34Å; N238-R240 VanDerWaalsContact C-N 3.28Å; N238-R240 PolarHBondContact O-N 2.75Å; R240-A242 VanDerWaalsContact C-N 3.34Å; R240-A242 PolarHBondContact O-N 3.25Å; R240-V243 PolarHBondContact O-N 2.91Å; R240-D244 WeakPolarHBondContact CG-OD2 3.41Å; R240-D244 IonicContact CZ-OD1 2.98Å; R240-D244 VanDerWaalsContact CZ-OD1 3.24Å; R240-D244 IonicContact CZ-OD2 2.57Å; R240-D244 VanDerWaalsContact NE-CG 3.26Å; R240-D244 IonicContact NE-OD1 2.96Å; R240-D244 PolarHBondContact NE-OD1 2.85Å; R240-D244 IonicContact NE-OD2 2.82Å; R240-D244 PolarHBondContact NE-OD2 2.88Å; R240-D244 IonicContact NH2-OD1 3.61Å; R240-D244 PolarHBondContact NH2-OD1 3.19Å; R240-D244 IonicContact NH2-OD2 3.91Å; R240-D244 VanDerWaalsContact O-CG 3.31Å; R240-D244 PolarHBondContact O-N 3.26Å; R240-I284 HydrophobicContact CB-CD1 4.01Å
241	R	95.3	Very high	95.1	Very high	72 Å²	72	41.5 Å²	41.5	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-56.7	-44.5	174.6	-72.2	170.5	-171.2	98.3	24.3	112.4	T237 N238 A239 V243 D244 S245	T237-R241 WeakPolarHBondContact O-CG 3.42Å; T237-R241 PolarHBondContact O-N 2.76Å; T237-R241 PolarHBondContact O-NH1 2.75Å; T237-R241 VanDerWaalsContact O-NH1 3.17Å; T237-R241 PolarHBondContact OG1-NH1 2.98Å; N238-R241 PolarHBondContact O-N 3.45Å; N238-R241 PolarHBondContact OD1-NH1 3.44Å; A239-R241 PolarHBondContact O-N 3.34Å; R241-V243 VanDerWaalsContact C-N 3.31Å; R241-V243 PolarHBondContact O-N 2.91Å; R241-D244 PolarHBondContact O-N 3.1Å; R241-S245 WeakPolarHBondContact O-CB 3.5Å; R241-S245 PolarHBondContact O-N 3.35Å; R241-S245 PolarHBondContact O-OG 3.4Å
242	A	95.9	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-33.5	-180	0	0	0	0	0	112.9	V204 F208 L233 N238 A239 R240 G246 H247 I281	V204-A242 HydrophobicContact CG1-CB 4.25Å; F208-A242 HydrophobicContact CE2-CB 4.02Å; F208-A242 HydrophobicContact CZ-CB 4.46Å; L233-A242 HydrophobicContact CD2-CB 3.68Å; N238-A242 PolarHBondContact O-N 2.84Å; A239-A242 PolarHBondContact O-N 2.86Å; A239-A242 VanDerWaalsContact O-N 3.16Å; R240-A242 VanDerWaalsContact C-N 3.34Å; R240-A242 PolarHBondContact O-N 3.25Å; A242-G246 PolarHBondContact O-N 2.97Å; A242-H247 WeakPolarHBondContact O-CB 3.44Å; A242-H247 PolarHBondContact O-N 3.13Å; A242-I281 HydrophobicContact CB-CD1 3.94Å; A242-I281 HydrophobicContact CB-CG1 4.36Å
243	V	96.3	Very high	95.2	Very high	22 Å²	22	43.5 Å²	43.5	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-51.3	171.9	172.8	0	0	0	0	111	A239 R240 R241 S245 G246 V248 I281 I284 L286 A290	A239-V243 WeakPolarHBondContact O-CG2 3.34Å; A239-V243 PolarHBondContact O-N 2.83Å; R240-V243 PolarHBondContact O-N 2.91Å; R241-V243 VanDerWaalsContact C-N 3.31Å; R241-V243 PolarHBondContact O-N 2.91Å; V243-S245 PolarHBondContact O-N 2.93Å; V243-G246 PolarHBondContact O-N 3.37Å; V243-V248 HydrophobicContact CG2-CG2 4.16Å; V243-I281 HydrophobicContact CG2-CG2 3.56Å; V243-I284 HydrophobicContact CG2-CD1 4.5Å; V243-L286 HydrophobicContact CG1-CB 4.35Å; V243-A290 HydrophobicContact CG1-CB 3.85Å
244	D	95.3	Very high	95.1	Very high	96 Å²	96	43.8 Å²	43.8	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-29.8	-178.1	-67.4	-36	0	0	0	113	R240 R241 G246	R240-D244 WeakPolarHBondContact CG-OD2 3.41Å; R240-D244 IonicContact CZ-OD1 2.98Å; R240-D244 VanDerWaalsContact CZ-OD1 3.24Å; R240-D244 IonicContact CZ-OD2 2.57Å; R240-D244 VanDerWaalsContact NE-CG 3.26Å; R240-D244 IonicContact NE-OD1 2.96Å; R240-D244 PolarHBondContact NE-OD1 2.85Å; R240-D244 IonicContact NE-OD2 2.82Å; R240-D244 PolarHBondContact NE-OD2 2.88Å; R240-D244 IonicContact NH2-OD1 3.61Å; R240-D244 PolarHBondContact NH2-OD1 3.19Å; R240-D244 IonicContact NH2-OD2 3.91Å; R240-D244 VanDerWaalsContact O-CG 3.31Å; R240-D244 PolarHBondContact O-N 3.26Å; R241-D244 PolarHBondContact O-N 3.1Å; D244-G246 VanDerWaalsContact C-N 3.34Å
245	S	95	Very high	95.2	Very high	64 Å²	64	36.6 Å²	36.6	45%	0.448	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	4.2	173.9	-63.6	0	0	0	0	114.4	E205 R241 V243 H247	E205-S245 WeakPolarHBondContact OE1-CB 3.32Å; E205-S245 PolarHBondContact OE1-OG 3.41Å; R241-S245 WeakPolarHBondContact O-CB 3.5Å; R241-S245 PolarHBondContact O-N 3.35Å; R241-S245 PolarHBondContact O-OG 3.4Å; V243-S245 PolarHBondContact O-N 2.93Å; S245-H247 WeakPolarHBondContact CB-NE2 3.45Å
246	G	94.9	Very high	95.2	Very high	40 Å²	40	37.4 Å²	37.4	41%	0.412	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	22.2	171.8	0	0	0	0	0	115.6	A242 V243 D244 V248	A242-G246 PolarHBondContact O-N 2.97Å; V243-G246 PolarHBondContact O-N 3.37Å; D244-G246 VanDerWaalsContact C-N 3.34Å; G246-V248 PolarHBondContact O-N 2.99Å
247	H	95.8	Very high	95.3	Very high	21 Å²	21	36 Å²	36	10%	0.097	21%	0.208	C	C	.	.	H	α-helix	trans	-80.5	-7.5	-173.7	-65.5	-67.4	0	0	0	115.1	E205 F208 A242 S245 V250 L251	E205-H247 VanDerWaalsContact CD-NE2 3.29Å; E205-H247 IonicContact OE1-CD2 3.28Å; E205-H247 IonicContact OE1-NE2 3.28Å; E205-H247 PolarHBondContact OE1-NE2 2.77Å; E205-H247 IonicContact OE2-CE1 3.78Å; E205-H247 PolarHBondContact OE2-CE1 2.77Å; E205-H247 IonicContact OE2-NE2 2.89Å; E205-H247 PolarHBondContact OE2-NE2 2.99Å; F208-H247 HydrophobicContact CD1-CB 4.08Å; F208-H247 AromaticContact CD1-CG 3.94Å; F208-H247 AromaticContact CD1-ND1 3.72Å; F208-H247 HydrophobicContact CD2-CB 4.06Å; F208-H247 AromaticContact CD2-CD2 3.47Å; F208-H247 VanDerWaalsContact CD2-CD2 3.47Å; F208-H247 WeakPolarHBondContact CD2-CD2 3.38Å; F208-H247 AromaticContact CD2-CE1 3.82Å; F208-H247 AromaticContact CD2-CG 3.49Å; F208-H247 VanDerWaalsContact CD2-CG 3.49Å; F208-H247 AromaticContact CD2-ND1 3.72Å; F208-H247 AromaticContact CD2-NE2 3.67Å; F208-H247 HydrophobicContact CE1-CB 3.67Å; F208-H247 HydrophobicContact CE2-CB 3.63Å; F208-H247 AromaticContact CE2-CD2 3.64Å; F208-H247 AromaticContact CE2-CG 3.57Å; F208-H247 HydrophobicContact CG-CB 4.28Å; F208-H247 AromaticContact CG-CE1 3.7Å; F208-H247 AromaticContact CG-CG 3.7Å; F208-H247 AromaticContact CG-ND1 3.46Å; F208-H247 WeakPolarHBondContact CG-ND1 3.14Å; F208-H247 HydrophobicContact CZ-CB 3.43Å; F208-H247 VanDerWaalsContact CZ-CB 3.43Å; F208-H247 AromaticContact CZ-CG 3.85Å; A242-H247 WeakPolarHBondContact O-CB 3.44Å; A242-H247 PolarHBondContact O-N 3.13Å; S245-H247 WeakPolarHBondContact CB-NE2 3.45Å; H247-V250 WeakPolarHBondContact O-CB 3.4Å; H247-V250 PolarHBondContact O-N 3.13Å; H247-L251 PolarHBondContact O-N 3.03Å
248	V	96.2	Very high	95.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-49.7	-179.6	177.4	0	0	0	0	112.4	V243 G246 V250 L251 L252 L278 I281 A290 F291	V243-V248 HydrophobicContact CG2-CG2 4.16Å; G246-V248 PolarHBondContact O-N 2.99Å; V248-V250 PolarHBondContact O-N 2.75Å; V248-L251 PolarHBondContact O-N 2.94Å; V248-L252 HydrophobicContact CG1-CD1 4.3Å; V248-L252 PolarHBondContact O-N 3.12Å; V248-L252 VanDerWaalsContact O-N 3.16Å; V248-L278 HydrophobicContact CG1-CD2 4.21Å; V248-I281 HydrophobicContact CG2-CD1 4.34Å; V248-I281 HydrophobicContact CG2-CG2 3.79Å; V248-A290 HydrophobicContact CB-CB 4.35Å; V248-A290 HydrophobicContact CG2-CB 4.22Å; V248-F291 HydrophobicContact CG1-CB 4.12Å
249	P	96.1	Very high	95	Very high	68 Å²	68	34.5 Å²	34.5	44%	0.442	20%	0.197	S	C	.	.	H	α-helix	trans	-54.7	-35.9	167.9	-27	33	0	0	0	114	L252 A253 A294	P249-L252 PolarHBondContact O-N 3.03Å; P249-A253 WeakPolarHBondContact O-CB 3.32Å; P249-A253 PolarHBondContact O-N 2.64Å; P249-A294 HydrophobicContact CB-CB 4.47Å; P249-A294 HydrophobicContact CG-CB 3.94Å
250	V	94.9	Very high	94.8	Very high	56 Å²	56	42.6 Å²	42.6	34%	0.339	23%	0.228	S	C	.	.	H	α-helix	trans	-67	-42.3	-179.6	-175.5	0	0	0	0	111.2	H247 V248 L254	H247-V250 WeakPolarHBondContact O-CB 3.4Å; H247-V250 PolarHBondContact O-N 3.13Å; V248-V250 PolarHBondContact O-N 2.75Å; V250-L254 HydrophobicContact CG1-CD1 4.15Å; V250-L254 WeakPolarHBondContact O-CB 3.32Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.37Å
251	L	95.9	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-41.4	174.2	-75	172.1	0	0	0	112.2	F208 H247 V248 Y255 L274 C277 L278 I281	F208-L251 HydrophobicContact CE1-CD1 4.28Å; F208-L251 HydrophobicContact CE1-CD2 3.8Å; F208-L251 HydrophobicContact CE1-CG 3.85Å; F208-L251 HydrophobicContact CZ-CD1 4.18Å; F208-L251 HydrophobicContact CZ-CD2 4.41Å; F208-L251 HydrophobicContact CZ-CG 4.26Å; H247-L251 PolarHBondContact O-N 3.03Å; V248-L251 PolarHBondContact O-N 2.94Å; L251-Y255 VanDerWaalsContact O-CB 3.28Å; L251-Y255 WeakPolarHBondContact O-CB 3.12Å; L251-Y255 PolarHBondContact O-N 3.03Å; L251-L274 HydrophobicContact CD2-CD2 3.67Å; L251-C277 HydrophobicContact CD1-CB 3.94Å; L251-C277 HydrophobicContact CD2-CB 3.95Å; L251-L278 HydrophobicContact CB-CD1 4.47Å; L251-L278 HydrophobicContact CB-CD2 3.68Å; L251-L278 HydrophobicContact CB-CG 3.98Å; L251-L278 HydrophobicContact CD1-CD2 3.89Å; L251-L278 HydrophobicContact CD1-CG 4.19Å; L251-L278 HydrophobicContact CG-CD2 4.45Å; L251-I281 HydrophobicContact CD1-CD1 3.59Å
252	L	96.5	Very high	94	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-44.5	177.7	-74.3	164.5	0	0	0	112	V248 P249 Y255 L256 L278 F291 A294 I299 L300	V248-L252 HydrophobicContact CG1-CD1 4.3Å; V248-L252 PolarHBondContact O-N 3.12Å; V248-L252 VanDerWaalsContact O-N 3.16Å; P249-L252 PolarHBondContact O-N 3.03Å; L252-Y255 PolarHBondContact O-N 2.94Å; L252-L256 PolarHBondContact O-N 2.87Å; L252-L278 HydrophobicContact CD2-CD1 3.9Å; L252-L278 HydrophobicContact CG-CD1 4.3Å; L252-L278 HydrophobicContact CG-CD2 4.3Å; L252-F291 HydrophobicContact CD1-CD2 4.28Å; L252-F291 HydrophobicContact CD2-CD2 4.39Å; L252-F291 HydrophobicContact CD2-CE2 3.94Å; L252-A294 HydrophobicContact CD1-CB 3.58Å; L252-I299 HydrophobicContact CB-CD1 4.2Å; L252-I299 HydrophobicContact CD1-CD1 4.45Å; L252-I299 HydrophobicContact CD2-CB 4.31Å; L252-I299 HydrophobicContact CD2-CD1 4.46Å; L252-I299 HydrophobicContact CD2-CG2 3.89Å; L252-L300 HydrophobicContact CD2-CD2 4.41Å
253	A	95	Very high	93.3	Very high	51 Å²	51	43.3 Å²	43.3	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-48.4	175.2	0	0	0	0	0	111.9	P249 Y255 L256 D257	P249-A253 WeakPolarHBondContact O-CB 3.32Å; P249-A253 PolarHBondContact O-N 2.64Å; A253-Y255 VanDerWaalsContact C-N 3.3Å; A253-Y255 PolarHBondContact O-N 3.49Å; A253-L256 PolarHBondContact O-N 3.12Å; A253-D257 PolarHBondContact O-N 3.39Å
254	L	94.4	Very high	92.7	Very high	7 Å²	7	51 Å²	51	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-40.6	175.3	-77.7	171	0	0	0	112.3	V211 V250 D257 W258 L274	V211-L254 HydrophobicContact CG2-CD1 4.37Å; V211-L254 WeakPolarHBondContact O-CD1 3.31Å; V211-L254 WeakPolarHBondContact O-CD2 3.37Å; V250-L254 HydrophobicContact CG1-CD1 4.15Å; V250-L254 WeakPolarHBondContact O-CB 3.32Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.37Å; L254-D257 PolarHBondContact O-N 2.86Å; L254-W258 PolarHBondContact O-N 2.99Å; L254-L274 HydrophobicContact CB-CD1 4.19Å; L254-L274 HydrophobicContact CB-CD2 3.99Å; L254-L274 HydrophobicContact CD1-CD2 4.33Å
255	Y	95.4	Very high	92.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-42.9	177.8	171.5	-92	0	0	0	111.6	L251 L252 A253 W258 H259 R271 L274 L275 L300 S303	L251-Y255 VanDerWaalsContact O-CB 3.28Å; L251-Y255 WeakPolarHBondContact O-CB 3.12Å; L251-Y255 PolarHBondContact O-N 3.03Å; L252-Y255 PolarHBondContact O-N 2.94Å; A253-Y255 VanDerWaalsContact C-N 3.3Å; A253-Y255 PolarHBondContact O-N 3.49Å; Y255-W258 PolarHBondContact O-N 2.88Å; Y255-H259 WeakPolarHBondContact O-CB 3.41Å; Y255-H259 PolarHBondContact O-N 2.87Å; Y255-R271 HydrophobicContact CD2-CB 4.34Å; Y255-R271 HydrophobicContact CE2-CB 4.06Å; Y255-R271 HydrophobicContact CE2-CG 4.37Å; Y255-R271 PolarHBondContact OH-NH2 2.82Å; Y255-L274 HydrophobicContact CD2-CB 4.4Å; Y255-L275 HydrophobicContact CD2-CD2 3.96Å; Y255-L275 HydrophobicContact CD2-CG 3.95Å; Y255-L275 HydrophobicContact CE2-CD1 3.83Å; Y255-L275 HydrophobicContact CE2-CD2 3.73Å; Y255-L275 HydrophobicContact CE2-CG 3.67Å; Y255-L300 HydrophobicContact CD1-CD2 4.12Å; Y255-L300 HydrophobicContact CE1-CD2 3.88Å; Y255-S303 VanDerWaalsContact CE1-OG 3.3Å; Y255-S303 WeakPolarHBondContact CE1-OG 3.32Å; Y255-S303 PolarHBondContact OH-OG 2.73Å
256	L	93.6	Very high	91.8	Very high	33 Å²	33	56.2 Å²	56.2	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-43.3	173.5	-77.9	173.5	0	0	0	112.6	L252 A253 W258 H259 R260 I299	L252-L256 PolarHBondContact O-N 2.87Å; A253-L256 PolarHBondContact O-N 3.12Å; L256-W258 PolarHBondContact O-N 2.79Å; L256-H259 PolarHBondContact O-N 2.89Å; L256-R260 WeakPolarHBondContact O-CB 3.22Å; L256-R260 VanDerWaalsContact O-CG 3.3Å; L256-R260 WeakPolarHBondContact O-CG 3.36Å; L256-R260 PolarHBondContact O-N 3.15Å; L256-I299 HydrophobicContact CD1-CD1 4.2Å; L256-I299 HydrophobicContact CD1-CG1 4.18Å; L256-I299 HydrophobicContact CD1-CG2 3.85Å; L256-I299 HydrophobicContact CD2-CG2 3.98Å; L256-I299 HydrophobicContact CG-CG2 3.77Å
257	D	93.1	Very high	91.5	Very high	64 Å²	64	55.4 Å²	55.4	34%	0.342	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-44.3	177.6	-80.6	-18.3	0	0	0	111.7	Y214 A253 L254 N261	Y214-D257 HydrophobicContact CD2-CB 3.72Å; Y214-D257 HydrophobicContact CE2-CB 4.18Å; Y214-D257 HydrophobicContact CG-CB 4.33Å; A253-D257 PolarHBondContact O-N 3.39Å; L254-D257 PolarHBondContact O-N 2.86Å; D257-N261 VanDerWaalsContact O-CB 3.25Å; D257-N261 WeakPolarHBondContact O-CB 3.46Å; D257-N261 PolarHBondContact O-N 3.31Å; D257-N261 PolarHBondContact O-ND2 2.9Å
258	W	92.5	Very high	91.2	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-40.3	174.5	-82.7	107.3	0	0	0	112.7	Y214 S215 T219 F222 L254 Y255 L256 N261 D262 C267 I270 R271 L274	Y214-W258 HydrophobicContact CD2-CD2 4.26Å; Y214-W258 AromaticContact CD2-CE2 3.94Å; Y214-W258 HydrophobicContact CD2-CG 4.37Å; Y214-W258 HydrophobicContact CD2-CZ2 4.38Å; Y214-W258 AromaticContact CD2-NE1 3.87Å; Y214-W258 AromaticContact CE2-CD2 3.54Å; Y214-W258 HydrophobicContact CE2-CD2 3.54Å; Y214-W258 AromaticContact CE2-CE2 3.58Å; Y214-W258 AromaticContact CE2-CE3 3.88Å; Y214-W258 HydrophobicContact CE2-CE3 3.88Å; Y214-W258 AromaticContact CE2-CG 3.88Å; Y214-W258 HydrophobicContact CE2-CG 3.88Å; Y214-W258 HydrophobicContact CE2-CH2 4.28Å; Y214-W258 AromaticContact CE2-CZ2 3.98Å; Y214-W258 HydrophobicContact CE2-CZ2 3.98Å; Y214-W258 HydrophobicContact CE2-CZ3 4.23Å; Y214-W258 AromaticContact CE2-NE1 3.92Å; S215-W258 VanDerWaalsContact O-CH2 3.25Å; S215-W258 WeakPolarHBondContact O-CH2 3.47Å; S215-W258 WeakPolarHBondContact O-CZ2 3.44Å; T219-W258 HydrophobicContact CG2-CH2 4.09Å; F222-W258 HydrophobicContact CD1-CZ2 4.38Å; L254-W258 PolarHBondContact O-N 2.99Å; Y255-W258 PolarHBondContact O-N 2.88Å; L256-W258 PolarHBondContact O-N 2.79Å; W258-N261 PolarHBondContact O-N 2.9Å; W258-D262 WeakPolarHBondContact O-CB 3.23Å; W258-D262 PolarHBondContact O-N 2.98Å; W258-C267 HydrophobicContact CE3-CB 3.75Å; W258-C267 HydrophobicContact CZ3-CB 3.75Å; W258-I270 HydrophobicContact CD2-CG2 3.87Å; W258-I270 HydrophobicContact CG-CG2 3.98Å; W258-I270 HydrophobicContact CH2-CD1 3.86Å; W258-I270 HydrophobicContact CZ2-CD1 3.97Å; W258-I270 HydrophobicContact CZ2-CG2 4.29Å; W258-I270 HydrophobicContact CZ3-CD1 4.15Å; W258-R271 HydrophobicContact CB-CG 4.13Å; W258-L274 HydrophobicContact CG-CD1 4.42Å
259	H	92	Very high	90.9	Very high	19 Å²	19	60.5 Å²	60.5	9%	0.088	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-50.4	177.8	175.6	15.2	0	0	0	112.5	Y255 L256 N261 D262 S303 E306	Y255-H259 WeakPolarHBondContact O-CB 3.41Å; Y255-H259 PolarHBondContact O-N 2.87Å; L256-H259 PolarHBondContact O-N 2.89Å; H259-N261 PolarHBondContact O-N 2.86Å; H259-D262 PolarHBondContact O-N 2.86Å; H259-S303 WeakPolarHBondContact CD2-CB 3.46Å; H259-S303 WeakPolarHBondContact NE2-CA 3.37Å; H259-S303 VanDerWaalsContact NE2-CB 3.29Å; H259-S303 WeakPolarHBondContact NE2-CB 3.34Å; H259-S303 PolarHBondContact NE2-O 3.19Å; H259-E306 IonicContact CE1-OE2 2.64Å; H259-E306 PolarHBondContact CE1-OE2 2.81Å; H259-E306 VanDerWaalsContact CE1-OE2 3.3Å; H259-E306 IonicContact NE2-OE2 3.06Å; H259-E306 PolarHBondContact NE2-OE2 3.42Å
260	R	90.8	Very high	90.8	Very high	170 Å²	170	57.5 Å²	57.5	64%	0.642	28%	0.276	S	S	*	.	H	α-helix	trans	-63.4	-29	178.8	-70.4	168.7	174.4	168.3	-2.6	112.9	L256	L256-R260 WeakPolarHBondContact O-CB 3.22Å; L256-R260 VanDerWaalsContact O-CG 3.3Å; L256-R260 WeakPolarHBondContact O-CG 3.36Å; L256-R260 PolarHBondContact O-N 3.15Å
261	N	88.7	Confident	90.7	Very high	66 Å²	66	55 Å²	55	35%	0.353	26%	0.261	S	S	.	.	H	α-helix	trans	-95.8	-13.9	-176.6	-83	-88.8	0	0	0	115.4	Y214 K216 D257 W258 H259 T263	Y214-N261 WeakPolarHBondContact OH-CB 3.42Å; K216-N261 WeakPolarHBondContact CE-OD1 3.5Å; K216-N261 PolarHBondContact NZ-OD1 3.07Å; D257-N261 VanDerWaalsContact O-CB 3.25Å; D257-N261 WeakPolarHBondContact O-CB 3.46Å; D257-N261 PolarHBondContact O-N 3.31Å; D257-N261 PolarHBondContact O-ND2 2.9Å; W258-N261 PolarHBondContact O-N 2.9Å; H259-N261 PolarHBondContact O-N 2.86Å; N261-T263 PolarHBondContact O-N 3.07Å
262	D	86.8	Confident	90.7	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.053	27%	0.27	C	S	.	.			trans	-102.8	53.3	-175.9	-168.1	30.3	0	0	0	112.5	W258 H259 R264 H265 R266 C267 M268	W258-D262 WeakPolarHBondContact O-CB 3.23Å; W258-D262 PolarHBondContact O-N 2.98Å; H259-D262 PolarHBondContact O-N 2.86Å; D262-R264 PolarHBondContact O-N 3.38Å; D262-H265 PolarHBondContact O-N 2.75Å; D262-H265 PolarHBondContact O-ND1 3.16Å; D262-H265 PolarHBondContact OD1-N 2.97Å; D262-H265 WeakPolarHBondContact OD2-CA 3.49Å; D262-R266 PolarHBondContact OD1-N 3Å; D262-R266 PolarHBondContact OD2-N 3Å; D262-C267 HydrophobicContact CB-CB 4.3Å; D262-C267 VanDerWaalsContact CG-N 3.3Å; D262-C267 PolarHBondContact OD1-N 3.28Å; D262-C267 VanDerWaalsContact OD2-C 3.22Å; D262-C267 WeakPolarHBondContact OD2-CA 3.41Å; D262-C267 WeakPolarHBondContact OD2-CB 3.31Å; D262-C267 PolarHBondContact OD2-N 2.72Å; D262-M268 PolarHBondContact OD2-N 2.77Å
263	T	80.9	Confident	90.6	Very high	115 Å²	115	57.3 Å²	57.3	71%	0.706	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-1.1	178.1	58.2	0	0	0	0	114.7	N261	N261-T263 PolarHBondContact O-N 3.07Å
264	R	82.9	Confident	90.7	Very high	182 Å²	182	55 Å²	55	69%	0.687	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	8.5	172.2	-63	-174	178.9	-174	-0.9	113	D262 R266	D262-R264 PolarHBondContact O-N 3.38Å; R264-R266 HydrophobicContact CB-CG 4.09Å; R264-R266 PolarHBondContact O-N 2.7Å
265	H	86.4	Confident	90.8	Very high	73 Å²	73	54.7 Å²	54.7	34%	0.338	25%	0.251	S	S	.	.			trans	54.9	24.5	175.6	-46.9	-28.3	0	0	0	114.9	D262 C267 M268 L313	D262-H265 PolarHBondContact O-N 2.75Å; D262-H265 PolarHBondContact O-ND1 3.16Å; D262-H265 PolarHBondContact OD1-N 2.97Å; D262-H265 WeakPolarHBondContact OD2-CA 3.49Å; H265-C267 VanDerWaalsContact C-N 3.26Å; H265-C267 PolarHBondContact O-N 2.7Å; H265-M268 PolarHBondContact O-N 2.63Å; H265-L313 HydrophobicContact CB-CD2 4.02Å
266	R	85.4	Confident	90.8	Very high	197 Å²	197	56.1 Å²	56.1	74%	0.743	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-15.6	-177.6	-65.8	-177.4	174.2	-166	-6.7	112.6	D262 R264	D262-R266 PolarHBondContact OD1-N 3Å; D262-R266 PolarHBondContact OD2-N 3Å; R264-R266 HydrophobicContact CB-CG 4.09Å; R264-R266 PolarHBondContact O-N 2.7Å
267	C	87.6	Confident	91	Very high	23 Å²	23	54.5 Å²	54.5	16%	0.155	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	17.8	-180	-54.5	0	0	0	0	111.8	W258 D262 H265 L269 I270 R271	W258-C267 HydrophobicContact CE3-CB 3.75Å; W258-C267 HydrophobicContact CZ3-CB 3.75Å; D262-C267 HydrophobicContact CB-CB 4.3Å; D262-C267 VanDerWaalsContact CG-N 3.3Å; D262-C267 PolarHBondContact OD1-N 3.28Å; D262-C267 VanDerWaalsContact OD2-C 3.22Å; D262-C267 WeakPolarHBondContact OD2-CA 3.41Å; D262-C267 WeakPolarHBondContact OD2-CB 3.31Å; D262-C267 PolarHBondContact OD2-N 2.72Å; H265-C267 VanDerWaalsContact C-N 3.26Å; H265-C267 PolarHBondContact O-N 2.7Å; C267-L269 PolarHBondContact O-N 3Å; C267-L269 VanDerWaalsContact O-N 3.08Å; C267-I270 HydrophobicContact CB-CD1 4.2Å; C267-I270 WeakPolarHBondContact O-CA 3.42Å; C267-I270 WeakPolarHBondContact O-CB 3.42Å; C267-I270 PolarHBondContact O-N 3.21Å; C267-R271 PolarHBondContact O-N 3.16Å
268	M	90.6	Very high	91.2	Very high	37 Å²	37	51.5 Å²	51.5	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-46.4	-39.4	175.2	-176.6	-150.6	176.1	0	0	112.9	D262 H265 I270 R271 K272 T312 L313 P315 L316	D262-M268 PolarHBondContact OD2-N 2.77Å; H265-M268 PolarHBondContact O-N 2.63Å; M268-I270 VanDerWaalsContact C-N 3.29Å; M268-I270 PolarHBondContact O-N 3.15Å; M268-R271 CarbonylContact O-C 3.6Å; M268-R271 WeakPolarHBondContact O-CB 3.34Å; M268-R271 PolarHBondContact O-N 3.34Å; M268-R271 VanDerWaalsContact O-N 3.15Å; M268-K272 PolarHBondContact O-N 3.25Å; M268-T312 WeakPolarHBondContact CE-O 3.3Å; M268-L313 HydrophobicContact CG-CD2 4.11Å; M268-P315 HydrophobicContact CE-CB 3.98Å; M268-P315 HydrophobicContact CE-CG 3.89Å; M268-L316 HydrophobicContact CE-CG 4.16Å; M268-L316 HydrophobicContact CG-CD1 3.92Å; M268-L316 HydrophobicContact CG-CD2 4.25Å; M268-L316 HydrophobicContact CG-CG 4.1Å
269	L	90.6	Very high	91.3	Very high	94 Å²	94	52.8 Å²	52.8	49%	0.492	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-25.8	178.8	-58.4	-177.4	0	0	0	113.7	K223 C267 G273	K223-L269 HydrophobicContact CD-CB 4.14Å; K223-L269 HydrophobicContact CD-CD1 4.2Å; K223-L269 HydrophobicContact CG-CB 4.42Å; C267-L269 PolarHBondContact O-N 3Å; C267-L269 VanDerWaalsContact O-N 3.08Å; L269-G273 PolarHBondContact O-N 3.09Å
270	I	93.3	Very high	91.5	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-73.5	-42.1	171.3	-59.7	-179.9	0	0	0	109.4	T219 F222 K223 L226 W258 C267 M268 K272 G273 L274	T219-I270 HydrophobicContact CG2-CD1 4.25Å; F222-I270 HydrophobicContact CB-CD1 4.03Å; K223-I270 HydrophobicContact CB-CG1 4.42Å; L226-I270 HydrophobicContact CD1-CB 4.41Å; L226-I270 HydrophobicContact CD1-CG2 3.63Å; W258-I270 HydrophobicContact CD2-CG2 3.87Å; W258-I270 HydrophobicContact CG-CG2 3.98Å; W258-I270 HydrophobicContact CH2-CD1 3.86Å; W258-I270 HydrophobicContact CZ2-CD1 3.97Å; W258-I270 HydrophobicContact CZ2-CG2 4.29Å; W258-I270 HydrophobicContact CZ3-CD1 4.15Å; C267-I270 HydrophobicContact CB-CD1 4.2Å; C267-I270 WeakPolarHBondContact O-CA 3.42Å; C267-I270 WeakPolarHBondContact O-CB 3.42Å; C267-I270 PolarHBondContact O-N 3.21Å; M268-I270 VanDerWaalsContact C-N 3.29Å; M268-I270 PolarHBondContact O-N 3.15Å; I270-K272 PolarHBondContact O-N 3.39Å; I270-G273 PolarHBondContact O-N 3.13Å; I270-L274 HydrophobicContact CG2-CD1 4.3Å; I270-L274 WeakPolarHBondContact O-CG 3.38Å; I270-L274 PolarHBondContact O-N 3.38Å
271	R	93.6	Very high	91.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-45.5	171.5	-68.6	179.2	67.5	-164.6	-2.8	111.5	Y255 W258 C267 M268 L274 L275 C307 L316	Y255-R271 HydrophobicContact CD2-CB 4.34Å; Y255-R271 HydrophobicContact CE2-CB 4.06Å; Y255-R271 HydrophobicContact CE2-CG 4.37Å; Y255-R271 PolarHBondContact OH-NH2 2.82Å; W258-R271 HydrophobicContact CB-CG 4.13Å; C267-R271 PolarHBondContact O-N 3.16Å; M268-R271 CarbonylContact O-C 3.6Å; M268-R271 WeakPolarHBondContact O-CB 3.34Å; M268-R271 PolarHBondContact O-N 3.34Å; M268-R271 VanDerWaalsContact O-N 3.15Å; R271-L274 PolarHBondContact O-N 3.46Å; R271-L275 WeakPolarHBondContact O-CG 3.23Å; R271-L275 PolarHBondContact O-N 2.79Å; R271-C307 PolarHBondContact NH2-SG 3.38Å; R271-L316 HydrophobicContact CB-CD1 3.92Å; R271-L316 HydrophobicContact CB-CD2 3.91Å
272	K	94.1	Very high	92	Very high	46 Å²	46	41.1 Å²	41.1	20%	0.2	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-42.7	175	-168.1	176.4	179.8	-174.3	0	111.5	M268 I270 L274 L275 V276 L316 E1207	M268-K272 PolarHBondContact O-N 3.25Å; I270-K272 PolarHBondContact O-N 3.39Å; K272-L274 VanDerWaalsContact C-N 3.32Å; K272-L274 PolarHBondContact O-N 3.47Å; K272-L275 PolarHBondContact O-N 2.9Å; K272-V276 HydrophobicContact CG-CG2 4.18Å; K272-V276 WeakPolarHBondContact O-CG2 3.28Å; K272-V276 PolarHBondContact O-N 3.36Å; K272-L316 HydrophobicContact CB-CD2 3.71Å; K272-L316 HydrophobicContact CG-CD2 4.5Å; K272-E1207 IonicContact NZ-OE1 2.78Å; K272-E1207 PolarHBondContact NZ-OE1 3.17Å; K272-E1207 IonicContact NZ-OE2 3.24Å; K272-E1207 PolarHBondContact NZ-OE2 2.89Å
273	G	94.9	Very high	92.2	Very high	6 Å²	6	42.9 Å²	42.9	6%	0.062	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-41.5	176.7	0	0	0	0	0	113.5	L269 I270 V276 C277	L269-G273 PolarHBondContact O-N 3.09Å; I270-G273 PolarHBondContact O-N 3.13Å; G273-V276 PolarHBondContact O-N 3.48Å; G273-C277 PolarHBondContact O-N 2.98Å; G273-C277 VanDerWaalsContact O-N 3.08Å; G273-C277 PolarHBondContact O-SG 3.45Å
274	L	96.4	Very high	92.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-44.6	174.7	-71.6	162	0	0	0	112	L226 L251 L254 Y255 W258 I270 R271 K272 V276 C277 L278	L226-L274 HydrophobicContact CD1-CD2 4.31Å; L226-L274 HydrophobicContact CD1-CG 3.89Å; L226-L274 HydrophobicContact CD2-CD2 3.63Å; L226-L274 HydrophobicContact CD2-CG 4.02Å; L251-L274 HydrophobicContact CD2-CD2 3.67Å; L254-L274 HydrophobicContact CB-CD1 4.19Å; L254-L274 HydrophobicContact CB-CD2 3.99Å; L254-L274 HydrophobicContact CD1-CD2 4.33Å; Y255-L274 HydrophobicContact CD2-CB 4.4Å; W258-L274 HydrophobicContact CG-CD1 4.42Å; I270-L274 HydrophobicContact CG2-CD1 4.3Å; I270-L274 WeakPolarHBondContact O-CG 3.38Å; I270-L274 PolarHBondContact O-N 3.38Å; R271-L274 PolarHBondContact O-N 3.46Å; K272-L274 VanDerWaalsContact C-N 3.32Å; K272-L274 PolarHBondContact O-N 3.47Å; L274-V276 PolarHBondContact O-N 3.31Å; L274-C277 WeakPolarHBondContact O-CB 3.23Å; L274-C277 PolarHBondContact O-N 2.82Å; L274-L278 PolarHBondContact O-N 3.03Å
275	L	96.8	Very high	92.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-38.5	175.3	-66.9	174.6	0	0	0	112.2	Y255 R271 K272 C277 L278 R279 L300 L316 T319 I323	Y255-L275 HydrophobicContact CD2-CD2 3.96Å; Y255-L275 HydrophobicContact CD2-CG 3.95Å; Y255-L275 HydrophobicContact CE2-CD1 3.83Å; Y255-L275 HydrophobicContact CE2-CD2 3.73Å; Y255-L275 HydrophobicContact CE2-CG 3.67Å; R271-L275 WeakPolarHBondContact O-CG 3.23Å; R271-L275 PolarHBondContact O-N 2.79Å; K272-L275 PolarHBondContact O-N 2.9Å; L275-C277 VanDerWaalsContact C-N 3.33Å; L275-C277 PolarHBondContact O-N 3.01Å; L275-L278 HydrophobicContact CD2-CD1 4.48Å; L275-L278 PolarHBondContact O-N 3.46Å; L275-R279 WeakPolarHBondContact O-CB 3.26Å; L275-R279 PolarHBondContact O-N 3.4Å; L275-L300 HydrophobicContact CD2-CD1 4.16Å; L275-L300 HydrophobicContact CD2-CD2 3.6Å; L275-L316 HydrophobicContact CD1-CB 4.08Å; L275-L316 HydrophobicContact CD1-CD2 4.05Å; L275-L316 WeakPolarHBondContact CD1-O 3.2Å; L275-T319 HydrophobicContact CB-CG2 3.68Å; L275-I323 HydrophobicContact CB-CD1 4.31Å; L275-I323 HydrophobicContact CD2-CD1 4.19Å; L275-I323 WeakPolarHBondContact O-CD1 3.23Å
276	V	95.9	Very high	93.1	Very high	30 Å²	30	30.2 Å²	30.2	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-36	174.7	169	0	0	0	0	111.6	K272 G273 L274 N280	K272-V276 HydrophobicContact CG-CG2 4.18Å; K272-V276 WeakPolarHBondContact O-CG2 3.28Å; K272-V276 PolarHBondContact O-N 3.36Å; G273-V276 PolarHBondContact O-N 3.48Å; L274-V276 PolarHBondContact O-N 3.31Å; V276-N280 WeakPolarHBondContact O-CB 3.23Å; V276-N280 PolarHBondContact O-N 3.34Å; V276-N280 VanDerWaalsContact O-N 3.08Å; V276-N280 PolarHBondContact O-OD1 3.42Å
277	C	96.9	Very high	93.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-43.9	172.8	-65.4	0	0	0	0	111.6	L233 L251 G273 L274 L275 I281	L233-C277 HydrophobicContact CD1-CB 3.72Å; L251-C277 HydrophobicContact CD1-CB 3.94Å; L251-C277 HydrophobicContact CD2-CB 3.95Å; G273-C277 PolarHBondContact O-N 2.98Å; G273-C277 VanDerWaalsContact O-N 3.08Å; G273-C277 PolarHBondContact O-SG 3.45Å; L274-C277 WeakPolarHBondContact O-CB 3.23Å; L274-C277 PolarHBondContact O-N 2.82Å; L275-C277 VanDerWaalsContact C-N 3.33Å; L275-C277 PolarHBondContact O-N 3.01Å; C277-I281 WeakPolarHBondContact O-CG1 3.29Å; C277-I281 PolarHBondContact O-N 2.81Å; C277-I281 VanDerWaalsContact O-N 3.15Å
278	L	97.4	Very high	93.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-50.5	174.4	-72.3	169.8	0	0	0	111.5	V248 L251 L252 L274 L275 N280 I281 T282 F291 I323	V248-L278 HydrophobicContact CG1-CD2 4.21Å; L251-L278 HydrophobicContact CB-CD1 4.47Å; L251-L278 HydrophobicContact CB-CD2 3.68Å; L251-L278 HydrophobicContact CB-CG 3.98Å; L251-L278 HydrophobicContact CD1-CD2 3.89Å; L251-L278 HydrophobicContact CD1-CG 4.19Å; L251-L278 HydrophobicContact CG-CD2 4.45Å; L252-L278 HydrophobicContact CD2-CD1 3.9Å; L252-L278 HydrophobicContact CG-CD1 4.3Å; L252-L278 HydrophobicContact CG-CD2 4.3Å; L274-L278 PolarHBondContact O-N 3.03Å; L275-L278 HydrophobicContact CD2-CD1 4.48Å; L275-L278 PolarHBondContact O-N 3.46Å; L278-N280 VanDerWaalsContact C-N 3.31Å; L278-N280 PolarHBondContact O-N 2.84Å; L278-I281 WeakPolarHBondContact O-CA 3.17Å; L278-I281 PolarHBondContact O-N 3.35Å; L278-T282 WeakPolarHBondContact O-CG2 3.48Å; L278-T282 PolarHBondContact O-N 3.1Å; L278-T282 PolarHBondContact O-OG1 2.87Å; L278-T282 VanDerWaalsContact O-OG1 3.11Å; L278-F291 HydrophobicContact CD2-CD2 4.35Å; L278-I323 HydrophobicContact CB-CD1 4.05Å
279	R	95.8	Very high	94	Very high	30 Å²	30	25.7 Å²	25.7	11%	0.113	12%	0.12	C	C	.	.	H	α-helix	trans	-48.5	-52	176.5	-174.2	178.3	76.5	-173.7	8.5	111.6	L275 I281 T282 N283 I323 E1207	L275-R279 WeakPolarHBondContact O-CB 3.26Å; L275-R279 PolarHBondContact O-N 3.4Å; R279-I281 VanDerWaalsContact C-N 3.32Å; R279-I281 PolarHBondContact O-N 2.85Å; R279-T282 WeakPolarHBondContact CA-OG1 3.22Å; R279-T282 PolarHBondContact O-N 2.96Å; R279-T282 PolarHBondContact O-OG1 2.71Å; R279-N283 PolarHBondContact O-N 3.15Å; R279-N283 PolarHBondContact O-OD1 2.96Å; R279-I323 HydrophobicContact CB-CD1 4.18Å; R279-I323 HydrophobicContact CB-CG1 3.98Å; R279-I323 HydrophobicContact CG-CG1 4.48Å; R279-E1207 IonicContact NH1-OE2 3.39Å; R279-E1207 PolarHBondContact NH1-OE2 3.22Å; R279-E1207 VanDerWaalsContact NH1-OE2 3.14Å; R279-E1207 IonicContact NH2-OE2 3.95Å
280	N	95.3	Very high	94.2	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-68.9	-29.3	-177.2	-63.5	-0.9	0	0	0	112.4	G230 L233 V276 L278	G230-N280 PolarHBondContact O-ND2 3.02Å; L233-N280 HydrophobicContact CB-CB 3.93Å; V276-N280 WeakPolarHBondContact O-CB 3.23Å; V276-N280 PolarHBondContact O-N 3.34Å; V276-N280 VanDerWaalsContact O-N 3.08Å; V276-N280 PolarHBondContact O-OD1 3.42Å; L278-N280 VanDerWaalsContact C-N 3.31Å; L278-N280 PolarHBondContact O-N 2.84Å
281	I	95.6	Very high	94.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-71.4	-43.9	170.9	-70.7	164.7	0	0	0	111.2	L233 A239 A242 V243 V248 L251 C277 L278 R279 N283 I284	L233-I281 HydrophobicContact CD1-CD1 3.9Å; L233-I281 HydrophobicContact CD1-CG1 4.05Å; L233-I281 HydrophobicContact CD2-CD1 4.17Å; L233-I281 HydrophobicContact CD2-CG1 3.92Å; L233-I281 HydrophobicContact CG-CG1 4.44Å; A239-I281 HydrophobicContact CB-CG1 4.38Å; A242-I281 HydrophobicContact CB-CD1 3.94Å; A242-I281 HydrophobicContact CB-CG1 4.36Å; V243-I281 HydrophobicContact CG2-CG2 3.56Å; V248-I281 HydrophobicContact CG2-CD1 4.34Å; V248-I281 HydrophobicContact CG2-CG2 3.79Å; L251-I281 HydrophobicContact CD1-CD1 3.59Å; C277-I281 WeakPolarHBondContact O-CG1 3.29Å; C277-I281 PolarHBondContact O-N 2.81Å; C277-I281 VanDerWaalsContact O-N 3.15Å; L278-I281 WeakPolarHBondContact O-CA 3.17Å; L278-I281 PolarHBondContact O-N 3.35Å; R279-I281 VanDerWaalsContact C-N 3.32Å; R279-I281 PolarHBondContact O-N 2.85Å; I281-N283 PolarHBondContact O-N 3.12Å; I281-N283 VanDerWaalsContact O-N 3.1Å; I281-I284 WeakPolarHBondContact O-CG1 3.24Å; I281-I284 PolarHBondContact O-N 2.89Å
282	T	94.6	Very high	94.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-69.6	-3.6	-179.6	53.9	0	0	0	0	114.4	L278 R279 I284 R288 F291 I323 C327	L278-T282 WeakPolarHBondContact O-CG2 3.48Å; L278-T282 PolarHBondContact O-N 3.1Å; L278-T282 PolarHBondContact O-OG1 2.87Å; L278-T282 VanDerWaalsContact O-OG1 3.11Å; R279-T282 WeakPolarHBondContact CA-OG1 3.22Å; R279-T282 PolarHBondContact O-N 2.96Å; R279-T282 PolarHBondContact O-OG1 2.71Å; T282-I284 VanDerWaalsContact C-N 3.3Å; T282-R288 WeakPolarHBondContact O-CG 3.32Å; T282-R288 PolarHBondContact O-NH1 3.5Å; T282-F291 HydrophobicContact CG2-CB 3.97Å; T282-F291 HydrophobicContact CG2-CD2 4.32Å; T282-F291 HydrophobicContact CG2-CG 4.07Å; T282-I323 HydrophobicContact CG2-CG2 4.15Å; T282-C327 WeakPolarHBondContact CG2-SG 3.35Å
283	N	90.8	Very high	94.5	Very high	48 Å²	48	30 Å²	30	26%	0.257	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.3	169.1	-75.2	-6.1	0	0	0	113	R279 I281 R288 K326	R279-N283 PolarHBondContact O-N 3.15Å; R279-N283 PolarHBondContact O-OD1 2.96Å; I281-N283 PolarHBondContact O-N 3.12Å; I281-N283 VanDerWaalsContact O-N 3.1Å; N283-R288 PolarHBondContact O-NH1 3.22Å; N283-K326 PolarHBondContact OD1-NZ 2.81Å
284	I	89.8	Confident	94.5	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.041	15%	0.148	C	C	.	.	S	Bend	trans	-98.1	148	171.4	57	160.6	0	0	0	112	K236 A239 R240 V243 I281 T282 L286 G287 R288 D375	K236-I284 HydrophobicContact CB-CG2 3.75Å; K236-I284 HydrophobicContact CD-CG2 4.29Å; K236-I284 HydrophobicContact CG-CG2 3.69Å; A239-I284 HydrophobicContact CB-CD1 3.84Å; A239-I284 HydrophobicContact CB-CG1 3.94Å; R240-I284 HydrophobicContact CB-CD1 4.01Å; V243-I284 HydrophobicContact CG2-CD1 4.5Å; I281-I284 WeakPolarHBondContact O-CG1 3.24Å; I281-I284 PolarHBondContact O-N 2.89Å; T282-I284 VanDerWaalsContact C-N 3.3Å; I284-L286 VanDerWaalsContact C-N 3.29Å; I284-L286 PolarHBondContact O-N 2.92Å; I284-G287 WeakPolarHBondContact O-CA 3.5Å; I284-G287 PolarHBondContact O-N 2.88Å; I284-R288 PolarHBondContact O-N 2.83Å; I284-D375 VanDerWaalsContact CA-OD1 3.28Å; I284-D375 WeakPolarHBondContact CA-OD1 3.36Å
285	K	87.5	Confident	94.5	Very high	41 Å²	41	34.2 Å²	34.2	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-56.9	-40.3	-175.3	-171.2	174.6	-176.5	-178.6	0	113.5	G287 R288 R289 E371 D374 D375	K285-G287 VanDerWaalsContact C-N 3.29Å; K285-G287 PolarHBondContact O-N 3.15Å; K285-R288 PolarHBondContact O-N 3.28Å; K285-R289 PolarHBondContact O-N 2.83Å; K285-R289 VanDerWaalsContact O-N 3.12Å; K285-E371 WeakPolarHBondContact CE-OE2 3.37Å; K285-E371 PolarHBondContact NZ-O 3.47Å; K285-E371 IonicContact NZ-OE2 3.7Å; K285-E371 PolarHBondContact NZ-OE2 3.06Å; K285-D374 HydrophobicContact CD-CB 4.47Å; K285-D375 WeakPolarHBondContact CB-OD2 3.32Å; K285-D375 PolarHBondContact N-OD1 2.62Å
286	L	92.4	Very high	94.4	Very high	55 Å²	55	34.2 Å²	34.2	29%	0.288	17%	0.167	S	C	.	.	H	α-helix	trans	-69.5	-26.6	177.7	-62.3	116.2	0	0	0	113.1	V243 I284 A290	V243-L286 HydrophobicContact CG1-CB 4.35Å; I284-L286 VanDerWaalsContact C-N 3.29Å; I284-L286 PolarHBondContact O-N 2.92Å; L286-A290 WeakPolarHBondContact O-CB 3.49Å; L286-A290 PolarHBondContact O-N 3.21Å
287	G	94.6	Very high	94.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-71	-39.1	173.5	0	0	0	0	0	112.2	I284 K285 F291	I284-G287 WeakPolarHBondContact O-CA 3.5Å; I284-G287 PolarHBondContact O-N 2.88Å; K285-G287 VanDerWaalsContact C-N 3.29Å; K285-G287 PolarHBondContact O-N 3.15Å; G287-F291 VanDerWaalsContact O-CB 3.26Å; G287-F291 WeakPolarHBondContact O-CB 3.47Å; G287-F291 PolarHBondContact O-N 2.87Å
288	R	93.8	Very high	94.3	Very high	30 Å²	30	38.5 Å²	38.5	11%	0.113	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-47	170.8	-60.5	-169.9	-87	-75	11.3	111	T282 N283 I284 K285 F291 L292 K326 D374	T282-R288 WeakPolarHBondContact O-CG 3.32Å; T282-R288 PolarHBondContact O-NH1 3.5Å; N283-R288 PolarHBondContact O-NH1 3.22Å; I284-R288 PolarHBondContact O-N 2.83Å; K285-R288 PolarHBondContact O-N 3.28Å; R288-F291 PolarHBondContact O-N 3.45Å; R288-L292 WeakPolarHBondContact O-CG 3.46Å; R288-L292 PolarHBondContact O-N 2.95Å; R288-K326 WeakPolarHBondContact CD-O 3.15Å; R288-D374 IonicContact CZ-OD2 3.65Å; R288-D374 IonicContact NE-OD2 2.7Å; R288-D374 PolarHBondContact NE-OD2 3.29Å; R288-D374 VanDerWaalsContact NH2-CG 3.26Å; R288-D374 PolarHBondContact NH2-O 2.97Å; R288-D374 IonicContact NH2-OD2 3.3Å; R288-D374 PolarHBondContact NH2-OD2 3.22Å
289	R	93.3	Very high	94.2	Very high	131 Å²	131	40 Å²	40	49%	0.494	19%	0.188	S	C	.	.	H	α-helix	trans	-59.9	-52	176.5	-173.6	-179.3	-62.9	163.5	0.3	112.7	K285 F291 L292 E293	K285-R289 PolarHBondContact O-N 2.83Å; K285-R289 VanDerWaalsContact O-N 3.12Å; R289-F291 PolarHBondContact O-N 3.24Å; R289-L292 WeakPolarHBondContact O-CB 3.49Å; R289-L292 PolarHBondContact O-N 2.84Å; R289-L292 VanDerWaalsContact O-N 3.11Å; R289-E293 WeakPolarHBondContact CD-OE1 3.46Å; R289-E293 HydrophobicContact CG-CG 4.31Å; R289-E293 VanDerWaalsContact CG-OE1 3.22Å; R289-E293 WeakPolarHBondContact CG-OE1 3.4Å; R289-E293 WeakPolarHBondContact O-CG 3.49Å; R289-E293 PolarHBondContact O-N 3.02Å
290	A	96.3	Very high	94.2	Very high	15 Å²	15	38.5 Å²	38.5	12%	0.124	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-23.5	179.9	0	0	0	0	0	113.4	V243 V248 L286 A294	V243-A290 HydrophobicContact CG1-CB 3.85Å; V248-A290 HydrophobicContact CB-CB 4.35Å; V248-A290 HydrophobicContact CG2-CB 4.22Å; L286-A290 WeakPolarHBondContact O-CB 3.49Å; L286-A290 PolarHBondContact O-N 3.21Å; A290-A294 VanDerWaalsContact O-CB 3.29Å; A290-A294 WeakPolarHBondContact O-CB 3.26Å; A290-A294 PolarHBondContact O-N 2.97Å
291	F	97.1	Very high	94.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-75.5	-40.6	171.9	174.9	-93.1	0	0	0	112.1	V248 L252 L278 T282 G287 R288 R289 A294 G296 I297 L300 I323 C327	V248-F291 HydrophobicContact CG1-CB 4.12Å; L252-F291 HydrophobicContact CD1-CD2 4.28Å; L252-F291 HydrophobicContact CD2-CD2 4.39Å; L252-F291 HydrophobicContact CD2-CE2 3.94Å; L278-F291 HydrophobicContact CD2-CD2 4.35Å; T282-F291 HydrophobicContact CG2-CB 3.97Å; T282-F291 HydrophobicContact CG2-CD2 4.32Å; T282-F291 HydrophobicContact CG2-CG 4.07Å; G287-F291 VanDerWaalsContact O-CB 3.26Å; G287-F291 WeakPolarHBondContact O-CB 3.47Å; G287-F291 PolarHBondContact O-N 2.87Å; R288-F291 PolarHBondContact O-N 3.45Å; R289-F291 PolarHBondContact O-N 3.24Å; F291-A294 PolarHBondContact O-N 3.28Å; F291-G296 VanDerWaalsContact CE1-C 3.5Å; F291-G296 VanDerWaalsContact CZ-O 3.3Å; F291-G296 WeakPolarHBondContact CZ-O 3.47Å; F291-G296 WeakPolarHBondContact O-CA 3.48Å; F291-G296 PolarHBondContact O-N 3.28Å; F291-I297 HydrophobicContact CD1-CG1 4.47Å; F291-I297 HydrophobicContact CE1-CG1 3.74Å; F291-L300 HydrophobicContact CE2-CD1 3.81Å; F291-L300 HydrophobicContact CE2-CG 4.14Å; F291-L300 HydrophobicContact CZ-CD1 3.62Å; F291-L300 HydrophobicContact CZ-CG 3.94Å; F291-I323 HydrophobicContact CD2-CG2 4.29Å; F291-I323 HydrophobicContact CE1-CG2 3.97Å; F291-I323 HydrophobicContact CE2-CG2 3.67Å; F291-I323 HydrophobicContact CZ-CG2 3.5Å; F291-I323 VanDerWaalsContact CZ-CG2 3.5Å; F291-C327 HydrophobicContact CD1-CB 3.63Å; F291-C327 WeakPolarHBondContact CD1-SG 3.4Å; F291-C327 HydrophobicContact CE1-CB 3.86Å
292	L	93.8	Very high	94.2	Very high	74 Å²	74	43.4 Å²	43.4	39%	0.387	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-47.3	173.1	-73.1	167.5	0	0	0	112.1	R288 R289 A294 D295 I297	R288-L292 WeakPolarHBondContact O-CG 3.46Å; R288-L292 PolarHBondContact O-N 2.95Å; R289-L292 WeakPolarHBondContact O-CB 3.49Å; R289-L292 PolarHBondContact O-N 2.84Å; R289-L292 VanDerWaalsContact O-N 3.11Å; L292-A294 PolarHBondContact O-N 2.72Å; L292-A294 VanDerWaalsContact O-N 3.13Å; L292-D295 PolarHBondContact O-N 3.15Å; L292-I297 HydrophobicContact CD2-CD1 3.5Å; L292-I297 VanDerWaalsContact CD2-CD1 3.5Å; L292-I297 HydrophobicContact CD2-CG1 4.03Å
293	E	95.2	Very high	94.1	Very high	148 Å²	148	43.4 Å²	43.4	69%	0.692	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.4	176.7	-71.2	169.3	177.7	0	0	112.9	R289	R289-E293 WeakPolarHBondContact CD-OE1 3.46Å; R289-E293 HydrophobicContact CG-CG 4.31Å; R289-E293 VanDerWaalsContact CG-OE1 3.22Å; R289-E293 WeakPolarHBondContact CG-OE1 3.4Å; R289-E293 WeakPolarHBondContact O-CG 3.49Å; R289-E293 PolarHBondContact O-N 3.02Å
294	A	96.3	Very high	94.2	Very high	20 Å²	20	41.2 Å²	41.2	17%	0.165	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	15.3	177.4	0	0	0	0	0	114.2	P249 L252 A290 F291 L292 G296	P249-A294 HydrophobicContact CB-CB 4.47Å; P249-A294 HydrophobicContact CG-CB 3.94Å; L252-A294 HydrophobicContact CD1-CB 3.58Å; A290-A294 VanDerWaalsContact O-CB 3.29Å; A290-A294 WeakPolarHBondContact O-CB 3.26Å; A290-A294 PolarHBondContact O-N 2.97Å; F291-A294 PolarHBondContact O-N 3.28Å; L292-A294 PolarHBondContact O-N 2.72Å; L292-A294 VanDerWaalsContact O-N 3.13Å; A294-G296 PolarHBondContact O-N 2.98Å
295	D	94.8	Very high	94.3	Very high	78 Å²	78	43.1 Å²	43.1	42%	0.417	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	28	-175.5	-160.1	25.2	0	0	0	113.5	L292 I297 R298 I299	L292-D295 PolarHBondContact O-N 3.15Å; D295-I297 VanDerWaalsContact C-N 3.33Å; D295-I297 PolarHBondContact O-N 3.18Å; D295-R298 PolarHBondContact O-N 3.39Å; D295-R298 VanDerWaalsContact O-N 3.13Å; D295-R298 WeakPolarHBondContact OD1-CB 3.32Å; D295-R298 IonicContact OD1-NE 3.17Å; D295-R298 WeakPolarHBondContact OD2-CD 3.38Å; D295-R298 IonicContact OD2-NE 2.73Å; D295-I299 WeakPolarHBondContact O-CG1 3.39Å; D295-I299 PolarHBondContact O-N 2.89Å
296	G	96.2	Very high	94.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-36.3	-170.5	0	0	0	0	0	114.1	F291 A294 I299 L300	F291-G296 VanDerWaalsContact CE1-C 3.5Å; F291-G296 VanDerWaalsContact CZ-O 3.3Å; F291-G296 WeakPolarHBondContact CZ-O 3.47Å; F291-G296 WeakPolarHBondContact O-CA 3.48Å; F291-G296 PolarHBondContact O-N 3.28Å; A294-G296 PolarHBondContact O-N 2.98Å; G296-I299 PolarHBondContact O-N 3.24Å; G296-L300 WeakPolarHBondContact O-CB 3.42Å; G296-L300 WeakPolarHBondContact O-CG 3.3Å; G296-L300 PolarHBondContact O-N 3.18Å
297	I	94.6	Very high	94.3	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.046	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-49.2	175.5	-68.8	-175.4	0	0	0	110.3	F291 L292 D295 I299 L300 Y301 M324 C327 I694 L697 I698	F291-I297 HydrophobicContact CD1-CG1 4.47Å; F291-I297 HydrophobicContact CE1-CG1 3.74Å; L292-I297 HydrophobicContact CD2-CD1 3.5Å; L292-I297 VanDerWaalsContact CD2-CD1 3.5Å; L292-I297 HydrophobicContact CD2-CG1 4.03Å; D295-I297 VanDerWaalsContact C-N 3.33Å; D295-I297 PolarHBondContact O-N 3.18Å; I297-I299 VanDerWaalsContact C-N 3.34Å; I297-I299 PolarHBondContact O-N 2.78Å; I297-L300 PolarHBondContact O-N 3.15Å; I297-Y301 VanDerWaalsContact O-CB 3.25Å; I297-Y301 WeakPolarHBondContact O-CB 3.38Å; I297-Y301 PolarHBondContact O-N 3.03Å; I297-M324 HydrophobicContact CG2-CG 4.49Å; I297-M324 HydrophobicContact CG2-SD 4.41Å; I297-C327 HydrophobicContact CD1-CB 4.49Å; I297-I694 HydrophobicContact CG2-CG2 3.72Å; I297-L697 HydrophobicContact CD1-CD2 3.81Å; I297-I698 HydrophobicContact CG2-CD1 4.21Å; I297-I698 HydrophobicContact CG2-CG1 4.27Å
298	R	95	Very high	93.9	Very high	110 Å²	110	49 Å²	49	42%	0.415	23%	0.234	S	C	.	.	H	α-helix	trans	-63.9	-41	-179.2	-168.2	177.4	-65.5	-174.8	-11.3	111.6	D295 Y301 H302 I698	D295-R298 PolarHBondContact O-N 3.39Å; D295-R298 VanDerWaalsContact O-N 3.13Å; D295-R298 WeakPolarHBondContact OD1-CB 3.32Å; D295-R298 IonicContact OD1-NE 3.17Å; D295-R298 WeakPolarHBondContact OD2-CD 3.38Å; D295-R298 IonicContact OD2-NE 2.73Å; R298-Y301 PolarHBondContact O-N 3.1Å; R298-H302 VanDerWaalsContact CG-CE1 3.49Å; R298-H302 WeakPolarHBondContact CG-CE1 3.15Å; R298-H302 PolarHBondContact O-N 3.2Å; R298-H302 VanDerWaalsContact O-N 3.11Å; R298-H302 PolarHBondContact O-ND1 2.79Å; R298-I698 HydrophobicContact CG-CG2 4.21Å
299	I	96	Very high	93.5	Very high	32 Å²	32	53 Å²	53	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-47.7	176.8	-69.5	171.6	0	0	0	111.4	L252 L256 D295 G296 I297 S303	L252-I299 HydrophobicContact CB-CD1 4.2Å; L252-I299 HydrophobicContact CD1-CD1 4.45Å; L252-I299 HydrophobicContact CD2-CB 4.31Å; L252-I299 HydrophobicContact CD2-CD1 4.46Å; L252-I299 HydrophobicContact CD2-CG2 3.89Å; L256-I299 HydrophobicContact CD1-CD1 4.2Å; L256-I299 HydrophobicContact CD1-CG1 4.18Å; L256-I299 HydrophobicContact CD1-CG2 3.85Å; L256-I299 HydrophobicContact CD2-CG2 3.98Å; L256-I299 HydrophobicContact CG-CG2 3.77Å; D295-I299 WeakPolarHBondContact O-CG1 3.39Å; D295-I299 PolarHBondContact O-N 2.89Å; G296-I299 PolarHBondContact O-N 3.24Å; I297-I299 VanDerWaalsContact C-N 3.34Å; I297-I299 PolarHBondContact O-N 2.78Å; I299-S303 WeakPolarHBondContact O-CB 3.2Å; I299-S303 PolarHBondContact O-N 3.12Å; I299-S303 PolarHBondContact O-OG 2.59Å
300	L	96.1	Very high	93.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72	-32.7	179	-67.7	-162.5	0	0	0	112.6	L252 Y255 L275 F291 G296 I297 S303 S304 I323 M324	L252-L300 HydrophobicContact CD2-CD2 4.41Å; Y255-L300 HydrophobicContact CD1-CD2 4.12Å; Y255-L300 HydrophobicContact CE1-CD2 3.88Å; L275-L300 HydrophobicContact CD2-CD1 4.16Å; L275-L300 HydrophobicContact CD2-CD2 3.6Å; F291-L300 HydrophobicContact CE2-CD1 3.81Å; F291-L300 HydrophobicContact CE2-CG 4.14Å; F291-L300 HydrophobicContact CZ-CD1 3.62Å; F291-L300 HydrophobicContact CZ-CG 3.94Å; G296-L300 WeakPolarHBondContact O-CB 3.42Å; G296-L300 WeakPolarHBondContact O-CG 3.3Å; G296-L300 PolarHBondContact O-N 3.18Å; I297-L300 PolarHBondContact O-N 3.15Å; L300-S303 WeakPolarHBondContact CA-OG 3.43Å; L300-S303 PolarHBondContact O-OG 3.02Å; L300-S303 VanDerWaalsContact O-OG 3.11Å; L300-S304 WeakPolarHBondContact O-CB 3.4Å; L300-S304 PolarHBondContact O-N 2.94Å; L300-S304 VanDerWaalsContact O-N 3.11Å; L300-S304 PolarHBondContact O-OG 2.74Å; L300-I323 HydrophobicContact CD1-CB 3.88Å; L300-I323 HydrophobicContact CD1-CD1 3.97Å; L300-I323 HydrophobicContact CD1-CG2 3.73Å; L300-M324 HydrophobicContact CB-CE 4.4Å; L300-M324 HydrophobicContact CB-CG 3.84Å; L300-M324 HydrophobicContact CB-SD 3.73Å; L300-M324 HydrophobicContact CD1-CG 4.45Å
301	Y	95.2	Very high	92.7	Very high	24 Å²	24	56.6 Å²	56.6	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-61.3	175.3	177.1	-96.8	0	0	0	111.2	I297 R298 S303 S304 T305 M324 F691 I694 E695 I698	I297-Y301 VanDerWaalsContact O-CB 3.25Å; I297-Y301 WeakPolarHBondContact O-CB 3.38Å; I297-Y301 PolarHBondContact O-N 3.03Å; R298-Y301 PolarHBondContact O-N 3.1Å; Y301-S303 VanDerWaalsContact C-N 3.33Å; Y301-S303 PolarHBondContact O-N 3.27Å; Y301-S304 PolarHBondContact O-N 3.1Å; Y301-T305 HydrophobicContact CD1-CG2 4.44Å; Y301-T305 HydrophobicContact CD2-CG2 4.48Å; Y301-T305 HydrophobicContact CE1-CG2 4.14Å; Y301-T305 HydrophobicContact CE2-CG2 4.17Å; Y301-T305 PolarHBondContact O-N 3.38Å; Y301-T305 PolarHBondContact O-OG1 2.85Å; Y301-M324 PolarHBondContact N-SD 3.5Å; Y301-F691 AromaticContact CD2-CD1 3.69Å; Y301-F691 HydrophobicContact CD2-CD1 3.69Å; Y301-F691 HydrophobicContact CD2-CE1 4.09Å; Y301-F691 HydrophobicContact CE2-CB 4.32Å; Y301-F691 AromaticContact CE2-CD1 3.7Å; Y301-F691 HydrophobicContact CE2-CD1 3.7Å; Y301-F691 HydrophobicContact CE2-CG 4.41Å; Y301-I694 HydrophobicContact CD2-CB 4.44Å; Y301-I694 HydrophobicContact CD2-CG2 3.79Å; Y301-I694 HydrophobicContact CG-CG2 4.45Å; Y301-E695 HydrophobicContact CE2-CB 4.23Å; Y301-E695 PolarHBondContact OH-OE1 3.3Å; Y301-E695 VanDerWaalsContact OH-OE1 3.11Å; Y301-I698 HydrophobicContact CD1-CD1 3.63Å; Y301-I698 HydrophobicContact CD2-CD1 3.87Å; Y301-I698 HydrophobicContact CE1-CD1 4.28Å; Y301-I698 HydrophobicContact CE2-CD1 4.49Å; Y301-I698 HydrophobicContact CG-CD1 3.39Å
302	H	94.1	Very high	92.2	Very high	88 Å²	88	61.4 Å²	61.4	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-46.3	-177.4	-73.5	76.5	0	0	0	111.8	R298 S304 T305 E306	R298-H302 VanDerWaalsContact CG-CE1 3.49Å; R298-H302 WeakPolarHBondContact CG-CE1 3.15Å; R298-H302 PolarHBondContact O-N 3.2Å; R298-H302 VanDerWaalsContact O-N 3.11Å; R298-H302 PolarHBondContact O-ND1 2.79Å; H302-S304 PolarHBondContact O-N 2.99Å; H302-T305 WeakPolarHBondContact CA-OG1 3.24Å; H302-T305 PolarHBondContact O-N 3.45Å; H302-T305 PolarHBondContact O-OG1 3.09Å; H302-E306 PolarHBondContact O-N 2.93Å
303	S	93.6	Very high	92	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-21.7	179.8	62.1	0	0	0	0	114.5	Y255 H259 I299 L300 Y301 C307	Y255-S303 VanDerWaalsContact CE1-OG 3.3Å; Y255-S303 WeakPolarHBondContact CE1-OG 3.32Å; Y255-S303 PolarHBondContact OH-OG 2.73Å; H259-S303 WeakPolarHBondContact CD2-CB 3.46Å; H259-S303 WeakPolarHBondContact NE2-CA 3.37Å; H259-S303 VanDerWaalsContact NE2-CB 3.29Å; H259-S303 WeakPolarHBondContact NE2-CB 3.34Å; H259-S303 PolarHBondContact NE2-O 3.19Å; I299-S303 WeakPolarHBondContact O-CB 3.2Å; I299-S303 PolarHBondContact O-N 3.12Å; I299-S303 PolarHBondContact O-OG 2.59Å; L300-S303 WeakPolarHBondContact CA-OG 3.43Å; L300-S303 PolarHBondContact O-OG 3.02Å; L300-S303 VanDerWaalsContact O-OG 3.11Å; Y301-S303 VanDerWaalsContact C-N 3.33Å; Y301-S303 PolarHBondContact O-N 3.27Å; S303-C307 PolarHBondContact O-SG 3.01Å
304	S	93.7	Very high	91.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-90.1	-35.8	177.3	-59.4	0	0	0	0	111.3	L300 Y301 H302 E306 C307 L308 S320 F691	L300-S304 WeakPolarHBondContact O-CB 3.4Å; L300-S304 PolarHBondContact O-N 2.94Å; L300-S304 VanDerWaalsContact O-N 3.11Å; L300-S304 PolarHBondContact O-OG 2.74Å; Y301-S304 PolarHBondContact O-N 3.1Å; H302-S304 PolarHBondContact O-N 2.99Å; S304-E306 VanDerWaalsContact C-N 3.33Å; S304-C307 CarbonylContact O-C 3.55Å; S304-C307 WeakPolarHBondContact O-CA 3.31Å; S304-C307 WeakPolarHBondContact O-CB 3.36Å; S304-C307 PolarHBondContact O-N 2.85Å; S304-L308 PolarHBondContact O-N 3Å; S304-L308 VanDerWaalsContact O-N 3.08Å; S304-S320 WeakPolarHBondContact OG-CB 3.48Å; S304-S320 PolarHBondContact OG-OG 2.97Å; S304-F691 VanDerWaalsContact CB-CZ 3.48Å
305	T	91.4	Very high	91.3	Very high	48 Å²	48	53.5 Å²	53.5	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-38.1	172.1	54.4	0	0	0	0	111.7	Y301 H302 C307 L308 F691	Y301-T305 HydrophobicContact CD1-CG2 4.44Å; Y301-T305 HydrophobicContact CD2-CG2 4.48Å; Y301-T305 HydrophobicContact CE1-CG2 4.14Å; Y301-T305 HydrophobicContact CE2-CG2 4.17Å; Y301-T305 PolarHBondContact O-N 3.38Å; Y301-T305 PolarHBondContact O-OG1 2.85Å; H302-T305 WeakPolarHBondContact CA-OG1 3.24Å; H302-T305 PolarHBondContact O-N 3.45Å; H302-T305 PolarHBondContact O-OG1 3.09Å; T305-C307 PolarHBondContact O-N 2.87Å; T305-L308 HydrophobicContact CG2-CD1 4.21Å; T305-L308 PolarHBondContact O-N 3.12Å; T305-F691 HydrophobicContact CG2-CD1 3.8Å; T305-F691 HydrophobicContact CG2-CE1 3.98Å
306	E	90.8	Very high	91.2	Very high	136 Å²	136	49.8 Å²	49.8	64%	0.636	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.5	168.7	-76.1	-175.8	-142.6	0	0	113.6	H259 H302 S304	H259-E306 IonicContact CE1-OE2 2.64Å; H259-E306 PolarHBondContact CE1-OE2 2.81Å; H259-E306 VanDerWaalsContact CE1-OE2 3.3Å; H259-E306 IonicContact NE2-OE2 3.06Å; H259-E306 PolarHBondContact NE2-OE2 3.42Å; H302-E306 PolarHBondContact O-N 2.93Å; S304-E306 VanDerWaalsContact C-N 3.33Å
307	C	89.4	Confident	90.9	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.02	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-18	-179.2	-63.5	0	0	0	0	114.2	R271 S303 S304 T305 P309 V310 L313 I317	R271-C307 PolarHBondContact NH2-SG 3.38Å; S303-C307 PolarHBondContact O-SG 3.01Å; S304-C307 CarbonylContact O-C 3.55Å; S304-C307 WeakPolarHBondContact O-CA 3.31Å; S304-C307 WeakPolarHBondContact O-CB 3.36Å; S304-C307 PolarHBondContact O-N 2.85Å; T305-C307 PolarHBondContact O-N 2.87Å; C307-P309 VanDerWaalsContact C-N 3.33Å; C307-P309 VanDerWaalsContact O-N 3.15Å; C307-V310 PolarHBondContact O-N 3Å; C307-L313 HydrophobicContact CB-CB 4.06Å; C307-L313 HydrophobicContact CB-CD1 3.77Å; C307-I317 HydrophobicContact CB-CD1 3.78Å; C307-I317 HydrophobicContact CB-CG1 3.83Å
308	L	85.1	Confident	90.7	Very high	81 Å²	81	52.9 Å²	52.9	42%	0.424	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-37	-174.2	-76.6	171.6	0	0	0	115.4	S304 T305 V310 I317	S304-L308 PolarHBondContact O-N 3Å; S304-L308 VanDerWaalsContact O-N 3.08Å; T305-L308 HydrophobicContact CG2-CD1 4.21Å; T305-L308 PolarHBondContact O-N 3.12Å; L308-V310 PolarHBondContact O-N 3.34Å; L308-I317 HydrophobicContact CD2-CD1 4.24Å; L308-I317 HydrophobicContact CD2-CG2 4.25Å
309	P	85.4	Confident	90.5	Very high	113 Å²	113	47.9 Å²	47.9	73%	0.734	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.6	178.4	-21.9	35	0	0	0	115.1	C307	C307-P309 VanDerWaalsContact C-N 3.33Å; C307-P309 VanDerWaalsContact O-N 3.15Å
310	V	87.6	Confident	90.4	Very high	49 Å²	49	46.4 Å²	46.4	30%	0.297	24%	0.243	S	C	.	.			trans	-121.4	90.6	-165.8	-171.3	0	0	0	0	110.8	C307 L308 T312 L313	C307-V310 PolarHBondContact O-N 3Å; L308-V310 PolarHBondContact O-N 3.34Å; V310-T312 WeakPolarHBondContact CG1-OG1 3.23Å; V310-T312 PolarHBondContact O-N 2.76Å; V310-L313 HydrophobicContact CB-CD1 4.05Å; V310-L313 HydrophobicContact CB-CG 4.13Å; V310-L313 HydrophobicContact CG1-CD1 4.19Å; V310-L313 HydrophobicContact CG1-CG 3.95Å; V310-L313 WeakPolarHBondContact O-CB 3.45Å; V310-L313 PolarHBondContact O-N 3.13Å
311	R	84.6	Confident	90.1	Very high	173 Å²	173	46.6 Å²	46.6	65%	0.653	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-52	-29.7	-178	-68.6	-173.8	-179.3	-175.7	-1.3	115.2	L313 D314	R311-L313 PolarHBondContact O-N 3.32Å; R311-D314 VanDerWaalsContact CA-OD2 3.27Å; R311-D314 WeakPolarHBondContact CA-OD2 3.39Å; R311-D314 WeakPolarHBondContact CB-OD2 3.06Å; R311-D314 WeakPolarHBondContact O-CB 3.38Å; R311-D314 PolarHBondContact O-N 3.28Å
312	T	87.7	Confident	89.8	Confident	102 Å²	102	46.2 Å²	46.2	63%	0.626	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-65.8	-9.4	175.1	55.4	0	0	0	0	113.7	M268 V310	M268-T312 WeakPolarHBondContact CE-O 3.3Å; V310-T312 WeakPolarHBondContact CG1-OG1 3.23Å; V310-T312 PolarHBondContact O-N 2.76Å
313	L	89.4	Confident	89.7	Confident	2 Å²	2	42 Å²	42	1%	0.01	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-99.8	-2.3	173.9	-55.9	-176.1	0	0	0	113.8	H265 M268 C307 V310 R311 P315 L316 I317	H265-L313 HydrophobicContact CB-CD2 4.02Å; M268-L313 HydrophobicContact CG-CD2 4.11Å; C307-L313 HydrophobicContact CB-CB 4.06Å; C307-L313 HydrophobicContact CB-CD1 3.77Å; V310-L313 HydrophobicContact CB-CD1 4.05Å; V310-L313 HydrophobicContact CB-CG 4.13Å; V310-L313 HydrophobicContact CG1-CD1 4.19Å; V310-L313 HydrophobicContact CG1-CG 3.95Å; V310-L313 WeakPolarHBondContact O-CB 3.45Å; V310-L313 PolarHBondContact O-N 3.13Å; R311-L313 PolarHBondContact O-N 3.32Å; L313-P315 VanDerWaalsContact C-N 3.29Å; L313-P315 VanDerWaalsContact O-N 3.13Å; L313-L316 HydrophobicContact CD2-CD1 4.17Å; L313-L316 WeakPolarHBondContact O-CA 3.15Å; L313-L316 WeakPolarHBondContact O-CB 3.3Å; L313-L316 PolarHBondContact O-N 2.68Å; L313-I317 PolarHBondContact O-N 3.28Å
314	D	88.1	Confident	89.7	Confident	19 Å²	19	42 Å²	42	10%	0.102	22%	0.224	C	C	.	.	H	α-helix	trans	-48	-41.3	-179.4	-69.6	-35.4	0	0	0	113.6	R311 L316 I317 N318 Y683 R687	R311-D314 VanDerWaalsContact CA-OD2 3.27Å; R311-D314 WeakPolarHBondContact CA-OD2 3.39Å; R311-D314 WeakPolarHBondContact CB-OD2 3.06Å; R311-D314 WeakPolarHBondContact O-CB 3.38Å; R311-D314 PolarHBondContact O-N 3.28Å; D314-L316 PolarHBondContact O-N 3.38Å; D314-I317 PolarHBondContact O-N 2.84Å; D314-N318 WeakPolarHBondContact O-CB 3.49Å; D314-N318 VanDerWaalsContact O-CG 3.3Å; D314-N318 PolarHBondContact O-N 2.85Å; D314-N318 PolarHBondContact O-OD1 3.43Å; D314-Y683 PolarHBondContact OD2-OH 3.36Å; D314-R687 IonicContact OD1-CZ 3.77Å; D314-R687 IonicContact OD1-NH1 3.25Å; D314-R687 PolarHBondContact OD1-NH1 2.76Å; D314-R687 IonicContact OD1-NH2 2.72Å
315	P	89.3	Confident	89.4	Confident	54 Å²	54	43.5 Å²	43.5	35%	0.351	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-25.3	176	-25.3	35.8	0	0	0	115	M268 L313 T319	M268-P315 HydrophobicContact CE-CB 3.98Å; M268-P315 HydrophobicContact CE-CG 3.89Å; L313-P315 VanDerWaalsContact C-N 3.29Å; L313-P315 VanDerWaalsContact O-N 3.13Å; P315-T319 WeakPolarHBondContact O-CB 3.3Å; P315-T319 PolarHBondContact O-N 2.88Å; P315-T319 PolarHBondContact O-OG1 3.36Å
316	L	91.5	Very high	89.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-75.2	-46.3	171.8	-57.2	-176.8	0	0	0	110.5	M268 R271 K272 L275 L313 D314 N318 T319 S320	M268-L316 HydrophobicContact CE-CG 4.16Å; M268-L316 HydrophobicContact CG-CD1 3.92Å; M268-L316 HydrophobicContact CG-CD2 4.25Å; M268-L316 HydrophobicContact CG-CG 4.1Å; R271-L316 HydrophobicContact CB-CD1 3.92Å; R271-L316 HydrophobicContact CB-CD2 3.91Å; K272-L316 HydrophobicContact CB-CD2 3.71Å; K272-L316 HydrophobicContact CG-CD2 4.5Å; L275-L316 HydrophobicContact CD1-CB 4.08Å; L275-L316 HydrophobicContact CD1-CD2 4.05Å; L275-L316 WeakPolarHBondContact CD1-O 3.2Å; L313-L316 HydrophobicContact CD2-CD1 4.17Å; L313-L316 WeakPolarHBondContact O-CA 3.15Å; L313-L316 WeakPolarHBondContact O-CB 3.3Å; L313-L316 PolarHBondContact O-N 2.68Å; D314-L316 PolarHBondContact O-N 3.38Å; L316-N318 PolarHBondContact O-N 3.06Å; L316-T319 PolarHBondContact O-N 3.21Å; L316-S320 WeakPolarHBondContact O-CB 3.31Å; L316-S320 PolarHBondContact O-N 2.78Å; L316-S320 PolarHBondContact O-OG 3.34Å; L316-S320 VanDerWaalsContact O-OG 3.14Å
317	I	90.6	Very high	89.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-43.5	-178	-53.8	174.6	0	0	0	110.2	C307 L308 L313 D314 S320 S321 R687 F691	C307-I317 HydrophobicContact CB-CD1 3.78Å; C307-I317 HydrophobicContact CB-CG1 3.83Å; L308-I317 HydrophobicContact CD2-CD1 4.24Å; L308-I317 HydrophobicContact CD2-CG2 4.25Å; L313-I317 PolarHBondContact O-N 3.28Å; D314-I317 PolarHBondContact O-N 2.84Å; I317-S320 PolarHBondContact O-N 2.87Å; I317-S321 VanDerWaalsContact O-CB 3.27Å; I317-S321 WeakPolarHBondContact O-CB 3.42Å; I317-S321 PolarHBondContact O-N 3.38Å; I317-R687 HydrophobicContact CG2-CG 4.47Å; I317-F691 HydrophobicContact CG2-CE2 4.27Å; I317-F691 HydrophobicContact CG2-CZ 4.08Å
318	N	89.1	Confident	89.1	Confident	73 Å²	73	37.3 Å²	37.3	39%	0.39	20%	0.197	S	C	.	.	H	α-helix	trans	-64.4	-44.1	177.4	-65.7	6.5	0	0	0	111.2	D314 L316 S320 S321 L322 R687	D314-N318 WeakPolarHBondContact O-CB 3.49Å; D314-N318 VanDerWaalsContact O-CG 3.3Å; D314-N318 PolarHBondContact O-N 2.85Å; D314-N318 PolarHBondContact O-OD1 3.43Å; L316-N318 PolarHBondContact O-N 3.06Å; N318-S320 PolarHBondContact O-N 3.33Å; N318-S321 PolarHBondContact O-N 2.76Å; N318-L322 WeakPolarHBondContact O-CB 3.4Å; N318-L322 PolarHBondContact O-N 3.17Å; N318-R687 PolarHBondContact OD1-NE 3.4Å
319	T	91.1	Very high	89	Confident	6 Å²	6	36 Å²	36	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-41	175.9	-49.1	0	0	0	0	111.4	L275 P315 L316 I323	L275-T319 HydrophobicContact CB-CG2 3.68Å; P315-T319 WeakPolarHBondContact O-CB 3.3Å; P315-T319 PolarHBondContact O-N 2.88Å; P315-T319 PolarHBondContact O-OG1 3.36Å; L316-T319 PolarHBondContact O-N 3.21Å; T319-I323 HydrophobicContact CG2-CD1 4.18Å; T319-I323 WeakPolarHBondContact O-CD1 3.35Å; T319-I323 VanDerWaalsContact O-CG1 3.24Å; T319-I323 WeakPolarHBondContact O-CG1 3.11Å; T319-I323 PolarHBondContact O-N 3.42Å; T319-I323 VanDerWaalsContact O-N 3.13Å
320	S	93.8	Very high	88.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-45.5	175	-68.3	0	0	0	0	112.5	S304 L316 I317 N318 L322 I323 M324	S304-S320 WeakPolarHBondContact OG-CB 3.48Å; S304-S320 PolarHBondContact OG-OG 2.97Å; L316-S320 WeakPolarHBondContact O-CB 3.31Å; L316-S320 PolarHBondContact O-N 2.78Å; L316-S320 PolarHBondContact O-OG 3.34Å; L316-S320 VanDerWaalsContact O-OG 3.14Å; I317-S320 PolarHBondContact O-N 2.87Å; N318-S320 PolarHBondContact O-N 3.33Å; S320-L322 VanDerWaalsContact C-N 3.35Å; S320-L322 PolarHBondContact O-N 2.7Å; S320-I323 PolarHBondContact O-N 3.27Å; S320-M324 WeakPolarHBondContact O-CG 3.29Å; S320-M324 PolarHBondContact O-N 2.9Å
321	S	90.5	Very high	88.6	Confident	5 Å²	5	35.3 Å²	35.3	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-56.6	-48.3	176.9	-174.3	0	0	0	0	111.1	I317 N318 I323 M324 R325	I317-S321 VanDerWaalsContact O-CB 3.27Å; I317-S321 WeakPolarHBondContact O-CB 3.42Å; I317-S321 PolarHBondContact O-N 3.38Å; N318-S321 PolarHBondContact O-N 2.76Å; S321-I323 PolarHBondContact O-N 2.81Å; S321-M324 PolarHBondContact O-N 2.9Å; S321-R325 WeakPolarHBondContact O-CG 3.09Å; S321-R325 PolarHBondContact O-N 2.95Å
322	L	89	Confident	88.6	Confident	15 Å²	15	33.2 Å²	33.2	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-43.8	177.6	-171.4	65.6	0	0	0	112.1	N318 S320 K326 A1202	N318-L322 WeakPolarHBondContact O-CB 3.4Å; N318-L322 PolarHBondContact O-N 3.17Å; S320-L322 VanDerWaalsContact C-N 3.35Å; S320-L322 PolarHBondContact O-N 2.7Å; L322-K326 WeakPolarHBondContact O-CB 3.11Å; L322-K326 PolarHBondContact O-N 2.92Å; L322-A1202 WeakPolarHBondContact CD1-O 3.16Å
323	I	92.6	Very high	88.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-45.5	175.7	-64.7	160.9	0	0	0	110.9	L275 L278 R279 T282 F291 L300 T319 S320 S321 K326 C327	L275-I323 HydrophobicContact CB-CD1 4.31Å; L275-I323 HydrophobicContact CD2-CD1 4.19Å; L275-I323 WeakPolarHBondContact O-CD1 3.23Å; L278-I323 HydrophobicContact CB-CD1 4.05Å; R279-I323 HydrophobicContact CB-CD1 4.18Å; R279-I323 HydrophobicContact CB-CG1 3.98Å; R279-I323 HydrophobicContact CG-CG1 4.48Å; T282-I323 HydrophobicContact CG2-CG2 4.15Å; F291-I323 HydrophobicContact CD2-CG2 4.29Å; F291-I323 HydrophobicContact CE1-CG2 3.97Å; F291-I323 HydrophobicContact CE2-CG2 3.67Å; F291-I323 HydrophobicContact CZ-CG2 3.5Å; F291-I323 VanDerWaalsContact CZ-CG2 3.5Å; L300-I323 HydrophobicContact CD1-CB 3.88Å; L300-I323 HydrophobicContact CD1-CD1 3.97Å; L300-I323 HydrophobicContact CD1-CG2 3.73Å; T319-I323 HydrophobicContact CG2-CD1 4.18Å; T319-I323 WeakPolarHBondContact O-CD1 3.35Å; T319-I323 VanDerWaalsContact O-CG1 3.24Å; T319-I323 WeakPolarHBondContact O-CG1 3.11Å; T319-I323 PolarHBondContact O-N 3.42Å; T319-I323 VanDerWaalsContact O-N 3.13Å; S320-I323 PolarHBondContact O-N 3.27Å; S321-I323 PolarHBondContact O-N 2.81Å; I323-K326 PolarHBondContact O-N 3.39Å; I323-C327 WeakPolarHBondContact O-CB 3.46Å; I323-C327 PolarHBondContact O-N 2.78Å; I323-C327 PolarHBondContact O-SG 3.21Å
324	M	92.9	Very high	88.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-45.4	-179	-70.9	-173.9	-67.6	0	0	112	I297 L300 Y301 S320 S321 C327 F328 F691 I694	I297-M324 HydrophobicContact CG2-CG 4.49Å; I297-M324 HydrophobicContact CG2-SD 4.41Å; L300-M324 HydrophobicContact CB-CE 4.4Å; L300-M324 HydrophobicContact CB-CG 3.84Å; L300-M324 HydrophobicContact CB-SD 3.73Å; L300-M324 HydrophobicContact CD1-CG 4.45Å; Y301-M324 PolarHBondContact N-SD 3.5Å; S320-M324 WeakPolarHBondContact O-CG 3.29Å; S320-M324 PolarHBondContact O-N 2.9Å; S321-M324 PolarHBondContact O-N 2.9Å; M324-C327 CarbonylContact O-C 3.58Å; M324-C327 PolarHBondContact O-N 3.03Å; M324-F328 WeakPolarHBondContact O-CB 3.26Å; M324-F328 PolarHBondContact O-N 2.88Å; M324-F691 HydrophobicContact CE-CE1 4.07Å; M324-F691 HydrophobicContact CE-CE2 4.03Å; M324-F691 HydrophobicContact CE-CZ 3.59Å; M324-I694 HydrophobicContact CB-CD1 3.64Å; M324-I694 HydrophobicContact CB-CG1 4.41Å; M324-I694 HydrophobicContact CE-CD1 3.94Å; M324-I694 HydrophobicContact SD-CD1 4.17Å; M324-I694 HydrophobicContact SD-CG2 4.21Å
325	R	87.8	Confident	88.8	Confident	33 Å²	33	30.9 Å²	30.9	13%	0.125	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-48.7	173.3	-70.2	173	80.3	-151.8	6.4	111.3	S321 C327 F328 I690 K823 D1199 A1202	S321-R325 WeakPolarHBondContact O-CG 3.09Å; S321-R325 PolarHBondContact O-N 2.95Å; R325-C327 PolarHBondContact O-N 3.07Å; R325-F328 WeakPolarHBondContact O-CB 3.15Å; R325-F328 PolarHBondContact O-N 3.32Å; R325-F328 VanDerWaalsContact O-N 3.09Å; R325-I690 HydrophobicContact CG-CG2 3.76Å; R325-K823 PolarHBondContact NH2-O 3.11Å; R325-D1199 IonicContact CZ-OD1 2.75Å; R325-D1199 IonicContact CZ-OD2 3.65Å; R325-D1199 IonicContact NH1-OD1 2.7Å; R325-D1199 PolarHBondContact NH1-OD1 2.78Å; R325-D1199 IonicContact NH1-OD2 3.68Å; R325-D1199 PolarHBondContact NH1-OD2 3.13Å; R325-A1202 HydrophobicContact CB-CB 4.18Å
326	K	86.9	Confident	88.6	Confident	28 Å²	28	32.2 Å²	32.2	12%	0.122	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-28	178.9	-177.8	165.4	-61.3	-164.4	0	113.2	N283 R288 L322 I323 A1202	N283-K326 PolarHBondContact OD1-NZ 2.81Å; R288-K326 WeakPolarHBondContact CD-O 3.15Å; L322-K326 WeakPolarHBondContact O-CB 3.11Å; L322-K326 PolarHBondContact O-N 2.92Å; I323-K326 PolarHBondContact O-N 3.39Å; K326-A1202 WeakPolarHBondContact CE-O 3.44Å
327	C	90	Very high	88.3	Confident	3 Å²	3	34 Å²	34	2%	0.02	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-0.1	176.8	-58	0	0	0	0	113.9	T282 F291 I297 I323 M324 R325	T282-C327 WeakPolarHBondContact CG2-SG 3.35Å; F291-C327 HydrophobicContact CD1-CB 3.63Å; F291-C327 WeakPolarHBondContact CD1-SG 3.4Å; F291-C327 HydrophobicContact CE1-CB 3.86Å; I297-C327 HydrophobicContact CD1-CB 4.49Å; I323-C327 WeakPolarHBondContact O-CB 3.46Å; I323-C327 PolarHBondContact O-N 2.78Å; I323-C327 PolarHBondContact O-SG 3.21Å; M324-C327 CarbonylContact O-C 3.58Å; M324-C327 PolarHBondContact O-N 3.03Å; R325-C327 PolarHBondContact O-N 3.07Å
328	F	87.6	Confident	88.1	Confident	27 Å²	27	34.2 Å²	34.2	12%	0.118	18%	0.177	C	C	.	.	S	Bend	trans	-70	139.7	179.7	-163	-82.8	0	0	0	109.6	M324 R325 K330 I694 L697 H825	M324-F328 WeakPolarHBondContact O-CB 3.26Å; M324-F328 PolarHBondContact O-N 2.88Å; R325-F328 WeakPolarHBondContact O-CB 3.15Å; R325-F328 PolarHBondContact O-N 3.32Å; R325-F328 VanDerWaalsContact O-N 3.09Å; F328-K330 PolarHBondContact O-N 2.97Å; F328-I694 HydrophobicContact CD2-CG1 4.32Å; F328-L697 HydrophobicContact CD2-CD2 3.82Å; F328-L697 HydrophobicContact CE2-CB 3.59Å; F328-L697 HydrophobicContact CE2-CD2 3.66Å; F328-L697 HydrophobicContact CE2-CG 4.24Å; F328-L697 HydrophobicContact CZ-CB 3.93Å; F328-L697 HydrophobicContact CZ-CD2 4.24Å; F328-H825 HydrophobicContact CD1-CB 3.47Å; F328-H825 VanDerWaalsContact CD1-CB 3.47Å; F328-H825 AromaticContact CD1-CD2 3.97Å; F328-H825 AromaticContact CD1-CG 3.65Å; F328-H825 HydrophobicContact CE1-CB 3.85Å; F328-H825 AromaticContact CE1-CD2 3.52Å; F328-H825 AromaticContact CE1-CG 3.45Å; F328-H825 VanDerWaalsContact CE1-CG 3.45Å; F328-H825 AromaticContact CE1-ND1 3.79Å; F328-H825 AromaticContact CE1-NE2 3.91Å; F328-H825 HydrophobicContact CG-CB 4.37Å
329	P	84.1	Confident	88.1	Confident	52 Å²	52	32.4 Å²	32.4	34%	0.338	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-57.8	124.5	178.2	-25.8	35.6	0	0	0	112.5	N331 L697	P329-N331 PolarHBondContact O-N 3.22Å; P329-L697 HydrophobicContact CG-CD1 4.36Å; P329-L697 HydrophobicContact CG-CD2 4.26Å
330	K	81.4	Confident	88.1	Confident	81 Å²	81	32.9 Å²	32.9	35%	0.352	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-69.3	121.1	173	-70.2	-177.4	176.5	-176.9	0	109.1	F328 V369 D374 H825 A827	F328-K330 PolarHBondContact O-N 2.97Å; K330-V369 HydrophobicContact CB-CG1 4.35Å; K330-D374 IonicContact NZ-OD1 3.8Å; K330-D374 PolarHBondContact NZ-OD1 3.41Å; K330-D374 IonicContact NZ-OD2 3.74Å; K330-H825 WeakPolarHBondContact CA-O 3.46Å; K330-A827 HydrophobicContact CB-CB 4.4Å
331	N	82.9	Confident	88	Confident	67 Å²	67	34.3 Å²	34.3	36%	0.358	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-105.4	160.3	-179.3	-73.7	-27.7	0	0	0	112.1	P329 H825 F826 A827	P329-N331 PolarHBondContact O-N 3.22Å; N331-H825 PolarHBondContact N-O 3.23Å; N331-H825 PolarHBondContact ND2-CD2 2.89Å; N331-H825 PolarHBondContact ND2-NE2 3.23Å; N331-F826 HydrophobicContact CB-CD1 3.72Å; N331-F826 HydrophobicContact CB-CE1 3.8Å; N331-F826 WeakPolarHBondContact O-CA 3.45Å; N331-A827 PolarHBondContact O-N 3.42Å
332	R	84.7	Confident	88.1	Confident	129 Å²	129	35.8 Å²	35.8	49%	0.487	19%	0.187	S	C	.	.			trans	-84.4	155.7	165	-71.8	-171	-164.1	-150.2	-1.6	110.7	D367 V369 F826	R332-D367 WeakPolarHBondContact CB-OD2 3.25Å; R332-D367 WeakPolarHBondContact CD-O 3.19Å; R332-D367 WeakPolarHBondContact CD-OD2 3.31Å; R332-D367 VanDerWaalsContact CG-OD2 3.23Å; R332-D367 WeakPolarHBondContact CG-OD2 3.37Å; R332-D367 PolarHBondContact NE-O 3.27Å; R332-D367 VanDerWaalsContact NE-O 3.08Å; R332-D367 PolarHBondContact NH1-O 3.04Å; R332-V369 HydrophobicContact CG-CG2 3.54Å; R332-F826 WeakPolarHBondContact O-CD1 3.26Å; R332-F826 VanDerWaalsContact O-CE1 3.3Å; R332-F826 WeakPolarHBondContact O-CE1 3.42Å
333	L	89.3	Confident	88.2	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.042	21%	0.208	C	C	.	.			trans	-66.8	147.8	170.5	-71.2	178.1	0	0	0	110.4	V335 I338 I782 N783 F826 Y841	L333-V335 HydrophobicContact CB-CG2 3.86Å; L333-V335 PolarHBondContact O-N 3.14Å; L333-I338 HydrophobicContact CD1-CG2 4.27Å; L333-I782 HydrophobicContact CD2-CD1 4.06Å; L333-I782 HydrophobicContact CD2-CG1 4.29Å; L333-N783 HydrophobicContact CD1-CB 3.59Å; L333-N783 HydrophobicContact CD2-CB 3.94Å; L333-N783 HydrophobicContact CG-CB 4.46Å; L333-F826 HydrophobicContact CD2-CB 3.94Å; L333-F826 HydrophobicContact CD2-CD1 4.11Å; L333-F826 HydrophobicContact CD2-CD2 4.31Å; L333-F826 HydrophobicContact CD2-CG 3.86Å; L333-Y841 HydrophobicContact CD1-CD2 4.02Å; L333-Y841 HydrophobicContact CD1-CE1 4.15Å; L333-Y841 HydrophobicContact CD1-CE2 3.44Å; L333-Y841 VanDerWaalsContact CD1-CE2 3.44Å; L333-Y841 HydrophobicContact CD2-CD2 4.16Å; L333-Y841 HydrophobicContact CD2-CE2 4.37Å; L333-Y841 HydrophobicContact CG-CD2 4.03Å; L333-Y841 HydrophobicContact CG-CE2 3.76Å
334	P	90.6	Very high	88.3	Confident	47 Å²	47	42 Å²	42	31%	0.305	22%	0.215	S	C	.	.	S	Bend	trans	-80.6	42.6	-174.4	33.7	-36.7	0	0	0	113.8	K738 I740 V750 I782	P334-K738 WeakPolarHBondContact O-CD 3.45Å; P334-K738 VanDerWaalsContact O-CE 3.31Å; P334-K738 WeakPolarHBondContact O-CE 3.22Å; P334-K738 PolarHBondContact O-NZ 2.69Å; P334-I740 HydrophobicContact CB-CD1 3.57Å; P334-I740 HydrophobicContact CG-CD1 3.49Å; P334-I740 VanDerWaalsContact CG-CD1 3.49Å; P334-V750 HydrophobicContact CG-CG2 3.96Å; P334-I782 HydrophobicContact CG-CD1 4.11Å
335	V	88.4	Confident	88.3	Confident	20 Å²	20	49.7 Å²	49.7	12%	0.121	25%	0.251	C	S	.	.	S	Bend	trans	-124.9	155.4	-178.4	-71.1	0	0	0	0	110.6	L333 T337 K738 V750	L333-V335 HydrophobicContact CB-CG2 3.86Å; L333-V335 PolarHBondContact O-N 3.14Å; V335-T337 VanDerWaalsContact C-N 3.29Å; V335-T337 WeakPolarHBondContact CG2-O 3.33Å; V335-T337 PolarHBondContact O-N 3.33Å; V335-K738 HydrophobicContact CG1-CD 4.36Å; V335-V750 HydrophobicContact CG1-CB 4.43Å; V335-V750 HydrophobicContact CG1-CG1 3.89Å
336	P	85.6	Confident	88.5	Confident	82 Å²	82	48.7 Å²	48.7	53%	0.532	25%	0.248	S	C	.	.	S	Bend	trans	-70.6	-22.3	-179.3	27.6	-34.9	0	0	0	114.1	D712	P336-D712 HydrophobicContact CG-CB 4.28Å
337	T	86.2	Confident	88.5	Confident	38 Å²	38	51.6 Å²	51.6	23%	0.233	27%	0.269	C	S	.	.			trans	-160.1	152.3	178.4	168.3	0	0	0	0	108.2	V335 K339 D366 R737	V335-T337 VanDerWaalsContact C-N 3.29Å; V335-T337 WeakPolarHBondContact CG2-O 3.33Å; V335-T337 PolarHBondContact O-N 3.33Å; T337-K339 VanDerWaalsContact C-N 3.3Å; T337-K339 HydrophobicContact CG2-CB 4.35Å; T337-K339 WeakPolarHBondContact OG1-CB 3.43Å; T337-K339 WeakPolarHBondContact OG1-CG 3.48Å; T337-K339 PolarHBondContact OG1-N 2.88Å; T337-K339 VanDerWaalsContact OG1-N 3.17Å; T337-D366 PolarHBondContact OG1-OD2 2.91Å; T337-R737 PolarHBondContact O-NH1 3.19Å; T337-R737 VanDerWaalsContact O-NH1 3.08Å
338	I	86.1	Confident	88.4	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-82.7	-9.9	174.6	56.9	158.8	0	0	0	112.8	L333 D366 D367 N758 A832	L333-I338 HydrophobicContact CD1-CG2 4.27Å; I338-D366 VanDerWaalsContact CG1-CG 3.42Å; I338-D366 WeakPolarHBondContact CG1-OD1 3.27Å; I338-D366 WeakPolarHBondContact CG1-OD2 3.41Å; I338-D366 PolarHBondContact N-OD2 3.37Å; I338-D367 HydrophobicContact CG2-CB 4.44Å; I338-N758 HydrophobicContact CD1-CB 4.04Å; I338-N758 HydrophobicContact CG1-CB 4.04Å; I338-N758 WeakPolarHBondContact O-CA 3.06Å; I338-A832 HydrophobicContact CD1-CB 3.32Å
339	K	88.3	Confident	88.3	Confident	36 Å²	36	56.6 Å²	56.6	16%	0.157	30%	0.296	C	S	.	.	S	Bend	trans	-63.1	148.8	169.5	-58.4	177	-172.5	-176.2	0	110.1	T337 L358 Q361 D366 R737 N758	T337-K339 VanDerWaalsContact C-N 3.3Å; T337-K339 HydrophobicContact CG2-CB 4.35Å; T337-K339 WeakPolarHBondContact OG1-CB 3.43Å; T337-K339 WeakPolarHBondContact OG1-CG 3.48Å; T337-K339 PolarHBondContact OG1-N 2.88Å; T337-K339 VanDerWaalsContact OG1-N 3.17Å; K339-L358 HydrophobicContact CD-CD1 4.17Å; K339-L358 HydrophobicContact CD-CG 4.04Å; K339-L358 HydrophobicContact CG-CD1 4.01Å; K339-L358 HydrophobicContact CG-CD2 4.43Å; K339-L358 HydrophobicContact CG-CG 4.23Å; K339-L358 PolarHBondContact NZ-O 3.37Å; K339-Q361 PolarHBondContact NZ-O 2.87Å; K339-D366 WeakPolarHBondContact CE-OD1 3.4Å; K339-R737 PolarHBondContact O-NH1 3.14Å; K339-R737 PolarHBondContact O-NH2 3.48Å; K339-N758 HydrophobicContact CG-CB 4.2Å
340	S	91.4	Very high	88.3	Confident	16 Å²	16	56.5 Å²	56.5	11%	0.112	30%	0.296	C	S	.	.			trans	-51.3	142.1	178.1	-165.1	0	0	0	0	112.3	F342 N752 A753 D754 S757	S340-F342 WeakPolarHBondContact CB-O 3.47Å; S340-F342 PolarHBondContact O-N 2.82Å; S340-F342 PolarHBondContact OG-O 2.98Å; S340-N752 WeakPolarHBondContact CA-OD1 3.25Å; S340-N752 PolarHBondContact OG-ND2 2.91Å; S340-N752 PolarHBondContact OG-OD1 2.74Å; S340-A753 VanDerWaalsContact CB-O 3.29Å; S340-A753 WeakPolarHBondContact CB-O 3.24Å; S340-A753 PolarHBondContact OG-O 2.68Å; S340-D754 WeakPolarHBondContact CB-O 3.32Å; S340-S757 PolarHBondContact N-O 3.3Å
341	A	92.4	Very high	88.4	Confident	30 Å²	30	58.6 Å²	58.6	25%	0.248	32%	0.318	C	S	.	.	S	Bend	trans	-65.9	-18.2	174.3	0	0	0	0	0	112.7	I711 R737 N752	A341-I711 HydrophobicContact CB-CG2 3.99Å; A341-R737 HydrophobicContact CB-CG 4.27Å; A341-N752 PolarHBondContact N-OD1 3.14Å
342	F	92.7	Very high	88.2	Confident	35 Å²	35	57.5 Å²	57.5	15%	0.154	32%	0.323	C	S	.	.			trans	-111.5	137.9	175.5	-53.8	-43.4	0	0	0	110.6	S340 V655 P656 I711 I755	S340-F342 WeakPolarHBondContact CB-O 3.47Å; S340-F342 PolarHBondContact O-N 2.82Å; S340-F342 PolarHBondContact OG-O 2.98Å; F342-V655 HydrophobicContact CB-CG1 4.41Å; F342-P656 HydrophobicContact CD1-CB 4.04Å; F342-P656 HydrophobicContact CD2-CB 4.48Å; F342-P656 HydrophobicContact CD2-CG 4.22Å; F342-P656 HydrophobicContact CE1-CB 3.7Å; F342-P656 HydrophobicContact CE1-CG 4.35Å; F342-P656 HydrophobicContact CE2-CB 4.16Å; F342-P656 HydrophobicContact CE2-CG 3.9Å; F342-P656 HydrophobicContact CG-CB 4.43Å; F342-P656 HydrophobicContact CZ-CB 3.76Å; F342-P656 HydrophobicContact CZ-CG 3.97Å; F342-I711 HydrophobicContact CE1-CG2 3.66Å; F342-I711 HydrophobicContact CZ-CD1 4.2Å; F342-I711 HydrophobicContact CZ-CG2 3.77Å; F342-I755 HydrophobicContact CB-CD1 3.74Å; F342-I755 HydrophobicContact CB-CG1 4.01Å; F342-I755 HydrophobicContact CD2-CD1 4.35Å
343	H	90	Very high	87.8	Confident	111 Å²	111	52.2 Å²	52.2	51%	0.514	31%	0.308	S	S	.	.			trans	-122.9	138.1	179.8	160.5	61.7	0	0	0	109.4	Y359 V655 N756	H343-Y359 AromaticContact CE1-CZ 3.44Å; H343-Y359 VanDerWaalsContact CE1-CZ 3.44Å; H343-Y359 PolarHBondContact CE1-OH 3.24Å; H343-Y359 AromaticContact ND1-CE1 3.84Å; H343-Y359 AromaticContact ND1-CZ 3.56Å; H343-Y359 PolarHBondContact ND1-OH 3.18Å; H343-V655 WeakPolarHBondContact O-CG1 3.32Å; H343-N756 PolarHBondContact ND1-OD1 3.43Å
344	F	94.1	Very high	87	Confident	36 Å²	36	55 Å²	55	16%	0.158	33%	0.327	C	S	.	.			trans	-119.7	127.2	174.4	178.8	-96.5	0	0	0	110.4	L346 Y359 V655 I755 N756 L896 L987	F344-L346 HydrophobicContact CD1-CD2 3.95Å; F344-L346 HydrophobicContact CE1-CD2 4.16Å; F344-L346 PolarHBondContact O-N 3.2Å; F344-Y359 PolarHBondContact O-OH 2.92Å; F344-V655 HydrophobicContact CB-CG1 4.42Å; F344-V655 HydrophobicContact CB-CG2 4.21Å; F344-V655 HydrophobicContact CD2-CG2 3.91Å; F344-V655 HydrophobicContact CG-CG2 4.4Å; F344-I755 HydrophobicContact CB-CG2 3.81Å; F344-N756 PolarHBondContact N-OD1 3.18Å; F344-N756 PolarHBondContact O-ND2 3.1Å; F344-N756 PolarHBondContact O-OD1 2.8Å; F344-L896 HydrophobicContact CE1-CB 3.9Å; F344-L896 HydrophobicContact CE1-CD2 4.28Å; F344-L896 HydrophobicContact CE1-CG 4.49Å; F344-L896 HydrophobicContact CZ-CB 4.09Å; F344-L896 WeakPolarHBondContact CZ-O 3.36Å; F344-L987 HydrophobicContact CB-CB 4.35Å; F344-L987 HydrophobicContact CD1-CB 3.7Å; F344-L987 HydrophobicContact CD1-CD1 4.15Å; F344-L987 HydrophobicContact CD2-CD1 3.9Å; F344-L987 HydrophobicContact CE1-CB 4.23Å; F344-L987 HydrophobicContact CE1-CD1 4.35Å; F344-L987 HydrophobicContact CE2-CD1 4.1Å; F344-L987 HydrophobicContact CG-CB 4.04Å; F344-L987 HydrophobicContact CG-CD1 3.93Å; F344-L987 HydrophobicContact CG-CG 4.47Å; F344-L987 HydrophobicContact CZ-CD1 4.33Å
345	Q	93	Very high	86.6	Confident	161 Å²	161	53 Å²	53	75%	0.752	31%	0.313	S	S	*	.			trans	-78.7	115.6	178.8	-175.5	176.5	-6.2	0	0	110.3
346	L	91.9	Very high	86.4	Confident	11 Å²	11	54.1 Å²	54.1	6%	0.058	32%	0.319	C	S	.	.			trans	-72	148.9	177.3	-59.7	179.5	0	0	0	112	F344 Q348 V349 V355 L896 L987 L1003	F344-L346 HydrophobicContact CD1-CD2 3.95Å; F344-L346 HydrophobicContact CE1-CD2 4.16Å; F344-L346 PolarHBondContact O-N 3.2Å; L346-Q348 VanDerWaalsContact C-N 3.3Å; L346-Q348 VanDerWaalsContact CB-O 3.27Å; L346-Q348 WeakPolarHBondContact CB-O 3.4Å; L346-Q348 PolarHBondContact O-N 3.07Å; L346-V349 HydrophobicContact CB-CG2 4.21Å; L346-V349 HydrophobicContact CD1-CG2 4.48Å; L346-V355 HydrophobicContact CD1-CB 4.18Å; L346-V355 HydrophobicContact CD1-CG1 3.91Å; L346-V355 HydrophobicContact CD1-CG2 4.23Å; L346-L896 HydrophobicContact CD2-CD1 4.27Å; L346-L987 WeakPolarHBondContact CD2-O 3.23Å; L346-L1003 HydrophobicContact CB-CD2 4.27Å; L346-L1003 HydrophobicContact CD1-CD2 4.2Å; L346-L1003 HydrophobicContact CD2-CD2 4.19Å; L346-L1003 HydrophobicContact CG-CD2 4.46Å
347	P	88.1	Confident	86	Confident	89 Å²	89	55.4 Å²	55.4	58%	0.578	32%	0.318	S	S	*	.	S	Bend	trans	-59.4	-41.7	172.4	-22.2	32.9	0	0	0	112.5	L896	P347-L896 HydrophobicContact CG-CD2 4.17Å
348	Q	86.7	Confident	85.7	Confident	80 Å²	80	54.1 Å²	54.1	37%	0.374	31%	0.309	S	S	.	.	S	Bend	trans	-134.7	144.1	172.6	49.6	170.1	-0.9	0	0	109.4	L346 D1000 L1003	L346-Q348 VanDerWaalsContact C-N 3.3Å; L346-Q348 VanDerWaalsContact CB-O 3.27Å; L346-Q348 WeakPolarHBondContact CB-O 3.4Å; L346-Q348 PolarHBondContact O-N 3.07Å; Q348-D1000 VanDerWaalsContact NE2-CG 3.33Å; Q348-D1000 PolarHBondContact NE2-OD1 3.29Å; Q348-D1000 VanDerWaalsContact NE2-OD1 3.09Å; Q348-D1000 PolarHBondContact NE2-OD2 3.11Å; Q348-L1003 HydrophobicContact CG-CD1 4.36Å; Q348-L1003 HydrophobicContact CG-CD2 4.33Å; Q348-L1003 HydrophobicContact CG-CG 4.25Å
349	V	87.1	Confident	85.1	Confident	55 Å²	55	58.1 Å²	58.1	33%	0.333	33%	0.325	S	S	.	.			trans	-111.1	111.6	175.7	179.5	0	0	0	0	107.7	L346 P351 D356	L346-V349 HydrophobicContact CB-CG2 4.21Å; L346-V349 HydrophobicContact CD1-CG2 4.48Å; V349-P351 WeakPolarHBondContact O-CD 3.32Å; V349-D356 HydrophobicContact CG1-CB 3.79Å
350	P	84.1	Confident	84.5	Confident	50 Å²	50	61.8 Å²	61.8	33%	0.325	35%	0.346	S	S	.	.			trans	-63.5	122.5	-179.2	-24.6	35.2	0	0	0	111.7	G352 G353 D356 L1003	P350-G352 PolarHBondContact O-N 3Å; P350-G353 PolarHBondContact O-N 3.01Å; P350-D356 WeakPolarHBondContact O-CB 3.45Å; P350-L1003 HydrophobicContact CG-CD1 3.44Å; P350-L1003 VanDerWaalsContact CG-CD1 3.44Å
351	P	83.3	Confident	83.4	Confident	125 Å²	125	63.2 Å²	63.2	81%	0.812	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	125.8	179.4	-25.1	35	0	0	0	111.8	V349 G353	V349-P351 WeakPolarHBondContact O-CD 3.32Å; P351-G353 VanDerWaalsContact C-N 3.25Å; P351-G353 PolarHBondContact O-N 3.34Å
352	G	77.3	Confident	81.9	Confident	45 Å²	45	68 Å²	68	46%	0.464	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-1.8	-174.2	0	0	0	0	0	115.5	P350 D356 Q357	P350-G352 PolarHBondContact O-N 3Å; G352-D356 PolarHBondContact N-OD2 3.13Å; G352-Q357 PolarHBondContact O-NE2 3.37Å
353	G	76.3	Confident	80.1	Confident	17 Å²	17	71.7 Å²	71.7	18%	0.175	40%	0.402	C	S	.	.	S	Bend	trans	-69.9	166.6	172.8	0	0	0	0	0	112.6	P350 P351 V355 D356 Q357	P350-G353 PolarHBondContact O-N 3.01Å; P351-G353 VanDerWaalsContact C-N 3.25Å; P351-G353 PolarHBondContact O-N 3.34Å; G353-V355 VanDerWaalsContact C-N 3.25Å; G353-V355 PolarHBondContact O-N 3.27Å; G353-V355 VanDerWaalsContact O-N 3.13Å; G353-D356 WeakPolarHBondContact O-CB 3.2Å; G353-D356 PolarHBondContact O-N 3.15Å; G353-Q357 WeakPolarHBondContact O-CG 3.43Å; G353-Q357 PolarHBondContact O-N 2.97Å
354	P	73.4	Confident	78.3	Confident	67 Å²	67	69.4 Å²	69.4	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-54	-40	-173.3	-28.4	36.1	0	0	0	113.8	Q357 L358 E990	P354-Q357 PolarHBondContact O-N 3.4Å; P354-L358 WeakPolarHBondContact O-CB 3.31Å; P354-L358 PolarHBondContact O-N 2.96Å; P354-E990 HydrophobicContact CG-CG 4.34Å
355	V	83.3	Confident	76.3	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.024	42%	0.418	C	S	.	.	H	α-helix	trans	-72.8	-35.4	179.8	178.6	0	0	0	0	112.7	L346 G353 L358 Y359 N756 S988	L346-V355 HydrophobicContact CD1-CB 4.18Å; L346-V355 HydrophobicContact CD1-CG1 3.91Å; L346-V355 HydrophobicContact CD1-CG2 4.23Å; G353-V355 VanDerWaalsContact C-N 3.25Å; G353-V355 PolarHBondContact O-N 3.27Å; G353-V355 VanDerWaalsContact O-N 3.13Å; V355-L358 PolarHBondContact O-N 3.27Å; V355-Y359 HydrophobicContact CG1-CD1 4.47Å; V355-Y359 HydrophobicContact CG1-CD2 3.8Å; V355-Y359 HydrophobicContact CG1-CE1 3.97Å; V355-Y359 HydrophobicContact CG1-CE2 3.21Å; V355-Y359 HydrophobicContact CG1-CG 4.39Å; V355-Y359 WeakPolarHBondContact CG1-OH 3.36Å; V355-Y359 VanDerWaalsContact O-CG 3.29Å; V355-Y359 PolarHBondContact O-N 2.89Å; V355-N756 HydrophobicContact CG2-CB 3.97Å; V355-S988 WeakPolarHBondContact CG2-O 3.29Å
356	D	82.6	Confident	74.6	Confident	44 Å²	44	63 Å²	63	24%	0.235	38%	0.383	C	S	.	.	H	α-helix	trans	-65.6	-44.4	173.1	-173.7	49.7	0	0	0	110.7	V349 P350 G352 G353 L358 Y359 N360	V349-D356 HydrophobicContact CG1-CB 3.79Å; P350-D356 WeakPolarHBondContact O-CB 3.45Å; G352-D356 PolarHBondContact N-OD2 3.13Å; G353-D356 WeakPolarHBondContact O-CB 3.2Å; G353-D356 PolarHBondContact O-N 3.15Å; D356-L358 VanDerWaalsContact C-N 3.32Å; D356-L358 PolarHBondContact O-N 2.88Å; D356-Y359 PolarHBondContact O-N 2.81Å; D356-N360 VanDerWaalsContact CG-ND2 3.27Å; D356-N360 WeakPolarHBondContact O-CB 3.32Å; D356-N360 PolarHBondContact O-N 3.32Å; D356-N360 PolarHBondContact O-ND2 3.43Å; D356-N360 PolarHBondContact OD1-ND2 3.12Å
357	Q	78.8	Confident	73	Confident	109 Å²	109	63.3 Å²	63.3	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-58.3	-45.4	172.9	-62.9	179.7	36.7	0	0	110.9	G352 G353 P354 Y359 N360 Q361	G352-Q357 PolarHBondContact O-NE2 3.37Å; G353-Q357 WeakPolarHBondContact O-CG 3.43Å; G353-Q357 PolarHBondContact O-N 2.97Å; P354-Q357 PolarHBondContact O-N 3.4Å; Q357-Y359 PolarHBondContact O-N 3.03Å; Q357-N360 PolarHBondContact O-N 3.28Å; Q357-Q361 WeakPolarHBondContact O-CG 3.45Å; Q357-Q361 PolarHBondContact O-N 2.81Å; Q357-Q361 VanDerWaalsContact O-N 3.17Å
358	L	78.8	Confident	71.5	Confident	11 Å²	11	62 Å²	62	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-65.7	-36.1	-179.4	-160.4	73.1	0	0	0	113.3	K339 P354 V355 D356 N756 N758	K339-L358 HydrophobicContact CD-CD1 4.17Å; K339-L358 HydrophobicContact CD-CG 4.04Å; K339-L358 HydrophobicContact CG-CD1 4.01Å; K339-L358 HydrophobicContact CG-CD2 4.43Å; K339-L358 HydrophobicContact CG-CG 4.23Å; K339-L358 PolarHBondContact NZ-O 3.37Å; P354-L358 WeakPolarHBondContact O-CB 3.31Å; P354-L358 PolarHBondContact O-N 2.96Å; V355-L358 PolarHBondContact O-N 3.27Å; D356-L358 VanDerWaalsContact C-N 3.32Å; D356-L358 PolarHBondContact O-N 2.88Å; L358-N756 WeakPolarHBondContact CD2-O 3.32Å; L358-N758 HydrophobicContact CD1-CB 4.14Å
359	Y	74.6	Confident	70	Confident	89 Å²	89	59.5 Å²	59.5	35%	0.349	37%	0.365	S	S	.	.	H	α-helix	trans	-80.3	-31.1	178.3	-64.1	-15.8	0	0	0	113	H343 F344 V355 D356 Q357 Q361 N756	H343-Y359 AromaticContact CE1-CZ 3.44Å; H343-Y359 VanDerWaalsContact CE1-CZ 3.44Å; H343-Y359 PolarHBondContact CE1-OH 3.24Å; H343-Y359 AromaticContact ND1-CE1 3.84Å; H343-Y359 AromaticContact ND1-CZ 3.56Å; H343-Y359 PolarHBondContact ND1-OH 3.18Å; F344-Y359 PolarHBondContact O-OH 2.92Å; V355-Y359 HydrophobicContact CG1-CD1 4.47Å; V355-Y359 HydrophobicContact CG1-CD2 3.8Å; V355-Y359 HydrophobicContact CG1-CE1 3.97Å; V355-Y359 HydrophobicContact CG1-CE2 3.21Å; V355-Y359 HydrophobicContact CG1-CG 4.39Å; V355-Y359 WeakPolarHBondContact CG1-OH 3.36Å; V355-Y359 VanDerWaalsContact O-CG 3.29Å; V355-Y359 PolarHBondContact O-N 2.89Å; D356-Y359 PolarHBondContact O-N 2.81Å; Q357-Y359 PolarHBondContact O-N 3.03Å; Y359-Q361 VanDerWaalsContact C-N 3.31Å; Y359-Q361 PolarHBondContact O-N 3.06Å; Y359-N756 PolarHBondContact OH-ND2 3.19Å; Y359-N756 PolarHBondContact OH-OD1 2.94Å
360	N	74.4	Confident	68.5	Low	113 Å²	113	59.5 Å²	59.5	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-77.1	-13.8	175	-70.3	-57.1	0	0	0	113.6	D356 Q357 L362	D356-N360 VanDerWaalsContact CG-ND2 3.27Å; D356-N360 WeakPolarHBondContact O-CB 3.32Å; D356-N360 PolarHBondContact O-N 3.32Å; D356-N360 PolarHBondContact O-ND2 3.43Å; D356-N360 PolarHBondContact OD1-ND2 3.12Å; Q357-N360 PolarHBondContact O-N 3.28Å; N360-L362 PolarHBondContact O-N 2.81Å
361	Q	68.8	Low	66.8	Low	45 Å²	45	63 Å²	63	21%	0.21	38%	0.375	C	S	.	.	S	Bend	trans	-68.6	113.7	171.7	-81.5	170	4.3	0	0	112.4	K339 Q357 Y359 S363 V831	K339-Q361 PolarHBondContact NZ-O 2.87Å; Q357-Q361 WeakPolarHBondContact O-CG 3.45Å; Q357-Q361 PolarHBondContact O-N 2.81Å; Q357-Q361 VanDerWaalsContact O-N 3.17Å; Y359-Q361 VanDerWaalsContact C-N 3.31Å; Y359-Q361 PolarHBondContact O-N 3.06Å; Q361-S363 PolarHBondContact O-N 3.19Å; Q361-V831 HydrophobicContact CG-CG1 4.32Å
362	L	61	Low	65.2	Low	130 Å²	130	61.5 Å²	61.5	68%	0.681	37%	0.368	S	S	*	.			trans	-52.4	131.3	174.2	-66.1	170.1	0	0	0	112.5	N360 G364 V365	N360-L362 PolarHBondContact O-N 2.81Å; L362-G364 PolarHBondContact O-N 3.25Å; L362-V365 HydrophobicContact CB-CG2 3.9Å; L362-V365 PolarHBondContact O-N 3.46Å
363	S	54.6	Low	63.9	Low	114 Å²	114	61.9 Å²	61.9	80%	0.797	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.5	-170.4	-37.3	0	0	0	0	116.1	Q361	Q361-S363 PolarHBondContact O-N 3.19Å
364	G	53.2	Low	62.7	Low	63 Å²	63	63.5 Å²	63.5	65%	0.649	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-2	177.7	0	0	0	0	0	115.5	L362 V368	L362-G364 PolarHBondContact O-N 3.25Å; G364-V368 WeakPolarHBondContact O-CG2 3.31Å
365	V	51.1	Low	61.4	Low	60 Å²	60	63 Å²	63	36%	0.364	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-26.1	-171.6	-177.3	0	0	0	0	112.6	L362 D367 V368 V831	L362-V365 HydrophobicContact CB-CG2 3.9Å; L362-V365 PolarHBondContact O-N 3.46Å; V365-D367 VanDerWaalsContact C-N 3.34Å; V365-D367 PolarHBondContact O-N 3.11Å; V365-V368 PolarHBondContact O-N 2.82Å; V365-V831 HydrophobicContact CG1-CG1 4.49Å; V365-V831 HydrophobicContact CG1-CG2 4.1Å
366	D	58.2	Low	59.4	Low	3 Å²	3	70.3 Å²	70.3	2%	0.016	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-43.5	-173.5	-171.2	47.8	0	0	0	114.7	T337 I338 K339 S829	T337-D366 PolarHBondContact OG1-OD2 2.91Å; I338-D366 VanDerWaalsContact CG1-CG 3.42Å; I338-D366 WeakPolarHBondContact CG1-OD1 3.27Å; I338-D366 WeakPolarHBondContact CG1-OD2 3.41Å; I338-D366 PolarHBondContact N-OD2 3.37Å; K339-D366 WeakPolarHBondContact CE-OD1 3.4Å; D366-S829 WeakPolarHBondContact O-CB 3.38Å; D366-S829 PolarHBondContact O-OG 3.23Å
367	D	58	Low	57.4	Low	16 Å²	16	75 Å²	75	9%	0.086	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	42.1	179.7	-170.1	26	0	0	0	113.1	R332 I338 V365 V369	R332-D367 WeakPolarHBondContact CB-OD2 3.25Å; R332-D367 WeakPolarHBondContact CD-O 3.19Å; R332-D367 WeakPolarHBondContact CD-OD2 3.31Å; R332-D367 VanDerWaalsContact CG-OD2 3.23Å; R332-D367 WeakPolarHBondContact CG-OD2 3.37Å; R332-D367 PolarHBondContact NE-O 3.27Å; R332-D367 VanDerWaalsContact NE-O 3.08Å; R332-D367 PolarHBondContact NH1-O 3.04Å; I338-D367 HydrophobicContact CG2-CB 4.44Å; V365-D367 VanDerWaalsContact C-N 3.34Å; V365-D367 PolarHBondContact O-N 3.11Å; D367-V369 PolarHBondContact O-N 3.01Å
368	V	56.4	Low	55.3	Low	63 Å²	63	74.2 Å²	74.2	38%	0.382	42%	0.424	S	S	.	.			trans	-76.5	103.9	170.9	179.2	0	0	0	0	109.7	G364 V365 D370 S829	G364-V368 WeakPolarHBondContact O-CG2 3.31Å; V365-V368 PolarHBondContact O-N 2.82Å; V368-D370 PolarHBondContact O-N 2.9Å; V368-D370 VanDerWaalsContact O-N 3.15Å; V368-S829 WeakPolarHBondContact O-CB 3.46Å
369	V	55.8	Low	53.1	Low	26 Å²	26	83.4 Å²	83.4	16%	0.158	47%	0.467	C	S	.	.			trans	-56.8	115.5	167.6	-174.7	0	0	0	0	108.9	K330 R332 D367 E371 A827	K330-V369 HydrophobicContact CB-CG1 4.35Å; R332-V369 HydrophobicContact CG-CG2 3.54Å; D367-V369 PolarHBondContact O-N 3.01Å; V369-E371 PolarHBondContact O-N 2.66Å; V369-A827 HydrophobicContact CG1-CB 4.27Å
370	D	53.8	Low	51.2	Low	55 Å²	55	82.7 Å²	82.7	29%	0.294	49%	0.487	S	S	.	.			trans	-78.7	92.8	-176.6	-159.2	-23.9	0	0	0	111.2	V368 S372	V368-D370 PolarHBondContact O-N 2.9Å; V368-D370 VanDerWaalsContact O-N 3.15Å; D370-S372 PolarHBondContact O-N 3.28Å; D370-S372 WeakPolarHBondContact OD1-CA 3.48Å; D370-S372 WeakPolarHBondContact OD1-CB 3.34Å; D370-S372 PolarHBondContact OD1-N 2.85Å; D370-S372 PolarHBondContact OD1-OG 3.48Å
371	E	50	Low	48.9	Very low	124 Å²	124	86 Å²	86	58%	0.579	50%	0.499	S	S	*	.	S	Bend	trans	-64.5	-11.7	173	-82.1	-83.4	130.5	0	0	113	K285 V369	K285-E371 WeakPolarHBondContact CE-OE2 3.37Å; K285-E371 PolarHBondContact NZ-O 3.47Å; K285-E371 IonicContact NZ-OE2 3.7Å; K285-E371 PolarHBondContact NZ-OE2 3.06Å; V369-E371 PolarHBondContact O-N 2.66Å
372	S	48.5	Very low	47	Very low	94 Å²	94	89.6 Å²	89.6	66%	0.657	52%	0.524	S	S	*	.	S	Bend	trans	-79.1	-42.6	-172.5	-34.8	0	0	0	0	112.9	D370	D370-S372 PolarHBondContact O-N 3.28Å; D370-S372 WeakPolarHBondContact OD1-CA 3.48Å; D370-S372 WeakPolarHBondContact OD1-CB 3.34Å; D370-S372 PolarHBondContact OD1-N 2.85Å; D370-S372 PolarHBondContact OD1-OG 3.48Å
373	D	49.7	Very low	45.6	Very low	53 Å²	53	90.4 Å²	90.4	28%	0.283	53%	0.529	S	S	.	.			trans	-95.3	-8.6	-149.6	-89.3	4.7	0	0	0	115.6	D375 E376 K837	D373-D375 PolarHBondContact O-N 2.88Å; D373-E376 PolarHBondContact O-N 2.85Å; D373-K837 HydrophobicContact CB-CD 4.31Å; D373-K837 VanDerWaalsContact CG-NZ 3.29Å; D373-K837 IonicContact OD1-NZ 2.71Å; D373-K837 VanDerWaalsContact OD2-CD 3.3Å; D373-K837 WeakPolarHBondContact OD2-CD 3.42Å; D373-K837 WeakPolarHBondContact OD2-CE 3.25Å; D373-K837 IonicContact OD2-NZ 3.33Å; D373-K837 PolarHBondContact OD2-NZ 3.05Å
374	D	50.8	Low	44.3	Very low	51 Å²	51	89.6 Å²	89.6	27%	0.273	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-0.7	-175.2	-120.8	39.7	0	0	0	116.3	K285 R288 K330	K285-D374 HydrophobicContact CD-CB 4.47Å; R288-D374 IonicContact CZ-OD2 3.65Å; R288-D374 IonicContact NE-OD2 2.7Å; R288-D374 PolarHBondContact NE-OD2 3.29Å; R288-D374 VanDerWaalsContact NH2-CG 3.26Å; R288-D374 PolarHBondContact NH2-O 2.97Å; R288-D374 IonicContact NH2-OD2 3.3Å; R288-D374 PolarHBondContact NH2-OD2 3.22Å; K330-D374 IonicContact NZ-OD1 3.8Å; K330-D374 PolarHBondContact NZ-OD1 3.41Å; K330-D374 IonicContact NZ-OD2 3.74Å
375	D	46.1	Very low	43.6	Very low	56 Å²	56	90.3 Å²	90.3	30%	0.299	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-10.5	176.9	-82.7	-41.9	0	0	0	113.5	K236 I284 K285 D373	K236-D375 PolarHBondContact NZ-O 3.22Å; I284-D375 VanDerWaalsContact CA-OD1 3.28Å; I284-D375 WeakPolarHBondContact CA-OD1 3.36Å; K285-D375 WeakPolarHBondContact CB-OD2 3.32Å; K285-D375 PolarHBondContact N-OD1 2.62Å; D373-D375 PolarHBondContact O-N 2.88Å
376	E	42.3	Very low	43	Very low	158 Å²	158	89.8 Å²	89.8	74%	0.738	50%	0.501	S	S	*	.			trans	-107.6	63.5	-178.3	-72.7	-145.4	160.4	0	0	115	D373	D373-E376 PolarHBondContact O-N 2.85Å
377	E	40.8	Very low	41.9	Very low	141 Å²	141	93.1 Å²	93.1	66%	0.659	52%	0.518	S	S	*	.			trans	-118.5	150.6	154.9	-82.9	174.8	-166.2	0	0	111.7	K236	K236-E377 PolarHBondContact NZ-O 3.21Å
378	A	34.9	Very low	41.1	Very low	94 Å²	94	96.2 Å²	96.2	78%	0.777	53%	0.532	S	S	*	.			trans	-121.1	155.8	-175.9	0	0	0	0	0	111.1	G380	A378-G380 PolarHBondContact O-N 2.66Å
379	E	33.2	Very low	40.5	Very low	204 Å²	204	95.4 Å²	95.4	95%	0.953	53%	0.526	S	S	*	.	S	Bend	trans	-67.9	99.7	-179.4	-63.4	173.1	-176.9	0	0	110.6
380	G	34	Very low	39.3	Very low	74 Å²	74	100.6 Å²	100.6	76%	0.763	55%	0.546	S	S	*	.			trans	163.1	18.6	175.2	0	0	0	0	0	120.8	A378	A378-G380 PolarHBondContact O-N 2.66Å
381	E	26	Very low	38.4	Very low	183 Å²	183	105.3 Å²	105.3	86%	0.855	57%	0.572	S	S	*	*			trans	-101.9	120.6	165.4	-60.7	-153	165.4	0	0	110.2
382	T	29	Very low	37.5	Very low	119 Å²	119	109 Å²	109	73%	0.73	59%	0.589	S	S	*	*			trans	-86	121.3	160.2	46.7	0	0	0	0	107.4	T384	T382-T384 VanDerWaalsContact C-N 3.26Å; T382-T384 PolarHBondContact O-N 3.44Å
383	D	31.1	Very low	36.6	Very low	147 Å²	147	109.7 Å²	109.7	79%	0.786	59%	0.593	S	S	*	*			trans	-62.9	82.2	179.6	-78.8	-45.1	0	0	0	111.6	E385	D383-E385 PolarHBondContact O-N 2.59Å; D383-E385 VanDerWaalsContact O-N 3.1Å
384	T	28.4	Very low	35.5	Very low	97 Å²	97	111.5 Å²	111.5	60%	0.595	61%	0.609	S	S	*	*			trans	-79.5	89.1	169.2	41.3	0	0	0	0	107.7	T382 N386	T382-T384 VanDerWaalsContact C-N 3.26Å; T382-T384 PolarHBondContact O-N 3.44Å; T384-N386 PolarHBondContact O-N 3.27Å
385	E	37	Very low	34.6	Very low	79 Å²	79	116.6 Å²	116.6	37%	0.369	64%	0.636	S	S	.	*			trans	-60.1	73.6	-175.3	-63.5	-165.9	123.1	0	0	113.6	D383 S787 R1035	D383-E385 PolarHBondContact O-N 2.59Å; D383-E385 VanDerWaalsContact O-N 3.1Å; E385-S787 WeakPolarHBondContact OE1-CB 3.47Å; E385-S787 PolarHBondContact OE1-OG 3.23Å; E385-R1035 IonicContact OE1-NH1 2.89Å; E385-R1035 IonicContact OE1-NH2 3.14Å; E385-R1035 IonicContact OE2-CZ 3.65Å; E385-R1035 IonicContact OE2-NH1 3.92Å; E385-R1035 PolarHBondContact OE2-NH1 3.14Å; E385-R1035 IonicContact OE2-NH2 2.63Å; E385-R1035 PolarHBondContact OE2-NH2 3.02Å
386	N	38.6	Very low	33.9	Very low	49 Å²	49	121.4 Å²	121.4	26%	0.262	66%	0.661	S	S	.	*			trans	-142.1	62.7	-176.2	-148	2.3	0	0	0	109.4	T384 Y1185	T384-N386 PolarHBondContact O-N 3.27Å; N386-Y1185 HydrophobicContact CB-CE1 4.44Å; N386-Y1185 WeakPolarHBondContact ND2-CE1 3.38Å; N386-Y1185 PolarHBondContact ND2-OH 2.94Å; N386-Y1185 WeakPolarHBondContact OD1-CE1 3.12Å
387	D	34.9	Very low	33.7	Very low	72 Å²	72	118.9 Å²	118.9	39%	0.385	65%	0.653	S	S	.	*			trans	-116.1	21.5	-165.7	-81	-22.4	0	0	0	113.6	K390 Q836 K839	D387-K390 IonicContact OD1-NZ 2.64Å; D387-K390 PolarHBondContact OD1-NZ 3.01Å; D387-Q836 PolarHBondContact OD1-NE2 3.1Å; D387-K839 IonicContact OD1-NZ 2.87Å; D387-K839 IonicContact OD2-NZ 3.59Å; D387-K839 PolarHBondContact OD2-NZ 3.41Å
388	E	41.5	Very low	34.3	Very low	82 Å²	82	114 Å²	114	38%	0.383	63%	0.632	S	S	.	*	S	Bend	trans	-104.8	-12.4	169.7	-69.1	-175	-172.9	0	0	113	K786	E388-K786 WeakPolarHBondContact OE1-CE 3.31Å; E388-K786 IonicContact OE1-NZ 2.86Å; E388-K786 PolarHBondContact OE1-NZ 2.96Å
389	D	43.6	Very low	35.2	Very low	46 Å²	46	109.7 Å²	109.7	25%	0.246	60%	0.595	C	S	.	*			trans	-144.3	82.9	-177	-58.9	-71.9	0	0	0	112.6	R994 K1095	D389-R994 VanDerWaalsContact CG-NE 3.29Å; D389-R994 IonicContact OD1-CZ 2.77Å; D389-R994 IonicContact OD1-NE 3.84Å; D389-R994 PolarHBondContact OD1-NE 3.47Å; D389-R994 IonicContact OD1-NH2 3.55Å; D389-R994 PolarHBondContact OD1-NH2 3.25Å; D389-R994 IonicContact OD2-CZ 3.41Å; D389-R994 IonicContact OD2-NE 2.92Å; D389-R994 PolarHBondContact OD2-NE 3.13Å; D389-R994 IonicContact OD2-NH2 1.93Å; D389-R994 PolarHBondContact OD2-NH2 3.34Å; D389-K1095 IonicContact OD2-NZ 2.69Å; D389-K1095 PolarHBondContact OD2-NZ 2.66Å
390	K	31.2	Very low	36	Very low	135 Å²	135	103.7 Å²	103.7	59%	0.587	57%	0.567	S	S	*	*			trans	-126.1	51.9	174	-91.5	-180	-174.5	153.8	0	113.5	D387	D387-K390 IonicContact OD1-NZ 2.64Å; D387-K390 PolarHBondContact OD1-NZ 3.01Å
391	D	34.9	Very low	36.8	Very low	154 Å²	154	104.9 Å²	104.9	82%	0.824	56%	0.56	S	S	*	*			trans	-63.8	135.6	172.1	-82	-39.8	0	0	0	112.7	C393	D391-C393 PolarHBondContact O-N 2.75Å
392	Q	32.2	Very low	38.3	Very low	200 Å²	200	98.7 Å²	98.7	94%	0.935	53%	0.533	S	S	*	.			trans	-84.1	95.9	178.7	-66	-174.8	12.7	0	0	111.1
393	C	28.1	Very low	39.9	Very low	110 Å²	110	95.5 Å²	95.5	74%	0.743	51%	0.511	S	S	*	.			trans	-120.2	157.8	164.6	-158.3	0	0	0	0	111.7	D391	D391-C393 PolarHBondContact O-N 2.75Å
394	S	27.5	Very low	41.3	Very low	91 Å²	91	94.4 Å²	94.4	64%	0.636	51%	0.505	S	S	*	.			trans	-66.7	160.6	-156.2	48.5	0	0	0	0	116.8
395	L	32.2	Very low	42.9	Very low	158 Å²	158	92.5 Å²	92.5	83%	0.827	49%	0.489	S	S	*	.	S	Bend	trans	-57.4	150	-179.4	-67	118.2	0	0	0	114.3
396	N	30.5	Very low	44.2	Very low	156 Å²	156	88.9 Å²	88.9	83%	0.834	47%	0.471	S	S	*	.	S	Bend	trans	71.6	43.9	163.3	-54.9	-14.8	0	0	0	117.5
397	D	39.1	Very low	45.5	Very low	106 Å²	106	90.5 Å²	90.5	57%	0.567	48%	0.478	S	S	*	.			trans	-134.7	30.1	-180	-133.9	-5.4	0	0	0	114.3	K405	D397-K405 VanDerWaalsContact CG-NZ 3.27Å; D397-K405 PolarHBondContact O-NZ 3.19Å; D397-K405 IonicContact OD1-NZ 2.72Å; D397-K405 PolarHBondContact OD1-NZ 3.14Å; D397-K405 IonicContact OD2-NZ 3.23Å
398	D	51.7	Low	46.9	Very low	39 Å²	39	89.7 Å²	89.7	21%	0.209	48%	0.476	C	S	.	.			trans	-77.8	126.5	-165.3	-152.3	-48.8	0	0	0	115.6	E400 T401 D402 R1093	D398-E400 VanDerWaalsContact C-N 3.26Å; D398-E400 PolarHBondContact O-N 2.98Å; D398-E400 WeakPolarHBondContact OD1-CB 3.47Å; D398-E400 PolarHBondContact OD1-N 3.06Å; D398-T401 HydrophobicContact CB-CG2 4.32Å; D398-T401 PolarHBondContact O-N 3.16Å; D398-T401 VanDerWaalsContact O-N 3.07Å; D398-T401 PolarHBondContact O-OG1 3.27Å; D398-D402 PolarHBondContact O-N 2.69Å; D398-R1093 WeakPolarHBondContact OD1-CD 3.38Å; D398-R1093 WeakPolarHBondContact OD2-CD 3.31Å; D398-R1093 IonicContact OD2-CZ 3.49Å; D398-R1093 IonicContact OD2-NE 3.28Å; D398-R1093 IonicContact OD2-NH1 3.46Å; D398-R1093 PolarHBondContact OD2-NH1 3.29Å
399	I	54	Low	48.1	Very low	3 Å²	3	91.3 Å²	91.3	2%	0.015	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.7	175.3	-169.1	167.4	0	0	0	113.5	T401 K405 L406 R1093 E1096	I399-T401 PolarHBondContact O-N 2.82Å; I399-K405 HydrophobicContact CD1-CB 4.42Å; I399-K405 HydrophobicContact CG1-CB 3.93Å; I399-L406 HydrophobicContact CD1-CD2 4.02Å; I399-L406 HydrophobicContact CG1-CD2 3.77Å; I399-L406 HydrophobicContact CG1-CG 4.03Å; I399-R1093 HydrophobicContact CG2-CB 3.7Å; I399-R1093 HydrophobicContact CG2-CG 3.92Å; I399-E1096 HydrophobicContact CD1-CB 4.23Å
400	E	51.4	Low	49.1	Very low	78 Å²	78	99 Å²	99	36%	0.364	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.8	176.3	-64.8	176.6	-162.2	0	0	111.5	D398 I1055 R1093	D398-E400 VanDerWaalsContact C-N 3.26Å; D398-E400 PolarHBondContact O-N 2.98Å; D398-E400 WeakPolarHBondContact OD1-CB 3.47Å; D398-E400 PolarHBondContact OD1-N 3.06Å; E400-I1055 WeakPolarHBondContact O-CD1 3.41Å; E400-R1093 PolarHBondContact OE1-N 3.05Å
401	T	49.1	Very low	50.8	Low	98 Å²	98	97.6 Å²	97.6	60%	0.601	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-31.5	178	67.8	0	0	0	0	114.6	D398 I399 L403	D398-T401 HydrophobicContact CB-CG2 4.32Å; D398-T401 PolarHBondContact O-N 3.16Å; D398-T401 VanDerWaalsContact O-N 3.07Å; D398-T401 PolarHBondContact O-OG1 3.27Å; I399-T401 PolarHBondContact O-N 2.82Å; T401-L403 PolarHBondContact O-N 3.34Å
402	D	59.1	Low	52.4	Low	54 Å²	54	92 Å²	92	29%	0.289	48%	0.481	S	S	.	.			trans	-96.8	93.2	178.5	-173.7	6.8	0	0	0	112.1	D398 N404 K405	D398-D402 PolarHBondContact O-N 2.69Å; D402-N404 PolarHBondContact O-N 2.71Å; D402-N404 VanDerWaalsContact OD1-CB 3.27Å; D402-N404 WeakPolarHBondContact OD1-CB 3.35Å; D402-N404 PolarHBondContact OD1-N 3.2Å; D402-N404 PolarHBondContact OD1-ND2 3.04Å; D402-K405 HydrophobicContact CB-CD 4.07Å; D402-K405 HydrophobicContact CB-CG 4.09Å; D402-K405 WeakPolarHBondContact O-CB 3.49Å; D402-K405 PolarHBondContact O-N 2.89Å; D402-K405 VanDerWaalsContact OD2-CE 3.31Å; D402-K405 WeakPolarHBondContact OD2-CE 3.32Å; D402-K405 WeakPolarHBondContact OD2-CG 3.36Å
403	L	61.2	Low	54.3	Low	52 Å²	52	85 Å²	85	27%	0.272	46%	0.464	S	S	.	.	H	α-helix	trans	-52.5	-25.8	176	-58.5	-177.3	0	0	0	113.6	T401 K405 L406 H407 V1050 A1057	T401-L403 PolarHBondContact O-N 3.34Å; L403-K405 VanDerWaalsContact C-N 3.26Å; L403-K405 PolarHBondContact O-N 2.82Å; L403-L406 HydrophobicContact CD2-CD1 4.41Å; L403-L406 PolarHBondContact O-N 3.21Å; L403-H407 PolarHBondContact O-CD2 3.04Å; L403-H407 PolarHBondContact O-N 3.22Å; L403-V1050 HydrophobicContact CD2-CB 4.48Å; L403-V1050 HydrophobicContact CD2-CG1 4.22Å; L403-V1050 HydrophobicContact CD2-CG2 3.4Å; L403-V1050 VanDerWaalsContact CD2-CG2 3.4Å; L403-A1057 HydrophobicContact CD1-CB 4.45Å
404	N	60.8	Low	57.1	Low	124 Å²	124	81.8 Å²	81.8	66%	0.663	44%	0.436	S	S	*	.	H	α-helix	trans	-69.1	-25.5	178.9	-54.8	-80	0	0	0	112.2	D402	D402-N404 PolarHBondContact O-N 2.71Å; D402-N404 VanDerWaalsContact OD1-CB 3.27Å; D402-N404 WeakPolarHBondContact OD1-CB 3.35Å; D402-N404 PolarHBondContact OD1-N 3.2Å; D402-N404 PolarHBondContact OD1-ND2 3.04Å
405	K	62.3	Low	60	Low	57 Å²	57	80.4 Å²	80.4	25%	0.248	43%	0.425	C	S	.	.	H	α-helix	trans	-79.8	-23.4	176	-61.7	-177.5	-171.8	-166.5	0	113.3	D397 I399 D402 L403 R1105	D397-K405 VanDerWaalsContact CG-NZ 3.27Å; D397-K405 PolarHBondContact O-NZ 3.19Å; D397-K405 IonicContact OD1-NZ 2.72Å; D397-K405 PolarHBondContact OD1-NZ 3.14Å; D397-K405 IonicContact OD2-NZ 3.23Å; I399-K405 HydrophobicContact CD1-CB 4.42Å; I399-K405 HydrophobicContact CG1-CB 3.93Å; D402-K405 HydrophobicContact CB-CD 4.07Å; D402-K405 HydrophobicContact CB-CG 4.09Å; D402-K405 WeakPolarHBondContact O-CB 3.49Å; D402-K405 PolarHBondContact O-N 2.89Å; D402-K405 VanDerWaalsContact OD2-CE 3.31Å; D402-K405 WeakPolarHBondContact OD2-CE 3.32Å; D402-K405 WeakPolarHBondContact OD2-CG 3.36Å; L403-K405 VanDerWaalsContact C-N 3.26Å; L403-K405 PolarHBondContact O-N 2.82Å; K405-R1105 WeakPolarHBondContact O-CD 3.4Å
406	L	64.1	Low	62.7	Low	2 Å²	2	75.4 Å²	75.4	1%	0.01	40%	0.396	C	S	.	.	H	α-helix	trans	-79.2	-20.9	173.4	-70.6	173.4	0	0	0	112.7	I399 L403 V1046 T1049 V1050 V1091 W1104	I399-L406 HydrophobicContact CD1-CD2 4.02Å; I399-L406 HydrophobicContact CG1-CD2 3.77Å; I399-L406 HydrophobicContact CG1-CG 4.03Å; L403-L406 HydrophobicContact CD2-CD1 4.41Å; L403-L406 PolarHBondContact O-N 3.21Å; L406-V1046 HydrophobicContact CB-CG1 4.32Å; L406-T1049 HydrophobicContact CD1-CG2 4.01Å; L406-T1049 HydrophobicContact CD2-CG2 4.05Å; L406-V1050 HydrophobicContact CD1-CG2 3.94Å; L406-V1091 HydrophobicContact CD2-CB 4.2Å; L406-V1091 HydrophobicContact CD2-CG1 4.23Å; L406-W1104 WeakPolarHBondContact O-CH2 3.43Å; L406-W1104 WeakPolarHBondContact O-CZ3 3.48Å
407	H	66	Low	65.6	Low	84 Å²	84	74.6 Å²	74.6	39%	0.389	39%	0.388	S	S	.	.	S	Bend	trans	-75.1	134.2	177	-78.7	-60.2	0	0	0	112	L403 N409	L403-H407 PolarHBondContact O-CD2 3.04Å; L403-H407 PolarHBondContact O-N 3.22Å; H407-N409 PolarHBondContact O-N 3.49Å
408	P	65.4	Low	68	Low	55 Å²	55	74.3 Å²	74.3	36%	0.357	38%	0.383	S	S	.	.			trans	-62.7	90.1	176.7	-27.6	37.1	0	0	0	113.8	R410 W1104 R1105	P408-R410 PolarHBondContact O-N 3.5Å; P408-W1104 HydrophobicContact CG-CD2 4.34Å; P408-W1104 HydrophobicContact CG-CZ2 4.17Å; P408-R1105 CarbonylContact C-O 3.57Å; P408-R1105 VanDerWaalsContact CA-O 3.28Å; P408-R1105 WeakPolarHBondContact CA-O 3.42Å
409	N	66.2	Low	70.1	Confident	116 Å²	116	72.4 Å²	72.4	62%	0.62	37%	0.373	S	S	*	.			trans	-80.9	107.9	176.3	-167.7	-1.6	0	0	0	109.2	H407 N411 R1105	H407-N409 PolarHBondContact O-N 3.49Å; N409-N411 PolarHBondContact O-N 3.35Å; N409-R1105 PolarHBondContact N-O 3.3Å
410	R	64.1	Low	71.9	Confident	206 Å²	206	77.7 Å²	77.7	78%	0.777	40%	0.396	S	S	*	.			trans	-72.6	41	-175	-62.4	-175.7	178.3	-175.3	-1.4	114.1	P408 I412	P408-R410 PolarHBondContact O-N 3.5Å; R410-I412 PolarHBondContact O-N 2.8Å
411	N	66.9	Low	73.9	Confident	107 Å²	107	79.5 Å²	79.5	57%	0.572	41%	0.408	S	S	*	.			trans	-76.3	101.7	167.2	-173.2	5.3	0	0	0	108.3	N409 G413	N409-N411 PolarHBondContact O-N 3.35Å; N411-G413 PolarHBondContact O-N 3.26Å; N411-G413 VanDerWaalsContact O-N 3.13Å; N411-G413 WeakPolarHBondContact OD1-CA 3.28Å; N411-G413 PolarHBondContact OD1-N 3.46Å
412	I	68.3	Low	76.1	Confident	35 Å²	35	75.9 Å²	75.9	18%	0.179	38%	0.383	C	S	.	.			trans	-64.2	-14.9	177	-61.7	177.3	0	0	0	110.9	R410 R414 L419 Q1015 A1018 Y1019	R410-I412 PolarHBondContact O-N 2.8Å; I412-R414 PolarHBondContact O-N 3.39Å; I412-L419 HydrophobicContact CG2-CD1 3.84Å; I412-Q1015 HydrophobicContact CG2-CB 3.74Å; I412-Q1015 HydrophobicContact CG2-CG 4Å; I412-Q1015 PolarHBondContact O-NE2 3.36Å; I412-A1018 HydrophobicContact CD1-CB 4.13Å; I412-A1018 HydrophobicContact CG1-CB 4.46Å; I412-Y1019 HydrophobicContact CD1-CD2 4.3Å
413	G	71.9	Confident	77.9	Confident	55 Å²	55	77.9 Å²	77.9	57%	0.567	39%	0.391	S	S	*	.			trans	82	-38.4	167.9	0	0	0	0	0	114.5	N411	N411-G413 PolarHBondContact O-N 3.26Å; N411-G413 VanDerWaalsContact O-N 3.13Å; N411-G413 WeakPolarHBondContact OD1-CA 3.28Å; N411-G413 PolarHBondContact OD1-N 3.46Å
414	R	86.5	Confident	79.5	Confident	42 Å²	42	81.9 Å²	81.9	16%	0.158	41%	0.406	C	S	.	.	S	Bend	trans	-112.2	147.5	178.5	-62.1	-171.7	-164.6	162.3	6.9	112.3	I412 E418 L419 Y1008 S1012	I412-R414 PolarHBondContact O-N 3.39Å; R414-E418 WeakPolarHBondContact CD-OE2 3.48Å; R414-L419 HydrophobicContact CB-CD1 4.35Å; R414-L419 HydrophobicContact CB-CD2 4.35Å; R414-L419 HydrophobicContact CB-CG 4.22Å; R414-Y1008 VanDerWaalsContact CZ-CE2 3.47Å; R414-Y1008 VanDerWaalsContact CZ-CZ 3.44Å; R414-Y1008 PolarHBondContact NH1-OH 2.94Å; R414-S1012 PolarHBondContact NH1-OG 3.45Å
415	P	89.3	Confident	81.2	Confident	61 Å²	61	76.4 Å²	76.4	40%	0.396	38%	0.376	S	S	.	.			trans	-67	160.8	174.7	30.5	-36.5	0	0	0	111.8	E417 E418 L419	P415-E417 PolarHBondContact O-N 3.06Å; P415-E418 VanDerWaalsContact CD-OE1 3.3Å; P415-E418 WeakPolarHBondContact CD-OE1 3.32Å; P415-E418 HydrophobicContact CG-CB 4.31Å; P415-E418 HydrophobicContact CG-CG 3.88Å; P415-E418 WeakPolarHBondContact CG-OE1 3.5Å; P415-E418 PolarHBondContact O-N 3.07Å; P415-L419 WeakPolarHBondContact O-CG 3.39Å; P415-L419 PolarHBondContact O-N 3.39Å
416	F	89.2	Confident	82.9	Confident	53 Å²	53	73.8 Å²	73.8	23%	0.232	37%	0.365	C	S	.	.	H	α-helix	trans	-65	-32.2	-179.9	179.5	-119.6	0	0	0	112.3	E418 L419 K420 Y1016 Y1019	F416-E418 VanDerWaalsContact C-N 3.31Å; F416-E418 PolarHBondContact O-N 3.28Å; F416-L419 CarbonylContact O-C 3.55Å; F416-L419 PolarHBondContact O-N 3.24Å; F416-L419 VanDerWaalsContact O-N 3.09Å; F416-K420 HydrophobicContact CZ-CG 4.49Å; F416-K420 WeakPolarHBondContact O-CB 3.32Å; F416-K420 PolarHBondContact O-N 3.33Å; F416-Y1016 HydrophobicContact CE2-CD2 4.46Å; F416-Y1016 HydrophobicContact CE2-CE2 4.06Å; F416-Y1019 HydrophobicContact CB-CD1 4.48Å; F416-Y1019 HydrophobicContact CB-CD2 4.34Å; F416-Y1019 HydrophobicContact CB-CE1 3.93Å; F416-Y1019 HydrophobicContact CB-CE2 3.77Å; F416-Y1019 HydrophobicContact CD1-CE1 4.21Å; F416-Y1019 AromaticContact CD2-CD1 3.24Å; F416-Y1019 HydrophobicContact CD2-CD1 3.24Å; F416-Y1019 HydrophobicContact CD2-CD2 4.33Å; F416-Y1019 AromaticContact CD2-CE1 3.19Å; F416-Y1019 HydrophobicContact CD2-CE1 3.19Å; F416-Y1019 HydrophobicContact CD2-CE2 4.31Å; F416-Y1019 AromaticContact CD2-CG 3.84Å; F416-Y1019 HydrophobicContact CD2-CG 3.84Å; F416-Y1019 AromaticContact CD2-CZ 3.77Å; F416-Y1019 AromaticContact CE2-CD1 3.61Å; F416-Y1019 HydrophobicContact CE2-CD1 3.61Å; F416-Y1019 AromaticContact CE2-CE1 3.67Å; F416-Y1019 HydrophobicContact CE2-CE1 3.67Å; F416-Y1019 HydrophobicContact CG-CD1 4.02Å; F416-Y1019 AromaticContact CG-CE1 3.5Å; F416-Y1019 HydrophobicContact CG-CE1 3.5Å; F416-Y1019 VanDerWaalsContact CG-CE1 3.5Å; F416-Y1019 HydrophobicContact CG-CE2 4.28Å; F416-Y1019 AromaticContact CG-CZ 3.65Å; F416-Y1019 HydrophobicContact CZ-CE1 4.36Å
417	E	90.5	Very high	84.2	Confident	140 Å²	140	74.8 Å²	74.8	65%	0.654	37%	0.372	S	S	*	.	H	α-helix	trans	-59	-40.3	-178.1	-71	61	-142.1	0	0	111.9	P415	P415-E417 PolarHBondContact O-N 3.06Å
418	E	90.4	Very high	85.5	Confident	99 Å²	99	70.8 Å²	70.8	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-74	-36.6	173	-70.3	168.5	-146.5	0	0	112.5	R414 P415 F416 K420	R414-E418 WeakPolarHBondContact CD-OE2 3.48Å; P415-E418 VanDerWaalsContact CD-OE1 3.3Å; P415-E418 WeakPolarHBondContact CD-OE1 3.32Å; P415-E418 HydrophobicContact CG-CB 4.31Å; P415-E418 HydrophobicContact CG-CG 3.88Å; P415-E418 WeakPolarHBondContact CG-OE1 3.5Å; P415-E418 PolarHBondContact O-N 3.07Å; F416-E418 VanDerWaalsContact C-N 3.31Å; F416-E418 PolarHBondContact O-N 3.28Å; E418-K420 VanDerWaalsContact C-N 3.31Å
419	L	94.6	Very high	86.8	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-77.2	-18.6	-178.4	-64.8	173.6	0	0	0	112.7	I412 R414 P415 F416 D421 Y422 Q1015 Y1016	I412-L419 HydrophobicContact CG2-CD1 3.84Å; R414-L419 HydrophobicContact CB-CD1 4.35Å; R414-L419 HydrophobicContact CB-CD2 4.35Å; R414-L419 HydrophobicContact CB-CG 4.22Å; P415-L419 WeakPolarHBondContact O-CG 3.39Å; P415-L419 PolarHBondContact O-N 3.39Å; F416-L419 CarbonylContact O-C 3.55Å; F416-L419 PolarHBondContact O-N 3.24Å; F416-L419 VanDerWaalsContact O-N 3.09Å; L419-D421 VanDerWaalsContact C-N 3.28Å; L419-D421 PolarHBondContact O-N 2.76Å; L419-Y422 WeakPolarHBondContact O-CB 3.38Å; L419-Y422 WeakPolarHBondContact O-CD2 3.34Å; L419-Y422 PolarHBondContact O-N 3.28Å; L419-Y422 VanDerWaalsContact O-N 3.1Å; L419-Q1015 HydrophobicContact CD1-CB 3.86Å; L419-Q1015 HydrophobicContact CD2-CB 3.67Å; L419-Q1015 HydrophobicContact CG-CB 4.45Å; L419-Y1016 HydrophobicContact CB-CD2 4.27Å; L419-Y1016 WeakPolarHBondContact O-CD2 3.28Å
420	K	93.6	Very high	87.9	Confident	114 Å²	114	68 Å²	68	50%	0.496	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58.9	-36.6	-175.7	-173.6	-177.9	175.3	-169.8	0	112.9	F416 E418 Y422 Q423	F416-K420 HydrophobicContact CZ-CG 4.49Å; F416-K420 WeakPolarHBondContact O-CB 3.32Å; F416-K420 PolarHBondContact O-N 3.33Å; E418-K420 VanDerWaalsContact C-N 3.31Å; K420-Y422 PolarHBondContact O-N 2.8Å; K420-Q423 WeakPolarHBondContact O-CB 3.42Å; K420-Q423 PolarHBondContact O-N 2.82Å
421	D	92.8	Very high	88.9	Confident	116 Å²	116	60.1 Å²	60.1	62%	0.62	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-66.7	-17.2	-179.2	-73.5	-10.5	0	0	0	113.2	L419 Q423 K424	L419-D421 VanDerWaalsContact C-N 3.28Å; L419-D421 PolarHBondContact O-N 2.76Å; D421-Q423 VanDerWaalsContact C-N 3.26Å; D421-Q423 PolarHBondContact O-N 2.72Å; D421-K424 VanDerWaalsContact O-CD 3.29Å; D421-K424 WeakPolarHBondContact O-CD 3.39Å; D421-K424 VanDerWaalsContact O-CG 3.25Å; D421-K424 WeakPolarHBondContact O-CG 3.37Å
422	Y	96.1	Very high	89.5	Confident	21 Å²	21	59 Å²	59	8%	0.082	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-76.7	-11.1	173.4	-62.6	-93.3	0	0	0	112.9	L419 K420 K424 F425 F426 H1009 S1012 L1013	L419-Y422 WeakPolarHBondContact O-CB 3.38Å; L419-Y422 WeakPolarHBondContact O-CD2 3.34Å; L419-Y422 PolarHBondContact O-N 3.28Å; L419-Y422 VanDerWaalsContact O-N 3.1Å; K420-Y422 PolarHBondContact O-N 2.8Å; Y422-K424 PolarHBondContact O-N 2.72Å; Y422-K424 VanDerWaalsContact O-N 3.11Å; Y422-F425 AromaticContact CD1-CD2 3.86Å; Y422-F425 HydrophobicContact CD1-CD2 3.86Å; Y422-F425 AromaticContact CD1-CE2 3.78Å; Y422-F425 HydrophobicContact CD1-CE2 3.78Å; Y422-F425 HydrophobicContact CE1-CE2 4.27Å; Y422-F425 HydrophobicContact CG-CD2 4.44Å; Y422-F425 WeakPolarHBondContact O-CB 3.33Å; Y422-F425 PolarHBondContact O-N 3.32Å; Y422-F426 VanDerWaalsContact O-CD2 3.27Å; Y422-F426 WeakPolarHBondContact O-CD2 3.44Å; Y422-H1009 HydrophobicContact CE1-CB 4.27Å; Y422-H1009 AromaticContact CE1-ND1 3.69Å; Y422-H1009 AromaticContact CZ-ND1 3.65Å; Y422-H1009 PolarHBondContact OH-CE1 3.22Å; Y422-H1009 PolarHBondContact OH-ND1 3.38Å; Y422-S1012 WeakPolarHBondContact OH-CB 3.3Å; Y422-S1012 PolarHBondContact OH-OG 3.39Å; Y422-L1013 HydrophobicContact CD1-CD2 4.05Å; Y422-L1013 HydrophobicContact CD1-CG 4.34Å
423	Q	95.8	Very high	90.3	Very high	97 Å²	97	57.3 Å²	57.3	45%	0.453	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-53.6	-30.9	171.8	-177.1	170.6	-3.1	0	0	112.3	K420 D421 F425 F426 Y1016	K420-Q423 WeakPolarHBondContact O-CB 3.42Å; K420-Q423 PolarHBondContact O-N 2.82Å; D421-Q423 VanDerWaalsContact C-N 3.26Å; D421-Q423 PolarHBondContact O-N 2.72Å; Q423-F425 PolarHBondContact O-N 3.09Å; Q423-F425 VanDerWaalsContact O-N 3.14Å; Q423-F426 PolarHBondContact O-N 3.11Å; Q423-Y1016 HydrophobicContact CB-CE2 4.13Å; Q423-Y1016 WeakPolarHBondContact CB-OH 3.49Å; Q423-Y1016 WeakPolarHBondContact CG-OH 3.37Å
424	K	95.2	Very high	90.3	Very high	136 Å²	136	61.6 Å²	61.6	59%	0.591	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-60.2	-20.6	176.7	77.7	-167.4	176.4	-176.4	0	113.9	D421 Y422 R888	D421-K424 VanDerWaalsContact O-CD 3.29Å; D421-K424 WeakPolarHBondContact O-CD 3.39Å; D421-K424 VanDerWaalsContact O-CG 3.25Å; D421-K424 WeakPolarHBondContact O-CG 3.37Å; Y422-K424 PolarHBondContact O-N 2.72Å; Y422-K424 VanDerWaalsContact O-N 3.11Å; K424-R888 PolarHBondContact O-NH1 3.25Å; K424-R888 PolarHBondContact O-NH2 3.48Å
425	F	96.9	Very high	89.5	Confident	8 Å²	8	63.5 Å²	63.5	4%	0.035	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-89.6	-2.7	178.5	-61.2	-61.5	0	0	0	113.6	Y422 Q423 R888 D890 V891 L892 L903 K968 L1013	Y422-F425 AromaticContact CD1-CD2 3.86Å; Y422-F425 HydrophobicContact CD1-CD2 3.86Å; Y422-F425 AromaticContact CD1-CE2 3.78Å; Y422-F425 HydrophobicContact CD1-CE2 3.78Å; Y422-F425 HydrophobicContact CE1-CE2 4.27Å; Y422-F425 HydrophobicContact CG-CD2 4.44Å; Y422-F425 WeakPolarHBondContact O-CB 3.33Å; Y422-F425 PolarHBondContact O-N 3.32Å; Q423-F425 PolarHBondContact O-N 3.09Å; Q423-F425 VanDerWaalsContact O-N 3.14Å; F425-R888 PolarHBondContact O-NH1 3.15Å; F425-D890 HydrophobicContact CD1-CB 3.83Å; F425-D890 HydrophobicContact CE1-CB 4.07Å; F425-V891 WeakPolarHBondContact CE1-O 3.5Å; F425-L892 HydrophobicContact CE2-CD1 4.14Å; F425-L892 HydrophobicContact CZ-CD1 4.19Å; F425-L903 HydrophobicContact CB-CD2 4.05Å; F425-L903 HydrophobicContact CD1-CD2 3.75Å; F425-L903 HydrophobicContact CE1-CD2 4.33Å; F425-L903 HydrophobicContact CG-CD2 3.96Å; F425-K968 PolarHBondContact O-NZ 3.25Å; F425-L1013 HydrophobicContact CB-CD2 3.71Å; F425-L1013 HydrophobicContact CD2-CD2 3.59Å; F425-L1013 HydrophobicContact CE2-CD2 4.45Å; F425-L1013 HydrophobicContact CG-CD2 3.9Å
426	F	96.4	Very high	88.7	Confident	3 Å²	3	64.8 Å²	64.8	1%	0.013	33%	0.334	C	S	.	.			trans	-122.1	45.3	-176.5	-59.2	-76.5	0	0	0	111.9	Y422 Q423 E428 L429 F926 K968 L1013 Y1016 L1017	Y422-F426 VanDerWaalsContact O-CD2 3.27Å; Y422-F426 WeakPolarHBondContact O-CD2 3.44Å; Q423-F426 PolarHBondContact O-N 3.11Å; F426-E428 WeakPolarHBondContact CA-OE2 3.49Å; F426-E428 PolarHBondContact O-N 3.47Å; F426-L429 HydrophobicContact CB-CD1 4Å; F426-L429 HydrophobicContact CB-CG 4.22Å; F426-L429 WeakPolarHBondContact O-CB 3.39Å; F426-L429 PolarHBondContact O-N 3.24Å; F426-F926 HydrophobicContact CD1-CE1 4.13Å; F426-F926 AromaticContact CD1-CZ 3.98Å; F426-F926 HydrophobicContact CD1-CZ 3.98Å; F426-F926 HydrophobicContact CE1-CE1 4.3Å; F426-F926 HydrophobicContact CE1-CZ 4.43Å; F426-K968 HydrophobicContact CE1-CD 4.25Å; F426-K968 HydrophobicContact CE1-CG 4.45Å; F426-L1013 HydrophobicContact CE2-CD2 3.69Å; F426-L1013 HydrophobicContact CZ-CB 4.2Å; F426-L1013 HydrophobicContact CZ-CD2 3.7Å; F426-Y1016 AromaticContact CD2-CD1 3.51Å; F426-Y1016 HydrophobicContact CD2-CD1 3.51Å; F426-Y1016 AromaticContact CD2-CE1 3.52Å; F426-Y1016 HydrophobicContact CD2-CE1 3.52Å; F426-Y1016 AromaticContact CE2-CD1 3.42Å; F426-Y1016 HydrophobicContact CE2-CD1 3.42Å; F426-Y1016 VanDerWaalsContact CE2-CD1 3.42Å; F426-Y1016 AromaticContact CE2-CE1 3.96Å; F426-Y1016 HydrophobicContact CE2-CE1 3.96Å; F426-Y1016 HydrophobicContact CE2-CG 4.34Å; F426-Y1016 HydrophobicContact CG-CE1 4.28Å; F426-Y1016 HydrophobicContact CZ-CD1 4.35Å; F426-L1017 HydrophobicContact CD1-CD2 4.05Å; F426-L1017 HydrophobicContact CE1-CD1 3.9Å; F426-L1017 HydrophobicContact CE1-CD2 3.62Å; F426-L1017 HydrophobicContact CE1-CG 3.75Å; F426-L1017 HydrophobicContact CE2-CG 4.48Å; F426-L1017 HydrophobicContact CZ-CD1 4.01Å; F426-L1017 HydrophobicContact CZ-CD2 3.96Å; F426-L1017 HydrophobicContact CZ-CG 3.66Å
427	S	92.3	Very high	87.8	Confident	22 Å²	22	66.1 Å²	66.1	15%	0.154	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-51.2	-35.7	176.1	51.7	0	0	0	0	112.5	L429 S430 E431 Y886 R888	S427-L429 PolarHBondContact O-N 3.33Å; S427-S430 PolarHBondContact O-N 2.94Å; S427-S430 PolarHBondContact O-OG 3.43Å; S427-E431 WeakPolarHBondContact O-CB 3.28Å; S427-E431 PolarHBondContact O-N 3.36Å; S427-Y886 PolarHBondContact OG-OH 2.87Å; S427-R888 WeakPolarHBondContact OG-CD 3.48Å; S427-R888 PolarHBondContact OG-NE 3.02Å; S427-R888 PolarHBondContact OG-NH1 3.21Å; S427-R888 VanDerWaalsContact OG-NH1 3.08Å
428	E	93.1	Very high	86.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-56.6	-16.9	177.1	64.7	-89.1	-160.4	0	0	114.4	F426 Y886 T905 F921 R922 F926 I966	F426-E428 WeakPolarHBondContact CA-OE2 3.49Å; F426-E428 PolarHBondContact O-N 3.47Å; E428-Y886 HydrophobicContact CB-CE1 4.09Å; E428-T905 HydrophobicContact CB-CG2 4.45Å; E428-T905 HydrophobicContact CG-CG2 4.17Å; E428-T905 PolarHBondContact OE2-OG1 3.37Å; E428-F921 HydrophobicContact CB-CE1 3.8Å; E428-F921 HydrophobicContact CB-CZ 4.12Å; E428-F921 VanDerWaalsContact O-CE1 3.31Å; E428-F921 WeakPolarHBondContact O-CE1 3.48Å; E428-R922 WeakPolarHBondContact O-CG 3.41Å; E428-F926 HydrophobicContact CG-CZ 4.36Å; E428-F926 WeakPolarHBondContact OE1-CE1 3.39Å; E428-I966 HydrophobicContact CG-CD1 4.22Å; E428-I966 HydrophobicContact CG-CG2 4.26Å
429	L	92.3	Very high	85.3	Confident	36 Å²	36	63.4 Å²	63.4	19%	0.188	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-89.7	-19.2	176.5	-57.5	-176.2	0	0	0	113.6	F426 S427 R922 F926 I1020	F426-L429 HydrophobicContact CB-CD1 4Å; F426-L429 HydrophobicContact CB-CG 4.22Å; F426-L429 WeakPolarHBondContact O-CB 3.39Å; F426-L429 PolarHBondContact O-N 3.24Å; S427-L429 PolarHBondContact O-N 3.33Å; L429-R922 WeakPolarHBondContact O-CD 3.25Å; L429-R922 PolarHBondContact O-NE 3.48Å; L429-F926 HydrophobicContact CD1-CE2 4.36Å; L429-F926 HydrophobicContact CD1-CZ 4.34Å; L429-F926 HydrophobicContact CD2-CE2 4.13Å; L429-F926 HydrophobicContact CD2-CZ 4.08Å; L429-F926 HydrophobicContact CG-CZ 4.36Å; L429-I1020 HydrophobicContact CD1-CD1 3.56Å
430	S	89.4	Confident	83.6	Confident	76 Å²	76	66.6 Å²	66.6	53%	0.531	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-23	-174.4	57.3	0	0	0	0	114.6	S427 R922	S427-S430 PolarHBondContact O-N 2.94Å; S427-S430 PolarHBondContact O-OG 3.43Å; S430-R922 VanDerWaalsContact C-NH2 3.27Å; S430-R922 PolarHBondContact O-NH2 3.1Å
431	E	86.2	Confident	81.2	Confident	42 Å²	42	66 Å²	66	20%	0.196	37%	0.366	C	S	.	.			trans	-62.5	134.2	-173.6	-173.3	171.1	172.5	0	0	113.7	S427 F433 Y436 Y886 R922	S427-E431 WeakPolarHBondContact O-CB 3.28Å; S427-E431 PolarHBondContact O-N 3.36Å; E431-F433 HydrophobicContact CB-CE2 4.35Å; E431-F433 HydrophobicContact CB-CZ 4.22Å; E431-F433 HydrophobicContact CG-CD1 4.33Å; E431-F433 HydrophobicContact CG-CE1 4.12Å; E431-F433 HydrophobicContact CG-CE2 4.42Å; E431-F433 HydrophobicContact CG-CZ 4.15Å; E431-F433 WeakPolarHBondContact O-CD2 3.36Å; E431-F433 VanDerWaalsContact O-CE2 3.26Å; E431-F433 WeakPolarHBondContact O-CE2 3.33Å; E431-Y436 WeakPolarHBondContact OE1-CE2 3.48Å; E431-Y436 PolarHBondContact OE1-OH 3.4Å; E431-Y886 VanDerWaalsContact OE2-CE2 3.23Å; E431-Y886 WeakPolarHBondContact OE2-CE2 3.37Å; E431-Y886 PolarHBondContact OE2-OH 2.68Å; E431-R922 PolarHBondContact O-NH2 2.84Å
432	D	78.8	Confident	78.8	Confident	82 Å²	82	69.6 Å²	69.6	44%	0.439	38%	0.376	S	S	.	.			trans	-98.6	-5	-171.6	69	13	0	0	0	114.5	Q434	D432-Q434 HydrophobicContact CB-CG 4.42Å; D432-Q434 PolarHBondContact O-N 3.04Å; D432-Q434 VanDerWaalsContact O-N 3.13Å; D432-Q434 WeakPolarHBondContact OD1-CB 3.34Å; D432-Q434 WeakPolarHBondContact OD1-CG 3.45Å; D432-Q434 PolarHBondContact OD1-N 3.46Å; D432-Q434 PolarHBondContact OD2-NE2 2.87Å
433	F	84.9	Confident	75.8	Confident	1 Å²	1	74 Å²	74	0%	0.004	41%	0.41	C	S	.	.			trans	56	20.6	-179.7	-55.2	-81.2	0	0	0	115.5	E431 G435 Y436 F438 Y886 M909 P910 K913 I918 F921	E431-F433 HydrophobicContact CB-CE2 4.35Å; E431-F433 HydrophobicContact CB-CZ 4.22Å; E431-F433 HydrophobicContact CG-CD1 4.33Å; E431-F433 HydrophobicContact CG-CE1 4.12Å; E431-F433 HydrophobicContact CG-CE2 4.42Å; E431-F433 HydrophobicContact CG-CZ 4.15Å; E431-F433 WeakPolarHBondContact O-CD2 3.36Å; E431-F433 VanDerWaalsContact O-CE2 3.26Å; E431-F433 WeakPolarHBondContact O-CE2 3.33Å; F433-G435 VanDerWaalsContact C-N 3.28Å; F433-G435 PolarHBondContact O-N 2.98Å; F433-Y436 HydrophobicContact CB-CD2 4.06Å; F433-Y436 AromaticContact CD1-CD2 3.9Å; F433-Y436 HydrophobicContact CD1-CD2 3.9Å; F433-Y436 AromaticContact CD1-CE2 3.86Å; F433-Y436 HydrophobicContact CD1-CE2 3.86Å; F433-Y436 HydrophobicContact CG-CD2 4.49Å; F433-Y436 PolarHBondContact O-N 3.12Å; F433-F438 HydrophobicContact CB-CE2 4.17Å; F433-F438 HydrophobicContact CB-CZ 3.85Å; F433-F438 HydrophobicContact CG-CZ 4.47Å; F433-Y886 AromaticContact CE1-CD2 3.94Å; F433-Y886 HydrophobicContact CE1-CD2 3.94Å; F433-Y886 AromaticContact CE1-CE2 3.86Å; F433-Y886 HydrophobicContact CE1-CE2 3.86Å; F433-Y886 HydrophobicContact CZ-CE2 4.35Å; F433-M909 HydrophobicContact CD1-CE 3.85Å; F433-M909 HydrophobicContact CE1-CE 4.25Å; F433-M909 HydrophobicContact CE1-SD 4.4Å; F433-P910 HydrophobicContact CD1-CG 4.15Å; F433-P910 HydrophobicContact CD2-CG 3.9Å; F433-P910 HydrophobicContact CE1-CG 4.28Å; F433-P910 HydrophobicContact CE2-CG 4.05Å; F433-P910 HydrophobicContact CG-CG 3.96Å; F433-P910 HydrophobicContact CZ-CG 4.25Å; F433-K913 WeakPolarHBondContact O-CE 3.39Å; F433-I918 HydrophobicContact CD2-CD1 4.42Å; F433-I918 HydrophobicContact CD2-CG1 4.2Å; F433-F921 HydrophobicContact CE1-CZ 4.22Å; F433-F921 HydrophobicContact CE2-CD1 4.14Å; F433-F921 HydrophobicContact CE2-CE1 4.07Å; F433-F921 AromaticContact CZ-CD1 3.98Å; F433-F921 HydrophobicContact CZ-CD1 3.98Å; F433-F921 AromaticContact CZ-CE1 3.49Å; F433-F921 HydrophobicContact CZ-CE1 3.49Å; F433-F921 VanDerWaalsContact CZ-CE1 3.49Å; F433-F921 HydrophobicContact CZ-CE2 4.13Å; F433-F921 AromaticContact CZ-CZ 3.58Å; F433-F921 HydrophobicContact CZ-CZ 3.58Å
434	Q	73	Confident	72.8	Confident	144 Å²	144	73.9 Å²	73.9	67%	0.673	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.5	-177.1	-77.5	-169.4	71.2	0	0	112.9	D432 Y436 K913	D432-Q434 HydrophobicContact CB-CG 4.42Å; D432-Q434 PolarHBondContact O-N 3.04Å; D432-Q434 VanDerWaalsContact O-N 3.13Å; D432-Q434 WeakPolarHBondContact OD1-CB 3.34Å; D432-Q434 WeakPolarHBondContact OD1-CG 3.45Å; D432-Q434 PolarHBondContact OD1-N 3.46Å; D432-Q434 PolarHBondContact OD2-NE2 2.87Å; Q434-Y436 PolarHBondContact O-N 3.03Å; Q434-K913 PolarHBondContact O-NZ 3.19Å
435	G	68.3	Low	69.8	Low	82 Å²	82	72.5 Å²	72.5	85%	0.845	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.3	-177.8	0	0	0	0	0	117	F433	F433-G435 VanDerWaalsContact C-N 3.28Å; F433-G435 PolarHBondContact O-N 2.98Å
436	Y	73.1	Confident	66.6	Low	89 Å²	89	79.4 Å²	79.4	35%	0.349	48%	0.476	S	S	.	.			trans	-90.2	147.4	-175.3	-62.6	-101	0	0	0	112.2	E431 F433 Q434 M909 K913	E431-Y436 WeakPolarHBondContact OE1-CE2 3.48Å; E431-Y436 PolarHBondContact OE1-OH 3.4Å; F433-Y436 HydrophobicContact CB-CD2 4.06Å; F433-Y436 AromaticContact CD1-CD2 3.9Å; F433-Y436 HydrophobicContact CD1-CD2 3.9Å; F433-Y436 AromaticContact CD1-CE2 3.86Å; F433-Y436 HydrophobicContact CD1-CE2 3.86Å; F433-Y436 HydrophobicContact CG-CD2 4.49Å; F433-Y436 PolarHBondContact O-N 3.12Å; Q434-Y436 PolarHBondContact O-N 3.03Å; Y436-M909 HydrophobicContact CD1-CE 3.37Å; Y436-M909 HydrophobicContact CD1-SD 4.47Å; Y436-M909 HydrophobicContact CD2-CE 4.28Å; Y436-M909 HydrophobicContact CE1-CE 3.76Å; Y436-M909 HydrophobicContact CE1-SD 4.35Å; Y436-M909 HydrophobicContact CG-CE 3.66Å; Y436-K913 WeakPolarHBondContact O-CE 3.3Å; Y436-K913 PolarHBondContact O-NZ 3.04Å
437	S	70.1	Confident	63.5	Low	81 Å²	81	85.7 Å²	85.7	57%	0.566	52%	0.515	S	S	*	.			trans	-86.8	146.7	162.3	170.9	0	0	0	0	110.3	D439	S437-D439 PolarHBondContact OG-N 2.91Å; S437-D439 PolarHBondContact OG-OD2 3.3Å
438	F	69.4	Low	60.4	Low	35 Å²	35	89.7 Å²	89.7	15%	0.154	54%	0.543	C	S	.	.			trans	-123.2	23.5	-177.6	-73.5	-110.7	0	0	0	111.2	F433 F440 P910 S912 K913	F433-F438 HydrophobicContact CB-CE2 4.17Å; F433-F438 HydrophobicContact CB-CZ 3.85Å; F433-F438 HydrophobicContact CG-CZ 4.47Å; F438-F440 HydrophobicContact CB-CD2 4.44Å; F438-F440 HydrophobicContact CB-CE2 4.16Å; F438-F440 AromaticContact CD1-CE2 3.87Å; F438-F440 HydrophobicContact CD1-CE2 3.87Å; F438-F440 HydrophobicContact CG-CE2 4.29Å; F438-F440 WeakPolarHBondContact O-CD2 3.37Å; F438-F440 PolarHBondContact O-N 2.93Å; F438-P910 HydrophobicContact CE1-CB 4.36Å; F438-P910 HydrophobicContact CE1-CG 3.92Å; F438-P910 WeakPolarHBondContact CE1-O 3.42Å; F438-P910 HydrophobicContact CZ-CG 4.04Å; F438-S912 VanDerWaalsContact CD1-CA 3.42Å; F438-K913 HydrophobicContact CD2-CD 4.23Å; F438-K913 HydrophobicContact CD2-CG 3.78Å; F438-K913 HydrophobicContact CE1-CG 4.34Å; F438-K913 HydrophobicContact CE2-CD 4.01Å; F438-K913 HydrophobicContact CE2-CG 3.43Å; F438-K913 VanDerWaalsContact CE2-CG 3.43Å; F438-K913 HydrophobicContact CG-CG 4.39Å; F438-K913 HydrophobicContact CZ-CG 3.74Å
439	D	59.4	Low	57.7	Low	146 Å²	146	95 Å²	95	78%	0.781	58%	0.577	S	S	*	*			trans	-75.1	56.7	-177.8	-64.4	-48.9	0	0	0	112.4	S437 S441	S437-D439 PolarHBondContact OG-N 2.91Å; S437-D439 PolarHBondContact OG-OD2 3.3Å; D439-S441 PolarHBondContact O-N 3.09Å
440	F	58.9	Low	54.6	Low	67 Å²	67	98.4 Å²	98.4	29%	0.294	60%	0.604	S	S	.	*			trans	-74	82.3	178.9	-57.1	-58.8	0	0	0	111.1	F438 K442 P883 Q884	F438-F440 HydrophobicContact CB-CD2 4.44Å; F438-F440 HydrophobicContact CB-CE2 4.16Å; F438-F440 AromaticContact CD1-CE2 3.87Å; F438-F440 HydrophobicContact CD1-CE2 3.87Å; F438-F440 HydrophobicContact CG-CE2 4.29Å; F438-F440 WeakPolarHBondContact O-CD2 3.37Å; F438-F440 PolarHBondContact O-N 2.93Å; F440-K442 PolarHBondContact O-N 2.75Å; F440-P883 HydrophobicContact CE1-CB 4.34Å; F440-Q884 HydrophobicContact CD1-CG 4.03Å; F440-Q884 HydrophobicContact CE1-CG 3.8Å
441	S	42.4	Very low	51.5	Low	101 Å²	101	101.7 Å²	101.7	71%	0.706	62%	0.621	S	S	*	*			trans	-65.7	90.5	-178.5	54.3	0	0	0	0	113.3	D439 S443	D439-S441 PolarHBondContact O-N 3.09Å; S441-S443 PolarHBondContact O-N 2.57Å; S441-S443 PolarHBondContact O-OG 2.71Å
442	K	42	Very low	48.7	Very low	192 Å²	192	110 Å²	110	84%	0.835	65%	0.652	S	S	*	*			trans	-59.1	102.5	173.6	-70.5	-178.2	177.7	176.1	0	110.6	F440	F440-K442 PolarHBondContact O-N 2.75Å
443	S	34.3	Very low	46.2	Very low	115 Å²	115	114.1 Å²	114.1	80%	0.804	67%	0.673	S	S	*	*			trans	-114.1	73.8	-170	34.1	0	0	0	0	112.7	S441	S441-S443 PolarHBondContact O-N 2.57Å; S441-S443 PolarHBondContact O-OG 2.71Å
444	A	33.4	Very low	43.4	Very low	93 Å²	93	122.8 Å²	122.8	77%	0.769	71%	0.711	S	S	*	*			trans	-158.7	139.1	163.4	0	0	0	0	0	108.8
445	S	31.7	Very low	41.1	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	72%	0.715	S	S	*	*			cis	-166.8	133.3	-7	52.6	0	0	0	0	110.6
446	T	28.9	Very low	39.1	Very low	153 Å²	153	121.8 Å²	121.8	94%	0.939	71%	0.707	S	S	*	*			trans	-160.1	163.3	161.6	9	0	0	0	0	111.6
447	T	30.6	Very low	36.9	Very low	135 Å²	135	122.7 Å²	122.7	83%	0.828	73%	0.727	S	S	*	*			trans	-86.4	160.3	-164.6	-0.8	0	0	0	0	116
448	S	28.1	Very low	34.9	Very low	106 Å²	106	124.5 Å²	124.5	74%	0.741	74%	0.739	S	S	*	*			trans	-44.7	164.1	173.3	20.3	0	0	0	0	116.8
449	P	36.1	Very low	32.9	Very low	112 Å²	112	126.8 Å²	126.8	73%	0.727	76%	0.764	S	S	*	*			cis	-145.7	154.2	37.1	42.8	-23.3	0	0	0	121.1
450	S	27	Very low	31.6	Very low	106 Å²	106	131 Å²	131	74%	0.741	77%	0.769	S	S	*	*			trans	43.8	121.4	142.4	65.3	0	0	0	0	122.4
451	T	25.6	Very low	30.1	Very low	145 Å²	145	136.7 Å²	136.7	89%	0.89	79%	0.794	S	S	*	*				-152.7	148.1	129.2	-63.9	0	0	0	0	108.8
452	Y	25.8	Very low	29.4	Very low	216 Å²	216	137.1 Å²	137.1	85%	0.847	80%	0.797	S	S	*	*			trans	-83.9	155.3	176.8	-72.5	-100.2	0	0	0	112.2
453	L	27.2	Very low	28.8	Very low	169 Å²	169	139 Å²	139	89%	0.885	80%	0.799	S	S	*	*			trans	-165.7	175.2	139.5	-107.2	163.4	0	0	0	112.3
454	F	25.7	Very low	28.8	Very low	184 Å²	184	139 Å²	139	81%	0.807	80%	0.797	S	S	*	*			trans	-106.1	159.9	-160.7	-87.9	-108.5	0	0	0	115.2
455	S	25.3	Very low	28.4	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	80%	0.797	S	S	*	*			trans	68.6	160.4	149.7	-80.6	0	0	0	0	118.4
456	S	25.6	Very low	28.2	Very low	96 Å²	96	143 Å²	143	67%	0.671	80%	0.803	S	S	*	*			cis	-163.6	150.5	-10.6	41.9	0	0	0	0	112.1
457	S	27.5	Very low	28.4	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	79%	0.794	S	S	*	*			trans	24.9	130.1	149.9	63.8	0	0	0	0	122.9
458	S	29.1	Very low	28.7	Very low	119 Å²	119	141.2 Å²	141.2	83%	0.832	79%	0.794	S	S	*	*			trans	75.5	121.5	140.4	-163.1	0	0	0	0	120.7
459	A	27.2	Very low	28.8	Very low	82 Å²	82	142.5 Å²	142.5	68%	0.678	80%	0.798	S	S	*	*				-159.1	118	124.4	0	0	0	0	0	111	F461	A459-F461 HydrophobicContact CB-CD2 4.32Å
460	R	30.7	Very low	28.6	Very low	234 Å²	234	141.3 Å²	141.3	88%	0.883	80%	0.797	S	S	*	*			trans	-87.4	140.8	152.9	-67.2	-178.1	-176.7	174.1	0.2	107.3
461	F	27.2	Very low	28.7	Very low	188 Å²	188	145.3 Å²	145.3	83%	0.825	80%	0.804	S	S	*	*			trans	-125.9	101.1	169	-103.2	-75.6	0	0	0	111.8	A459	A459-F461 HydrophobicContact CB-CD2 4.32Å
462	S	28.5	Very low	28.8	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	80%	0.8	S	S	*	*			trans	-83.5	147	166.2	-45.4	0	0	0	0	110.1
463	R	30.1	Very low	29.3	Very low	231 Å²	231	140.2 Å²	140.2	87%	0.872	80%	0.798	S	S	*	*			trans	-154.2	158	163.5	-108.9	178.2	-169.6	-150.6	-0.7	109.6
464	P	34.2	Very low	29.2	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	79%	0.791	S	S	*	*				-118.8	167.8	-102.2	39.5	-30.8	0	0	0	113.9
465	A	25	Very low	30	Very low	94 Å²	94	133.2 Å²	133.2	78%	0.777	78%	0.783	S	S	*	*			trans	-99	145.4	168.2	0	0	0	0	0	111
466	E	27.1	Very low	30.2	Very low	190 Å²	190	136.6 Å²	136.6	89%	0.888	78%	0.784	S	S	*	*			trans	-124.3	147.4	165	-70.5	-170.2	152.3	0	0	109.4
467	V	33.2	Very low	30.2	Very low	123 Å²	123	139 Å²	139	75%	0.745	79%	0.785	S	S	*	*			trans	-142.5	137.2	-178.3	-179.7	0	0	0	0	108.6
468	P	36.3	Very low	30.1	Very low	127 Å²	127	140.9 Å²	140.9	83%	0.825	79%	0.785	S	S	*	*			trans	-132.6	154	148.4	35.1	-22.2	0	0	0	113.5
469	T	31.3	Very low	31.1	Very low	134 Å²	134	140.2 Å²	140.2	82%	0.822	78%	0.778	S	S	*	*			trans	-108.2	142.2	-171.6	-44.8	0	0	0	0	112.4
470	A	31.7	Very low	31	Very low	86 Å²	86	142.5 Å²	142.5	71%	0.711	78%	0.778	S	S	*	*			trans	-2.6	136.9	168.8	0	0	0	0	0	121.7
471	Q	29.3	Very low	30.9	Very low	191 Å²	191	136 Å²	136	89%	0.893	77%	0.769	S	S	*	*				-172.8	167.7	109.6	-99.1	175.8	29.8	0	0	113.8
472	T	28.1	Very low	30.9	Very low	132 Å²	132	135.4 Å²	135.4	81%	0.81	77%	0.769	S	S	*	*			trans	-76.3	170.1	-178.2	23.1	0	0	0	0	113.7
473	P	35.2	Very low	30.8	Very low	122 Å²	122	137.1 Å²	137.1	79%	0.792	77%	0.769	S	S	*	*			cis	-143.9	-166.2	33.2	42.9	-20.8	0	0	0	118.3
474	S	24.6	Very low	30.6	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	77%	0.765	S	S	*	*			trans	-80	-172.8	179.8	63.1	0	0	0	0	113.6
475	P	43.7	Very low	30.1	Very low	100 Å²	100	131.6 Å²	131.6	65%	0.649	76%	0.762	S	S	*	*			cis	-150.2	178.3	11.9	45.9	-26.1	0	0	0	120.3
476	K	28.5	Very low	30.1	Very low	180 Å²	180	132.8 Å²	132.8	78%	0.783	76%	0.76	S	S	*	*			trans	67.2	160.3	152.8	-74.3	165	-179.1	-179.3	0	118.3
477	Q	25.2	Very low	30.1	Very low	148 Å²	148	128.4 Å²	128.4	69%	0.692	75%	0.75	S	S	*	*			cis	-153	150.3	-5.4	-108.1	158.2	-64.4	0	0	107.1
478	I	26.3	Very low	29.8	Very low	147 Å²	147	128.5 Å²	128.5	75%	0.754	75%	0.751	S	S	*	*				58.6	142.7	71.4	-57.2	175.3	0	0	0	113.4
479	P	49.4	Very low	29.4	Very low	104 Å²	104	129.8 Å²	129.8	68%	0.675	74%	0.743	S	S	*	*			cis	-107.6	-147.3	1.2	44.3	-34.6	0	0	0	112.1
480	D	25	Very low	29.3	Very low	130 Å²	130	129.4 Å²	129.4	70%	0.695	73%	0.732	S	S	*	*			cis	-154.6	159.4	-1.1	-117	-39.6	0	0	0	107
481	S	29.4	Very low	29.2	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	73%	0.731	S	S	*	*			cis	95.2	117.5	12.4	127.2	0	0	0	0	119
482	Q	27.1	Very low	29.1	Very low	176 Å²	176	130.7 Å²	130.7	82%	0.822	72%	0.723	S	S	*	*			trans	179.1	118.7	161.6	-101.6	178.9	57.2	0	0	109.7
483	N	26.8	Very low	29.1	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	72%	0.716	S	S	*	*				87.2	142.5	87.8	-77.2	-5.6	0	0	0	114.7
484	V	25.9	Very low	28.7	Very low	128 Å²	128	131.4 Å²	131.4	78%	0.776	72%	0.719	S	S	*	*			cis	-155.1	176.7	7.6	98.4	0	0	0	0	114.5
485	C	22.8	Very low	28.8	Very low	105 Å²	105	131.7 Å²	131.7	71%	0.709	72%	0.72	S	S	*	*			trans	-54.4	-179.5	177.6	-68.2	0	0	0	0	118
486	T	26.1	Very low	27.9	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	73%	0.726	S	S	*	*			cis	-163.7	144.7	27.1	-23.4	0	0	0	0	115.7
487	S	27.2	Very low	29.2	Very low	98 Å²	98	128 Å²	128	69%	0.685	72%	0.718	S	S	*	*			trans	39.8	136.6	143.7	63.8	0	0	0	0	122.5
488	V	25.8	Very low	29.4	Very low	126 Å²	126	129.6 Å²	129.6	76%	0.764	72%	0.723	S	S	*	*				179.9	145.6	84.7	151.5	0	0	0	0	107.3
489	K	28.4	Very low	29.4	Very low	153 Å²	153	130 Å²	130	67%	0.665	73%	0.726	S	S	*	*			cis	-156	-173.6	0.6	-129.4	176.4	-177.1	-83.2	0	111.2
490	E	29.5	Very low	28.4	Very low	127 Å²	127	130.1 Å²	130.1	59%	0.593	74%	0.736	S	S	*	*			trans	-9.1	152.6	154.2	-75.9	138.2	-145.5	0	0	121.9
491	H	28.9	Very low	28.2	Very low	148 Å²	148	129.9 Å²	129.9	69%	0.685	74%	0.742	S	S	*	*			cis	-158.8	152.7	13.8	-126.1	-30.4	0	0	0	113.9
492	Q	28.2	Very low	28.1	Very low	156 Å²	156	130.1 Å²	130.1	73%	0.729	74%	0.744	S	S	*	*			trans	68	142.6	151.9	-67.2	176.2	26.1	0	0	120.5
493	T	27.2	Very low	28	Very low	107 Å²	107	129.8 Å²	129.8	66%	0.656	74%	0.743	S	S	*	*			cis	-168.3	131	-41.1	9.1	0	0	0	0	110.7
494	L	27.6	Very low	27.9	Very low	162 Å²	162	129 Å²	129	85%	0.848	74%	0.744	S	S	*	*			trans	60.3	147.7	147.9	-62.5	163.8	0	0	0	119.4
495	S	25.6	Very low	28.6	Very low	110 Å²	110	128.6 Å²	128.6	77%	0.769	74%	0.743	S	S	*	*			cis	-158.6	168.2	-7.7	41.7	0	0	0	0	111.7
496	S	24.3	Very low	28.9	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	75%	0.749	S	S	*	*			trans	-125.4	-162	-167.5	56.4	0	0	0	0	110.7
497	P	57.4	Low	28.9	Very low	93 Å²	93	133.3 Å²	133.3	60%	0.604	76%	0.756	S	S	*	*				-141.2	-174.9	-57.1	36.4	-17.9	0	0	0	116.3
498	F	27.8	Very low	28.9	Very low	180 Å²	180	135 Å²	135	79%	0.789	76%	0.757	S	S	*	*			trans	80.3	129.5	139.7	-74.4	-41.1	0	0	0	124.9
499	L	28.2	Very low	29	Very low	156 Å²	156	135.8 Å²	135.8	82%	0.817	76%	0.757	S	S	*	*			trans	50.7	128.7	131.6	-67.8	162	0	0	0	122.6
500	A	26.4	Very low	29	Very low	107 Å²	107	135 Å²	135	88%	0.884	77%	0.765	S	S	*	*				-172	173.6	112.3	0	0	0	0	0	112
501	C	22.8	Very low	29	Very low	124 Å²	124	135.5 Å²	135.5	84%	0.838	77%	0.77	S	S	*	*			trans	-134.8	143.9	-176.1	170.7	0	0	0	0	111.3
502	S	26.2	Very low	28.8	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	78%	0.778	S	S	*	*			trans	179.9	133.1	144.8	46.3	0	0	0	0	116.8
503	Q	25.9	Very low	28.9	Very low	169 Å²	169	136.6 Å²	136.6	79%	0.79	78%	0.779	S	S	*	*			trans	47.9	115.3	131.6	-61.3	179.4	-25.9	0	0	124.3
504	T	24	Very low	28.8	Very low	129 Å²	129	136.9 Å²	136.9	79%	0.791	79%	0.786	S	S	*	*				58.8	168.8	129.3	63	0	0	0	0	121.9
505	P	40.3	Very low	28.7	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	78%	0.784	S	S	*	*			cis	-126	-167.9	-15	26.7	-2.8	0	0	0	114.3
506	L	29.3	Very low	28.8	Very low	158 Å²	158	139.2 Å²	139.2	83%	0.827	78%	0.781	S	S	*	*			trans	-45.7	153.5	168.8	-63.4	147.7	0	0	0	116.4
507	D	25.3	Very low	29	Very low	163 Å²	163	141.5 Å²	141.5	87%	0.872	78%	0.777	S	S	*	*				-156.3	172	122.3	-138	-26.2	0	0	0	112.2
508	L	28.9	Very low	27.8	Very low	135 Å²	135	144.3 Å²	144.3	71%	0.707	78%	0.782	S	S	*	*			trans	-109	-179.7	-169.8	-124.7	81.6	0	0	0	115.6
509	D	27.1	Very low	27.8	Very low	141 Å²	141	146.1 Å²	146.1	75%	0.754	79%	0.79	S	S	*	*			trans	65.3	141.4	169.2	-61.5	-26.4	0	0	0	117.5
510	T	28	Very low	27.8	Very low	138 Å²	138	147 Å²	147	85%	0.847	79%	0.79	S	S	*	*			cis	-158.3	154.6	47.8	-53.8	0	0	0	0	112.7
511	I	29.2	Very low	27.9	Very low	136 Å²	136	151.2 Å²	151.2	70%	0.697	79%	0.791	S	S	*	*			trans	-79.6	142.1	178.1	-61.9	160.9	0	0	0	112.4	L513	I511-L513 HydrophobicContact CG2-CD1 4.39Å
512	H	26.1	Very low	28.2	Very low	184 Å²	184	148.6 Å²	148.6	85%	0.852	79%	0.786	S	S	*	*			trans	-166.7	156	132.8	-121.6	-87.3	0	0	0	117.2
513	L	30.1	Very low	28.3	Very low	144 Å²	144	150.7 Å²	150.7	75%	0.754	79%	0.787	S	S	*	*			trans	-99.6	141.2	-178	-68.6	68.4	0	0	0	113.6	I511	I511-L513 HydrophobicContact CG2-CD1 4.39Å
514	S	24	Very low	28.4	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	78%	0.782	S	S	*	*			trans	-175.9	118.2	135.4	53.4	0	0	0	0	110.7
515	K	26.2	Very low	28.8	Very low	188 Å²	188	149.7 Å²	149.7	82%	0.817	78%	0.781	S	S	*	*				67.3	119.8	78.4	-95.3	-173.2	176.9	174.2	0	117.2
516	N	27.3	Very low	28.8	Very low	133 Å²	133	149.9 Å²	149.9	71%	0.711	78%	0.782	S	S	*	*			trans	95.1	119.9	139.5	-69.7	-0.4	0	0	0	122.9
517	K	28.5	Very low	29	Very low	158 Å²	158	146.5 Å²	146.5	69%	0.687	78%	0.777	S	S	*	*			trans	95	106.4	130.8	-79.3	-175.1	168.9	-88.5	0	122.2
518	E	32.3	Very low	30	Very low	152 Å²	152	144.2 Å²	144.2	71%	0.71	77%	0.771	S	S	*	*				53.1	129.7	114.4	-64.6	172.3	154	0	0	121.3
519	K	27.7	Very low	30.2	Very low	218 Å²	218	143.5 Å²	143.5	95%	0.948	77%	0.768	S	S	*	*			trans	-138.3	164.5	140.2	-112.5	-178.8	179.7	-176.2	0	110.8
520	Q	28.7	Very low	30.3	Very low	176 Å²	176	146 Å²	146	82%	0.822	77%	0.767	S	S	*	*			trans	-154.5	139.8	-145.5	174.7	-172.9	19.5	0	0	111.9
521	E	27.7	Very low	30.4	Very low	194 Å²	194	149 Å²	149	91%	0.907	76%	0.762	S	S	*	*			trans	167.8	146.2	162.5	-96.4	154.5	-143.5	0	0	106.5
522	G	28.4	Very low	30.4	Very low	70 Å²	70	148.6 Å²	148.6	72%	0.722	77%	0.766	S	S	*	*			cis	175.3	170.1	-8	0	0	0	0	0	108.7
523	I	28.6	Very low	30.5	Very low	146 Å²	146	144 Å²	144	75%	0.749	76%	0.76	S	S	*	*			cis	-165.3	139.5	-9.8	-112.9	164	0	0	0	109.7
524	N	29	Very low	31.1	Very low	128 Å²	128	143.4 Å²	143.4	68%	0.684	77%	0.765	S	S	*	*			trans	56.6	130.9	158.8	-63.5	-8.7	0	0	0	122.4
525	I	31.1	Very low	31.3	Very low	150 Å²	150	143.8 Å²	143.8	77%	0.769	76%	0.763	S	S	*	*				85.2	132.4	51.4	-74	170.8	0	0	0	111.8
526	P	40.9	Very low	31.4	Very low	123 Å²	123	140.2 Å²	140.2	80%	0.799	76%	0.761	S	S	*	*			cis	-141.3	172.9	44.1	40.1	-20.7	0	0	0	120.1
527	A	32.8	Very low	31.4	Very low	87 Å²	87	140.7 Å²	140.7	72%	0.719	76%	0.763	S	S	*	*			trans	-108.1	180	161.6	0	0	0	0	0	110.8
528	P	48	Very low	31.2	Very low	114 Å²	114	138 Å²	138	74%	0.74	76%	0.763	S	S	*	*				-153.8	159.4	110.9	39.2	-23	0	0	0	117.4
529	D	31.5	Very low	31.1	Very low	120 Å²	120	136.9 Å²	136.9	64%	0.642	77%	0.767	S	S	*	*			trans	54	148.9	146.9	-74.7	-4.1	0	0	0	120.6
530	R	31.1	Very low	31	Very low	194 Å²	194	131.9 Å²	131.9	73%	0.732	76%	0.76	S	S	*	*			cis	-161.8	171	1.7	-113.6	167.1	-151.5	-172.1	13.3	106.1
531	R	29	Very low	30.9	Very low	200 Å²	200	130.9 Å²	130.9	76%	0.755	76%	0.759	S	S	*	*			cis	-174.4	149.7	35.6	-137.9	173.2	-149.6	-155	6.7	111.4
532	T	28.8	Very low	30.8	Very low	128 Å²	128	126.3 Å²	126.3	79%	0.785	75%	0.749	S	S	*	*			trans	50	119.3	148.8	45.6	0	0	0	0	123.2
533	A	29	Very low	30.8	Very low	87 Å²	87	132 Å²	132	72%	0.719	76%	0.757	S	S	*	*			trans	-87.1	179.2	141.5	0	0	0	0	0	110.7
534	P	41.5	Very low	30.7	Very low	132 Å²	132	128.5 Å²	128.5	86%	0.857	76%	0.756	S	S	*	*				-150.5	-164.5	86.7	41.2	-21.6	0	0	0	116
535	T	29.7	Very low	30.5	Very low	121 Å²	121	131 Å²	131	74%	0.742	76%	0.763	S	S	*	*			trans	-119.8	152.9	-159.3	50.7	0	0	0	0	117.1
536	S	26.9	Very low	30.3	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	76%	0.76	S	S	*	*			trans	-164.5	139.1	153.8	53.8	0	0	0	0	110.1
537	I	28.5	Very low	29.7	Very low	144 Å²	144	131 Å²	131	74%	0.738	75%	0.754	S	S	*	*			cis	101.1	136.2	11.8	-56.1	171.7	0	0	0	115.2
538	S	24.8	Very low	29.5	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	75%	0.753	S	S	*	*			trans	71.7	134.1	-175.4	66.7	0	0	0	0	116.8
539	T	29.5	Very low	28.4	Very low	130 Å²	130	135.5 Å²	135.5	80%	0.798	75%	0.75	S	S	*	*			cis	100.1	147.8	14.8	71.5	0	0	0	0	117.5
540	S	25.4	Very low	28.3	Very low	113 Å²	113	137.8 Å²	137.8	79%	0.79	76%	0.757	S	S	*	*			trans	80.5	154	177.1	85.6	0	0	0	0	117.4
541	L	26	Very low	28	Very low	155 Å²	155	135.6 Å²	135.6	81%	0.812	76%	0.759	S	S	*	*			cis	-169.7	148.9	-29.1	-114.9	167.8	0	0	0	112.5
542	S	26.7	Very low	27.9	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	76%	0.76	S	S	*	*			trans	75.5	163.8	144.5	78	0	0	0	0	123.5
543	Q	27.5	Very low	28.2	Very low	191 Å²	191	133 Å²	133	89%	0.893	76%	0.763	S	S	*	*			trans	73.2	124.9	174.6	-56.9	-173.2	-4.5	0	0	117.7
544	G	26.3	Very low	28.6	Very low	71 Å²	71	135 Å²	135	73%	0.732	77%	0.768	S	S	*	*			cis	130.7	123.5	-23.4	0	0	0	0	0	116.9
545	H	25.3	Very low	27.9	Very low	180 Å²	180	136.3 Å²	136.3	83%	0.833	77%	0.767	S	S	*	*			trans	179.7	123.3	152	-106.3	-139.2	0	0	0	108.4
546	M	28.1	Very low	27.8	Very low	145 Å²	145	140.1 Å²	140.1	71%	0.714	78%	0.776	S	S	*	*				73.9	130.1	95.1	-61.1	-98.2	86.9	0	0	113.3
547	I	27.9	Very low	27.7	Very low	129 Å²	129	137.9 Å²	137.9	66%	0.662	77%	0.772	S	S	*	*			cis	-152.8	176.7	13.4	-107.1	157.5	0	0	0	111.9
548	E	27.8	Very low	27.5	Very low	148 Å²	148	137.9 Å²	137.9	69%	0.692	78%	0.778	S	S	*	*			trans	-44.4	179.3	175.6	-54	162.6	107.3	0	0	117.9
549	Q	26	Very low	27.4	Very low	147 Å²	147	137.8 Å²	137.8	69%	0.687	78%	0.777	S	S	*	*			cis	-160.5	137.5	11.1	-128.8	150.5	46.2	0	0	106.8
550	E	28.3	Very low	27.2	Very low	169 Å²	169	139.1 Å²	139.1	79%	0.79	78%	0.779	S	S	*	*				78.1	148.6	85.1	-137.4	-172	-149.6	0	0	118.7
551	L	25.8	Very low	27.2	Very low	147 Å²	147	140.7 Å²	140.7	77%	0.77	77%	0.773	S	S	*	*			trans	78.4	108.6	162.2	-70.2	166.3	0	0	0	124.4
552	A	26.8	Very low	27.2	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	77%	0.768	S	S	*	*				59.5	157.9	118.4	0	0	0	0	0	125.2
553	Q	33.7	Very low	27.2	Very low	180 Å²	180	142.2 Å²	142.2	84%	0.841	77%	0.768	S	S	*	*			trans	-81.7	167.1	175.8	-63.5	176.9	-22.7	0	0	113.4
554	P	37.3	Very low	27.3	Very low	128 Å²	128	136.8 Å²	136.8	83%	0.831	76%	0.762	S	S	*	*				-142.1	-171.6	114.5	40.4	-27.8	0	0	0	115.6
555	L	26.5	Very low	27.3	Very low	161 Å²	161	140.8 Å²	140.8	84%	0.843	77%	0.767	S	S	*	*			trans	-98.2	-173.6	-176.2	-80.4	159.6	0	0	0	113.6
556	E	28.3	Very low	27.3	Very low	200 Å²	200	140.2 Å²	140.2	94%	0.935	77%	0.765	S	S	*	*			trans	77.1	148.9	171.9	-50.8	-175.6	168.4	0	0	116.5
557	G	25.1	Very low	27.2	Very low	67 Å²	67	138.2 Å²	138.2	69%	0.691	77%	0.765	S	S	*	*			cis	170.4	162.7	-9.5	0	0	0	0	0	114.1
558	V	24.9	Very low	27.2	Very low	143 Å²	143	136 Å²	136	87%	0.867	77%	0.766	S	S	*	*			trans	69.5	96.6	151.9	-170.4	0	0	0	0	121
559	S	22.5	Very low	27.2	Very low	98 Å²	98	138 Å²	138	69%	0.685	78%	0.776	S	S	*	*				72.6	132.9	115	-140.9	0	0	0	0	126.1
560	L	25.2	Very low	27.3	Very low	159 Å²	159	135.5 Å²	135.5	83%	0.832	78%	0.78	S	S	*	*			trans	78.6	157	135.5	-87.2	172.8	0	0	0	125.6
561	E	24.8	Very low	27.1	Very low	145 Å²	145	131.1 Å²	131.1	68%	0.678	78%	0.78	S	S	*	*			trans	64.8	129.9	176.4	-55.1	-153.3	-176.7	0	0	118.9	K563	E561-K563 IonicContact OE1-NZ 2.83Å; E561-K563 IonicContact OE2-NZ 2.97Å; E561-K563 PolarHBondContact OE2-NZ 2.9Å
562	D	26.2	Very low	27.1	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	78%	0.782	S	S	*	*			cis	104.3	151.4	17.5	-170.4	46.4	0	0	0	115.7
563	K	27.1	Very low	27.1	Very low	154 Å²	154	131.9 Å²	131.9	67%	0.67	78%	0.776	S	S	*	*			trans	72.7	138.3	-173.4	-52.9	123.6	-165.5	170.6	0	113.9	E561	E561-K563 IonicContact OE1-NZ 2.83Å; E561-K563 IonicContact OE2-NZ 2.97Å; E561-K563 PolarHBondContact OE2-NZ 2.9Å
564	G	28.3	Very low	26.8	Very low	76 Å²	76	130.6 Å²	130.6	78%	0.784	77%	0.768	S	S	*	*			cis	163.4	-178.9	1.2	0	0	0	0	0	108.9
565	N	26.6	Very low	26.3	Very low	155 Å²	155	131.7 Å²	131.7	83%	0.829	77%	0.772	S	S	*	*			cis	-166.9	-173.1	-5.9	-165.7	-2.9	0	0	0	107.5
566	Q	26.4	Very low	26.3	Very low	168 Å²	168	133.2 Å²	133.2	79%	0.785	77%	0.772	S	S	*	*			trans	78.5	128.1	169.9	-59.9	177.3	40.3	0	0	115.3
567	S	26.3	Very low	26.4	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	77%	0.766	S	S	*	*			cis	116.4	138.7	15.6	64.8	0	0	0	0	110.5
568	A	28	Very low	26.5	Very low	82 Å²	82	138.2 Å²	138.2	68%	0.678	78%	0.777	S	S	*	*			cis	-167.1	166.8	-5.5	0	0	0	0	0	111.5
569	E	27.1	Very low	26.3	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	77%	0.771	S	S	*	*			trans	63.5	147	147.9	-77.4	177	176	0	0	121.4
570	A	27.3	Very low	26.8	Very low	94 Å²	94	136.2 Å²	136.2	78%	0.777	78%	0.781	S	S	*	*			cis	-158.7	150.9	-7.8	0	0	0	0	0	113.6
571	G	24.9	Very low	27.1	Very low	77 Å²	77	133.6 Å²	133.6	79%	0.794	77%	0.773	S	S	*	*			trans	80.9	142.8	159.5	0	0	0	0	0	117.1
572	S	25.5	Very low	26.9	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	78%	0.778	S	S	*	*			cis	-165.4	160.2	-5.8	45.8	0	0	0	0	109.7
573	E	26.1	Very low	27.3	Very low	141 Å²	141	133.6 Å²	133.6	66%	0.659	78%	0.782	S	S	*	*			cis	-123.2	-104.8	-7	-126	-60.8	109.8	0	0	110.5
574	K	27.8	Very low	27.1	Very low	154 Å²	154	133.7 Å²	133.7	67%	0.67	79%	0.79	S	S	*	*			trans	-153.6	143.3	-164.8	-63.2	173.2	-172.4	107.2	0	116.8
575	V	27.1	Very low	27.1	Very low	150 Å²	150	136.9 Å²	136.9	91%	0.909	79%	0.788	S	S	*	*			trans	-132.3	149.2	134.9	179.2	0	0	0	0	106.7
576	K	26.8	Very low	27.1	Very low	194 Å²	194	140.5 Å²	140.5	84%	0.843	79%	0.791	S	S	*	*			trans	-128.2	158.7	-173	-119.8	-163.9	177.7	-159.2	0	112.6
577	H	30.7	Very low	27	Very low	178 Å²	178	140.6 Å²	140.6	82%	0.824	79%	0.79	S	S	*	*			trans	-111.2	168.6	173.7	-116.7	-95.9	0	0	0	111.8
578	E	26.3	Very low	26.9	Very low	193 Å²	193	144.9 Å²	144.9	90%	0.902	80%	0.797	S	S	*	*			trans	72.1	146.1	169.1	-59.9	-162	141.6	0	0	120.2
579	G	21.5	Very low	26.7	Very low	73 Å²	73	149.6 Å²	149.6	75%	0.753	80%	0.804	S	S	*	*			trans	137.1	105.7	170.9	0	0	0	0	0	114.1
580	S	32.8	Very low	26.6	Very low	127 Å²	127	145.9 Å²	145.9	89%	0.888	80%	0.797	S	S	*	*			trans	-87.6	132.2	164.9	173.3	0	0	0	0	110.4
581	P	30.8	Very low	26.6	Very low	104 Å²	104	147.2 Å²	147.2	68%	0.675	80%	0.798	S	S	*	*			trans	-148.1	135.6	149.2	34.9	-16.9	0	0	0	116.8
582	V	21.6	Very low	26.7	Very low	130 Å²	130	150.4 Å²	150.4	79%	0.788	80%	0.796	S	S	*	*				61.7	130.9	128.1	-176.3	0	0	0	0	120.8
583	N	33.4	Very low	26.8	Very low	146 Å²	146	153.8 Å²	153.8	78%	0.781	80%	0.804	S	S	*	*			trans	-35.6	132.6	163.7	-84.8	-32.1	0	0	0	115.6
584	N	23.1	Very low	26.9	Very low	156 Å²	156	155.2 Å²	155.2	83%	0.834	82%	0.815	S	S	*	*			trans	-150.8	116.2	148.2	-101.8	-66	0	0	0	110.8	R586	N584-R586 PolarHBondContact O-N 3.05Å
585	L	29.7	Very low	26.7	Very low	143 Å²	143	151.7 Å²	151.7	75%	0.749	82%	0.823	S	S	*	*			trans	-68.9	128.5	172.3	-85.7	73.2	0	0	0	110.1
586	R	24.8	Very low	26.6	Very low	231 Å²	231	148 Å²	148	87%	0.872	82%	0.815	S	S	*	*			trans	-133.3	114.5	150.7	-73.8	-166.6	172.2	-170.1	-2.1	109.4	N584 F588	N584-R586 PolarHBondContact O-N 3.05Å; R586-F588 PolarHBondContact O-N 3.13Å
587	H	25.6	Very low	26.4	Very low	169 Å²	169	148.7 Å²	148.7	78%	0.782	82%	0.818	S	S	*	*			trans	-62.6	129.4	175	-74.2	-73.4	0	0	0	110.9
588	F	23.8	Very low	26.3	Very low	194 Å²	194	146 Å²	146	85%	0.851	82%	0.817	S	S	*	*			trans	-115.2	131.8	146.8	-82.5	-84.2	0	0	0	107.7	R586	R586-F588 PolarHBondContact O-N 3.13Å
589	Q	23.1	Very low	26.4	Very low	180 Å²	180	143.7 Å²	143.7	84%	0.841	82%	0.815	S	S	*	*			trans	-88.3	129.6	-170.8	-64.5	172.7	-71.2	0	0	111.5
590	P	25.9	Very low	26.6	Very low	115 Å²	115	151.6 Å²	151.6	75%	0.747	82%	0.823	S	S	*	*			trans	-69.7	145.8	152.8	-12.2	28.9	0	0	0	109.9	L592	P590-L592 PolarHBondContact O-N 2.93Å
591	P	27.8	Very low	26.2	Very low	121 Å²	121	157 Å²	157	79%	0.786	82%	0.824	S	S	*	*			trans	-78.8	113.2	-177.6	29.7	-33.8	0	0	0	113.4
592	L	25.8	Very low	26	Very low	145 Å²	145	158.9 Å²	158.9	76%	0.759	83%	0.833	S	S	*	*			trans	43.6	99.7	138.6	-59	174.1	0	0	0	119.3	P590	P590-L592 PolarHBondContact O-N 2.93Å
593	L	27.6	Very low	26.2	Very low	185 Å²	185	156.5 Å²	156.5	97%	0.969	83%	0.834	S	S	*	*				-124.8	129.9	124.3	-81.6	174.2	0	0	0	107.5
594	L	28.1	Very low	25.8	Very low	171 Å²	171	153.3 Å²	153.3	90%	0.895	84%	0.836	S	S	*	*			trans	-135.9	127.7	-171.6	-163	95.9	0	0	0	111
595	G	24.6	Very low	25.9	Very low	81 Å²	81	150.1 Å²	150.1	84%	0.835	84%	0.84	S	S	*	*			trans	-178.4	106.1	171.9	0	0	0	0	0	108.9
596	G	24.8	Very low	25.7	Very low	71 Å²	71	146.9 Å²	146.9	73%	0.732	84%	0.841	S	S	*	*			trans	-145	161.1	-172.1	0	0	0	0	0	113.2
597	F	23.4	Very low	25.9	Very low	209 Å²	209	141.4 Å²	141.4	92%	0.917	84%	0.838	S	S	*	*			trans	-122.7	154.5	176.5	-75.7	-80.2	0	0	0	110.8
598	P	28.5	Very low	26	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-92.7	133.5	-159.2	33.9	-35	0	0	0	114.8
599	V	27.1	Very low	26.3	Very low	145 Å²	145	138 Å²	138	88%	0.879	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-76.9	126.2	166.1	178.5	0	0	0	0	110
600	R	25.6	Very low	26.4	Very low	239 Å²	239	132.3 Å²	132.3	90%	0.902	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-95.1	117.8	179.4	-168.6	178.9	-171.7	179.8	2.7	110.6
601	R	25.8	Very low	26.5	Very low	241 Å²	241	132.7 Å²	132.7	91%	0.909	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-65.9	140.5	174.2	-72	179.9	173.6	172.9	-3.3	112.1
602	T	27	Very low	26.5	Very low	143 Å²	143	134.2 Å²	134.2	88%	0.877	84%	0.837	S	S	*	*			trans	-121	143.8	145.9	41.9	0	0	0	0	108.3
603	G	25.3	Very low	26.6	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	84%	0.841	S	S	*	*			trans	-106.1	175.5	166.4	0	0	0	0	0	109.8
604	G	24.9	Very low	26.6	Very low	79 Å²	79	128.2 Å²	128.2	81%	0.814	83%	0.833	S	S	*	*			cis	155.7	-167.6	2.3	0	0	0	0	0	110.2
605	G	24.9	Very low	26.8	Very low	89 Å²	89	125.9 Å²	125.9	92%	0.918	83%	0.831	S	S	*	*			trans	90.7	152.5	-179.9	0	0	0	0	0	113.5
606	G	25.8	Very low	27.2	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	84%	0.836	S	S	*	*			trans	-176.2	170.8	177.9	0	0	0	0	0	110.3
607	S	29.6	Very low	27.4	Very low	116 Å²	116	132 Å²	132	81%	0.811	84%	0.84	S	S	*	*			trans	-170.3	126.7	171.8	44	0	0	0	0	113.5
608	N	27.6	Very low	27.8	Very low	153 Å²	153	128.2 Å²	128.2	82%	0.818	83%	0.834	S	S	*	*			trans	35.4	130.2	136.7	-77	15.6	0	0	0	123.3
609	V	28.5	Very low	27.9	Very low	138 Å²	138	131 Å²	131	84%	0.836	84%	0.836	S	S	*	*			trans	79.1	114.7	131	175	0	0	0	0	119.6
610	G	25.7	Very low	28.3	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	84%	0.835	S	S	*	*				121.5	136.4	107.4	0	0	0	0	0	118.9
611	S	28.7	Very low	28.5	Very low	122 Å²	122	129.8 Å²	129.8	85%	0.853	84%	0.836	S	S	*	*			trans	63.3	131.2	169.9	-58.9	0	0	0	0	117.1
612	D	27.4	Very low	28.7	Very low	154 Å²	154	122.9 Å²	122.9	82%	0.824	83%	0.831	S	S	*	*			cis	93.6	152.3	36.3	-169.4	35.8	0	0	0	113.3
613	C	28.5	Very low	28.7	Very low	125 Å²	125	119.9 Å²	119.9	85%	0.845	83%	0.828	S	S	*	*			trans	67.2	140.5	-166.5	87.2	0	0	0	0	116.4
614	G	27.8	Very low	28.9	Very low	78 Å²	78	123.8 Å²	123.8	80%	0.804	83%	0.83	S	S	*	*			trans	-147.1	-179.9	177.2	0	0	0	0	0	110.6
615	S	31.6	Very low	29	Very low	122 Å²	122	124 Å²	124	85%	0.853	82%	0.824	S	S	*	*			trans	-152.8	135.3	-179.3	54.4	0	0	0	0	110.8
616	E	33	Very low	29.3	Very low	204 Å²	204	125.3 Å²	125.3	95%	0.953	82%	0.817	S	S	*	*			trans	-69.5	150.8	174.4	-61.4	177.9	137.9	0	0	111.6
617	G	28.8	Very low	29.8	Very low	78 Å²	78	129.7 Å²	129.7	80%	0.804	82%	0.821	S	S	*	*			trans	-172.3	100.2	176	0	0	0	0	0	110.3
618	T	32	Very low	30.3	Very low	128 Å²	128	130.1 Å²	130.1	79%	0.785	81%	0.814	S	S	*	*			trans	-88.3	132.1	178.7	49	0	0	0	0	111.1
619	E	31.1	Very low	30.9	Very low	181 Å²	181	131.6 Å²	131.6	85%	0.846	82%	0.816	S	S	*	*				176.1	158.9	116.7	-94.8	169.5	-163.6	0	0	111.1
620	D	35.3	Very low	32	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	79%	0.792	S	S	*	*			trans	-46.4	131.5	-166.5	-53.1	-35.8	0	0	0	117.2
621	E	29.4	Very low	33.3	Very low	198 Å²	198	126.4 Å²	126.4	93%	0.925	77%	0.772	S	S	*	*			trans	-144.5	164.8	139.9	-139.1	169.1	-141	0	0	110.5	G623	E621-G623 PolarHBondContact O-N 3.09Å
622	A	29.8	Very low	34.8	Very low	96 Å²	96	125 Å²	125	79%	0.793	76%	0.755	S	S	*	*			trans	-60.1	128.9	-160.3	0	0	0	0	0	114	D624	A622-D624 PolarHBondContact O-N 2.82Å
623	G	26	Very low	36.1	Very low	79 Å²	79	118.5 Å²	118.5	81%	0.814	72%	0.721	S	S	*	*			trans	-71.2	99.1	168.8	0	0	0	0	0	110.9	E621 A625	E621-G623 PolarHBondContact O-N 3.09Å; G623-A625 PolarHBondContact O-N 3.29Å; G623-A625 VanDerWaalsContact O-N 3.17Å
624	D	29.4	Very low	37.5	Very low	162 Å²	162	115.6 Å²	115.6	87%	0.866	71%	0.706	S	S	*	*			trans	-50.8	120.2	160	-92.4	-34.1	0	0	0	108.3	A622	A622-D624 PolarHBondContact O-N 2.82Å
625	A	27.5	Very low	39.2	Very low	82 Å²	82	119.4 Å²	119.4	68%	0.678	70%	0.703	S	S	*	*			trans	-61.1	132.7	172.5	0	0	0	0	0	108.1	G623 L627	G623-A625 PolarHBondContact O-N 3.29Å; G623-A625 VanDerWaalsContact O-N 3.17Å; A625-L627 PolarHBondContact O-N 3.15Å
626	P	31.8	Very low	41	Very low	118 Å²	118	117.6 Å²	117.6	77%	0.766	68%	0.683	S	S	*	*			trans	-62.3	108.4	175.5	25.8	-32.8	0	0	0	108.1	L628	P626-L628 VanDerWaalsContact C-N 3.35Å; P626-L628 PolarHBondContact O-N 2.94Å
627	L	36.7	Very low	43.3	Very low	166 Å²	166	109.3 Å²	109.3	87%	0.869	65%	0.645	S	S	*	*			trans	-56	104.5	165.1	-92.1	159.5	0	0	0	106.6	A625 E629	A625-L627 PolarHBondContact O-N 3.15Å; L627-E629 VanDerWaalsContact C-N 3.28Å; L627-E629 PolarHBondContact O-N 3.05Å
628	L	39.4	Very low	45.7	Very low	126 Å²	126	110.6 Å²	110.6	66%	0.66	64%	0.64	S	S	*	*			trans	-64.4	93.9	173.9	-82	161.2	0	0	0	107.2	P626 V630	P626-L628 VanDerWaalsContact C-N 3.35Å; P626-L628 PolarHBondContact O-N 2.94Å; L628-V630 VanDerWaalsContact C-N 3.29Å; L628-V630 PolarHBondContact O-N 3Å
629	E	41.2	Very low	48.3	Very low	184 Å²	184	105.7 Å²	105.7	86%	0.86	61%	0.609	S	S	*	*			trans	-61.4	95.7	171.3	-71.7	-166.8	147.3	0	0	108.2	L627	L627-E629 VanDerWaalsContact C-N 3.28Å; L627-E629 PolarHBondContact O-N 3.05Å
630	V	50.6	Low	51.1	Low	56 Å²	56	98.3 Å²	98.3	34%	0.339	57%	0.574	S	S	.	*			trans	-57.3	138.6	173.7	-174.3	0	0	0	0	107.8	L628 F667	L628-V630 VanDerWaalsContact C-N 3.29Å; L628-V630 PolarHBondContact O-N 3Å; V630-F667 HydrophobicContact CB-CE1 4.25Å; V630-F667 HydrophobicContact CG1-CD1 3.93Å; V630-F667 HydrophobicContact CG1-CE1 3.73Å; V630-F667 HydrophobicContact CG1-CZ 4.16Å; V630-F667 HydrophobicContact CG2-CE1 3.95Å; V630-F667 HydrophobicContact CG2-CZ 3.75Å
631	P	52.3	Low	53.8	Low	34 Å²	34	92.7 Å²	92.7	22%	0.221	54%	0.544	C	S	.	.			trans	-50.8	153.3	173.5	-28.6	35.7	0	0	0	112.2	T633 I806	P631-T633 PolarHBondContact O-N 3.32Å; P631-I806 WeakPolarHBondContact CG-O 3.22Å
632	D	61.1	Low	56.8	Low	92 Å²	92	84.7 Å²	84.7	49%	0.492	51%	0.509	S	S	.	.			trans	-68.7	75.4	173.4	-170.4	-19.4	0	0	0	110.5	A634 Q635	D632-A634 PolarHBondContact O-N 3.3Å; D632-A634 PolarHBondContact OD1-N 2.86Å; D632-Q635 PolarHBondContact O-N 2.9Å; D632-Q635 PolarHBondContact OD1-N 3.01Å; D632-Q635 PolarHBondContact OD2-NE2 3.47Å
633	T	55	Low	59.8	Low	18 Å²	18	85.8 Å²	85.8	11%	0.11	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-68.8	-22.1	178	49.7	0	0	0	0	111.5	P631 Q635 L636 L637 P810	P631-T633 PolarHBondContact O-N 3.32Å; T633-Q635 VanDerWaalsContact C-N 3.28Å; T633-Q635 PolarHBondContact O-N 2.82Å; T633-L636 CarbonylContact O-C 3.56Å; T633-L636 WeakPolarHBondContact O-CA 3.3Å; T633-L636 PolarHBondContact O-N 3.24Å; T633-L637 PolarHBondContact O-N 3.12Å; T633-P810 HydrophobicContact CG2-CG 4.47Å
634	A	58.3	Low	63.1	Low	64 Å²	64	83.7 Å²	83.7	53%	0.529	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-62.9	-32.5	173.1	0	0	0	0	0	112.3	D632 L636	D632-A634 PolarHBondContact O-N 3.3Å; D632-A634 PolarHBondContact OD1-N 2.86Å; A634-L636 VanDerWaalsContact C-N 3.32Å
635	Q	63	Low	66.2	Low	158 Å²	158	76.1 Å²	76.1	74%	0.738	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-69.2	-25.3	169.1	-76.1	-173.5	56.4	0	0	113.9	D632 T633	D632-Q635 PolarHBondContact O-N 2.9Å; D632-Q635 PolarHBondContact OD1-N 3.01Å; D632-Q635 PolarHBondContact OD2-NE2 3.47Å; T633-Q635 VanDerWaalsContact C-N 3.28Å; T633-Q635 PolarHBondContact O-N 2.82Å
636	L	69.2	Low	69.4	Low	84 Å²	84	74.2 Å²	74.2	44%	0.44	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-29.3	-178.9	-62.4	177.7	0	0	0	113.2	T633 A634 I670 P810	T633-L636 CarbonylContact O-C 3.56Å; T633-L636 WeakPolarHBondContact O-CA 3.3Å; T633-L636 PolarHBondContact O-N 3.24Å; A634-L636 VanDerWaalsContact C-N 3.32Å; L636-I670 HydrophobicContact CB-CG2 4.3Å; L636-P810 HydrophobicContact CD1-CG 4.47Å
637	L	81.3	Confident	72.5	Confident	30 Å²	30	73.8 Å²	73.8	16%	0.157	40%	0.399	C	S	.	.			trans	-130.6	75	-174.5	-68.7	171	0	0	0	110.2	T633 L639 H640 I670	T633-L637 PolarHBondContact O-N 3.12Å; L637-L639 PolarHBondContact O-N 3.25Å; L637-H640 HydrophobicContact CB-CB 3.71Å; L637-H640 HydrophobicContact CD1-CB 4.24Å; L637-H640 PolarHBondContact O-N 2.86Å; L637-I670 HydrophobicContact CD1-CG2 4.43Å; L637-I670 HydrophobicContact CD2-CG2 3.57Å; L637-I670 HydrophobicContact CG-CG2 3.84Å
638	P	79.9	Confident	75.3	Confident	105 Å²	105	67.9 Å²	67.9	68%	0.682	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.1	-176.2	27.1	-36.4	0	0	0	114.5
639	L	85.7	Confident	78	Confident	26 Å²	26	63.5 Å²	63.5	14%	0.136	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	12.7	176	-50.5	-174.2	0	0	0	112.9	L637 M872 K876 L877 M880 E949	L637-L639 PolarHBondContact O-N 3.25Å; L639-M872 WeakPolarHBondContact O-CE 3.14Å; L639-M872 VanDerWaalsContact O-SD 3.35Å; L639-K876 HydrophobicContact CD2-CB 4.44Å; L639-L877 HydrophobicContact CD1-CD2 4.48Å; L639-M880 HydrophobicContact CD1-CE 4.18Å; L639-M880 HydrophobicContact CD2-CE 3.31Å; L639-M880 HydrophobicContact CD2-SD 3.58Å; L639-M880 VanDerWaalsContact CD2-SD 3.58Å; L639-M880 HydrophobicContact CG-CE 4.4Å; L639-E949 HydrophobicContact CD1-CG 3.87Å
640	H	90.2	Very high	80.5	Confident	26 Å²	26	61.1 Å²	61.1	12%	0.12	33%	0.332	C	S	.	.			trans	-119.8	139.7	172.9	-162.1	86.1	0	0	0	110.1	L637 D665 Y666 G668 M872	L637-H640 HydrophobicContact CB-CB 3.71Å; L637-H640 HydrophobicContact CD1-CB 4.24Å; L637-H640 PolarHBondContact O-N 2.86Å; H640-D665 PolarHBondContact CE1-O 3.14Å; H640-D665 PolarHBondContact NE2-O 3.27Å; H640-Y666 PolarHBondContact NE2-O 2.92Å; H640-G668 PolarHBondContact NE2-N 3Å; H640-M872 HydrophobicContact CB-CE 4.33Å; H640-M872 VanDerWaalsContact ND1-CE 3.34Å; H640-M872 WeakPolarHBondContact ND1-CE 3.45Å
641	D	92.1	Very high	82.5	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.23	34%	0.339	C	S	.	.			trans	-148.2	109.1	-174.3	180	-37.9	0	0	0	107.7	D643 L644 Y645 M872 K876	D641-D643 PolarHBondContact O-N 2.82Å; D641-D643 PolarHBondContact OD1-N 3.19Å; D641-L644 HydrophobicContact CB-CB 3.85Å; D641-L644 VanDerWaalsContact CG-CB 3.5Å; D641-L644 PolarHBondContact O-N 2.78Å; D641-L644 WeakPolarHBondContact OD1-CB 3.46Å; D641-L644 PolarHBondContact OD1-N 2.96Å; D641-Y645 VanDerWaalsContact O-CB 3.29Å; D641-Y645 WeakPolarHBondContact O-CB 3.41Å; D641-Y645 PolarHBondContact O-N 3.04Å; D641-M872 HydrophobicContact CB-SD 4.37Å; D641-K876 VanDerWaalsContact OD2-CE 3.27Å; D641-K876 WeakPolarHBondContact OD2-CE 3.42Å; D641-K876 IonicContact OD2-NZ 2.76Å; D641-K876 PolarHBondContact OD2-NZ 2.86Å
642	P	92.6	Very high	84.6	Confident	29 Å²	29	59.9 Å²	59.9	19%	0.188	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-38.9	-174	-23.7	34.3	0	0	0	113.5	Y645 V646 Y666 F667	P642-Y645 WeakPolarHBondContact O-CB 3.44Å; P642-Y645 PolarHBondContact O-N 2.92Å; P642-V646 PolarHBondContact O-N 3.34Å; P642-Y666 WeakPolarHBondContact CA-O 3.42Å; P642-Y666 HydrophobicContact CB-CD2 3.79Å; P642-Y666 HydrophobicContact CB-CE1 4.17Å; P642-Y666 HydrophobicContact CB-CE2 3.36Å; P642-Y666 HydrophobicContact CB-CG 4.35Å; P642-Y666 WeakPolarHBondContact CB-O 3.29Å; P642-Y666 VanDerWaalsContact O-CE2 3.28Å; P642-Y666 WeakPolarHBondContact O-CE2 3.18Å; P642-F667 HydrophobicContact CG-CD1 4.18Å
643	D	93	Very high	86.3	Confident	119 Å²	119	60.2 Å²	60.2	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-66.4	-46.9	179.1	-69.5	-34.3	0	0	0	110.4	D641 Y645 V646 E647	D641-D643 PolarHBondContact O-N 2.82Å; D641-D643 PolarHBondContact OD1-N 3.19Å; D643-Y645 VanDerWaalsContact C-N 3.32Å; D643-Y645 PolarHBondContact O-N 3.5Å; D643-V646 PolarHBondContact O-N 3.26Å; D643-E647 PolarHBondContact O-N 3.42Å
644	L	94.7	Very high	88.2	Confident	35 Å²	35	60.2 Å²	60.2	18%	0.183	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-36.8	175.4	-173	62.6	0	0	0	111.7	D641 V646 E647 M648 M872 K876	D641-L644 HydrophobicContact CB-CB 3.85Å; D641-L644 VanDerWaalsContact CG-CB 3.5Å; D641-L644 PolarHBondContact O-N 2.78Å; D641-L644 WeakPolarHBondContact OD1-CB 3.46Å; D641-L644 PolarHBondContact OD1-N 2.96Å; L644-V646 VanDerWaalsContact C-N 3.35Å; L644-E647 PolarHBondContact O-N 2.68Å; L644-M648 HydrophobicContact CD1-CE 3.67Å; L644-M648 HydrophobicContact CG-CE 4.17Å; L644-M648 VanDerWaalsContact O-CG 3.32Å; L644-M648 WeakPolarHBondContact O-CG 3.49Å; L644-M648 PolarHBondContact O-N 3.07Å; L644-M872 HydrophobicContact CB-CG 4.18Å; L644-M872 HydrophobicContact CD2-CG 4.07Å; L644-M872 HydrophobicContact CG-CG 4.02Å; L644-K876 HydrophobicContact CD2-CD 4.11Å; L644-K876 HydrophobicContact CD2-CG 4.36Å
645	Y	95.4	Very high	90	Very high	3 Å²	3	58.8 Å²	58.8	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-44.4	173.8	-179.4	-87.8	0	0	0	111.3	D641 P642 D643 M648 V649 V661 D665 Y666 T866 T869	D641-Y645 VanDerWaalsContact O-CB 3.29Å; D641-Y645 WeakPolarHBondContact O-CB 3.41Å; D641-Y645 PolarHBondContact O-N 3.04Å; P642-Y645 WeakPolarHBondContact O-CB 3.44Å; P642-Y645 PolarHBondContact O-N 2.92Å; D643-Y645 VanDerWaalsContact C-N 3.32Å; D643-Y645 PolarHBondContact O-N 3.5Å; Y645-M648 WeakPolarHBondContact O-CA 3.23Å; Y645-M648 WeakPolarHBondContact O-CB 3.35Å; Y645-M648 PolarHBondContact O-N 3.43Å; Y645-M648 VanDerWaalsContact O-N 3.09Å; Y645-V649 HydrophobicContact CD1-CG2 3.87Å; Y645-V649 HydrophobicContact CE1-CG2 3.34Å; Y645-V649 WeakPolarHBondContact O-CG2 3.43Å; Y645-V649 PolarHBondContact O-N 3.09Å; Y645-V661 HydrophobicContact CD1-CG1 4.36Å; Y645-V661 HydrophobicContact CE1-CG1 3.63Å; Y645-D665 HydrophobicContact CE1-CB 4.48Å; Y645-D665 HydrophobicContact CE2-CB 4.36Å; Y645-Y666 HydrophobicContact CD1-CD2 4.43Å; Y645-T866 PolarHBondContact OH-OG1 3.28Å; Y645-T866 VanDerWaalsContact OH-OG1 3.14Å; Y645-T869 WeakPolarHBondContact CE2-OG1 3.2Å
646	V	94.8	Very high	91.4	Very high	43 Å²	43	53.3 Å²	53.3	26%	0.261	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-38.7	176.4	162.6	0	0	0	0	112.3	P642 D643 L644 M648 V649 K650 Y666	P642-V646 PolarHBondContact O-N 3.34Å; D643-V646 PolarHBondContact O-N 3.26Å; L644-V646 VanDerWaalsContact C-N 3.35Å; V646-M648 VanDerWaalsContact C-N 3.28Å; V646-M648 PolarHBondContact O-N 3.11Å; V646-V649 PolarHBondContact O-N 3.33Å; V646-K650 WeakPolarHBondContact O-CG 3.43Å; V646-K650 PolarHBondContact O-N 3.32Å; V646-Y666 HydrophobicContact CG2-CD2 3.67Å; V646-Y666 HydrophobicContact CG2-CE2 3.45Å; V646-Y666 VanDerWaalsContact CG2-CE2 3.45Å
647	E	95.3	Very high	92.5	Very high	109 Å²	109	57.1 Å²	57.1	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-34.3	170.9	-65.3	-52.7	143.3	0	0	112.4	D643 L644 K650 G651	D643-E647 PolarHBondContact O-N 3.42Å; L644-E647 PolarHBondContact O-N 2.68Å; E647-K650 VanDerWaalsContact CD-NZ 3.34Å; E647-K650 IonicContact OE1-NZ 2.62Å; E647-K650 PolarHBondContact OE1-NZ 2.91Å; E647-K650 WeakPolarHBondContact OE2-CD 3.33Å; E647-K650 IonicContact OE2-NZ 3.44Å; E647-K650 PolarHBondContact OE2-NZ 2.8Å; E647-G651 PolarHBondContact O-N 2.96Å
648	M	96.4	Very high	92.9	Very high	41 Å²	41	57.4 Å²	57.4	20%	0.202	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-40.7	173.4	-64.6	-55.1	152.9	0	0	112.5	L644 Y645 V646 G651 T652 K871 M872	L644-M648 HydrophobicContact CD1-CE 3.67Å; L644-M648 HydrophobicContact CG-CE 4.17Å; L644-M648 VanDerWaalsContact O-CG 3.32Å; L644-M648 WeakPolarHBondContact O-CG 3.49Å; L644-M648 PolarHBondContact O-N 3.07Å; Y645-M648 WeakPolarHBondContact O-CA 3.23Å; Y645-M648 WeakPolarHBondContact O-CB 3.35Å; Y645-M648 PolarHBondContact O-N 3.43Å; Y645-M648 VanDerWaalsContact O-N 3.09Å; V646-M648 VanDerWaalsContact C-N 3.28Å; V646-M648 PolarHBondContact O-N 3.11Å; M648-G651 CarbonylContact O-C 3.36Å; M648-G651 WeakPolarHBondContact O-CA 3.33Å; M648-G651 PolarHBondContact O-N 3.47Å; M648-G651 VanDerWaalsContact O-N 3.1Å; M648-T652 PolarHBondContact O-N 3.49Å; M648-T652 PolarHBondContact O-OG1 3.03Å; M648-T652 VanDerWaalsContact O-OG1 3.13Å; M648-K871 HydrophobicContact CB-CB 4.12Å; M648-K871 HydrophobicContact CG-CB 3.78Å; M648-K871 PolarHBondContact O-NZ 2.65Å; M648-K871 HydrophobicContact SD-CB 3.57Å; M648-K871 VanDerWaalsContact SD-CB 3.57Å; M648-K871 HydrophobicContact SD-CD 4.31Å; M648-M872 HydrophobicContact CG-CB 4Å
649	V	95.3	Very high	93.2	Very high	35 Å²	35	57.3 Å²	57.3	21%	0.212	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-43.3	176	171.5	0	0	0	0	111.5	Y645 V646 G651 T652 V661 S868	Y645-V649 HydrophobicContact CD1-CG2 3.87Å; Y645-V649 HydrophobicContact CE1-CG2 3.34Å; Y645-V649 WeakPolarHBondContact O-CG2 3.43Å; Y645-V649 PolarHBondContact O-N 3.09Å; V646-V649 PolarHBondContact O-N 3.33Å; V649-G651 PolarHBondContact O-N 3.17Å; V649-G651 VanDerWaalsContact O-N 3.1Å; V649-T652 WeakPolarHBondContact O-CB 3.25Å; V649-T652 PolarHBondContact O-N 2.69Å; V649-V661 HydrophobicContact CG1-CG2 4.15Å; V649-V661 HydrophobicContact CG2-CG2 4.41Å; V649-S868 WeakPolarHBondContact CG2-OG 3.44Å
650	K	93.7	Very high	93.4	Very high	134 Å²	134	61.1 Å²	61.1	58%	0.583	34%	0.335	S	S	*	.	H	α-helix	trans	-57.1	-26.7	175.1	-69.5	168.6	-169.8	170.3	0	113.2	V646 E647	V646-K650 WeakPolarHBondContact O-CG 3.43Å; V646-K650 PolarHBondContact O-N 3.32Å; E647-K650 VanDerWaalsContact CD-NZ 3.34Å; E647-K650 IonicContact OE1-NZ 2.62Å; E647-K650 PolarHBondContact OE1-NZ 2.91Å; E647-K650 WeakPolarHBondContact OE2-CD 3.33Å; E647-K650 IonicContact OE2-NZ 3.44Å; E647-K650 PolarHBondContact OE2-NZ 2.8Å
651	G	93	Very high	93.6	Very high	46 Å²	46	62.4 Å²	62.4	47%	0.474	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	20.7	174.4	0	0	0	0	0	114.6	E647 M648 V649 K871	E647-G651 PolarHBondContact O-N 2.96Å; M648-G651 CarbonylContact O-C 3.36Å; M648-G651 WeakPolarHBondContact O-CA 3.33Å; M648-G651 PolarHBondContact O-N 3.47Å; M648-G651 VanDerWaalsContact O-N 3.1Å; V649-G651 PolarHBondContact O-N 3.17Å; V649-G651 VanDerWaalsContact O-N 3.1Å; G651-K871 VanDerWaalsContact C-NZ 3.26Å; G651-K871 PolarHBondContact O-NZ 3.48Å
652	T	96	Very high	93.8	Very high	17 Å²	17	60.5 Å²	60.5	10%	0.104	34%	0.335	C	S	.	.			trans	-109.2	124.3	175.4	-66.9	0	0	0	0	109.7	M648 V649 Y867 S868 K871 V979	M648-T652 PolarHBondContact O-N 3.49Å; M648-T652 PolarHBondContact O-OG1 3.03Å; M648-T652 VanDerWaalsContact O-OG1 3.13Å; V649-T652 WeakPolarHBondContact O-CB 3.25Å; V649-T652 PolarHBondContact O-N 2.69Å; T652-Y867 HydrophobicContact CG2-CD1 4.06Å; T652-S868 PolarHBondContact OG1-OG 3.19Å; T652-K871 WeakPolarHBondContact OG1-CE 3.38Å; T652-K871 PolarHBondContact OG1-NZ 3.28Å; T652-V979 HydrophobicContact CG2-CB 4.27Å; T652-V979 HydrophobicContact CG2-CG1 3.7Å; T652-V979 HydrophobicContact CG2-CG2 3.49Å; T652-V979 VanDerWaalsContact CG2-CG2 3.49Å
653	Q	96.7	Very high	94	Very high	100 Å²	100	61 Å²	61	47%	0.467	33%	0.334	S	S	.	.			trans	-90.6	130.2	176.4	-60.6	-55.4	-42.7	0	0	110.5	S897 N899 V979	Q653-S897 WeakPolarHBondContact CB-O 3.4Å; Q653-S897 WeakPolarHBondContact CG-O 3.42Å; Q653-N899 PolarHBondContact N-OD1 3.2Å; Q653-N899 PolarHBondContact O-ND2 2.86Å; Q653-V979 WeakPolarHBondContact O-CG1 3.5Å
654	S	96.3	Very high	94.1	Very high	17 Å²	17	55.3 Å²	55.3	12%	0.119	30%	0.303	C	S	.	.			trans	-130.5	147.3	176.4	59.6	0	0	0	0	110.2	Q657 Y658	S654-Q657 PolarHBondContact O-N 2.86Å; S654-Q657 VanDerWaalsContact OG-CA 3.31Å; S654-Q657 WeakPolarHBondContact OG-CA 3.34Å; S654-Q657 PolarHBondContact OG-N 2.98Å; S654-Y658 PolarHBondContact OG-N 2.7Å
655	V	96.4	Very high	94.2	Very high	35 Å²	35	53.9 Å²	53.9	21%	0.212	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-46.7	-179	-179.9	0	0	0	0	112.1	F342 H343 F344 Q657 I755 N980 L987	F342-V655 HydrophobicContact CB-CG1 4.41Å; H343-V655 WeakPolarHBondContact O-CG1 3.32Å; F344-V655 HydrophobicContact CB-CG1 4.42Å; F344-V655 HydrophobicContact CB-CG2 4.21Å; F344-V655 HydrophobicContact CD2-CG2 3.91Å; F344-V655 HydrophobicContact CG-CG2 4.4Å; V655-Q657 VanDerWaalsContact C-N 3.29Å; V655-Q657 PolarHBondContact O-N 2.66Å; V655-I755 HydrophobicContact CB-CD1 3.84Å; V655-I755 HydrophobicContact CG1-CD1 4.2Å; V655-I755 HydrophobicContact CG2-CD1 3.82Å; V655-N980 WeakPolarHBondContact CB-OD1 2.92Å; V655-N980 PolarHBondContact N-OD1 3.49Å; V655-L987 HydrophobicContact CG2-CD1 3.9Å; V655-L987 HydrophobicContact CG2-CD2 3.9Å
656	P	91.9	Very high	94.1	Very high	43 Å²	43	57 Å²	57	28%	0.279	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.7	174.9	34.2	-37.3	0	0	0	114.5	F342 Y658 N980	F342-P656 HydrophobicContact CD1-CB 4.04Å; F342-P656 HydrophobicContact CD2-CB 4.48Å; F342-P656 HydrophobicContact CD2-CG 4.22Å; F342-P656 HydrophobicContact CE1-CB 3.7Å; F342-P656 HydrophobicContact CE1-CG 4.35Å; F342-P656 HydrophobicContact CE2-CB 4.16Å; F342-P656 HydrophobicContact CE2-CG 3.9Å; F342-P656 HydrophobicContact CG-CB 4.43Å; F342-P656 HydrophobicContact CZ-CB 3.76Å; F342-P656 HydrophobicContact CZ-CG 3.97Å; P656-Y658 HydrophobicContact CB-CD1 4.42Å; P656-Y658 HydrophobicContact CB-CE1 4.16Å; P656-Y658 HydrophobicContact CG-CD1 3.7Å; P656-Y658 HydrophobicContact CG-CD2 4.26Å; P656-Y658 HydrophobicContact CG-CE1 3.27Å; P656-Y658 HydrophobicContact CG-CE2 3.89Å; P656-Y658 HydrophobicContact CG-CG 4.18Å; P656-N980 VanDerWaalsContact CD-OD1 3.32Å; P656-N980 WeakPolarHBondContact CD-OD1 3.43Å
657	Q	91.4	Very high	94	Very high	164 Å²	164	56.4 Å²	56.4	77%	0.766	30%	0.302	S	S	*	.			trans	55.4	56.9	-179.1	-56.9	179.3	15.5	0	0	113.1	S654 V655 A659	S654-Q657 PolarHBondContact O-N 2.86Å; S654-Q657 VanDerWaalsContact OG-CA 3.31Å; S654-Q657 WeakPolarHBondContact OG-CA 3.34Å; S654-Q657 PolarHBondContact OG-N 2.98Å; V655-Q657 VanDerWaalsContact C-N 3.29Å; V655-Q657 PolarHBondContact O-N 2.66Å; Q657-A659 PolarHBondContact O-N 2.88Å
658	Y	90.3	Very high	93.8	Very high	35 Å²	35	51.4 Å²	51.4	14%	0.137	28%	0.28	C	S	.	.			trans	-51.4	124.9	-178.9	-63.4	-50.3	0	0	0	112.6	S654 P656 Q730 F731 V979	S654-Y658 PolarHBondContact OG-N 2.7Å; P656-Y658 HydrophobicContact CB-CD1 4.42Å; P656-Y658 HydrophobicContact CB-CE1 4.16Å; P656-Y658 HydrophobicContact CG-CD1 3.7Å; P656-Y658 HydrophobicContact CG-CD2 4.26Å; P656-Y658 HydrophobicContact CG-CE1 3.27Å; P656-Y658 HydrophobicContact CG-CE2 3.89Å; P656-Y658 HydrophobicContact CG-CG 4.18Å; Y658-Q730 HydrophobicContact CD1-CB 4.32Å; Y658-Q730 VanDerWaalsContact CD1-O 3.26Å; Y658-Q730 WeakPolarHBondContact CD1-O 3.36Å; Y658-F731 WeakPolarHBondContact CE2-O 3.47Å; Y658-V979 WeakPolarHBondContact CE2-O 3.47Å
659	A	85.4	Confident	93.6	Very high	103 Å²	103	50.3 Å²	50.3	85%	0.851	27%	0.274	S	S	*	.			trans	-99.2	-14.5	178.3	0	0	0	0	0	113.4	Q657	Q657-A659 PolarHBondContact O-N 2.88Å
660	E	91.8	Very high	93.4	Very high	106 Å²	106	50 Å²	50	50%	0.495	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-106	156.2	-176.2	-62.8	-175.4	167.5	0	0	112	N728 F731	E660-N728 PolarHBondContact OE2-ND2 3.12Å; E660-F731 WeakPolarHBondContact O-CB 3.26Å
661	V	94.3	Very high	93.1	Very high	54 Å²	54	44.6 Å²	44.6	33%	0.327	25%	0.251	S	S	.	.			trans	-126.9	126.6	179.2	-179.3	0	0	0	0	109.1	Y645 V649	Y645-V661 HydrophobicContact CD1-CG1 4.36Å; Y645-V661 HydrophobicContact CE1-CG1 3.63Å; V649-V661 HydrophobicContact CG1-CG2 4.15Å; V649-V661 HydrophobicContact CG2-CG2 4.41Å
662	A	96.5	Very high	92.8	Very high	3 Å²	3	43 Å²	43	3%	0.025	23%	0.233	C	C	.	.			trans	-67	132.7	175.9	0	0	0	0	0	111.3	P664 D665 Y666 F731 Y765 Y858	A662-P664 VanDerWaalsContact C-N 3.34Å; A662-D665 PolarHBondContact O-N 2.86Å; A662-D665 VanDerWaalsContact O-N 3.11Å; A662-Y666 PolarHBondContact O-N 2.9Å; A662-Y666 VanDerWaalsContact O-N 3.11Å; A662-F731 HydrophobicContact CB-CB 4.49Å; A662-F731 HydrophobicContact CB-CD1 4.22Å; A662-F731 HydrophobicContact CB-CD2 3.79Å; A662-F731 HydrophobicContact CB-CE1 4.36Å; A662-F731 HydrophobicContact CB-CE2 3.95Å; A662-F731 HydrophobicContact CB-CG 3.92Å; A662-F731 HydrophobicContact CB-CZ 4.23Å; A662-Y765 WeakPolarHBondContact CB-OH 3.06Å; A662-Y858 HydrophobicContact CB-CD1 4.18Å; A662-Y858 HydrophobicContact CB-CE1 3.77Å
663	Y	96	Very high	92	Very high	38 Å²	38	49 Å²	49	15%	0.149	26%	0.262	C	S	.	.	H	α-helix	trans	-49.1	-42.1	179.6	-165.8	-74.9	0	0	0	114.7	D665 Y666 F667 Y800 V802 A805 I806 Y858	Y663-D665 PolarHBondContact O-N 3.41Å; Y663-Y666 PolarHBondContact O-N 3.43Å; Y663-F667 AromaticContact CD1-CD2 3.7Å; Y663-F667 HydrophobicContact CD1-CD2 3.7Å; Y663-F667 HydrophobicContact CD1-CE2 4.45Å; Y663-F667 AromaticContact CD2-CD2 3.89Å; Y663-F667 HydrophobicContact CD2-CD2 3.89Å; Y663-F667 AromaticContact CD2-CE2 3.84Å; Y663-F667 HydrophobicContact CD2-CE2 3.84Å; Y663-F667 HydrophobicContact CE1-CB 4.28Å; Y663-F667 AromaticContact CE1-CD2 3.39Å; Y663-F667 HydrophobicContact CE1-CD2 3.39Å; Y663-F667 HydrophobicContact CE1-CE2 4.05Å; Y663-F667 HydrophobicContact CE1-CG 4.15Å; Y663-F667 AromaticContact CE2-CD2 3.6Å; Y663-F667 HydrophobicContact CE2-CD2 3.6Å; Y663-F667 AromaticContact CE2-CE2 3.37Å; Y663-F667 HydrophobicContact CE2-CE2 3.37Å; Y663-F667 AromaticContact CG-CD2 3.93Å; Y663-F667 HydrophobicContact CG-CD2 3.93Å; Y663-F667 HydrophobicContact CG-CE2 4.36Å; Y663-F667 AromaticContact CZ-CD2 3.32Å; Y663-F667 AromaticContact CZ-CE2 3.47Å; Y663-F667 VanDerWaalsContact CZ-CE2 3.47Å; Y663-F667 PolarHBondContact O-N 2.77Å; Y663-F667 VanDerWaalsContact O-N 3.09Å; Y663-Y800 AromaticContact CD1-CE1 3.76Å; Y663-Y800 HydrophobicContact CD1-CE1 3.76Å; Y663-Y800 HydrophobicContact CE1-CE1 4.19Å; Y663-V802 HydrophobicContact CD1-CG1 4.5Å; Y663-V802 HydrophobicContact CD1-CG2 3.84Å; Y663-V802 HydrophobicContact CD2-CG1 3.9Å; Y663-V802 HydrophobicContact CD2-CG2 3.92Å; Y663-V802 HydrophobicContact CE1-CG1 4.28Å; Y663-V802 HydrophobicContact CE1-CG2 4.36Å; Y663-V802 HydrophobicContact CE2-CG1 3.64Å; Y663-V802 HydrophobicContact CE2-CG2 4.42Å; Y663-V802 HydrophobicContact CG-CG1 4.34Å; Y663-V802 HydrophobicContact CG-CG2 3.61Å; Y663-A805 HydrophobicContact CE1-CB 3.99Å; Y663-I806 VanDerWaalsContact OH-CG1 3.32Å; Y663-I806 WeakPolarHBondContact OH-CG1 3.4Å; Y663-Y858 PolarHBondContact N-OH 3.19Å
664	P	95.7	Very high	91.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70	-17.5	-176.7	-16.7	31.9	0	0	0	114.4	A662 G668 H669 Y800 W812 Y858	A662-P664 VanDerWaalsContact C-N 3.34Å; P664-G668 CarbonylContact O-C 3.54Å; P664-G668 WeakPolarHBondContact O-CA 3.45Å; P664-G668 PolarHBondContact O-N 2.8Å; P664-H669 PolarHBondContact O-ND1 3.39Å; P664-Y800 HydrophobicContact CB-CD1 4.13Å; P664-Y800 HydrophobicContact CB-CD2 3.84Å; P664-Y800 HydrophobicContact CB-CE1 4.23Å; P664-Y800 HydrophobicContact CB-CE2 3.94Å; P664-Y800 HydrophobicContact CB-CG 3.92Å; P664-Y800 HydrophobicContact CG-CD1 3.69Å; P664-Y800 HydrophobicContact CG-CD2 4.21Å; P664-Y800 HydrophobicContact CG-CE1 4.07Å; P664-Y800 HydrophobicContact CG-CG 3.75Å; P664-W812 HydrophobicContact CB-CZ2 3.68Å; P664-W812 HydrophobicContact CG-CH2 4.43Å; P664-W812 HydrophobicContact CG-CZ2 3.79Å; P664-Y858 HydrophobicContact CG-CD1 4.41Å; P664-Y858 HydrophobicContact CG-CD2 3.48Å; P664-Y858 VanDerWaalsContact CG-CD2 3.48Å; P664-Y858 HydrophobicContact CG-CE2 4.07Å; P664-Y858 HydrophobicContact CG-CG 3.69Å
665	D	95.5	Very high	91	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-97.3	-35.2	176.5	-63.1	-62.2	0	0	0	111.3	H640 Y645 A662 Y663 Y765 T866	H640-D665 PolarHBondContact CE1-O 3.14Å; H640-D665 PolarHBondContact NE2-O 3.27Å; Y645-D665 HydrophobicContact CE1-CB 4.48Å; Y645-D665 HydrophobicContact CE2-CB 4.36Å; A662-D665 PolarHBondContact O-N 2.86Å; A662-D665 VanDerWaalsContact O-N 3.11Å; Y663-D665 PolarHBondContact O-N 3.41Å; D665-Y765 WeakPolarHBondContact OD2-CE1 3.47Å; D665-Y765 PolarHBondContact OD2-OH 3.18Å; D665-T866 HydrophobicContact CB-CG2 4.28Å
666	Y	94.1	Very high	90.9	Very high	68 Å²	68	56 Å²	56	27%	0.267	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-52.2	173.6	179	-124.3	0	0	0	112.3	H640 P642 Y645 V646 A662 Y663	H640-Y666 PolarHBondContact NE2-O 2.92Å; P642-Y666 WeakPolarHBondContact CA-O 3.42Å; P642-Y666 HydrophobicContact CB-CD2 3.79Å; P642-Y666 HydrophobicContact CB-CE1 4.17Å; P642-Y666 HydrophobicContact CB-CE2 3.36Å; P642-Y666 HydrophobicContact CB-CG 4.35Å; P642-Y666 WeakPolarHBondContact CB-O 3.29Å; P642-Y666 VanDerWaalsContact O-CE2 3.28Å; P642-Y666 WeakPolarHBondContact O-CE2 3.18Å; Y645-Y666 HydrophobicContact CD1-CD2 4.43Å; V646-Y666 HydrophobicContact CG2-CD2 3.67Å; V646-Y666 HydrophobicContact CG2-CE2 3.45Å; V646-Y666 VanDerWaalsContact CG2-CE2 3.45Å; A662-Y666 PolarHBondContact O-N 2.9Å; A662-Y666 VanDerWaalsContact O-N 3.11Å; Y663-Y666 PolarHBondContact O-N 3.43Å
667	F	91.6	Very high	91	Very high	31 Å²	31	58 Å²	58	14%	0.136	31%	0.305	C	S	.	.	S	Bend	trans	-89	-10.9	179.3	-69.7	-68.5	0	0	0	114.2	V630 P642 Y663	V630-F667 HydrophobicContact CB-CE1 4.25Å; V630-F667 HydrophobicContact CG1-CD1 3.93Å; V630-F667 HydrophobicContact CG1-CE1 3.73Å; V630-F667 HydrophobicContact CG1-CZ 4.16Å; V630-F667 HydrophobicContact CG2-CE1 3.95Å; V630-F667 HydrophobicContact CG2-CZ 3.75Å; P642-F667 HydrophobicContact CG-CD1 4.18Å; Y663-F667 AromaticContact CD1-CD2 3.7Å; Y663-F667 HydrophobicContact CD1-CD2 3.7Å; Y663-F667 HydrophobicContact CD1-CE2 4.45Å; Y663-F667 AromaticContact CD2-CD2 3.89Å; Y663-F667 HydrophobicContact CD2-CD2 3.89Å; Y663-F667 AromaticContact CD2-CE2 3.84Å; Y663-F667 HydrophobicContact CD2-CE2 3.84Å; Y663-F667 HydrophobicContact CE1-CB 4.28Å; Y663-F667 AromaticContact CE1-CD2 3.39Å; Y663-F667 HydrophobicContact CE1-CD2 3.39Å; Y663-F667 HydrophobicContact CE1-CE2 4.05Å; Y663-F667 HydrophobicContact CE1-CG 4.15Å; Y663-F667 AromaticContact CE2-CD2 3.6Å; Y663-F667 HydrophobicContact CE2-CD2 3.6Å; Y663-F667 AromaticContact CE2-CE2 3.37Å; Y663-F667 HydrophobicContact CE2-CE2 3.37Å; Y663-F667 AromaticContact CG-CD2 3.93Å; Y663-F667 HydrophobicContact CG-CD2 3.93Å; Y663-F667 HydrophobicContact CG-CE2 4.36Å; Y663-F667 AromaticContact CZ-CD2 3.32Å; Y663-F667 AromaticContact CZ-CE2 3.47Å; Y663-F667 VanDerWaalsContact CZ-CE2 3.47Å; Y663-F667 PolarHBondContact O-N 2.77Å; Y663-F667 VanDerWaalsContact O-N 3.09Å
668	G	91.3	Very high	91.2	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	28%	0.277	C	S	.	.			trans	71.2	-175.7	-174.7	0	0	0	0	0	113.4	H640 P664 Y800	H640-G668 PolarHBondContact NE2-N 3Å; P664-G668 CarbonylContact O-C 3.54Å; P664-G668 WeakPolarHBondContact O-CA 3.45Å; P664-G668 PolarHBondContact O-N 2.8Å; G668-Y800 PolarHBondContact O-OH 3.07Å
669	H	92.5	Very high	91.4	Very high	19 Å²	19	53 Å²	53	9%	0.088	29%	0.286	C	S	.	.			trans	-153.5	148.2	-176.7	59.6	-96.6	0	0	0	112.8	P664 Y800 P810 W812 W942	P664-H669 PolarHBondContact O-ND1 3.39Å; H669-Y800 HydrophobicContact CB-CD2 4.37Å; H669-Y800 HydrophobicContact CB-CE2 3.8Å; H669-P810 CarbonylContact C-O 3.56Å; H669-P810 VanDerWaalsContact CA-O 3.3Å; H669-P810 WeakPolarHBondContact CA-O 3.48Å; H669-W812 AromaticContact CD2-CD1 3.52Å; H669-W812 AromaticContact CE1-CD1 3.79Å; H669-W812 AromaticContact CE1-NE1 3.68Å; H669-W812 AromaticContact CG-CD1 3.44Å; H669-W812 VanDerWaalsContact CG-CD1 3.44Å; H669-W812 AromaticContact CG-NE1 3.76Å; H669-W812 AromaticContact ND1-CD1 3.63Å; H669-W812 AromaticContact ND1-NE1 3.47Å; H669-W812 PolarHBondContact ND1-NE1 2.95Å; H669-W812 AromaticContact NE2-CD1 3.71Å; H669-W942 AromaticContact CE1-CH2 3.95Å; H669-W942 AromaticContact CE1-CZ2 3.69Å; H669-W942 AromaticContact NE2-CH2 3.39Å; H669-W942 WeakPolarHBondContact NE2-CH2 3.3Å; H669-W942 AromaticContact NE2-CZ2 3.23Å; H669-W942 WeakPolarHBondContact NE2-CZ2 3.25Å
670	I	90.9	Very high	91.5	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.138	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-99.7	157.1	173.2	60.4	179.4	0	0	0	111.1	L636 L637 M673 P810 Q811	L636-I670 HydrophobicContact CB-CG2 4.3Å; L637-I670 HydrophobicContact CD1-CG2 4.43Å; L637-I670 HydrophobicContact CD2-CG2 3.57Å; L637-I670 HydrophobicContact CG-CG2 3.84Å; I670-M673 HydrophobicContact CD1-CE 4.36Å; I670-P810 HydrophobicContact CG1-CG 4.42Å; I670-P810 PolarHBondContact N-O 2.8Å; I670-Q811 HydrophobicContact CD1-CG 4.28Å; I670-Q811 HydrophobicContact CG1-CG 3.62Å
671	A	88.4	Confident	91.2	Very high	21 Å²	21	52.9 Å²	52.9	17%	0.174	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.1	143.7	170.5	0	0	0	0	0	111.1	M673 T1134 R1135	A671-M673 PolarHBondContact O-N 2.99Å; A671-T1134 WeakPolarHBondContact CB-OG1 3.43Å; A671-R1135 HydrophobicContact CB-CB 3.97Å
672	P	85.1	Confident	90.9	Very high	14 Å²	14	54.9 Å²	54.9	9%	0.091	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-53.2	134.6	169.7	-28.6	36.7	0	0	0	112.7	L674 W812	P672-L674 VanDerWaalsContact C-N 3.32Å; P672-W812 VanDerWaalsContact CG-O 3.3Å; P672-W812 WeakPolarHBondContact CG-O 3.33Å
673	M	79.6	Confident	90.4	Very high	143 Å²	143	58.4 Å²	58.4	70%	0.704	29%	0.287	S	S	*	.	S	Bend	trans	-74.5	-25.2	-179.9	-69.3	-70.6	171.9	0	0	112.8	I670 A671	I670-M673 HydrophobicContact CD1-CE 4.36Å; A671-M673 PolarHBondContact O-N 2.99Å
674	L	84.5	Confident	89.9	Confident	149 Å²	149	57.3 Å²	57.3	78%	0.78	29%	0.287	S	S	*	.	S	Bend	trans	-99.3	143.5	175.3	-64.2	176.5	0	0	0	109.7	P672	P672-L674 VanDerWaalsContact C-N 3.32Å
675	K	88.9	Confident	89.6	Confident	116 Å²	116	57.6 Å²	57.6	50%	0.504	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-79.8	120.4	176.8	-76.7	175.9	152.2	-156.2	0	110.2	L1130	K675-L1130 HydrophobicContact CB-CD1 4.04Å; K675-L1130 HydrophobicContact CB-CD2 4.3Å; K675-L1130 HydrophobicContact CD-CD1 3.72Å; K675-L1130 HydrophobicContact CG-CD1 4.24Å
676	E	93.3	Very high	89.2	Confident	33 Å²	33	57.6 Å²	57.6	15%	0.154	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-83	126	-178.3	-62.7	168.6	124.4	0	0	110.4	R814 L1130 Q1131	E676-R814 HydrophobicContact CB-CG 4.36Å; E676-R814 WeakPolarHBondContact OE1-CB 3.38Å; E676-R814 PolarHBondContact OE1-N 2.99Å; E676-R814 VanDerWaalsContact OE2-CG 3.27Å; E676-R814 WeakPolarHBondContact OE2-CG 3.47Å; E676-L1130 WeakPolarHBondContact O-CA 3.47Å; E676-Q1131 HydrophobicContact CB-CB 4.48Å; E676-Q1131 PolarHBondContact O-N 2.64Å
677	P	95.1	Very high	88.8	Confident	86 Å²	86	55.1 Å²	55.1	56%	0.558	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-72.2	157.8	174.5	31.4	-34.6	0	0	0	111.4	G1129 Q1131	P677-G1129 WeakPolarHBondContact CA-O 3.06Å; P677-Q1131 PolarHBondContact O-NE2 3.32Å
678	L	94.4	Very high	88.7	Confident	33 Å²	33	56.2 Å²	56.2	17%	0.173	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64	137	162.9	-74.2	166.8	0	0	0	109.5	G794 C1120 G1129 Q1131	L678-G794 WeakPolarHBondContact CD2-O 3.16Å; L678-C1120 VanDerWaalsContact CD2-SG 3.56Å; L678-G1129 PolarHBondContact N-O 2.84Å; L678-Q1131 HydrophobicContact CD2-CG 3.74Å; L678-Q1131 HydrophobicContact CG-CG 4.21Å
679	L	93.8	Very high	88.7	Confident	60 Å²	60	56.2 Å²	56.2	31%	0.314	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-67.9	134.6	179.5	-178.4	64.6	0	0	0	111.3	G794 Q796 I819	L679-G794 PolarHBondContact N-O 2.74Å; L679-G794 WeakPolarHBondContact O-CA 3.44Å; L679-Q796 HydrophobicContact CB-CG 3.92Å; L679-Q796 HydrophobicContact CD2-CG 3.93Å; L679-Q796 HydrophobicContact CG-CG 4.49Å; L679-I819 HydrophobicContact CD2-CB 4.22Å; L679-I819 HydrophobicContact CD2-CD1 3.8Å; L679-I819 HydrophobicContact CD2-CG1 3.91Å
680	E	89.3	Confident	88.4	Confident	171 Å²	171	55.7 Å²	55.7	80%	0.799	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-76.2	123.9	172.2	-171.6	175	179.5	0	0	110.5	I682	E680-I682 PolarHBondContact O-N 3.02Å
681	R	85.1	Confident	88.4	Confident	35 Å²	35	54.8 Å²	54.8	13%	0.132	28%	0.282	C	S	.	.			trans	-71.5	111.2	179.6	-179.4	172.1	174.7	-107.2	1	110.4	Y683 V685 N792 F1194 E1196 I1198	R681-Y683 PolarHBondContact O-N 2.9Å; R681-V685 HydrophobicContact CG-CG1 4.16Å; R681-N792 WeakPolarHBondContact CD-O 3.49Å; R681-F1194 HydrophobicContact CB-CE1 4.15Å; R681-E1196 PolarHBondContact NH1-O 3.29Å; R681-I1198 VanDerWaalsContact CZ-CG1 3.48Å
682	I	87.4	Confident	88.5	Confident	96 Å²	96	56.6 Å²	56.6	49%	0.492	29%	0.287	S	S	.	.			trans	-60.4	125.2	178.1	-60.2	171.9	0	0	0	110.1	E680 G684 V685	E680-I682 PolarHBondContact O-N 3.02Å; I682-G684 PolarHBondContact O-N 3.3Å; I682-V685 HydrophobicContact CB-CB 4.25Å; I682-V685 VanDerWaalsContact O-CB 3.31Å; I682-V685 WeakPolarHBondContact O-CB 3.44Å; I682-V685 WeakPolarHBondContact O-CG1 3.5Å; I682-V685 PolarHBondContact O-N 2.69Å; I682-V685 VanDerWaalsContact O-N 3.15Å
683	Y	86	Confident	88.7	Confident	78 Å²	78	56.7 Å²	56.7	31%	0.306	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	130	176.1	178.5	-83.1	0	0	0	111.3	D314 R681 V685 R687 L1195 E1196	D314-Y683 PolarHBondContact OD2-OH 3.36Å; R681-Y683 PolarHBondContact O-N 2.9Å; Y683-V685 VanDerWaalsContact C-N 3.31Å; Y683-V685 PolarHBondContact O-N 2.75Å; Y683-R687 PolarHBondContact OH-NH2 3.4Å; Y683-L1195 HydrophobicContact CD2-CB 4.14Å; Y683-E1196 HydrophobicContact CD2-CB 3.96Å; Y683-E1196 HydrophobicContact CE2-CB 3.78Å
684	G	85.1	Confident	89.2	Confident	14 Å²	14	50.1 Å²	50.1	14%	0.144	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	2.1	179.9	0	0	0	0	0	114.6	I682 Q686 R687 S688 E1196	I682-G684 PolarHBondContact O-N 3.3Å; G684-Q686 PolarHBondContact O-N 3.03Å; G684-R687 WeakPolarHBondContact O-CB 3.36Å; G684-R687 PolarHBondContact O-N 3.47Å; G684-S688 WeakPolarHBondContact O-CB 3.3Å; G684-S688 PolarHBondContact O-N 3.32Å; G684-E1196 WeakPolarHBondContact CA-OE2 3.37Å; G684-E1196 PolarHBondContact N-OE2 2.98Å
685	V	89	Confident	89.5	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-47.5	-178.5	68	0	0	0	0	111.8	R681 I682 Y683 R687 S688 K689 D818 C820	R681-V685 HydrophobicContact CG-CG1 4.16Å; I682-V685 HydrophobicContact CB-CB 4.25Å; I682-V685 VanDerWaalsContact O-CB 3.31Å; I682-V685 WeakPolarHBondContact O-CB 3.44Å; I682-V685 WeakPolarHBondContact O-CG1 3.5Å; I682-V685 PolarHBondContact O-N 2.69Å; I682-V685 VanDerWaalsContact O-N 3.15Å; Y683-V685 VanDerWaalsContact C-N 3.31Å; Y683-V685 PolarHBondContact O-N 2.75Å; V685-R687 VanDerWaalsContact C-N 3.3Å; V685-R687 PolarHBondContact O-N 2.63Å; V685-S688 WeakPolarHBondContact O-CB 3.44Å; V685-S688 PolarHBondContact O-N 2.82Å; V685-K689 WeakPolarHBondContact O-CG 3.34Å; V685-K689 PolarHBondContact O-N 3.46Å; V685-D818 HydrophobicContact CG2-CB 4.48Å; V685-D818 WeakPolarHBondContact CG2-O 3.23Å; V685-C820 HydrophobicContact CG1-CB 4.22Å; V685-C820 HydrophobicContact CG2-CB 4.48Å
686	Q	87.6	Confident	89.5	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.023	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-45.8	178.2	-171	175.6	10	0	0	111.2	G684 K689 I690 C820 D1199	G684-Q686 PolarHBondContact O-N 3.03Å; Q686-K689 PolarHBondContact O-N 3.2Å; Q686-I690 HydrophobicContact CG-CD1 3.93Å; Q686-I690 WeakPolarHBondContact O-CD1 3.03Å; Q686-I690 VanDerWaalsContact O-CG1 3.31Å; Q686-I690 WeakPolarHBondContact O-CG1 3.39Å; Q686-I690 PolarHBondContact O-N 3.32Å; Q686-C820 VanDerWaalsContact CA-SG 3.6Å; Q686-C820 WeakPolarHBondContact CB-SG 3.47Å; Q686-D1199 PolarHBondContact NE2-O 3.3Å; Q686-D1199 VanDerWaalsContact OE1-N 3.13Å
687	R	85.9	Confident	89.3	Confident	16 Å²	16	43.6 Å²	43.6	6%	0.06	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-43.1	178.4	-157.5	-168.5	-52.3	178.5	1.4	111.6	D314 I317 N318 Y683 G684 V685 I690 F691 E1196	D314-R687 IonicContact OD1-CZ 3.77Å; D314-R687 IonicContact OD1-NH1 3.25Å; D314-R687 PolarHBondContact OD1-NH1 2.76Å; D314-R687 IonicContact OD1-NH2 2.72Å; I317-R687 HydrophobicContact CG2-CG 4.47Å; N318-R687 PolarHBondContact OD1-NE 3.4Å; Y683-R687 PolarHBondContact OH-NH2 3.4Å; G684-R687 WeakPolarHBondContact O-CB 3.36Å; G684-R687 PolarHBondContact O-N 3.47Å; V685-R687 VanDerWaalsContact C-N 3.3Å; V685-R687 PolarHBondContact O-N 2.63Å; R687-I690 PolarHBondContact O-N 3.18Å; R687-F691 HydrophobicContact CG-CD2 4.44Å; R687-F691 HydrophobicContact CG-CE2 4.37Å; R687-F691 VanDerWaalsContact O-CD2 3.24Å; R687-F691 WeakPolarHBondContact O-CD2 3.3Å; R687-F691 PolarHBondContact O-N 2.86Å; R687-E1196 IonicContact CZ-OE1 2.63Å; R687-E1196 IonicContact NE-OE1 3.84Å; R687-E1196 PolarHBondContact NE-OE1 2.94Å; R687-E1196 VanDerWaalsContact NE-OE1 3.14Å; R687-E1196 IonicContact NH2-OE1 3.07Å; R687-E1196 PolarHBondContact NH2-OE1 3.36Å
688	S	89.6	Confident	89.1	Confident	53 Å²	53	40.2 Å²	40.2	37%	0.371	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-46.3	176	-172.2	0	0	0	0	111.6	G684 V685 F691 Q692	G684-S688 WeakPolarHBondContact O-CB 3.3Å; G684-S688 PolarHBondContact O-N 3.32Å; V685-S688 WeakPolarHBondContact O-CB 3.44Å; V685-S688 PolarHBondContact O-N 2.82Å; S688-F691 PolarHBondContact O-N 3.11Å; S688-Q692 WeakPolarHBondContact O-CG 3.41Å; S688-Q692 PolarHBondContact O-N 2.88Å
689	K	90.4	Very high	88.8	Confident	4 Å²	4	42 Å²	42	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-43.6	179.2	-58.1	-67.5	166.2	-164.1	0	112	V685 Q686 F691 Q692 D693 D818 Y822 T845	V685-K689 WeakPolarHBondContact O-CG 3.34Å; V685-K689 PolarHBondContact O-N 3.46Å; Q686-K689 PolarHBondContact O-N 3.2Å; K689-F691 VanDerWaalsContact C-N 3.27Å; K689-F691 PolarHBondContact O-N 3.03Å; K689-Q692 PolarHBondContact O-N 2.88Å; K689-Q692 VanDerWaalsContact O-N 3.1Å; K689-D693 PolarHBondContact O-N 3.2Å; K689-D818 WeakPolarHBondContact CE-OD2 3.41Å; K689-D818 IonicContact NZ-OD2 3.82Å; K689-D818 PolarHBondContact NZ-OD2 3.02Å; K689-Y822 HydrophobicContact CB-CE1 4.04Å; K689-T845 HydrophobicContact CB-CG2 4.34Å; K689-T845 HydrophobicContact CD-CG2 3.88Å; K689-T845 HydrophobicContact CG-CG2 3.74Å
690	I	87.9	Confident	88.5	Confident	8 Å²	8	43.3 Å²	43.3	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-55.4	-41.7	171.5	-71.6	160	0	0	0	111.6	R325 Q686 R687 D693 I694 Y822	R325-I690 HydrophobicContact CG-CG2 3.76Å; Q686-I690 HydrophobicContact CG-CD1 3.93Å; Q686-I690 WeakPolarHBondContact O-CD1 3.03Å; Q686-I690 VanDerWaalsContact O-CG1 3.31Å; Q686-I690 WeakPolarHBondContact O-CG1 3.39Å; Q686-I690 PolarHBondContact O-N 3.32Å; R687-I690 PolarHBondContact O-N 3.18Å; I690-D693 PolarHBondContact O-N 3.46Å; I690-I694 HydrophobicContact CG2-CD1 3.8Å; I690-I694 WeakPolarHBondContact O-CD1 3.37Å; I690-I694 VanDerWaalsContact O-CG1 3.27Å; I690-I694 WeakPolarHBondContact O-CG1 3.38Å; I690-I694 PolarHBondContact O-N 3.43Å; I690-Y822 HydrophobicContact CG1-CD2 4.2Å; I690-Y822 HydrophobicContact CG1-CE2 4.46Å
691	F	90.8	Very high	88.4	Confident	9 Å²	9	42.5 Å²	42.5	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-68.8	-37.9	176.9	-90.2	-113.4	0	0	0	112.5	Y301 S304 T305 I317 M324 R687 S688 K689 D693 I694 E695	Y301-F691 AromaticContact CD2-CD1 3.69Å; Y301-F691 HydrophobicContact CD2-CD1 3.69Å; Y301-F691 HydrophobicContact CD2-CE1 4.09Å; Y301-F691 HydrophobicContact CE2-CB 4.32Å; Y301-F691 AromaticContact CE2-CD1 3.7Å; Y301-F691 HydrophobicContact CE2-CD1 3.7Å; Y301-F691 HydrophobicContact CE2-CG 4.41Å; S304-F691 VanDerWaalsContact CB-CZ 3.48Å; T305-F691 HydrophobicContact CG2-CD1 3.8Å; T305-F691 HydrophobicContact CG2-CE1 3.98Å; I317-F691 HydrophobicContact CG2-CE2 4.27Å; I317-F691 HydrophobicContact CG2-CZ 4.08Å; M324-F691 HydrophobicContact CE-CE1 4.07Å; M324-F691 HydrophobicContact CE-CE2 4.03Å; M324-F691 HydrophobicContact CE-CZ 3.59Å; R687-F691 HydrophobicContact CG-CD2 4.44Å; R687-F691 HydrophobicContact CG-CE2 4.37Å; R687-F691 VanDerWaalsContact O-CD2 3.24Å; R687-F691 WeakPolarHBondContact O-CD2 3.3Å; R687-F691 PolarHBondContact O-N 2.86Å; S688-F691 PolarHBondContact O-N 3.11Å; K689-F691 VanDerWaalsContact C-N 3.27Å; K689-F691 PolarHBondContact O-N 3.03Å; F691-D693 VanDerWaalsContact C-N 3.31Å; F691-D693 PolarHBondContact O-N 3.36Å; F691-I694 PolarHBondContact O-N 2.91Å; F691-E695 WeakPolarHBondContact O-CB 3.32Å; F691-E695 PolarHBondContact O-N 3.13Å
692	Q	90.4	Very high	88.5	Confident	59 Å²	59	45.1 Å²	45.1	28%	0.276	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-34	173.9	-69.6	173.5	-12.4	0	0	112.2	S688 K689 E695 R696	S688-Q692 WeakPolarHBondContact O-CG 3.41Å; S688-Q692 PolarHBondContact O-N 2.88Å; K689-Q692 PolarHBondContact O-N 2.88Å; K689-Q692 VanDerWaalsContact O-N 3.1Å; Q692-E695 WeakPolarHBondContact O-CB 3.25Å; Q692-E695 PolarHBondContact O-N 3.28Å; Q692-R696 PolarHBondContact O-N 3Å
693	D	88.4	Confident	88.7	Confident	16 Å²	16	42.3 Å²	42.3	9%	0.086	22%	0.222	C	C	.	.	H	α-helix	trans	-73.1	-37.9	174.9	-68.8	7.9	0	0	0	111.7	K689 I690 F691 E695 R696 R778 Y822	K689-D693 PolarHBondContact O-N 3.2Å; I690-D693 PolarHBondContact O-N 3.46Å; F691-D693 VanDerWaalsContact C-N 3.31Å; F691-D693 PolarHBondContact O-N 3.36Å; D693-E695 VanDerWaalsContact C-N 3.32Å; D693-R696 WeakPolarHBondContact O-CB 3.34Å; D693-R696 PolarHBondContact O-N 3.47Å; D693-R778 IonicContact OD1-NH1 2.73Å; D693-R778 PolarHBondContact OD1-NH1 3.36Å; D693-Y822 PolarHBondContact OD2-OH 3.06Å; D693-Y822 VanDerWaalsContact OD2-OH 3.12Å
694	I	90.6	Very high	89	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-38.6	171.4	-70.2	162.1	0	0	0	111.2	I297 Y301 M324 F328 I690 F691 R696 L697 I698	I297-I694 HydrophobicContact CG2-CG2 3.72Å; Y301-I694 HydrophobicContact CD2-CB 4.44Å; Y301-I694 HydrophobicContact CD2-CG2 3.79Å; Y301-I694 HydrophobicContact CG-CG2 4.45Å; M324-I694 HydrophobicContact CB-CD1 3.64Å; M324-I694 HydrophobicContact CB-CG1 4.41Å; M324-I694 HydrophobicContact CE-CD1 3.94Å; M324-I694 HydrophobicContact SD-CD1 4.17Å; M324-I694 HydrophobicContact SD-CG2 4.21Å; F328-I694 HydrophobicContact CD2-CG1 4.32Å; I690-I694 HydrophobicContact CG2-CD1 3.8Å; I690-I694 WeakPolarHBondContact O-CD1 3.37Å; I690-I694 VanDerWaalsContact O-CG1 3.27Å; I690-I694 WeakPolarHBondContact O-CG1 3.38Å; I690-I694 PolarHBondContact O-N 3.43Å; F691-I694 PolarHBondContact O-N 2.91Å; I694-R696 VanDerWaalsContact C-N 3.27Å; I694-R696 PolarHBondContact O-N 2.97Å; I694-L697 WeakPolarHBondContact O-CB 3.32Å; I694-L697 PolarHBondContact O-N 3.44Å; I694-L697 VanDerWaalsContact O-N 3.13Å; I694-I698 HydrophobicContact CG2-CD1 3.87Å; I694-I698 HydrophobicContact CG2-CG1 4.48Å; I694-I698 PolarHBondContact O-N 3.4Å
695	E	90.9	Very high	89.3	Confident	51 Å²	51	47.4 Å²	47.4	24%	0.238	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-34.7	177.3	-170.8	-169.9	-106.5	0	0	112.2	Y301 F691 Q692 D693 L697 I698 H699 R743	Y301-E695 HydrophobicContact CE2-CB 4.23Å; Y301-E695 PolarHBondContact OH-OE1 3.3Å; Y301-E695 VanDerWaalsContact OH-OE1 3.11Å; F691-E695 WeakPolarHBondContact O-CB 3.32Å; F691-E695 PolarHBondContact O-N 3.13Å; Q692-E695 WeakPolarHBondContact O-CB 3.25Å; Q692-E695 PolarHBondContact O-N 3.28Å; D693-E695 VanDerWaalsContact C-N 3.32Å; E695-L697 PolarHBondContact O-N 2.92Å; E695-I698 PolarHBondContact O-N 3.12Å; E695-I698 VanDerWaalsContact O-N 3.09Å; E695-H699 PolarHBondContact O-N 3.33Å; E695-R743 IonicContact OE2-CZ 3.68Å; E695-R743 VanDerWaalsContact OE2-CZ 3.23Å; E695-R743 IonicContact OE2-NH1 2.6Å; E695-R743 PolarHBondContact OE2-NH1 2.84Å; E695-R743 IonicContact OE2-NH2 2.75Å; E695-R743 PolarHBondContact OE2-NH2 3.35Å
696	R	89.3	Confident	89.5	Confident	37 Å²	37	50.1 Å²	50.1	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-54	-39.2	173.8	-59.6	-178.5	179.8	-171.9	2.4	112.5	Q692 D693 I694 I703 E746 D748 N780	Q692-R696 PolarHBondContact O-N 3Å; D693-R696 WeakPolarHBondContact O-CB 3.34Å; D693-R696 PolarHBondContact O-N 3.47Å; I694-R696 VanDerWaalsContact C-N 3.27Å; I694-R696 PolarHBondContact O-N 2.97Å; R696-I703 HydrophobicContact CB-CD1 3.86Å; R696-I703 HydrophobicContact CG-CD1 3.92Å; R696-E746 IonicContact CZ-OE1 2.73Å; R696-E746 IonicContact NE-OE1 3.24Å; R696-E746 PolarHBondContact NE-OE1 2.69Å; R696-E746 IonicContact NH2-OE1 2.69Å; R696-E746 PolarHBondContact NH2-OE1 2.94Å; R696-D748 IonicContact CZ-OD1 2.76Å; R696-D748 IonicContact CZ-OD2 2.98Å; R696-D748 IonicContact NH1-OD1 3.23Å; R696-D748 IonicContact NH1-OD2 3.33Å; R696-D748 PolarHBondContact NH1-OD2 3.14Å; R696-D748 IonicContact NH2-OD1 3.97Å; R696-D748 PolarHBondContact NH2-OD1 3.43Å; R696-D748 IonicContact NH2-OD2 3.52Å; R696-D748 PolarHBondContact NH2-OD2 2.94Å; R696-N780 PolarHBondContact NH2-ND2 3.25Å
697	L	88.1	Confident	89.8	Confident	74 Å²	74	52.6 Å²	52.6	39%	0.387	28%	0.277	S	S	.	.	H	α-helix	trans	-76.8	-31.3	179.2	180	66.1	0	0	0	112.7	I297 F328 P329 I694 E695	I297-L697 HydrophobicContact CD1-CD2 3.81Å; F328-L697 HydrophobicContact CD2-CD2 3.82Å; F328-L697 HydrophobicContact CE2-CB 3.59Å; F328-L697 HydrophobicContact CE2-CD2 3.66Å; F328-L697 HydrophobicContact CE2-CG 4.24Å; F328-L697 HydrophobicContact CZ-CB 3.93Å; F328-L697 HydrophobicContact CZ-CD2 4.24Å; P329-L697 HydrophobicContact CG-CD1 4.36Å; P329-L697 HydrophobicContact CG-CD2 4.26Å; I694-L697 WeakPolarHBondContact O-CB 3.32Å; I694-L697 PolarHBondContact O-N 3.44Å; I694-L697 VanDerWaalsContact O-N 3.13Å; E695-L697 PolarHBondContact O-N 2.92Å
698	I	90.1	Very high	90.2	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.072	28%	0.277	C	S	.	.	H	α-helix	trans	-79.4	-33.2	-179.7	-60.3	171.8	0	0	0	111	I297 R298 Y301 I694 E695 P700	I297-I698 HydrophobicContact CG2-CD1 4.21Å; I297-I698 HydrophobicContact CG2-CG1 4.27Å; R298-I698 HydrophobicContact CG-CG2 4.21Å; Y301-I698 HydrophobicContact CD1-CD1 3.63Å; Y301-I698 HydrophobicContact CD2-CD1 3.87Å; Y301-I698 HydrophobicContact CE1-CD1 4.28Å; Y301-I698 HydrophobicContact CE2-CD1 4.49Å; Y301-I698 HydrophobicContact CG-CD1 3.39Å; I694-I698 HydrophobicContact CG2-CD1 3.87Å; I694-I698 HydrophobicContact CG2-CG1 4.48Å; I694-I698 PolarHBondContact O-N 3.4Å; E695-I698 PolarHBondContact O-N 3.12Å; E695-I698 VanDerWaalsContact O-N 3.09Å; I698-P700 VanDerWaalsContact C-CD 3.44Å; I698-P700 VanDerWaalsContact O-CD 3.32Å; I698-P700 WeakPolarHBondContact O-CD 3.48Å
699	H	88.8	Confident	90.5	Very high	72 Å²	72	51 Å²	51	33%	0.333	26%	0.264	S	S	.	.			trans	-121.4	66.2	-174.4	-61.2	-94.7	0	0	0	112.2	E695 N701 D702	E695-H699 PolarHBondContact O-N 3.33Å; H699-N701 PolarHBondContact O-N 3.15Å; H699-N701 VanDerWaalsContact O-N 3.15Å; H699-D702 WeakPolarHBondContact CB-OD2 3.49Å; H699-D702 IonicContact CG-OD2 3.99Å; H699-D702 PolarHBondContact O-N 3.07Å; H699-D702 VanDerWaalsContact O-N 3.12Å
700	P	87.2	Confident	90.7	Very high	86 Å²	86	51.5 Å²	51.5	56%	0.558	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-65	-19.4	-176.5	27.4	-36.4	0	0	0	113.9	I698 D702 I703	I698-P700 VanDerWaalsContact C-CD 3.44Å; I698-P700 VanDerWaalsContact O-CD 3.32Å; I698-P700 WeakPolarHBondContact O-CD 3.48Å; P700-D702 PolarHBondContact O-N 3.25Å; P700-I703 PolarHBondContact O-N 2.81Å
701	N	88.8	Confident	90.9	Very high	155 Å²	155	52.3 Å²	52.3	83%	0.829	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-71.3	-16.2	176.6	-64.5	-7.6	0	0	0	113.4	H699 I703	H699-N701 PolarHBondContact O-N 3.15Å; H699-N701 VanDerWaalsContact O-N 3.15Å; N701-I703 VanDerWaalsContact C-N 3.31Å
702	D	87.3	Confident	90.9	Very high	89 Å²	89	54 Å²	54	48%	0.476	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-90	-0.8	179.9	-59	-19	0	0	0	112	H699 P700	H699-D702 WeakPolarHBondContact CB-OD2 3.49Å; H699-D702 IonicContact CG-OD2 3.99Å; H699-D702 PolarHBondContact O-N 3.07Å; H699-D702 VanDerWaalsContact O-N 3.12Å; P700-D702 PolarHBondContact O-N 3.25Å
703	I	91.1	Very high	90.6	Very high	38 Å²	38	55.7 Å²	55.7	20%	0.195	29%	0.288	C	S	.	.			trans	-96	137.2	-176	-55.5	-57.2	0	0	0	110.3	R696 P700 N701 D705 V742 R743	R696-I703 HydrophobicContact CB-CD1 3.86Å; R696-I703 HydrophobicContact CG-CD1 3.92Å; P700-I703 PolarHBondContact O-N 2.81Å; N701-I703 VanDerWaalsContact C-N 3.31Å; I703-D705 HydrophobicContact CG2-CB 4.35Å; I703-D705 WeakPolarHBondContact CG2-OD1 3.44Å; I703-D705 WeakPolarHBondContact CG2-OD2 3.24Å; I703-V742 WeakPolarHBondContact CA-O 3.18Å; I703-R743 HydrophobicContact CD1-CG 3.96Å
704	L	91.9	Very high	89.7	Confident	98 Å²	98	59.4 Å²	59.4	51%	0.513	31%	0.313	S	S	.	.			trans	-106.9	-35.2	-178.2	-62.3	178.5	0	0	0	113.2	K706 Q741 V742	L704-K706 PolarHBondContact O-N 2.75Å; L704-Q741 WeakPolarHBondContact CB-O 3.49Å; L704-Q741 HydrophobicContact CD1-CG 4.36Å; L704-V742 PolarHBondContact N-O 3.31Å
705	D	91.1	Very high	88.1	Confident	101 Å²	101	64.9 Å²	64.9	54%	0.54	35%	0.352	S	S	.	.			trans	39.9	34	-175.4	-67.1	-15.8	0	0	0	115.7	I703 V707 Q741	I703-D705 HydrophobicContact CG2-CB 4.35Å; I703-D705 WeakPolarHBondContact CG2-OD1 3.44Å; I703-D705 WeakPolarHBondContact CG2-OD2 3.24Å; D705-V707 PolarHBondContact O-N 3.01Å; D705-Q741 PolarHBondContact N-O 3.41Å
706	K	93.5	Very high	86.2	Confident	64 Å²	64	65.8 Å²	65.8	28%	0.278	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	112.3	179.1	179.9	-172.5	175.6	-172.6	0	109.3	L704 V708 S724 I740 Q741	L704-K706 PolarHBondContact O-N 2.75Å; K706-V708 HydrophobicContact CD-CG1 4.08Å; K706-V708 HydrophobicContact CG-CG1 4.09Å; K706-V708 PolarHBondContact O-N 3.11Å; K706-S724 PolarHBondContact NZ-OG 2.91Å; K706-I740 CarbonylContact O-C 3.32Å; K706-I740 WeakPolarHBondContact O-CA 3.28Å; K706-Q741 HydrophobicContact CB-CB 4.35Å; K706-Q741 PolarHBondContact N-O 2.98Å; K706-Q741 VanDerWaalsContact N-O 3.13Å; K706-Q741 PolarHBondContact O-N 3.37Å
707	V	94.1	Very high	84.4	Confident	56 Å²	56	73 Å²	73	34%	0.339	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	128.9	165.9	-175.1	0	0	0	0	108.8	D705 D710 K738 I740	D705-V707 PolarHBondContact O-N 3.01Å; V707-D710 HydrophobicContact CG1-CB 3.85Å; V707-K738 HydrophobicContact CG1-CG 4.48Å; V707-I740 HydrophobicContact CG2-CG1 4.37Å
708	V	94	Very high	82.9	Confident	11 Å²	11	72.9 Å²	72.9	7%	0.067	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-10.6	-178.9	-66.9	0	0	0	0	113.5	K706 F727 A739 Q741 Y747	K706-V708 HydrophobicContact CD-CG1 4.08Å; K706-V708 HydrophobicContact CG-CG1 4.09Å; K706-V708 PolarHBondContact O-N 3.11Å; V708-F727 HydrophobicContact CG2-CD2 3.91Å; V708-F727 HydrophobicContact CG2-CE2 3.75Å; V708-A739 HydrophobicContact CG2-CB 3.91Å; V708-A739 WeakPolarHBondContact CG2-O 3.34Å; V708-A739 PolarHBondContact N-O 3.18Å; V708-Q741 HydrophobicContact CG1-CB 4.05Å; V708-Y747 HydrophobicContact CG2-CD1 4.02Å; V708-Y747 HydrophobicContact CG2-CE1 3.97Å
709	Y	95.1	Very high	81.1	Confident	24 Å²	24	79.3 Å²	79.3	9%	0.094	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	136.4	171.6	177	-106.5	0	0	0	108.7	I711 F727 S729 L736 K738 A739	Y709-I711 HydrophobicContact CE1-CD1 4.33Å; Y709-I711 HydrophobicContact CE1-CG1 3.97Å; Y709-F727 HydrophobicContact CD1-CB 4.3Å; Y709-F727 HydrophobicContact CD2-CB 4.38Å; Y709-F727 WeakPolarHBondContact CD2-O 3.11Å; Y709-F727 HydrophobicContact CG-CB 3.96Å; Y709-S729 PolarHBondContact OH-N 2.79Å; Y709-S729 PolarHBondContact OH-OG 2.75Å; Y709-L736 HydrophobicContact CD1-CD2 3.88Å; Y709-L736 HydrophobicContact CD1-CG 4.11Å; Y709-L736 HydrophobicContact CE1-CB 4.32Å; Y709-L736 HydrophobicContact CE1-CD2 4.03Å; Y709-L736 HydrophobicContact CE1-CG 4.03Å; Y709-L736 WeakPolarHBondContact CE1-O 3.36Å; Y709-K738 CarbonylContact O-C 3.53Å; Y709-K738 VanDerWaalsContact O-CA 3.29Å; Y709-K738 WeakPolarHBondContact O-CA 3.32Å; Y709-K738 WeakPolarHBondContact O-CG 3.18Å; Y709-A739 PolarHBondContact N-O 2.96Å; Y709-A739 PolarHBondContact O-N 3.41Å
710	D	94.9	Very high	79.5	Confident	16 Å²	16	83.2 Å²	83.2	9%	0.086	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	111.5	-176.1	-168.6	-53.3	0	0	0	109.5	V707 D712 H713 K738	V707-D710 HydrophobicContact CG1-CB 3.85Å; D710-D712 VanDerWaalsContact C-N 3.32Å; D710-D712 WeakPolarHBondContact OD1-CA 3.44Å; D710-D712 VanDerWaalsContact OD1-CB 3.31Å; D710-D712 WeakPolarHBondContact OD1-CB 3.39Å; D710-D712 PolarHBondContact OD1-N 3.21Å; D710-H713 CarbonylContact O-C 3.51Å; D710-H713 PolarHBondContact O-N 2.86Å; D710-H713 IonicContact OD1-CG 2.66Å; D710-H713 PolarHBondContact OD1-N 2.85Å; D710-H713 IonicContact OD1-ND1 2.68Å; D710-H713 PolarHBondContact OD1-ND1 2.9Å; D710-H713 IonicContact OD2-ND1 3.96Å; D710-K738 HydrophobicContact CB-CG 4.36Å; D710-K738 WeakPolarHBondContact OD2-CD 3.41Å; D710-K738 WeakPolarHBondContact OD2-CE 3.22Å; D710-K738 IonicContact OD2-NZ 3.8Å; D710-K738 PolarHBondContact OD2-NZ 3.06Å
711	I	92.6	Very high	78	Confident	24 Å²	24	84.6 Å²	84.6	12%	0.123	45%	0.451	C	S	.	.	S	Bend	trans	-71	-27.3	178.9	-70.5	-172.8	0	0	0	112	A341 F342 Y709 H713 L736 R737	A341-I711 HydrophobicContact CB-CG2 3.99Å; F342-I711 HydrophobicContact CE1-CG2 3.66Å; F342-I711 HydrophobicContact CZ-CD1 4.2Å; F342-I711 HydrophobicContact CZ-CG2 3.77Å; Y709-I711 HydrophobicContact CE1-CD1 4.33Å; Y709-I711 HydrophobicContact CE1-CG1 3.97Å; I711-H713 PolarHBondContact O-N 2.89Å; I711-L736 WeakPolarHBondContact CD1-O 3.36Å; I711-R737 PolarHBondContact N-O 3.27Å
712	D	89.9	Confident	76.8	Confident	46 Å²	46	80.1 Å²	80.1	25%	0.246	44%	0.442	C	S	.	.	S	Bend	trans	-71.2	-21.8	177.9	-56.3	-88.3	0	0	0	111.7	P336 D710 R737	P336-D712 HydrophobicContact CG-CB 4.28Å; D710-D712 VanDerWaalsContact C-N 3.32Å; D710-D712 WeakPolarHBondContact OD1-CA 3.44Å; D710-D712 VanDerWaalsContact OD1-CB 3.31Å; D710-D712 WeakPolarHBondContact OD1-CB 3.39Å; D710-D712 PolarHBondContact OD1-N 3.21Å; D712-R737 IonicContact OD1-CZ 3.29Å; D712-R737 IonicContact OD1-NE 3.44Å; D712-R737 PolarHBondContact OD1-NE 2.89Å; D712-R737 IonicContact OD1-NH2 3.17Å; D712-R737 PolarHBondContact OD1-NH2 3.43Å; D712-R737 IonicContact OD2-CZ 3.86Å; D712-R737 IonicContact OD2-NE 2.66Å; D712-R737 PolarHBondContact OD2-NE 2.78Å; D712-R737 IonicContact OD2-NH2 3.83Å; D712-R737 PolarHBondContact OD2-NH2 2.7Å
713	H	85.6	Confident	76.5	Confident	94 Å²	94	79.7 Å²	79.7	44%	0.435	44%	0.437	S	S	.	.			trans	-136	60.8	-174.2	-53.7	85	0	0	0	113.8	D710 I711 S715 S716	D710-H713 CarbonylContact O-C 3.51Å; D710-H713 PolarHBondContact O-N 2.86Å; D710-H713 IonicContact OD1-CG 2.66Å; D710-H713 PolarHBondContact OD1-N 2.85Å; D710-H713 IonicContact OD1-ND1 2.68Å; D710-H713 PolarHBondContact OD1-ND1 2.9Å; D710-H713 IonicContact OD2-ND1 3.96Å; I711-H713 PolarHBondContact O-N 2.89Å; H713-S715 PolarHBondContact O-N 3.04Å; H713-S716 VanDerWaalsContact O-CB 3.29Å; H713-S716 WeakPolarHBondContact O-CB 3.35Å; H713-S716 PolarHBondContact O-N 3.37Å; H713-S716 PolarHBondContact O-OG 3Å
714	P	69.6	Low	76.5	Confident	94 Å²	94	79.1 Å²	79.1	61%	0.61	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.5	-175.2	26.9	-36	0	0	0	114.3	S716	P714-S716 PolarHBondContact O-N 3.22Å
715	S	55.7	Low	76.7	Confident	118 Å²	118	74.5 Å²	74.5	83%	0.825	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.2	173.9	-47	0	0	0	0	114	H713 M717	H713-S715 PolarHBondContact O-N 3.04Å; S715-M717 VanDerWaalsContact C-N 3.29Å; S715-M717 PolarHBondContact O-N 3.08Å
716	S	52.9	Low	76.9	Confident	71 Å²	71	75 Å²	75	50%	0.497	41%	0.41	S	S	.	.			trans	-80	64.6	-176.3	-62.4	0	0	0	0	112.9	H713 P714 I718	H713-S716 VanDerWaalsContact O-CB 3.29Å; H713-S716 WeakPolarHBondContact O-CB 3.35Å; H713-S716 PolarHBondContact O-N 3.37Å; H713-S716 PolarHBondContact O-OG 3Å; P714-S716 PolarHBondContact O-N 3.22Å; S716-I718 VanDerWaalsContact O-CD1 3.3Å; S716-I718 WeakPolarHBondContact O-CD1 3.48Å; S716-I718 WeakPolarHBondContact O-CG1 3.46Å; S716-I718 PolarHBondContact O-N 3.3Å
717	M	50.8	Low	77	Confident	187 Å²	187	72.7 Å²	72.7	92%	0.921	40%	0.4	S	S	*	.			trans	-61.7	102.1	170.4	-72.7	-171.7	170.9	0	0	110.4	S715	S715-M717 VanDerWaalsContact C-N 3.29Å; S715-M717 PolarHBondContact O-N 3.08Å
718	I	57.3	Low	77.2	Confident	72 Å²	72	71.1 Å²	71.1	37%	0.369	39%	0.389	S	S	.	.			trans	-74.1	142.7	-178.7	-36.2	89.1	0	0	0	110.4	S716 E720	S716-I718 VanDerWaalsContact O-CD1 3.3Å; S716-I718 WeakPolarHBondContact O-CD1 3.48Å; S716-I718 WeakPolarHBondContact O-CG1 3.46Å; S716-I718 PolarHBondContact O-N 3.3Å; I718-E720 PolarHBondContact O-N 3.02Å
719	E	51.8	Low	77.3	Confident	149 Å²	149	70.7 Å²	70.7	70%	0.696	39%	0.387	S	S	*	.			trans	-56.3	128.4	178.8	-62.1	-178.6	153	0	0	112.1	N721	E719-N721 PolarHBondContact O-N 3.27Å
720	E	53.8	Low	77.3	Confident	155 Å²	155	73.6 Å²	73.6	72%	0.724	40%	0.401	S	S	*	.			trans	-75.5	55.6	-176.5	-67.8	-148.6	110.8	0	0	113.8	I718 G722 K726	I718-E720 PolarHBondContact O-N 3.02Å; E720-G722 PolarHBondContact O-N 2.97Å; E720-K726 WeakPolarHBondContact OE1-CE 3.32Å; E720-K726 IonicContact OE1-NZ 3.97Å; E720-K726 PolarHBondContact OE1-NZ 3Å
721	N	56	Low	77.4	Confident	114 Å²	114	72.9 Å²	72.9	61%	0.61	40%	0.397	S	S	*	.			trans	-73.7	18.4	177.2	-69.6	-34.5	0	0	0	114.2	E719 E723	E719-N721 PolarHBondContact O-N 3.27Å; N721-E723 WeakPolarHBondContact O-CG 3.39Å; N721-E723 PolarHBondContact O-N 3.03Å
722	G	63.2	Low	77.7	Confident	62 Å²	62	72.4 Å²	72.4	64%	0.639	40%	0.395	S	S	*	.	S	Bend	trans	60.4	5.7	168.2	0	0	0	0	0	118.6	E720 R772	E720-G722 PolarHBondContact O-N 2.97Å; G722-R772 PolarHBondContact O-NH2 2.75Å
723	E	81.3	Confident	78.1	Confident	80 Å²	80	70.4 Å²	70.4	37%	0.374	38%	0.384	S	S	.	.			trans	-111.9	-14.3	-173	-68.5	-103.6	111.8	0	0	114.5	N721 K744 R772	N721-E723 WeakPolarHBondContact O-CG 3.39Å; N721-E723 PolarHBondContact O-N 3.03Å; E723-K744 IonicContact OE1-NZ 3.32Å; E723-K744 WeakPolarHBondContact OE2-CE 3.35Å; E723-K744 IonicContact OE2-NZ 3.51Å; E723-K744 PolarHBondContact OE2-NZ 3.22Å; E723-R772 IonicContact OE1-CZ 3.38Å; E723-R772 IonicContact OE1-NH1 3.19Å; E723-R772 PolarHBondContact OE1-NH1 2.98Å; E723-R772 IonicContact OE1-NH2 2.75Å; E723-R772 PolarHBondContact OE1-NH2 3.5Å
724	S	91.8	Very high	78.7	Confident	25 Å²	25	66 Å²	66	18%	0.175	37%	0.365	C	S	.	.	S	Bend	trans	-96.7	146	-179.7	-58.5	0	0	0	0	111.7	K706 Q741	K706-S724 PolarHBondContact NZ-OG 2.91Å; S724-Q741 PolarHBondContact OG-OE1 2.7Å
725	L	95.1	Very high	80	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-65.7	145.1	162.6	-66.9	179.1	0	0	0	110.2	F727 Y747 V768 M771 Y777 F779	L725-F727 HydrophobicContact CB-CD2 4.41Å; L725-F727 HydrophobicContact CB-CE2 3.72Å; L725-F727 HydrophobicContact CB-CZ 4.18Å; L725-F727 HydrophobicContact CD1-CZ 4.2Å; L725-Y747 HydrophobicContact CB-CE1 3.95Å; L725-Y747 HydrophobicContact CB-CE2 4.48Å; L725-Y747 HydrophobicContact CD1-CD2 4.05Å; L725-Y747 HydrophobicContact CD1-CE1 4.45Å; L725-Y747 HydrophobicContact CD1-CE2 3.74Å; L725-Y747 HydrophobicContact CG-CE1 4.38Å; L725-Y747 HydrophobicContact CG-CE2 4.02Å; L725-Y747 PolarHBondContact N-OH 2.94Å; L725-V768 HydrophobicContact CB-CG1 4.34Å; L725-V768 HydrophobicContact CD1-CG1 3.87Å; L725-V768 HydrophobicContact CD2-CG1 4.08Å; L725-V768 HydrophobicContact CG-CG1 4.33Å; L725-M771 HydrophobicContact CD2-CB 3.8Å; L725-Y777 HydrophobicContact CD1-CD1 3.54Å; L725-Y777 HydrophobicContact CD1-CE1 3.94Å; L725-Y777 HydrophobicContact CD1-CG 4.12Å; L725-Y777 HydrophobicContact CD2-CD1 4.14Å; L725-Y777 HydrophobicContact CD2-CE1 3.72Å; L725-Y777 HydrophobicContact CG-CD1 3.85Å; L725-Y777 HydrophobicContact CG-CE1 3.7Å; L725-F779 HydrophobicContact CD1-CE1 3.74Å; L725-F779 HydrophobicContact CD1-CZ 3.74Å
726	K	95.3	Very high	82.1	Confident	111 Å²	111	56.3 Å²	56.3	48%	0.483	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.4	166.8	-63.5	-176.6	177.4	-174.4	0	109	E720 V768 S769	E720-K726 WeakPolarHBondContact OE1-CE 3.32Å; E720-K726 IonicContact OE1-NZ 3.97Å; E720-K726 PolarHBondContact OE1-NZ 3Å; K726-V768 WeakPolarHBondContact O-CA 3.27Å; K726-S769 PolarHBondContact N-O 3.01Å; K726-S769 PolarHBondContact O-N 2.69Å
727	F	97.1	Very high	84.1	Confident	16 Å²	16	53.1 Å²	53.1	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.1	178.9	-62.2	-106	0	0	0	110.2	V708 Y709 L725 L736 A739 Y747 L749 F766 E767 V768 F779	V708-F727 HydrophobicContact CG2-CD2 3.91Å; V708-F727 HydrophobicContact CG2-CE2 3.75Å; Y709-F727 HydrophobicContact CD1-CB 4.3Å; Y709-F727 HydrophobicContact CD2-CB 4.38Å; Y709-F727 WeakPolarHBondContact CD2-O 3.11Å; Y709-F727 HydrophobicContact CG-CB 3.96Å; L725-F727 HydrophobicContact CB-CD2 4.41Å; L725-F727 HydrophobicContact CB-CE2 3.72Å; L725-F727 HydrophobicContact CB-CZ 4.18Å; L725-F727 HydrophobicContact CD1-CZ 4.2Å; F727-L736 HydrophobicContact CB-CD2 4.06Å; F727-L736 HydrophobicContact CD1-CD2 3.83Å; F727-L736 HydrophobicContact CG-CD2 4.28Å; F727-A739 HydrophobicContact CD1-CB 4.15Å; F727-A739 HydrophobicContact CD2-CB 3.78Å; F727-A739 HydrophobicContact CE1-CB 4.21Å; F727-A739 HydrophobicContact CE2-CB 3.86Å; F727-A739 HydrophobicContact CG-CB 3.95Å; F727-A739 HydrophobicContact CZ-CB 4.07Å; F727-Y747 AromaticContact CE2-CD1 3.56Å; F727-Y747 HydrophobicContact CE2-CD1 3.56Å; F727-Y747 AromaticContact CE2-CE1 3.82Å; F727-Y747 HydrophobicContact CE2-CE1 3.82Å; F727-Y747 HydrophobicContact CE2-CG 4.34Å; F727-Y747 AromaticContact CZ-CD1 3.61Å; F727-Y747 HydrophobicContact CZ-CD1 3.61Å; F727-Y747 HydrophobicContact CZ-CE1 4.2Å; F727-Y747 AromaticContact CZ-CG 3.93Å; F727-Y747 HydrophobicContact CZ-CG 3.93Å; F727-L749 HydrophobicContact CD1-CD2 4.4Å; F727-L749 HydrophobicContact CE1-CD2 3.74Å; F727-L749 HydrophobicContact CZ-CD2 4.08Å; F727-F766 HydrophobicContact CD1-CD2 4.07Å; F727-F766 HydrophobicContact CD1-CE2 4.19Å; F727-F766 HydrophobicContact CE1-CE2 4.23Å; F727-E767 VanDerWaalsContact CA-O 3.29Å; F727-E767 WeakPolarHBondContact CA-O 3.45Å; F727-V768 HydrophobicContact CD1-CG2 3.78Å; F727-V768 HydrophobicContact CE1-CG2 3.81Å; F727-F779 HydrophobicContact CE1-CD1 4.23Å; F727-F779 AromaticContact CE1-CE1 3.86Å; F727-F779 HydrophobicContact CE1-CE1 3.86Å; F727-F779 HydrophobicContact CZ-CD1 4.35Å; F727-F779 AromaticContact CZ-CE1 3.86Å; F727-F779 HydrophobicContact CZ-CE1 3.86Å
728	N	96.9	Very high	86.4	Confident	23 Å²	23	45.3 Å²	45.3	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	150.9	172.5	-178.9	22.9	0	0	0	110.9	E660 Q730 F766 E767	E660-N728 PolarHBondContact OE2-ND2 3.12Å; N728-Q730 PolarHBondContact OD1-N 3.01Å; N728-F766 CarbonylContact O-C 3.53Å; N728-F766 WeakPolarHBondContact O-CA 3.44Å; N728-F766 WeakPolarHBondContact O-CB 3.27Å; N728-E767 HydrophobicContact CB-CB 4.07Å; N728-E767 PolarHBondContact N-O 2.9Å; N728-E767 PolarHBondContact O-N 3.5Å
729	S	97.1	Very high	88.3	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.014	22%	0.219	C	C	.	.			trans	-150.7	22.9	169.6	74.6	0	0	0	0	113	Y709 F731 L736	Y709-S729 PolarHBondContact OH-N 2.79Å; Y709-S729 PolarHBondContact OH-OG 2.75Å; S729-F731 PolarHBondContact O-N 2.96Å; S729-F731 VanDerWaalsContact O-N 3.07Å; S729-L736 PolarHBondContact OG-N 2.9Å; S729-L736 PolarHBondContact OG-O 2.81Å
730	Q	95.8	Very high	90.4	Very high	84 Å²	84	35.4 Å²	35.4	39%	0.393	19%	0.189	S	C	.	.			trans	-87.4	48.1	-173.8	-58	-169	21.3	0	0	112.5	Y658 N728	Y658-Q730 HydrophobicContact CD1-CB 4.32Å; Y658-Q730 VanDerWaalsContact CD1-O 3.26Å; Y658-Q730 WeakPolarHBondContact CD1-O 3.36Å; N728-Q730 PolarHBondContact OD1-N 3.01Å
731	F	97.1	Very high	92.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-139.7	166.7	-176.4	48.1	-108.6	0	0	0	111.3	Y658 E660 A662 S729 S733 G734 Y765 E767 Y858	Y658-F731 WeakPolarHBondContact CE2-O 3.47Å; E660-F731 WeakPolarHBondContact O-CB 3.26Å; A662-F731 HydrophobicContact CB-CB 4.49Å; A662-F731 HydrophobicContact CB-CD1 4.22Å; A662-F731 HydrophobicContact CB-CD2 3.79Å; A662-F731 HydrophobicContact CB-CE1 4.36Å; A662-F731 HydrophobicContact CB-CE2 3.95Å; A662-F731 HydrophobicContact CB-CG 3.92Å; A662-F731 HydrophobicContact CB-CZ 4.23Å; S729-F731 PolarHBondContact O-N 2.96Å; S729-F731 VanDerWaalsContact O-N 3.07Å; F731-S733 PolarHBondContact O-N 3.48Å; F731-G734 WeakPolarHBondContact O-CA 3.48Å; F731-G734 PolarHBondContact O-N 3.17Å; F731-Y765 HydrophobicContact CD2-CD1 4.45Å; F731-Y765 HydrophobicContact CD2-CE1 4.25Å; F731-Y765 AromaticContact CE2-CD1 3.83Å; F731-Y765 HydrophobicContact CE2-CD1 3.83Å; F731-Y765 HydrophobicContact CE2-CD2 4.06Å; F731-Y765 AromaticContact CE2-CE1 3.8Å; F731-Y765 HydrophobicContact CE2-CE1 3.8Å; F731-Y765 HydrophobicContact CE2-CE2 4Å; F731-Y765 AromaticContact CE2-CG 3.97Å; F731-Y765 HydrophobicContact CE2-CG 3.97Å; F731-Y765 AromaticContact CE2-CZ 3.9Å; F731-Y765 HydrophobicContact CZ-CD2 4.43Å; F731-Y765 HydrophobicContact CZ-CE2 4.37Å; F731-E767 HydrophobicContact CE1-CB 4.24Å; F731-Y858 HydrophobicContact CE1-CD1 4.45Å; F731-Y858 HydrophobicContact CE1-CE1 4.05Å; F731-Y858 HydrophobicContact CZ-CD1 4.09Å; F731-Y858 HydrophobicContact CZ-CE1 4.14Å
732	E	97.6	Very high	94.3	Very high	15 Å²	15	23.2 Å²	23.2	7%	0.07	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	132.8	-177.9	-166.7	177.6	156.5	0	0	112.6	G734 T866 Y867 S868 V979	E732-G734 PolarHBondContact O-N 2.93Å; E732-G734 VanDerWaalsContact O-N 3.14Å; E732-T866 HydrophobicContact CG-CG2 4.37Å; E732-T866 VanDerWaalsContact OE1-CB 3.29Å; E732-T866 WeakPolarHBondContact OE1-CB 3.47Å; E732-Y867 WeakPolarHBondContact OE1-CA 3.33Å; E732-Y867 WeakPolarHBondContact OE1-CB 3Å; E732-Y867 PolarHBondContact OE1-N 3.06Å; E732-S868 PolarHBondContact OE1-N 3.45Å; E732-S868 WeakPolarHBondContact OE2-CB 3.4Å; E732-S868 PolarHBondContact OE2-OG 3.4Å; E732-V979 HydrophobicContact CG-CB 4.37Å; E732-V979 HydrophobicContact CG-CG1 4.24Å; E732-V979 HydrophobicContact CG-CG2 4.35Å
733	S	97.9	Very high	95.7	Very high	3 Å²	3	22 Å²	22	2%	0.021	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	4.3	-172.5	-57.6	0	0	0	0	116.2	F731 W763 V978 V979	F731-S733 PolarHBondContact O-N 3.48Å; S733-W763 PolarHBondContact O-NE1 2.86Å; S733-V978 VanDerWaalsContact CA-O 3.27Å; S733-V978 WeakPolarHBondContact CA-O 3.47Å; S733-V978 WeakPolarHBondContact CB-O 3.44Å; S733-V978 PolarHBondContact OG-O 3.49Å; S733-V979 PolarHBondContact N-O 3.12Å
734	G	98.1	Very high	96.2	Very high	3 Å²	3	22.5 Å²	22.5	3%	0.031	11%	0.106	C	C	.	.			trans	-64	137.4	175.9	0	0	0	0	0	112.9	F731 E732 Y765	F731-G734 WeakPolarHBondContact O-CA 3.48Å; F731-G734 PolarHBondContact O-N 3.17Å; E732-G734 PolarHBondContact O-N 2.93Å; E732-G734 VanDerWaalsContact O-N 3.14Å; G734-Y765 CarbonylContact C-O 3.32Å; G734-Y765 WeakPolarHBondContact CA-O 3.44Å
735	N	98.3	Very high	96.4	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-148.6	106.9	170.9	-171.4	-30.1	0	0	0	111.3	N752 Y765 G981	N735-N752 PolarHBondContact ND2-O 2.75Å; N735-N752 VanDerWaalsContact ND2-O 3.08Å; N735-N752 PolarHBondContact OD1-N 2.91Å; N735-Y765 PolarHBondContact N-O 2.95Å; N735-Y765 PolarHBondContact O-N 3.23Å; N735-G981 WeakPolarHBondContact CB-O 3.5Å; N735-G981 PolarHBondContact ND2-O 2.85Å
736	L	98.1	Very high	96.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	11%	0.114	C	C	.	.			trans	-155.1	129.8	157.9	173.8	67.8	0	0	0	105.8	Y709 I711 F727 S729 A739 L749 F766	Y709-L736 HydrophobicContact CD1-CD2 3.88Å; Y709-L736 HydrophobicContact CD1-CG 4.11Å; Y709-L736 HydrophobicContact CE1-CB 4.32Å; Y709-L736 HydrophobicContact CE1-CD2 4.03Å; Y709-L736 HydrophobicContact CE1-CG 4.03Å; Y709-L736 WeakPolarHBondContact CE1-O 3.36Å; I711-L736 WeakPolarHBondContact CD1-O 3.36Å; F727-L736 HydrophobicContact CB-CD2 4.06Å; F727-L736 HydrophobicContact CD1-CD2 3.83Å; F727-L736 HydrophobicContact CG-CD2 4.28Å; S729-L736 PolarHBondContact OG-N 2.9Å; S729-L736 PolarHBondContact OG-O 2.81Å; L736-A739 HydrophobicContact CD2-CB 4.5Å; L736-L749 HydrophobicContact CD1-CB 3.92Å; L736-L749 HydrophobicContact CD1-CD2 4.31Å; L736-L749 HydrophobicContact CD1-CG 4.49Å; L736-F766 HydrophobicContact CB-CB 3.77Å; L736-F766 HydrophobicContact CB-CD1 4.16Å; L736-F766 HydrophobicContact CB-CG 4.14Å; L736-F766 HydrophobicContact CD2-CB 3.95Å; L736-F766 HydrophobicContact CD2-CD1 4.4Å; L736-F766 HydrophobicContact CD2-CD2 4.08Å; L736-F766 HydrophobicContact CD2-CG 3.91Å; L736-F766 HydrophobicContact CG-CB 4.49Å
737	R	96.6	Very high	96.6	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.015	9%	0.092	C	C	.	.			trans	-89.6	-41.5	177.7	-175.2	178.3	-179.3	158.6	11.2	112.3	T337 K339 A341 I711 D712 V750 N752	T337-R737 PolarHBondContact O-NH1 3.19Å; T337-R737 VanDerWaalsContact O-NH1 3.08Å; K339-R737 PolarHBondContact O-NH1 3.14Å; K339-R737 PolarHBondContact O-NH2 3.48Å; A341-R737 HydrophobicContact CB-CG 4.27Å; I711-R737 PolarHBondContact N-O 3.27Å; D712-R737 IonicContact OD1-CZ 3.29Å; D712-R737 IonicContact OD1-NE 3.44Å; D712-R737 PolarHBondContact OD1-NE 2.89Å; D712-R737 IonicContact OD1-NH2 3.17Å; D712-R737 PolarHBondContact OD1-NH2 3.43Å; D712-R737 IonicContact OD2-CZ 3.86Å; D712-R737 IonicContact OD2-NE 2.66Å; D712-R737 PolarHBondContact OD2-NE 2.78Å; D712-R737 IonicContact OD2-NH2 3.83Å; D712-R737 PolarHBondContact OD2-NH2 2.7Å; R737-V750 WeakPolarHBondContact CA-O 3.29Å; R737-V750 WeakPolarHBondContact CB-O 3.33Å; R737-V750 PolarHBondContact N-O 3.25Å; R737-N752 HydrophobicContact CB-CB 4.08Å
738	K	97.3	Very high	96.6	Very high	22 Å²	22	19.9 Å²	19.9	10%	0.096	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	144	-170.1	-166.6	169.8	-175.3	149	0	112.1	P334 V335 V707 Y709 D710 I740 L749 V750	P334-K738 WeakPolarHBondContact O-CD 3.45Å; P334-K738 VanDerWaalsContact O-CE 3.31Å; P334-K738 WeakPolarHBondContact O-CE 3.22Å; P334-K738 PolarHBondContact O-NZ 2.69Å; V335-K738 HydrophobicContact CG1-CD 4.36Å; V707-K738 HydrophobicContact CG1-CG 4.48Å; Y709-K738 CarbonylContact O-C 3.53Å; Y709-K738 VanDerWaalsContact O-CA 3.29Å; Y709-K738 WeakPolarHBondContact O-CA 3.32Å; Y709-K738 WeakPolarHBondContact O-CG 3.18Å; D710-K738 HydrophobicContact CB-CG 4.36Å; D710-K738 WeakPolarHBondContact OD2-CD 3.41Å; D710-K738 WeakPolarHBondContact OD2-CE 3.22Å; D710-K738 IonicContact OD2-NZ 3.8Å; D710-K738 PolarHBondContact OD2-NZ 3.06Å; K738-I740 HydrophobicContact CD-CD1 4.36Å; K738-I740 HydrophobicContact CG-CG1 4.24Å; K738-L749 WeakPolarHBondContact O-CA 3.37Å; K738-V750 HydrophobicContact CB-CB 4.2Å; K738-V750 HydrophobicContact CB-CG2 4.42Å; K738-V750 PolarHBondContact N-O 2.51Å; K738-V750 PolarHBondContact O-N 2.73Å
739	A	97.9	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.5	170.4	0	0	0	0	0	110.9	V708 Y709 F727 L736 L749	V708-A739 HydrophobicContact CG2-CB 3.91Å; V708-A739 WeakPolarHBondContact CG2-O 3.34Å; V708-A739 PolarHBondContact N-O 3.18Å; Y709-A739 PolarHBondContact N-O 2.96Å; Y709-A739 PolarHBondContact O-N 3.41Å; F727-A739 HydrophobicContact CD1-CB 4.15Å; F727-A739 HydrophobicContact CD2-CB 3.78Å; F727-A739 HydrophobicContact CE1-CB 4.21Å; F727-A739 HydrophobicContact CE2-CB 3.86Å; F727-A739 HydrophobicContact CG-CB 3.95Å; F727-A739 HydrophobicContact CZ-CB 4.07Å; L736-A739 HydrophobicContact CD2-CB 4.5Å; A739-L749 HydrophobicContact CB-CD2 3.47Å; A739-L749 VanDerWaalsContact CB-CD2 3.47Å
740	I	96.7	Very high	96.7	Very high	14 Å²	14	18.8 Å²	18.8	7%	0.072	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.4	-176.3	-53.2	177.8	0	0	0	108.5	P334 K706 V707 K738 V742 Y747 D748	P334-I740 HydrophobicContact CB-CD1 3.57Å; P334-I740 HydrophobicContact CG-CD1 3.49Å; P334-I740 VanDerWaalsContact CG-CD1 3.49Å; K706-I740 CarbonylContact O-C 3.32Å; K706-I740 WeakPolarHBondContact O-CA 3.28Å; V707-I740 HydrophobicContact CG2-CG1 4.37Å; K738-I740 HydrophobicContact CD-CD1 4.36Å; K738-I740 HydrophobicContact CG-CG1 4.24Å; I740-V742 HydrophobicContact CB-CG1 4.39Å; I740-V742 HydrophobicContact CG2-CG1 3.97Å; I740-V742 PolarHBondContact O-N 2.84Å; I740-Y747 CarbonylContact O-C 3.52Å; I740-Y747 VanDerWaalsContact O-CA 3.26Å; I740-Y747 WeakPolarHBondContact O-CA 3.35Å; I740-D748 PolarHBondContact N-O 3.31Å; I740-D748 PolarHBondContact O-N 3.23Å
741	Q	96.4	Very high	96.8	Very high	8 Å²	8	14.8 Å²	14.8	4%	0.037	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	90.7	171.7	-172.6	176.6	14	0	0	108.7	L704 D705 K706 V708 S724 R743 K744 E746 Y747	L704-Q741 WeakPolarHBondContact CB-O 3.49Å; L704-Q741 HydrophobicContact CD1-CG 4.36Å; D705-Q741 PolarHBondContact N-O 3.41Å; K706-Q741 HydrophobicContact CB-CB 4.35Å; K706-Q741 PolarHBondContact N-O 2.98Å; K706-Q741 VanDerWaalsContact N-O 3.13Å; K706-Q741 PolarHBondContact O-N 3.37Å; V708-Q741 HydrophobicContact CG1-CB 4.05Å; S724-Q741 PolarHBondContact OG-OE1 2.7Å; Q741-R743 WeakPolarHBondContact CG-O 3.45Å; Q741-K744 PolarHBondContact NE2-O 3.47Å; Q741-E746 CarbonylContact C-O 3.48Å; Q741-E746 WeakPolarHBondContact CA-O 3.39Å; Q741-Y747 HydrophobicContact CB-CD1 3.92Å; Q741-Y747 HydrophobicContact CB-CE1 3.55Å; Q741-Y747 VanDerWaalsContact CD-OH 3.28Å; Q741-Y747 HydrophobicContact CG-CD1 4.35Å; Q741-Y747 HydrophobicContact CG-CE1 3.73Å; Q741-Y747 HydrophobicContact CG-CE2 4.26Å; Q741-Y747 PolarHBondContact NE2-OH 3.21Å; Q741-Y747 VanDerWaalsContact NE2-OH 3.13Å
742	V	94.4	Very high	96.8	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.03	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-30.6	-177.5	-63	0	0	0	0	112.3	I703 L704 I740 E746 D748	I703-V742 WeakPolarHBondContact CA-O 3.18Å; L704-V742 PolarHBondContact N-O 3.31Å; I740-V742 HydrophobicContact CB-CG1 4.39Å; I740-V742 HydrophobicContact CG2-CG1 3.97Å; I740-V742 PolarHBondContact O-N 2.84Å; V742-E746 HydrophobicContact CG2-CB 4.01Å; V742-E746 HydrophobicContact CG2-CG 3.67Å; V742-E746 PolarHBondContact N-O 3.46Å; V742-D748 HydrophobicContact CG1-CB 3.87Å
743	R	93.6	Very high	96.6	Very high	35 Å²	35	14.5 Å²	14.5	13%	0.132	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	171.1	169	-59.3	178.7	156	178.4	-11.6	109.6	E695 I703 Q741 Y745 E746	E695-R743 IonicContact OE2-CZ 3.68Å; E695-R743 VanDerWaalsContact OE2-CZ 3.23Å; E695-R743 IonicContact OE2-NH1 2.6Å; E695-R743 PolarHBondContact OE2-NH1 2.84Å; E695-R743 IonicContact OE2-NH2 2.75Å; E695-R743 PolarHBondContact OE2-NH2 3.35Å; I703-R743 HydrophobicContact CD1-CG 3.96Å; Q741-R743 WeakPolarHBondContact CG-O 3.45Å; R743-Y745 VanDerWaalsContact C-N 3.28Å; R743-Y745 PolarHBondContact O-N 3.16Å; R743-E746 HydrophobicContact CB-CB 3.87Å; R743-E746 PolarHBondContact N-O 3.39Å; R743-E746 PolarHBondContact O-N 3.4Å; R743-E746 VanDerWaalsContact O-O 3.1Å
744	K	91.9	Very high	96.5	Very high	92 Å²	92	14.3 Å²	14.3	40%	0.4	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-44	-170.1	-171.6	168.3	-172.8	159.5	0	114.8	E723 Q741	E723-K744 IonicContact OE1-NZ 3.32Å; E723-K744 WeakPolarHBondContact OE2-CE 3.35Å; E723-K744 IonicContact OE2-NZ 3.51Å; E723-K744 PolarHBondContact OE2-NZ 3.22Å; Q741-K744 PolarHBondContact NE2-O 3.47Å
745	Y	94.6	Very high	96.4	Very high	79 Å²	79	14.2 Å²	14.2	31%	0.31	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	32.6	177.4	-52.1	-56	0	0	0	112.3	R743 T775 Y777 R778	R743-Y745 VanDerWaalsContact C-N 3.28Å; R743-Y745 PolarHBondContact O-N 3.16Å; Y745-T775 HydrophobicContact CD1-CG2 3.68Å; Y745-T775 HydrophobicContact CD2-CG2 3.94Å; Y745-T775 HydrophobicContact CE1-CG2 3.73Å; Y745-T775 HydrophobicContact CE2-CG2 3.96Å; Y745-T775 HydrophobicContact CG-CG2 3.8Å; Y745-Y777 HydrophobicContact CD1-CD1 4.26Å; Y745-Y777 AromaticContact CD1-CE1 3.77Å; Y745-Y777 HydrophobicContact CD1-CE1 3.77Å; Y745-Y777 WeakPolarHBondContact O-CA 3.36Å; Y745-R778 PolarHBondContact O-N 3.16Å
746	E	96.5	Very high	96.1	Very high	13 Å²	13	14.2 Å²	14.2	6%	0.061	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.9	-176.5	-169.4	175.8	150.3	0	0	111.2	R696 Q741 V742 R743 R778 N780	R696-E746 IonicContact CZ-OE1 2.73Å; R696-E746 IonicContact NE-OE1 3.24Å; R696-E746 PolarHBondContact NE-OE1 2.69Å; R696-E746 IonicContact NH2-OE1 2.69Å; R696-E746 PolarHBondContact NH2-OE1 2.94Å; Q741-E746 CarbonylContact C-O 3.48Å; Q741-E746 WeakPolarHBondContact CA-O 3.39Å; V742-E746 HydrophobicContact CG2-CB 4.01Å; V742-E746 HydrophobicContact CG2-CG 3.67Å; V742-E746 PolarHBondContact N-O 3.46Å; R743-E746 HydrophobicContact CB-CB 3.87Å; R743-E746 PolarHBondContact N-O 3.39Å; R743-E746 PolarHBondContact O-N 3.4Å; R743-E746 VanDerWaalsContact O-O 3.1Å; E746-R778 CarbonylContact C-O 3.55Å; E746-R778 WeakPolarHBondContact CA-O 3.38Å; E746-R778 HydrophobicContact CG-CB 4.1Å; E746-R778 HydrophobicContact CG-CG 4.09Å; E746-R778 IonicContact OE1-CZ 2.94Å; E746-R778 IonicContact OE1-NE 3.69Å; E746-R778 PolarHBondContact OE1-NE 2.86Å; E746-R778 IonicContact OE1-NH1 2.69Å; E746-R778 IonicContact OE1-NH2 2.67Å; E746-R778 PolarHBondContact OE1-NH2 3.23Å; E746-R778 IonicContact OE2-CZ 3.84Å; E746-R778 VanDerWaalsContact OE2-CZ 3.29Å; E746-R778 IonicContact OE2-NE 3.17Å; E746-R778 PolarHBondContact OE2-NE 3.1Å; E746-R778 VanDerWaalsContact OE2-NE 3.17Å; E746-R778 IonicContact OE2-NH2 3.43Å; E746-R778 PolarHBondContact OE2-NH2 3.23Å; E746-N780 PolarHBondContact OE1-ND2 2.95Å
747	Y	97.9	Very high	95.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.6	-171.9	-65.2	-100.9	0	0	0	110.5	V708 L725 F727 I740 Q741 Y777 R778 F779 N780	V708-Y747 HydrophobicContact CG2-CD1 4.02Å; V708-Y747 HydrophobicContact CG2-CE1 3.97Å; L725-Y747 HydrophobicContact CB-CE1 3.95Å; L725-Y747 HydrophobicContact CB-CE2 4.48Å; L725-Y747 HydrophobicContact CD1-CD2 4.05Å; L725-Y747 HydrophobicContact CD1-CE1 4.45Å; L725-Y747 HydrophobicContact CD1-CE2 3.74Å; L725-Y747 HydrophobicContact CG-CE1 4.38Å; L725-Y747 HydrophobicContact CG-CE2 4.02Å; L725-Y747 PolarHBondContact N-OH 2.94Å; F727-Y747 AromaticContact CE2-CD1 3.56Å; F727-Y747 HydrophobicContact CE2-CD1 3.56Å; F727-Y747 AromaticContact CE2-CE1 3.82Å; F727-Y747 HydrophobicContact CE2-CE1 3.82Å; F727-Y747 HydrophobicContact CE2-CG 4.34Å; F727-Y747 AromaticContact CZ-CD1 3.61Å; F727-Y747 HydrophobicContact CZ-CD1 3.61Å; F727-Y747 HydrophobicContact CZ-CE1 4.2Å; F727-Y747 AromaticContact CZ-CG 3.93Å; F727-Y747 HydrophobicContact CZ-CG 3.93Å; I740-Y747 CarbonylContact O-C 3.52Å; I740-Y747 VanDerWaalsContact O-CA 3.26Å; I740-Y747 WeakPolarHBondContact O-CA 3.35Å; Q741-Y747 HydrophobicContact CB-CD1 3.92Å; Q741-Y747 HydrophobicContact CB-CE1 3.55Å; Q741-Y747 VanDerWaalsContact CD-OH 3.28Å; Q741-Y747 HydrophobicContact CG-CD1 4.35Å; Q741-Y747 HydrophobicContact CG-CE1 3.73Å; Q741-Y747 HydrophobicContact CG-CE2 4.26Å; Q741-Y747 PolarHBondContact NE2-OH 3.21Å; Q741-Y747 VanDerWaalsContact NE2-OH 3.13Å; Y747-Y777 AromaticContact CE2-CD1 3.92Å; Y747-Y777 HydrophobicContact CE2-CD1 3.92Å; Y747-Y777 HydrophobicContact CE2-CE1 4.43Å; Y747-R778 PolarHBondContact N-O 2.95Å; Y747-F779 WeakPolarHBondContact O-CA 3.15Å; Y747-N780 PolarHBondContact O-N 2.98Å
748	D	98.1	Very high	95.2	Very high	6 Å²	6	15 Å²	15	3%	0.032	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.3	168.4	-75.4	13	0	0	0	108.7	R696 I740 V742 N780 I782	R696-D748 IonicContact CZ-OD1 2.76Å; R696-D748 IonicContact CZ-OD2 2.98Å; R696-D748 IonicContact NH1-OD1 3.23Å; R696-D748 IonicContact NH1-OD2 3.33Å; R696-D748 PolarHBondContact NH1-OD2 3.14Å; R696-D748 IonicContact NH2-OD1 3.97Å; R696-D748 PolarHBondContact NH2-OD1 3.43Å; R696-D748 IonicContact NH2-OD2 3.52Å; R696-D748 PolarHBondContact NH2-OD2 2.94Å; I740-D748 PolarHBondContact N-O 3.31Å; I740-D748 PolarHBondContact O-N 3.23Å; V742-D748 HydrophobicContact CG1-CB 3.87Å; D748-N780 CarbonylContact C-O 3.56Å; D748-N780 WeakPolarHBondContact CA-O 3.48Å; D748-N780 WeakPolarHBondContact OD1-CB 3.31Å; D748-N780 PolarHBondContact OD1-ND2 3.34Å; D748-I782 HydrophobicContact CB-CD1 4.43Å; D748-I782 HydrophobicContact CB-CG2 4.17Å
749	L	98.6	Very high	94.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.9	-171.7	-56.1	-175.7	0	0	0	109.6	F727 L736 K738 A739 F766 F779 N780 I781 I782	F727-L749 HydrophobicContact CD1-CD2 4.4Å; F727-L749 HydrophobicContact CE1-CD2 3.74Å; F727-L749 HydrophobicContact CZ-CD2 4.08Å; L736-L749 HydrophobicContact CD1-CB 3.92Å; L736-L749 HydrophobicContact CD1-CD2 4.31Å; L736-L749 HydrophobicContact CD1-CG 4.49Å; K738-L749 WeakPolarHBondContact O-CA 3.37Å; A739-L749 HydrophobicContact CB-CD2 3.47Å; A739-L749 VanDerWaalsContact CB-CD2 3.47Å; L749-F766 HydrophobicContact CD1-CE1 4.21Å; L749-F766 HydrophobicContact CD1-CE2 4.21Å; L749-F766 HydrophobicContact CD1-CZ 3.63Å; L749-F779 HydrophobicContact CD1-CB 4.07Å; L749-F779 HydrophobicContact CD1-CD1 4.06Å; L749-F779 HydrophobicContact CD1-CG 4.46Å; L749-N780 PolarHBondContact N-O 3.11Å; L749-I781 HydrophobicContact CB-CG1 4.08Å; L749-I781 HydrophobicContact CD1-CG1 4.12Å; L749-I781 WeakPolarHBondContact O-CA 3.42Å; L749-I782 WeakPolarHBondContact O-CG1 3.48Å; L749-I782 PolarHBondContact O-N 2.88Å
750	V	98.1	Very high	94.2	Very high	2 Å²	2	18 Å²	18	1%	0.012	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121	176.6	-169.8	0	0	0	0	108.3	P334 V335 R737 K738 I782 N783	P334-V750 HydrophobicContact CG-CG2 3.96Å; V335-V750 HydrophobicContact CG1-CB 4.43Å; V335-V750 HydrophobicContact CG1-CG1 3.89Å; R737-V750 WeakPolarHBondContact CA-O 3.29Å; R737-V750 WeakPolarHBondContact CB-O 3.33Å; R737-V750 PolarHBondContact N-O 3.25Å; K738-V750 HydrophobicContact CB-CB 4.2Å; K738-V750 HydrophobicContact CB-CG2 4.42Å; K738-V750 PolarHBondContact N-O 2.51Å; K738-V750 PolarHBondContact O-N 2.73Å; V750-I782 HydrophobicContact CG2-CD1 4.05Å; V750-I782 HydrophobicContact CG2-CG1 4.07Å; V750-N783 HydrophobicContact CG1-CB 4.29Å; V750-N783 WeakPolarHBondContact CG1-ND2 3.45Å
751	L	98	Very high	93.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-73.1	153.7	172.8	-55.5	-176.8	0	0	0	110.5	F764 I781 N783	L751-F764 HydrophobicContact CD1-CB 4.35Å; L751-F764 HydrophobicContact CD2-CB 3.53Å; L751-I781 HydrophobicContact CD1-CG2 3.84Å; L751-I781 HydrophobicContact CD2-CD1 4.38Å; L751-I781 HydrophobicContact CD2-CG2 3.99Å; L751-I781 HydrophobicContact CG-CG2 3.6Å; L751-N783 PolarHBondContact N-ND2 3.32Å; L751-N783 PolarHBondContact N-OD1 3.01Å; L751-N783 PolarHBondContact O-ND2 3.36Å
752	N	96.1	Very high	93.8	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.048	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-78.1	140.9	168.1	-165.6	34.2	0	0	0	110.1	S340 A341 N735 R737	S340-N752 WeakPolarHBondContact CA-OD1 3.25Å; S340-N752 PolarHBondContact OG-ND2 2.91Å; S340-N752 PolarHBondContact OG-OD1 2.74Å; A341-N752 PolarHBondContact N-OD1 3.14Å; N735-N752 PolarHBondContact ND2-O 2.75Å; N735-N752 VanDerWaalsContact ND2-O 3.08Å; N735-N752 PolarHBondContact OD1-N 2.91Å; R737-N752 HydrophobicContact CB-CB 4.08Å
753	A	93.9	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-68.2	157	168	0	0	0	0	0	110.3	S340 H761	S340-A753 VanDerWaalsContact CB-O 3.29Å; S340-A753 WeakPolarHBondContact CB-O 3.24Å; S340-A753 PolarHBondContact OG-O 2.68Å; A753-H761 WeakPolarHBondContact CB-NE2 3.38Å; A753-H761 PolarHBondContact N-NE2 3.45Å
754	D	95.7	Very high	94.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-55.9	142.7	172.6	-79.9	21.7	0	0	0	111	S340 N756 S757 H759 Y760 N982 H983 R984 C985	S340-D754 WeakPolarHBondContact CB-O 3.32Å; D754-N756 PolarHBondContact O-N 3.12Å; D754-S757 WeakPolarHBondContact O-CA 3.28Å; D754-S757 VanDerWaalsContact O-CB 3.25Å; D754-S757 WeakPolarHBondContact O-CB 3.41Å; D754-S757 PolarHBondContact O-N 2.81Å; D754-H759 PolarHBondContact N-O 2.79Å; D754-Y760 HydrophobicContact CB-CD2 4.29Å; D754-N982 WeakPolarHBondContact CA-OD1 3.34Å; D754-N982 HydrophobicContact CB-CB 4.28Å; D754-N982 WeakPolarHBondContact OD1-CA 3.2Å; D754-N982 WeakPolarHBondContact OD2-CB 3.22Å; D754-H983 PolarHBondContact OD1-N 3.29Å; D754-H983 PolarHBondContact OD2-N 3.13Å; D754-R984 WeakPolarHBondContact OD2-CA 3.48Å; D754-R984 PolarHBondContact OD2-N 3.4Å; D754-C985 HydrophobicContact CB-CB 4.42Å; D754-C985 PolarHBondContact OD2-N 3.46Å
755	I	95.1	Very high	94.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	135	-178.6	-63.4	-170.3	0	0	0	110.6	F342 F344 V655 S757 N980 N982 L987	F342-I755 HydrophobicContact CB-CD1 3.74Å; F342-I755 HydrophobicContact CB-CG1 4.01Å; F342-I755 HydrophobicContact CD2-CD1 4.35Å; F344-I755 HydrophobicContact CB-CG2 3.81Å; V655-I755 HydrophobicContact CB-CD1 3.84Å; V655-I755 HydrophobicContact CG1-CD1 4.2Å; V655-I755 HydrophobicContact CG2-CD1 3.82Å; I755-S757 PolarHBondContact O-N 3.49Å; I755-N980 HydrophobicContact CD1-CB 3.67Å; I755-N982 PolarHBondContact N-OD1 2.82Å; I755-L987 HydrophobicContact CB-CD2 3.94Å; I755-L987 HydrophobicContact CD1-CD2 4.01Å; I755-L987 HydrophobicContact CG1-CD2 4.45Å; I755-L987 HydrophobicContact CG2-CD2 3.92Å
756	N	92.5	Very high	94.7	Very high	7 Å²	7	8.5 Å²	8.5	4%	0.037	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	24.6	-172.6	-59.7	-17.7	0	0	0	114.5	H343 F344 V355 L358 Y359 D754 L987	H343-N756 PolarHBondContact ND1-OD1 3.43Å; F344-N756 PolarHBondContact N-OD1 3.18Å; F344-N756 PolarHBondContact O-ND2 3.1Å; F344-N756 PolarHBondContact O-OD1 2.8Å; V355-N756 HydrophobicContact CG2-CB 3.97Å; L358-N756 WeakPolarHBondContact CD2-O 3.32Å; Y359-N756 PolarHBondContact OH-ND2 3.19Å; Y359-N756 PolarHBondContact OH-OD1 2.94Å; D754-N756 PolarHBondContact O-N 3.12Å; N756-L987 PolarHBondContact ND2-O 3Å
757	S	88.9	Confident	94.8	Very high	11 Å²	11	9.4 Å²	9.4	8%	0.077	4%	0.044	C	C	.	.			trans	-129.9	175	170.8	-166.1	0	0	0	0	111.5	S340 D754 I755 H759	S340-S757 PolarHBondContact N-O 3.3Å; D754-S757 WeakPolarHBondContact O-CA 3.28Å; D754-S757 VanDerWaalsContact O-CB 3.25Å; D754-S757 WeakPolarHBondContact O-CB 3.41Å; D754-S757 PolarHBondContact O-N 2.81Å; I755-S757 PolarHBondContact O-N 3.49Å; S757-H759 PolarHBondContact OG-N 2.76Å
758	N	86.2	Confident	94.7	Very high	12 Å²	12	9.4 Å²	9.4	6%	0.064	4%	0.044	C	C	.	.	S	Bend	trans	-124.9	18.1	167.9	61	-8.7	0	0	0	112	I338 K339 L358 H761	I338-N758 HydrophobicContact CD1-CB 4.04Å; I338-N758 HydrophobicContact CG1-CB 4.04Å; I338-N758 WeakPolarHBondContact O-CA 3.06Å; K339-N758 HydrophobicContact CG-CB 4.2Å; L358-N758 HydrophobicContact CD1-CB 4.14Å; N758-H761 PolarHBondContact O-CE1 2.96Å
759	H	85.2	Confident	94.6	Very high	40 Å²	40	10.1 Å²	10.1	19%	0.185	5%	0.05	C	C	.	.			trans	-132.4	-173	-173.7	-68	-0.7	0	0	0	112.7	D754 S757 E785 R828 A832	D754-H759 PolarHBondContact N-O 2.79Å; S757-H759 PolarHBondContact OG-N 2.76Å; H759-E785 IonicContact ND1-OE1 3.74Å; H759-R828 PolarHBondContact CE1-NH2 2.93Å; H759-R828 PolarHBondContact ND1-NH2 3.01Å; H759-R828 VanDerWaalsContact ND1-NH2 3.2Å; H759-R828 PolarHBondContact NE2-NH2 3.47Å; H759-A832 PolarHBondContact CE1-O 2.9Å; H759-A832 PolarHBondContact NE2-O 3Å; H759-A832 VanDerWaalsContact NE2-O 3.15Å
760	Y	89.3	Confident	94.3	Very high	45 Å²	45	11.9 Å²	11.9	18%	0.176	7%	0.068	C	C	.	.			trans	77	26.6	170.6	-51.7	-67.7	0	0	0	114.9	D754 Q762 E785 H983 R984 C985	D754-Y760 HydrophobicContact CB-CD2 4.29Å; Y760-Q762 VanDerWaalsContact C-N 3.35Å; Y760-Q762 PolarHBondContact O-N 2.87Å; Y760-E785 PolarHBondContact N-OE2 3.15Å; Y760-H983 WeakPolarHBondContact O-CB 3.28Å; Y760-R984 HydrophobicContact CD1-CB 3.62Å; Y760-R984 HydrophobicContact CD1-CG 3.82Å; Y760-R984 HydrophobicContact CD2-CB 4.2Å; Y760-R984 HydrophobicContact CE1-CB 4.15Å; Y760-R984 HydrophobicContact CE1-CG 3.87Å; Y760-R984 HydrophobicContact CG-CB 3.65Å; Y760-R984 HydrophobicContact CG-CG 4.3Å; Y760-C985 WeakPolarHBondContact CE2-SG 3.45Å
761	H	91.5	Very high	94.1	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.037	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	79.2	178.3	-58.6	108.4	0	0	0	113.6	A753 N758 N783 E785	A753-H761 WeakPolarHBondContact CB-NE2 3.38Å; A753-H761 PolarHBondContact N-NE2 3.45Å; N758-H761 PolarHBondContact O-CE1 2.96Å; H761-N783 WeakPolarHBondContact CB-O 3.42Å; H761-N783 PolarHBondContact CD2-ND2 3.08Å; H761-N783 PolarHBondContact NE2-ND2 2.72Å; H761-E785 HydrophobicContact CB-CG 4.25Å; H761-E785 IonicContact CE1-OE1 3.36Å; H761-E785 IonicContact CG-OE1 3.16Å; H761-E785 VanDerWaalsContact ND1-CD 3.3Å; H761-E785 IonicContact ND1-OE1 2.71Å; H761-E785 PolarHBondContact ND1-OE1 2.98Å; H761-E785 IonicContact ND1-OE2 3.81Å
762	Q	92.9	Very high	93.8	Very high	15 Å²	15	16 Å²	16	7%	0.07	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	-36.5	176.7	175.2	154.7	66.9	0	0	114.9	Y760 Y861 H983 S1034	Y760-Q762 VanDerWaalsContact C-N 3.35Å; Y760-Q762 PolarHBondContact O-N 2.87Å; Q762-Y861 HydrophobicContact CG-CD2 4.49Å; Q762-Y861 HydrophobicContact CG-CE2 3.87Å; Q762-Y861 PolarHBondContact NE2-OH 3.15Å; Q762-Y861 VanDerWaalsContact O-CD2 3.3Å; Q762-Y861 WeakPolarHBondContact O-CD2 3.48Å; Q762-H983 PolarHBondContact OE1-CE1 3.49Å; Q762-H983 PolarHBondContact OE1-NE2 3.36Å; Q762-S1034 PolarHBondContact OE1-OG 3.37Å
763	W	97.6	Very high	93.7	Very high	6 Å²	6	19 Å²	19	2%	0.023	10%	0.102	C	C	.	.			trans	-74.6	136.3	173.8	175.3	-107.5	0	0	0	110.9	S733 Y765 Y861 P864 T938 H983	S733-W763 PolarHBondContact O-NE1 2.86Å; W763-Y765 HydrophobicContact CZ2-CD1 4.25Å; W763-Y765 HydrophobicContact CZ2-CG 4.26Å; W763-Y861 HydrophobicContact CE3-CD1 4.25Å; W763-Y861 HydrophobicContact CE3-CG 4.45Å; W763-P864 HydrophobicContact CH2-CG 4.46Å; W763-T938 HydrophobicContact CE3-CG2 4.19Å; W763-T938 HydrophobicContact CH2-CG2 3.5Å; W763-T938 VanDerWaalsContact CH2-CG2 3.5Å; W763-T938 HydrophobicContact CZ2-CG2 4.35Å; W763-T938 HydrophobicContact CZ3-CG2 3.39Å; W763-H983 HydrophobicContact CB-CB 3.91Å
764	F	98.6	Very high	93.5	Very high	3 Å²	3	22 Å²	22	1%	0.013	13%	0.132	C	C	.	.			trans	-139.8	140.3	170	67.1	-102.2	0	0	0	110.4	L751 F766 I781 P797 L844 F859 A860 Y861	L751-F764 HydrophobicContact CD1-CB 4.35Å; L751-F764 HydrophobicContact CD2-CB 3.53Å; F764-F766 HydrophobicContact CB-CD1 4.35Å; F764-F766 HydrophobicContact CB-CE1 4.31Å; F764-F766 HydrophobicContact CD2-CD1 4.14Å; F764-F766 AromaticContact CD2-CE1 3.66Å; F764-F766 HydrophobicContact CD2-CE1 3.66Å; F764-F766 HydrophobicContact CE2-CE1 4.33Å; F764-F766 HydrophobicContact CG-CE1 4.26Å; F764-I781 HydrophobicContact CB-CD1 4.44Å; F764-I781 HydrophobicContact CD1-CD1 3.54Å; F764-I781 HydrophobicContact CD2-CD1 4.45Å; F764-I781 HydrophobicContact CE1-CD1 3.74Å; F764-I781 HydrophobicContact CG-CD1 3.93Å; F764-I781 HydrophobicContact CZ-CD1 4.29Å; F764-P797 HydrophobicContact CZ-CB 4.11Å; F764-L844 HydrophobicContact CE1-CD2 4.07Å; F764-F859 HydrophobicContact CE2-CB 4.49Å; F764-A860 WeakPolarHBondContact O-CA 3.4Å; F764-Y861 HydrophobicContact CD1-CD2 4.06Å; F764-Y861 HydrophobicContact CD1-CG 4.42Å; F764-Y861 AromaticContact CE1-CD2 3.78Å; F764-Y861 HydrophobicContact CE1-CD2 3.78Å; F764-Y861 HydrophobicContact CE1-CG 4.31Å; F764-Y861 PolarHBondContact O-N 2.87Å
765	Y	98.8	Very high	93.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	113.5	171.4	-178.1	-162.2	0	0	0	108.4	A662 D665 F731 G734 N735 W763 W812 Y858 F859 A860 P864	A662-Y765 WeakPolarHBondContact CB-OH 3.06Å; D665-Y765 WeakPolarHBondContact OD2-CE1 3.47Å; D665-Y765 PolarHBondContact OD2-OH 3.18Å; F731-Y765 HydrophobicContact CD2-CD1 4.45Å; F731-Y765 HydrophobicContact CD2-CE1 4.25Å; F731-Y765 AromaticContact CE2-CD1 3.83Å; F731-Y765 HydrophobicContact CE2-CD1 3.83Å; F731-Y765 HydrophobicContact CE2-CD2 4.06Å; F731-Y765 AromaticContact CE2-CE1 3.8Å; F731-Y765 HydrophobicContact CE2-CE1 3.8Å; F731-Y765 HydrophobicContact CE2-CE2 4Å; F731-Y765 AromaticContact CE2-CG 3.97Å; F731-Y765 HydrophobicContact CE2-CG 3.97Å; F731-Y765 AromaticContact CE2-CZ 3.9Å; F731-Y765 HydrophobicContact CZ-CD2 4.43Å; F731-Y765 HydrophobicContact CZ-CE2 4.37Å; G734-Y765 CarbonylContact C-O 3.32Å; G734-Y765 WeakPolarHBondContact CA-O 3.44Å; N735-Y765 PolarHBondContact N-O 2.95Å; N735-Y765 PolarHBondContact O-N 3.23Å; W763-Y765 HydrophobicContact CZ2-CD1 4.25Å; W763-Y765 HydrophobicContact CZ2-CG 4.26Å; Y765-W812 HydrophobicContact CD2-CH2 4.16Å; Y765-W812 AromaticContact CE2-CH2 3.63Å; Y765-W812 HydrophobicContact CE2-CH2 3.63Å; Y765-W812 AromaticContact CE2-CZ2 3.9Å; Y765-W812 HydrophobicContact CE2-CZ2 3.9Å; Y765-Y858 HydrophobicContact CE2-CD1 4.11Å; Y765-Y858 HydrophobicContact CE2-CG 4.46Å; Y765-F859 VanDerWaalsContact CA-O 3.31Å; Y765-F859 WeakPolarHBondContact CA-O 3.41Å; Y765-A860 HydrophobicContact CD2-CB 4.1Å; Y765-P864 HydrophobicContact CD1-CB 4.23Å; Y765-P864 HydrophobicContact CD1-CG 4.02Å; Y765-P864 HydrophobicContact CD2-CG 4.25Å; Y765-P864 HydrophobicContact CE1-CB 3.78Å; Y765-P864 HydrophobicContact CE1-CG 3.73Å; Y765-P864 HydrophobicContact CE2-CG 4Å; Y765-P864 HydrophobicContact CG-CG 4.27Å
766	F	98.7	Very high	93.4	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	154.5	-176.3	60.1	-92.2	0	0	0	112.2	F727 N728 L736 L749 F764 V768 Y858 F859	F727-F766 HydrophobicContact CD1-CD2 4.07Å; F727-F766 HydrophobicContact CD1-CE2 4.19Å; F727-F766 HydrophobicContact CE1-CE2 4.23Å; N728-F766 CarbonylContact O-C 3.53Å; N728-F766 WeakPolarHBondContact O-CA 3.44Å; N728-F766 WeakPolarHBondContact O-CB 3.27Å; L736-F766 HydrophobicContact CB-CB 3.77Å; L736-F766 HydrophobicContact CB-CD1 4.16Å; L736-F766 HydrophobicContact CB-CG 4.14Å; L736-F766 HydrophobicContact CD2-CB 3.95Å; L736-F766 HydrophobicContact CD2-CD1 4.4Å; L736-F766 HydrophobicContact CD2-CD2 4.08Å; L736-F766 HydrophobicContact CD2-CG 3.91Å; L736-F766 HydrophobicContact CG-CB 4.49Å; L749-F766 HydrophobicContact CD1-CE1 4.21Å; L749-F766 HydrophobicContact CD1-CE2 4.21Å; L749-F766 HydrophobicContact CD1-CZ 3.63Å; F764-F766 HydrophobicContact CB-CD1 4.35Å; F764-F766 HydrophobicContact CB-CE1 4.31Å; F764-F766 HydrophobicContact CD2-CD1 4.14Å; F764-F766 AromaticContact CD2-CE1 3.66Å; F764-F766 HydrophobicContact CD2-CE1 3.66Å; F764-F766 HydrophobicContact CE2-CE1 4.33Å; F764-F766 HydrophobicContact CG-CE1 4.26Å; F766-V768 HydrophobicContact CD2-CG2 3.74Å; F766-V768 HydrophobicContact CE2-CG2 3.59Å; F766-Y858 CarbonylContact O-C 3.6Å; F766-Y858 WeakPolarHBondContact O-CA 3.21Å; F766-F859 HydrophobicContact CD2-CB 4.39Å; F766-F859 HydrophobicContact CE1-CB 4.23Å; F766-F859 HydrophobicContact CE2-CB 3.94Å; F766-F859 HydrophobicContact CE2-CD2 4.04Å; F766-F859 HydrophobicContact CE2-CG 4.27Å; F766-F859 HydrophobicContact CZ-CB 3.85Å; F766-F859 HydrophobicContact CZ-CG 4.39Å; F766-F859 PolarHBondContact N-O 3.42Å; F766-F859 PolarHBondContact O-N 3.29Å
767	E	98.4	Very high	93.6	Very high	32 Å²	32	24.7 Å²	24.7	15%	0.15	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	149.1	172.5	-165.8	-174	109.9	0	0	111	F727 N728 F731 V856 C857 Y858	F727-E767 VanDerWaalsContact CA-O 3.29Å; F727-E767 WeakPolarHBondContact CA-O 3.45Å; N728-E767 HydrophobicContact CB-CB 4.07Å; N728-E767 PolarHBondContact N-O 2.9Å; N728-E767 PolarHBondContact O-N 3.5Å; F731-E767 HydrophobicContact CE1-CB 4.24Å; E767-V856 VanDerWaalsContact CD-CG1 3.41Å; E767-V856 HydrophobicContact CG-CG1 3.43Å; E767-V856 VanDerWaalsContact CG-CG1 3.43Å; E767-C857 CarbonylContact C-O 3.53Å; E767-Y858 HydrophobicContact CB-CD1 3.82Å; E767-Y858 HydrophobicContact CB-CE1 3.59Å; E767-Y858 HydrophobicContact CG-CD1 4.04Å; E767-Y858 HydrophobicContact CG-CE1 3.57Å; E767-Y858 HydrophobicContact CG-CE2 4.37Å; E767-Y858 VanDerWaalsContact OE2-CE1 3.31Å; E767-Y858 WeakPolarHBondContact OE2-CE1 3.49Å; E767-Y858 PolarHBondContact OE2-OH 3.28Å
768	V	97.8	Very high	94	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	133.2	170.5	179.7	0	0	0	0	109.3	L725 K726 F727 F766 M771 F779 F850 C857 F859	L725-V768 HydrophobicContact CB-CG1 4.34Å; L725-V768 HydrophobicContact CD1-CG1 3.87Å; L725-V768 HydrophobicContact CD2-CG1 4.08Å; L725-V768 HydrophobicContact CG-CG1 4.33Å; K726-V768 WeakPolarHBondContact O-CA 3.27Å; F727-V768 HydrophobicContact CD1-CG2 3.78Å; F727-V768 HydrophobicContact CE1-CG2 3.81Å; F766-V768 HydrophobicContact CD2-CG2 3.74Å; F766-V768 HydrophobicContact CE2-CG2 3.59Å; V768-M771 VanDerWaalsContact O-CE 3.3Å; V768-M771 WeakPolarHBondContact O-CE 3.46Å; V768-F779 HydrophobicContact CG1-CZ 4.47Å; V768-F850 HydrophobicContact CG1-CZ 4.36Å; V768-C857 PolarHBondContact N-O 3.07Å; V768-C857 PolarHBondContact O-N 3.01Å; V768-F859 HydrophobicContact CB-CD2 4.23Å; V768-F859 HydrophobicContact CB-CE2 4Å; V768-F859 HydrophobicContact CG2-CD2 3.66Å; V768-F859 HydrophobicContact CG2-CE2 3.79Å
769	S	96.1	Very high	94.6	Very high	22 Å²	22	24.2 Å²	24.2	15%	0.154	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	172.6	174.2	61.2	0	0	0	0	112.1	K726 D855	K726-S769 PolarHBondContact N-O 3.01Å; K726-S769 PolarHBondContact O-N 2.69Å; S769-D855 WeakPolarHBondContact CB-O 3.41Å
770	G	92.3	Very high	95.2	Very high	36 Å²	36	22.3 Å²	22.3	37%	0.371	14%	0.143	S	C	.	.	S	Bend	trans	79.4	18.3	-176.6	0	0	0	0	0	115
771	M	93.4	Very high	95.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	14%	0.135	C	C	.	.			trans	-72.6	156.1	178.4	66.7	-71.8	-81.8	0	0	113.6	L725 V768 Y777 F850 D855 C857	L725-M771 HydrophobicContact CD2-CB 3.8Å; V768-M771 VanDerWaalsContact O-CE 3.3Å; V768-M771 WeakPolarHBondContact O-CE 3.46Å; M771-Y777 HydrophobicContact CB-CE2 4.25Å; M771-F850 HydrophobicContact CB-CB 4.14Å; M771-F850 HydrophobicContact CB-CD1 4.31Å; M771-F850 HydrophobicContact CB-CD2 3.52Å; M771-F850 HydrophobicContact CB-CE2 3.92Å; M771-F850 HydrophobicContact CB-CG 3.73Å; M771-F850 HydrophobicContact CB-CZ 4.47Å; M771-F850 HydrophobicContact CE-CD1 3.92Å; M771-F850 HydrophobicContact CE-CE1 3.88Å; M771-F850 HydrophobicContact CE-CZ 4.44Å; M771-F850 HydrophobicContact CG-CB 3.66Å; M771-F850 HydrophobicContact CG-CD1 3.88Å; M771-F850 HydrophobicContact CG-CD2 3.92Å; M771-F850 HydrophobicContact CG-CG 3.54Å; M771-D855 HydrophobicContact CE-CB 4.16Å; M771-D855 WeakPolarHBondContact CE-O 3.28Å; M771-D855 HydrophobicContact SD-CB 3.83Å; M771-C857 HydrophobicContact CE-CB 3.83Å
772	R	91.7	Very high	95.9	Very high	88 Å²	88	20 Å²	20	33%	0.332	13%	0.133	S	C	.	.			trans	-108.6	131.5	174.2	-61.6	-177.9	-177.5	179.5	2.8	110.9	G722 E723 T775 Y777	G722-R772 PolarHBondContact O-NH2 2.75Å; E723-R772 IonicContact OE1-CZ 3.38Å; E723-R772 IonicContact OE1-NH1 3.19Å; E723-R772 PolarHBondContact OE1-NH1 2.98Å; E723-R772 IonicContact OE1-NH2 2.75Å; E723-R772 PolarHBondContact OE1-NH2 3.5Å; R772-T775 WeakPolarHBondContact O-CB 3.24Å; R772-T775 PolarHBondContact O-N 3.05Å; R772-Y777 PolarHBondContact N-OH 3.21Å
773	T	93	Very high	96	Very high	73 Å²	73	19.3 Å²	19.3	45%	0.448	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	137.1	178	51.8	0	0	0	0	112.3	T775 F850 I851 H852 K853	T773-T775 PolarHBondContact O-N 3.46Å; T773-F850 WeakPolarHBondContact CA-O 3.49Å; T773-I851 WeakPolarHBondContact CG2-O 3.33Å; T773-H852 VanDerWaalsContact CG2-C 3.43Å; T773-K853 HydrophobicContact CG2-CB 3.72Å
774	G	90.9	Very high	95.8	Very high	62 Å²	62	19.4 Å²	19.4	64%	0.639	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	1	174.9	0	0	0	0	0	115.1	F850	G774-F850 PolarHBondContact N-O 3.42Å
775	T	92.4	Very high	95.1	Very high	30 Å²	30	20.9 Å²	20.9	18%	0.184	14%	0.139	C	C	.	.			trans	-90.4	128.3	174	-57.1	0	0	0	0	109.1	Y745 R772 T773 Y777	Y745-T775 HydrophobicContact CD1-CG2 3.68Å; Y745-T775 HydrophobicContact CD2-CG2 3.94Å; Y745-T775 HydrophobicContact CE1-CG2 3.73Å; Y745-T775 HydrophobicContact CE2-CG2 3.96Å; Y745-T775 HydrophobicContact CG-CG2 3.8Å; R772-T775 WeakPolarHBondContact O-CB 3.24Å; R772-T775 PolarHBondContact O-N 3.05Å; T773-T775 PolarHBondContact O-N 3.46Å; T775-Y777 HydrophobicContact CG2-CD2 4.23Å; T775-Y777 HydrophobicContact CG2-CE2 3.74Å; T775-Y777 VanDerWaalsContact O-CD2 3.26Å; T775-Y777 WeakPolarHBondContact O-CD2 3.25Å
776	G	95.2	Very high	94.4	Very high	33 Å²	33	23 Å²	23	34%	0.34	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120	174.6	0	0	0	0	0	111.2	V848	G776-V848 WeakPolarHBondContact CA-O 3.29Å
777	Y	96.9	Very high	93.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.9	176.8	-67.6	-98.2	0	0	0	109.8	L725 Y745 Y747 M771 R772 T775 T847 V848 F850	L725-Y777 HydrophobicContact CD1-CD1 3.54Å; L725-Y777 HydrophobicContact CD1-CE1 3.94Å; L725-Y777 HydrophobicContact CD1-CG 4.12Å; L725-Y777 HydrophobicContact CD2-CD1 4.14Å; L725-Y777 HydrophobicContact CD2-CE1 3.72Å; L725-Y777 HydrophobicContact CG-CD1 3.85Å; L725-Y777 HydrophobicContact CG-CE1 3.7Å; Y745-Y777 HydrophobicContact CD1-CD1 4.26Å; Y745-Y777 AromaticContact CD1-CE1 3.77Å; Y745-Y777 HydrophobicContact CD1-CE1 3.77Å; Y745-Y777 WeakPolarHBondContact O-CA 3.36Å; Y747-Y777 AromaticContact CE2-CD1 3.92Å; Y747-Y777 HydrophobicContact CE2-CD1 3.92Å; Y747-Y777 HydrophobicContact CE2-CE1 4.43Å; M771-Y777 HydrophobicContact CB-CE2 4.25Å; R772-Y777 PolarHBondContact N-OH 3.21Å; T775-Y777 HydrophobicContact CG2-CD2 4.23Å; T775-Y777 HydrophobicContact CG2-CE2 3.74Å; T775-Y777 VanDerWaalsContact O-CD2 3.26Å; T775-Y777 WeakPolarHBondContact O-CD2 3.25Å; Y777-T847 CarbonylContact O-C 3.58Å; Y777-T847 VanDerWaalsContact O-CA 3.32Å; Y777-T847 WeakPolarHBondContact O-CA 3.47Å; Y777-V848 PolarHBondContact N-O 3.44Å; Y777-V848 PolarHBondContact O-N 3.46Å; Y777-F850 AromaticContact CD2-CD2 3.6Å; Y777-F850 HydrophobicContact CD2-CD2 3.6Å; Y777-F850 AromaticContact CD2-CE2 3.66Å; Y777-F850 HydrophobicContact CD2-CE2 3.66Å; Y777-F850 AromaticContact CE2-CD2 3.95Å; Y777-F850 HydrophobicContact CE2-CD2 3.95Å; Y777-F850 HydrophobicContact CE2-CE2 4.28Å; Y777-F850 HydrophobicContact CG-CD2 4.48Å; Y777-F850 HydrophobicContact CG-CE2 4.1Å
778	R	97.4	Very high	92.9	Very high	12 Å²	12	23.1 Å²	23.1	5%	0.045	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.7	173.9	174.5	157.8	77.4	130.8	-17.7	109.8	D693 Y745 E746 Y747 N780 T845	D693-R778 IonicContact OD1-NH1 2.73Å; D693-R778 PolarHBondContact OD1-NH1 3.36Å; Y745-R778 PolarHBondContact O-N 3.16Å; E746-R778 CarbonylContact C-O 3.55Å; E746-R778 WeakPolarHBondContact CA-O 3.38Å; E746-R778 HydrophobicContact CG-CB 4.1Å; E746-R778 HydrophobicContact CG-CG 4.09Å; E746-R778 IonicContact OE1-CZ 2.94Å; E746-R778 IonicContact OE1-NE 3.69Å; E746-R778 PolarHBondContact OE1-NE 2.86Å; E746-R778 IonicContact OE1-NH1 2.69Å; E746-R778 IonicContact OE1-NH2 2.67Å; E746-R778 PolarHBondContact OE1-NH2 3.23Å; E746-R778 IonicContact OE2-CZ 3.84Å; E746-R778 VanDerWaalsContact OE2-CZ 3.29Å; E746-R778 IonicContact OE2-NE 3.17Å; E746-R778 PolarHBondContact OE2-NE 3.1Å; E746-R778 VanDerWaalsContact OE2-NE 3.17Å; E746-R778 IonicContact OE2-NH2 3.43Å; E746-R778 PolarHBondContact OE2-NH2 3.23Å; Y747-R778 PolarHBondContact N-O 2.95Å; R778-N780 WeakPolarHBondContact CG-OD1 3.46Å; R778-N780 PolarHBondContact NH1-OD1 3.32Å; R778-T845 WeakPolarHBondContact CD-OG1 3.28Å
779	F	98.5	Very high	92.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.6	170.7	-57.1	-81.9	0	0	0	108.9	L725 F727 Y747 L749 V768 T845 F846 V848 F850 F859	L725-F779 HydrophobicContact CD1-CE1 3.74Å; L725-F779 HydrophobicContact CD1-CZ 3.74Å; F727-F779 HydrophobicContact CE1-CD1 4.23Å; F727-F779 AromaticContact CE1-CE1 3.86Å; F727-F779 HydrophobicContact CE1-CE1 3.86Å; F727-F779 HydrophobicContact CZ-CD1 4.35Å; F727-F779 AromaticContact CZ-CE1 3.86Å; F727-F779 HydrophobicContact CZ-CE1 3.86Å; Y747-F779 WeakPolarHBondContact O-CA 3.15Å; L749-F779 HydrophobicContact CD1-CB 4.07Å; L749-F779 HydrophobicContact CD1-CD1 4.06Å; L749-F779 HydrophobicContact CD1-CG 4.46Å; V768-F779 HydrophobicContact CG1-CZ 4.47Å; F779-T845 WeakPolarHBondContact O-CA 3.39Å; F779-T845 PolarHBondContact O-OG1 3.01Å; F779-F846 HydrophobicContact CB-CD1 4.41Å; F779-F846 HydrophobicContact CB-CD2 4.47Å; F779-F846 HydrophobicContact CB-CE1 3.96Å; F779-F846 HydrophobicContact CB-CE2 4.02Å; F779-F846 HydrophobicContact CB-CZ 3.75Å; F779-F846 HydrophobicContact CD2-CD2 4.15Å; F779-F846 AromaticContact CD2-CE2 3.68Å; F779-F846 HydrophobicContact CD2-CE2 3.68Å; F779-F846 HydrophobicContact CD2-CZ 4.19Å; F779-F846 HydrophobicContact CG-CE2 4.15Å; F779-F846 HydrophobicContact CG-CZ 4.19Å; F779-F846 PolarHBondContact N-O 3.17Å; F779-F846 PolarHBondContact O-N 3.27Å; F779-V848 HydrophobicContact CD2-CG2 4.13Å; F779-V848 HydrophobicContact CE2-CB 4.14Å; F779-V848 HydrophobicContact CE2-CG2 4Å; F779-F850 HydrophobicContact CE2-CE2 4.48Å; F779-F850 HydrophobicContact CE2-CZ 4.34Å; F779-F850 HydrophobicContact CZ-CE2 4.35Å; F779-F850 HydrophobicContact CZ-CZ 4.19Å; F779-F859 HydrophobicContact CE2-CZ 4.48Å
780	N	98.1	Very high	92.3	Very high	1 Å²	1	23 Å²	23	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	105.7	177.9	-51.2	-57.3	0	0	0	108.4	R696 E746 Y747 D748 L749 R778 I782 T843 L844 T845	R696-N780 PolarHBondContact NH2-ND2 3.25Å; E746-N780 PolarHBondContact OE1-ND2 2.95Å; Y747-N780 PolarHBondContact O-N 2.98Å; D748-N780 CarbonylContact C-O 3.56Å; D748-N780 WeakPolarHBondContact CA-O 3.48Å; D748-N780 WeakPolarHBondContact OD1-CB 3.31Å; D748-N780 PolarHBondContact OD1-ND2 3.34Å; L749-N780 PolarHBondContact N-O 3.11Å; R778-N780 WeakPolarHBondContact CG-OD1 3.46Å; R778-N780 PolarHBondContact NH1-OD1 3.32Å; N780-I782 HydrophobicContact CB-CG2 4.12Å; N780-I782 PolarHBondContact O-N 3.33Å; N780-T843 HydrophobicContact CB-CG2 3.85Å; N780-L844 CarbonylContact C-O 3.58Å; N780-L844 WeakPolarHBondContact CA-O 3.37Å; N780-T845 WeakPolarHBondContact OD1-CB 3.43Å; N780-T845 PolarHBondContact OD1-OG1 3.31Å
781	I	98.4	Very high	92.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	109.1	171.2	-58.6	175.6	0	0	0	107.4	L749 L751 F764 T843 L844 F846	L749-I781 HydrophobicContact CB-CG1 4.08Å; L749-I781 HydrophobicContact CD1-CG1 4.12Å; L749-I781 WeakPolarHBondContact O-CA 3.42Å; L751-I781 HydrophobicContact CD1-CG2 3.84Å; L751-I781 HydrophobicContact CD2-CD1 4.38Å; L751-I781 HydrophobicContact CD2-CG2 3.99Å; L751-I781 HydrophobicContact CG-CG2 3.6Å; F764-I781 HydrophobicContact CB-CD1 4.44Å; F764-I781 HydrophobicContact CD1-CD1 3.54Å; F764-I781 HydrophobicContact CD2-CD1 4.45Å; F764-I781 HydrophobicContact CE1-CD1 3.74Å; F764-I781 HydrophobicContact CG-CD1 3.93Å; F764-I781 HydrophobicContact CZ-CD1 4.29Å; I781-T843 VanDerWaalsContact O-CA 3.28Å; I781-T843 WeakPolarHBondContact O-CA 3.2Å; I781-L844 HydrophobicContact CB-CB 4.34Å; I781-L844 HydrophobicContact CD1-CD2 4.38Å; I781-L844 PolarHBondContact N-O 3.12Å; I781-L844 PolarHBondContact O-N 2.83Å; I781-F846 HydrophobicContact CD1-CE1 4.43Å
782	I	96.3	Very high	92.3	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-9.2	-162.5	57.3	161.5	0	0	0	115.7	L333 P334 D748 L749 V750 N780 N824 F826 Y841 T843	L333-I782 HydrophobicContact CD2-CD1 4.06Å; L333-I782 HydrophobicContact CD2-CG1 4.29Å; P334-I782 HydrophobicContact CG-CD1 4.11Å; D748-I782 HydrophobicContact CB-CD1 4.43Å; D748-I782 HydrophobicContact CB-CG2 4.17Å; L749-I782 WeakPolarHBondContact O-CG1 3.48Å; L749-I782 PolarHBondContact O-N 2.88Å; V750-I782 HydrophobicContact CG2-CD1 4.05Å; V750-I782 HydrophobicContact CG2-CG1 4.07Å; N780-I782 HydrophobicContact CB-CG2 4.12Å; N780-I782 PolarHBondContact O-N 3.33Å; I782-N824 PolarHBondContact O-ND2 3.23Å; I782-F826 HydrophobicContact CB-CD2 4.04Å; I782-F826 HydrophobicContact CB-CE2 3.82Å; I782-F826 HydrophobicContact CD1-CD2 4.13Å; I782-F826 HydrophobicContact CD1-CE1 4.34Å; I782-F826 HydrophobicContact CD1-CE2 3.52Å; I782-F826 HydrophobicContact CD1-CZ 3.64Å; I782-F826 HydrophobicContact CG1-CE2 4.25Å; I782-F826 HydrophobicContact CG2-CE2 4.03Å; I782-Y841 WeakPolarHBondContact O-CB 3.41Å; I782-T843 HydrophobicContact CG2-CG2 4.46Å
783	N	94.8	Very high	92.2	Very high	1 Å²	1	18 Å²	18	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	23.6	-176.3	66.8	-34.8	0	0	0	114.7	L333 V750 L751 H761 Y841	L333-N783 HydrophobicContact CD1-CB 3.59Å; L333-N783 HydrophobicContact CD2-CB 3.94Å; L333-N783 HydrophobicContact CG-CB 4.46Å; V750-N783 HydrophobicContact CG1-CB 4.29Å; V750-N783 WeakPolarHBondContact CG1-ND2 3.45Å; L751-N783 PolarHBondContact N-ND2 3.32Å; L751-N783 PolarHBondContact N-OD1 3.01Å; L751-N783 PolarHBondContact O-ND2 3.36Å; H761-N783 WeakPolarHBondContact CB-O 3.42Å; H761-N783 PolarHBondContact CD2-ND2 3.08Å; H761-N783 PolarHBondContact NE2-ND2 2.72Å; N783-Y841 HydrophobicContact CB-CD1 4.15Å; N783-Y841 HydrophobicContact CB-CE1 4.26Å; N783-Y841 VanDerWaalsContact O-CD1 3.29Å; N783-Y841 WeakPolarHBondContact O-CD1 3.42Å
784	C	93.4	Very high	92.2	Very high	9 Å²	9	14.7 Å²	14.7	6%	0.061	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	145.7	175.4	-56.1	0	0	0	0	111.4	Y821 Y841 Y842	C784-Y821 HydrophobicContact CB-CE2 3.71Å; C784-Y821 VanDerWaalsContact CB-OH 3.23Å; C784-Y821 WeakPolarHBondContact CB-OH 3.08Å; C784-Y841 WeakPolarHBondContact O-CA 3.29Å; C784-Y842 WeakPolarHBondContact CB-O 3.44Å; C784-Y842 PolarHBondContact N-O 3Å; C784-Y842 PolarHBondContact O-N 3.32Å
785	E	85.8	Confident	92.4	Very high	34 Å²	34	11.7 Å²	11.7	16%	0.159	7%	0.069	C	C	.	.			trans	-109	-19.7	-166.6	-70.1	178.7	158	0	0	115.7	H759 Y760 H761 R828 Y841	H759-E785 IonicContact ND1-OE1 3.74Å; Y760-E785 PolarHBondContact N-OE2 3.15Å; H761-E785 HydrophobicContact CB-CG 4.25Å; H761-E785 IonicContact CE1-OE1 3.36Å; H761-E785 IonicContact CG-OE1 3.16Å; H761-E785 VanDerWaalsContact ND1-CD 3.3Å; H761-E785 IonicContact ND1-OE1 2.71Å; H761-E785 PolarHBondContact ND1-OE1 2.98Å; H761-E785 IonicContact ND1-OE2 3.81Å; E785-R828 IonicContact OE1-CZ 2.68Å; E785-R828 IonicContact OE1-NH1 3.49Å; E785-R828 IonicContact OE1-NH2 3.46Å; E785-R828 PolarHBondContact OE1-NH2 3.5Å; E785-Y841 HydrophobicContact CG-CD1 4.03Å; E785-Y841 HydrophobicContact CG-CE1 3.83Å
786	K	84.1	Confident	92.6	Very high	43 Å²	43	11.5 Å²	11.5	19%	0.187	7%	0.066	C	C	.	.			trans	-81.1	145.9	-175.6	-67.2	177	179.3	175.6	0	109.5	E388 N788 Y821 Y842	E388-K786 WeakPolarHBondContact OE1-CE 3.31Å; E388-K786 IonicContact OE1-NZ 2.86Å; E388-K786 PolarHBondContact OE1-NZ 2.96Å; K786-N788 PolarHBondContact O-N 3.43Å; K786-Y821 VanDerWaalsContact O-CE1 3.25Å; K786-Y821 WeakPolarHBondContact O-CE1 3.19Å; K786-Y821 PolarHBondContact O-OH 2.96Å; K786-Y842 VanDerWaalsContact O-CD2 3.31Å; K786-Y842 WeakPolarHBondContact O-CD2 3.08Å; K786-Y842 VanDerWaalsContact O-CG 3.28Å
787	S	82.1	Confident	92.8	Very high	25 Å²	25	10 Å²	10	18%	0.175	5%	0.05	C	C	.	.	S	Bend	trans	-56.5	-35.8	175.6	49.9	0	0	0	0	113.2	E385 Y842 Y1200	E385-S787 WeakPolarHBondContact OE1-CB 3.47Å; E385-S787 PolarHBondContact OE1-OG 3.23Å; S787-Y842 WeakPolarHBondContact O-CD1 3.45Å; S787-Y842 WeakPolarHBondContact O-CE1 3.21Å; S787-Y1200 WeakPolarHBondContact O-CD1 3.25Å
788	N	83.2	Confident	92.8	Very high	11 Å²	11	9.9 Å²	9.9	6%	0.059	5%	0.05	C	C	.	.			trans	-143.6	151	-159.9	-174.9	-14.6	0	0	0	110.6	K786 Y793 E1191 Y1200	K786-N788 PolarHBondContact O-N 3.43Å; N788-Y793 WeakPolarHBondContact OD1-CE2 3.49Å; N788-E1191 PolarHBondContact ND2-OE1 3.37Å; N788-Y1200 HydrophobicContact CB-CD1 4.46Å; N788-Y1200 HydrophobicContact CB-CE1 3.91Å; N788-Y1200 VanDerWaalsContact CG-CZ 3.48Å; N788-Y1200 VanDerWaalsContact CG-OH 3.26Å; N788-Y1200 PolarHBondContact ND2-OH 2.95Å; N788-Y1200 PolarHBondContact OD1-OH 3.08Å
789	S	89.8	Confident	92.8	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.021	5%	0.053	C	C	.	.			trans	-153.4	143.5	-176.4	-170	0	0	0	0	113.4	F791 N792 Y821	S789-F791 PolarHBondContact O-N 3.33Å; S789-F791 VanDerWaalsContact OG-CD2 3.32Å; S789-F791 WeakPolarHBondContact OG-CD2 3.34Å; S789-N792 PolarHBondContact O-N 3.11Å; S789-Y821 VanDerWaalsContact CB-CG 3.48Å
790	Q	91.6	Very high	92.8	Very high	15 Å²	15	10.5 Å²	10.5	7%	0.07	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-60.7	-12.3	179.4	-78.7	-69.5	-45.3	0	0	114.8	N792 Y793 G794 M795 S1034 R1035 C1120	Q790-N792 VanDerWaalsContact C-N 3.25Å; Q790-N792 PolarHBondContact O-N 2.79Å; Q790-Y793 CarbonylContact O-C 3.59Å; Q790-Y793 WeakPolarHBondContact O-CA 3.4Å; Q790-Y793 PolarHBondContact O-N 3.29Å; Q790-G794 PolarHBondContact O-N 2.8Å; Q790-M795 HydrophobicContact CB-CB 4.08Å; Q790-M795 HydrophobicContact CB-SD 3.95Å; Q790-M795 VanDerWaalsContact O-CB 3.26Å; Q790-M795 WeakPolarHBondContact O-CB 3.49Å; Q790-M795 PolarHBondContact O-N 3.33Å; Q790-M795 VanDerWaalsContact O-N 3.12Å; Q790-S1034 VanDerWaalsContact CG-O 3.23Å; Q790-S1034 WeakPolarHBondContact CG-O 3.44Å; Q790-R1035 PolarHBondContact NE2-O 3.43Å; Q790-C1120 HydrophobicContact CB-CB 3.84Å; Q790-C1120 HydrophobicContact CG-CB 4.01Å; Q790-C1120 PolarHBondContact OE1-SG 2.81Å
791	F	93.8	Very high	92.8	Very high	8 Å²	8	10.8 Å²	10.8	4%	0.035	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-60.5	-30.4	169	-68.4	-66.7	0	0	0	113.3	S789 Y793 M795 I819 L844 Y861	S789-F791 PolarHBondContact O-N 3.33Å; S789-F791 VanDerWaalsContact OG-CD2 3.32Å; S789-F791 WeakPolarHBondContact OG-CD2 3.34Å; F791-Y793 PolarHBondContact O-N 3.21Å; F791-M795 HydrophobicContact CD1-CB 4.12Å; F791-M795 HydrophobicContact CD1-CG 4.1Å; F791-M795 WeakPolarHBondContact CD1-O 3.27Å; F791-M795 HydrophobicContact CE1-CB 4.43Å; F791-M795 HydrophobicContact CE1-CE 4.15Å; F791-M795 HydrophobicContact CE1-CG 3.9Å; F791-M795 HydrophobicContact CE1-SD 4.2Å; F791-M795 HydrophobicContact CE2-CE 4.46Å; F791-M795 HydrophobicContact CE2-SD 4.48Å; F791-M795 HydrophobicContact CZ-CE 3.83Å; F791-M795 HydrophobicContact CZ-CG 4.45Å; F791-M795 HydrophobicContact CZ-SD 4.17Å; F791-I819 HydrophobicContact CB-CG2 3.91Å; F791-I819 HydrophobicContact CD1-CG2 4.19Å; F791-I819 HydrophobicContact CG-CG2 4.4Å; F791-L844 HydrophobicContact CB-CD1 3.7Å; F791-L844 HydrophobicContact CD1-CD1 4.1Å; F791-L844 HydrophobicContact CD2-CD1 3.5Å; F791-L844 VanDerWaalsContact CD2-CD1 3.5Å; F791-L844 HydrophobicContact CD2-CD2 3.59Å; F791-L844 HydrophobicContact CD2-CG 4.16Å; F791-L844 HydrophobicContact CE1-CD2 4.35Å; F791-L844 HydrophobicContact CE2-CD1 4.15Å; F791-L844 HydrophobicContact CE2-CD2 3.34Å; F791-L844 HydrophobicContact CE2-CG 4.38Å; F791-L844 HydrophobicContact CG-CD1 3.49Å; F791-L844 VanDerWaalsContact CG-CD1 3.49Å; F791-L844 HydrophobicContact CG-CD2 4.22Å; F791-L844 HydrophobicContact CZ-CD2 3.77Å; F791-Y861 HydrophobicContact CE2-CD2 4.13Å; F791-Y861 AromaticContact CE2-CE2 3.78Å; F791-Y861 HydrophobicContact CE2-CE2 3.78Å; F791-Y861 HydrophobicContact CZ-CD2 4.15Å; F791-Y861 HydrophobicContact CZ-CE2 4.13Å
792	N	91.1	Very high	92.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-74.3	-12.1	170.7	-75	-28	0	0	0	113.2	R681 S789 Q790 C820 Y821 F1194 I1198	R681-N792 WeakPolarHBondContact CD-O 3.49Å; S789-N792 PolarHBondContact O-N 3.11Å; Q790-N792 VanDerWaalsContact C-N 3.25Å; Q790-N792 PolarHBondContact O-N 2.79Å; N792-C820 PolarHBondContact OD1-SG 3.14Å; N792-Y821 PolarHBondContact ND2-O 2.61Å; N792-Y821 PolarHBondContact OD1-N 3.13Å; N792-F1194 VanDerWaalsContact O-CZ 3.27Å; N792-F1194 WeakPolarHBondContact O-CZ 3.25Å; N792-I1198 HydrophobicContact CB-CD1 3.75Å; N792-I1198 WeakPolarHBondContact ND2-CG2 3.32Å
793	Y	90.6	Very high	92.6	Very high	12 Å²	12	14.9 Å²	14.9	5%	0.047	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-113.5	18.9	-174.9	-59.2	-83.3	0	0	0	113.5	N788 Q790 F791 K1037 E1191 P1192 F1194 I1198 Y1200	N788-Y793 WeakPolarHBondContact OD1-CE2 3.49Å; Q790-Y793 CarbonylContact O-C 3.59Å; Q790-Y793 WeakPolarHBondContact O-CA 3.4Å; Q790-Y793 PolarHBondContact O-N 3.29Å; F791-Y793 PolarHBondContact O-N 3.21Å; Y793-K1037 PolarHBondContact O-NZ 2.64Å; Y793-E1191 HydrophobicContact CE1-CB 4.33Å; Y793-E1191 HydrophobicContact CE1-CG 4.46Å; Y793-E1191 PolarHBondContact OH-OE1 3.35Å; Y793-E1191 PolarHBondContact OH-OE2 3.06Å; Y793-P1192 HydrophobicContact CD1-CG 3.54Å; Y793-P1192 HydrophobicContact CE1-CG 3.9Å; Y793-F1194 AromaticContact CD1-CE2 3.69Å; Y793-F1194 HydrophobicContact CD1-CE2 3.69Å; Y793-F1194 AromaticContact CD1-CZ 3.93Å; Y793-F1194 HydrophobicContact CD1-CZ 3.93Å; Y793-F1194 HydrophobicContact CE1-CD2 4.45Å; Y793-F1194 AromaticContact CE1-CE2 3.53Å; Y793-F1194 HydrophobicContact CE1-CE2 3.53Å; Y793-F1194 HydrophobicContact CE1-CZ 4.25Å; Y793-I1198 HydrophobicContact CE1-CD1 4.16Å; Y793-I1198 HydrophobicContact CE2-CD1 4.22Å; Y793-I1198 VanDerWaalsContact OH-CD1 3.25Å; Y793-I1198 WeakPolarHBondContact OH-CD1 3.39Å; Y793-Y1200 WeakPolarHBondContact CE2-OH 3.31Å; Y793-Y1200 PolarHBondContact OH-OH 3.4Å
794	G	92.4	Very high	92.6	Very high	4 Å²	4	17.4 Å²	17.4	4%	0.041	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	5.4	171.4	0	0	0	0	0	116.1	L678 L679 Q790	L678-G794 WeakPolarHBondContact CD2-O 3.16Å; L679-G794 PolarHBondContact N-O 2.74Å; L679-G794 WeakPolarHBondContact O-CA 3.44Å; Q790-G794 PolarHBondContact O-N 2.8Å
795	M	95.4	Very high	92.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.			trans	-66.2	143.6	167	-173.6	176.6	169.4	0	0	110.3	Q790 F791 Y861 L1119 C1120	Q790-M795 HydrophobicContact CB-CB 4.08Å; Q790-M795 HydrophobicContact CB-SD 3.95Å; Q790-M795 VanDerWaalsContact O-CB 3.26Å; Q790-M795 WeakPolarHBondContact O-CB 3.49Å; Q790-M795 PolarHBondContact O-N 3.33Å; Q790-M795 VanDerWaalsContact O-N 3.12Å; F791-M795 HydrophobicContact CD1-CB 4.12Å; F791-M795 HydrophobicContact CD1-CG 4.1Å; F791-M795 WeakPolarHBondContact CD1-O 3.27Å; F791-M795 HydrophobicContact CE1-CB 4.43Å; F791-M795 HydrophobicContact CE1-CE 4.15Å; F791-M795 HydrophobicContact CE1-CG 3.9Å; F791-M795 HydrophobicContact CE1-SD 4.2Å; F791-M795 HydrophobicContact CE2-CE 4.46Å; F791-M795 HydrophobicContact CE2-SD 4.48Å; F791-M795 HydrophobicContact CZ-CE 3.83Å; F791-M795 HydrophobicContact CZ-CG 4.45Å; F791-M795 HydrophobicContact CZ-SD 4.17Å; M795-Y861 HydrophobicContact CE-CE1 4.19Å; M795-Y861 HydrophobicContact CE-CE2 4.23Å; M795-Y861 WeakPolarHBondContact CE-O 3.32Å; M795-L1119 WeakPolarHBondContact CE-O 3.4Å; M795-C1120 HydrophobicContact CB-CB 4.12Å; M795-C1120 HydrophobicContact CG-CB 4.25Å; M795-C1120 HydrophobicContact SD-CB 4.14Å
796	Q	97.1	Very high	92.8	Very high	25 Å²	25	18 Å²	18	12%	0.117	9%	0.092	C	C	.	.			trans	-121.9	147.7	172.2	-78.4	178.2	-72.2	0	0	111.4	L679 R814 T815 G816 I819	L679-Q796 HydrophobicContact CB-CG 3.92Å; L679-Q796 HydrophobicContact CD2-CG 3.93Å; L679-Q796 HydrophobicContact CG-CG 4.49Å; Q796-R814 HydrophobicContact CB-CB 3.91Å; Q796-R814 WeakPolarHBondContact O-CD 3.5Å; Q796-R814 PolarHBondContact O-NH1 3.22Å; Q796-T815 WeakPolarHBondContact CB-O 3.37Å; Q796-T815 PolarHBondContact NE2-O 2.85Å; Q796-G816 PolarHBondContact NE2-O 3.29Å; Q796-I819 HydrophobicContact CB-CD1 4.34Å; Q796-I819 HydrophobicContact CG-CD1 3.76Å
797	P	97.6	Very high	93.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	11%	0.109	C	C	.	.			trans	-61.7	152.8	169	29.3	-36.4	0	0	0	109.8	F764 T815 F846	F764-P797 HydrophobicContact CZ-CB 4.11Å; P797-T815 WeakPolarHBondContact CD-O 3.42Å; P797-T815 HydrophobicContact CG-CG2 4.31Å; P797-T815 PolarHBondContact O-N 3.11Å; P797-F846 HydrophobicContact CG-CD2 3.88Å; P797-F846 HydrophobicContact CG-CE2 4.15Å; P797-F846 HydrophobicContact CG-CG 4.1Å
798	L	97.8	Very high	93.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	146.4	172.5	-69.6	168.4	0	0	0	110.6	W812 V813 R814 F859 A860 H862 Y863	L798-W812 HydrophobicContact CB-CE3 3.7Å; L798-W812 HydrophobicContact CB-CZ3 4.29Å; L798-W812 HydrophobicContact CD1-CB 4.5Å; L798-W812 HydrophobicContact CD2-CB 4.26Å; L798-V813 CarbonylContact C-O 3.49Å; L798-V813 WeakPolarHBondContact CA-O 3.45Å; L798-R814 VanDerWaalsContact CD2-CD 3.49Å; L798-R814 HydrophobicContact CD2-CG 4.01Å; L798-F859 WeakPolarHBondContact O-CA 2.96Å; L798-A860 PolarHBondContact N-O 3.47Å; L798-A860 PolarHBondContact O-N 3.14Å; L798-H862 VanDerWaalsContact CD1-C 3.4Å; L798-Y863 HydrophobicContact CD1-CD1 3.35Å; L798-Y863 HydrophobicContact CD1-CD2 4.09Å; L798-Y863 HydrophobicContact CD1-CE1 3.49Å; L798-Y863 VanDerWaalsContact CD1-CE1 3.49Å; L798-Y863 HydrophobicContact CD1-CE2 4.18Å; L798-Y863 HydrophobicContact CD1-CG 3.64Å; L798-Y863 VanDerWaalsContact CD1-N 3.32Å; L798-Y863 HydrophobicContact CD2-CD1 4.21Å; L798-Y863 HydrophobicContact CD2-CE1 3.49Å; L798-Y863 VanDerWaalsContact CD2-CE1 3.49Å; L798-Y863 HydrophobicContact CG-CD1 4.42Å; L798-Y863 HydrophobicContact CG-CE1 4.16Å
799	M	97.9	Very high	93.7	Very high	24 Å²	24	23.3 Å²	23.3	12%	0.118	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.5	170.3	-174.6	-174.1	81.8	0	0	110.4	V813 T815 V848 F850 C857 Y858 F859	M799-V813 PolarHBondContact N-O 2.71Å; M799-V813 WeakPolarHBondContact O-CG2 3.41Å; M799-V813 PolarHBondContact O-N 2.89Å; M799-T815 HydrophobicContact CB-CG2 3.54Å; M799-T815 HydrophobicContact SD-CG2 4.37Å; M799-V848 HydrophobicContact SD-CG1 4.06Å; M799-F850 HydrophobicContact SD-CD1 4.35Å; M799-F850 HydrophobicContact SD-CE1 4.06Å; M799-C857 HydrophobicContact CG-CB 4.2Å; M799-C857 HydrophobicContact SD-CB 4.34Å; M799-Y858 CarbonylContact C-O 3.55Å; M799-Y858 WeakPolarHBondContact CA-O 3.37Å; M799-F859 HydrophobicContact CB-CD1 4.08Å; M799-F859 HydrophobicContact CB-CE1 3.84Å; M799-F859 HydrophobicContact CB-CZ 4.45Å; M799-F859 HydrophobicContact CG-CD1 4.22Å; M799-F859 HydrophobicContact CG-CE1 3.74Å; M799-F859 HydrophobicContact CG-CE2 4.39Å; M799-F859 HydrophobicContact CG-CZ 3.84Å; M799-F859 HydrophobicContact SD-CE1 3.83Å; M799-F859 HydrophobicContact SD-CZ 3.63Å
800	Y	97.9	Very high	93.8	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.7	170.1	-173.8	-76.1	0	0	0	108.2	Y663 P664 G668 H669 A805 P810 W812 C857 Y858	Y663-Y800 AromaticContact CD1-CE1 3.76Å; Y663-Y800 HydrophobicContact CD1-CE1 3.76Å; Y663-Y800 HydrophobicContact CE1-CE1 4.19Å; P664-Y800 HydrophobicContact CB-CD1 4.13Å; P664-Y800 HydrophobicContact CB-CD2 3.84Å; P664-Y800 HydrophobicContact CB-CE1 4.23Å; P664-Y800 HydrophobicContact CB-CE2 3.94Å; P664-Y800 HydrophobicContact CB-CG 3.92Å; P664-Y800 HydrophobicContact CG-CD1 3.69Å; P664-Y800 HydrophobicContact CG-CD2 4.21Å; P664-Y800 HydrophobicContact CG-CE1 4.07Å; P664-Y800 HydrophobicContact CG-CG 3.75Å; G668-Y800 PolarHBondContact O-OH 3.07Å; H669-Y800 HydrophobicContact CB-CD2 4.37Å; H669-Y800 HydrophobicContact CB-CE2 3.8Å; Y800-A805 HydrophobicContact CE1-CB 3.56Å; Y800-A805 WeakPolarHBondContact OH-CB 3.42Å; Y800-P810 HydrophobicContact CE2-CB 4.34Å; Y800-P810 WeakPolarHBondContact OH-CB 3.36Å; Y800-W812 AromaticContact CD2-CD1 3.91Å; Y800-W812 HydrophobicContact CD2-CD2 4.22Å; Y800-W812 HydrophobicContact CD2-CG 4.09Å; Y800-W812 AromaticContact CD2-NE1 3.92Å; Y800-W812 HydrophobicContact CG-CD2 4.45Å; Y800-C857 CarbonylContact O-C 3.55Å; Y800-C857 VanDerWaalsContact O-CA 3.29Å; Y800-C857 WeakPolarHBondContact O-CA 3.2Å; Y800-Y858 PolarHBondContact N-O 2.95Å; Y800-Y858 PolarHBondContact O-N 2.9Å
801	S	97.3	Very high	94	Very high	8 Å²	8	24.3 Å²	24.3	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.2	176.2	157.6	0	0	0	0	109.4	Q803 E804 A805 D855	S801-Q803 PolarHBondContact OG-N 3.28Å; S801-E804 PolarHBondContact O-N 3.16Å; S801-E804 PolarHBondContact OG-N 3.27Å; S801-A805 WeakPolarHBondContact O-CB 3.3Å; S801-A805 PolarHBondContact O-N 3.13Å; S801-D855 VanDerWaalsContact CB-OD2 3.29Å; S801-D855 WeakPolarHBondContact CB-OD2 3.5Å; S801-D855 PolarHBondContact OG-OD2 2.75Å
802	V	96.6	Very high	94.1	Very high	15 Å²	15	24 Å²	24	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-38.4	176.7	169.3	0	0	0	0	110.9	Y663 A805 I806 D855 V856 Y858	Y663-V802 HydrophobicContact CD1-CG1 4.5Å; Y663-V802 HydrophobicContact CD1-CG2 3.84Å; Y663-V802 HydrophobicContact CD2-CG1 3.9Å; Y663-V802 HydrophobicContact CD2-CG2 3.92Å; Y663-V802 HydrophobicContact CE1-CG1 4.28Å; Y663-V802 HydrophobicContact CE1-CG2 4.36Å; Y663-V802 HydrophobicContact CE2-CG1 3.64Å; Y663-V802 HydrophobicContact CE2-CG2 4.42Å; Y663-V802 HydrophobicContact CG-CG1 4.34Å; Y663-V802 HydrophobicContact CG-CG2 3.61Å; V802-A805 WeakPolarHBondContact O-CB 3.24Å; V802-A805 PolarHBondContact O-N 3.43Å; V802-I806 HydrophobicContact CG1-CD1 3.78Å; V802-I806 HydrophobicContact CG1-CG1 4.38Å; V802-I806 WeakPolarHBondContact O-CG1 3.45Å; V802-I806 PolarHBondContact O-N 3.09Å; V802-D855 PolarHBondContact N-OD1 2.69Å; V802-V856 HydrophobicContact CB-CB 4.13Å; V802-V856 WeakPolarHBondContact CB-O 3.4Å; V802-V856 HydrophobicContact CG2-CB 3.89Å; V802-V856 HydrophobicContact CG2-CG1 4.23Å; V802-V856 WeakPolarHBondContact CG2-O 3.31Å; V802-V856 PolarHBondContact N-O 3.22Å; V802-Y858 HydrophobicContact CG2-CD2 4.43Å; V802-Y858 HydrophobicContact CG2-CE2 3.88Å
803	Q	95	Very high	94.3	Very high	73 Å²	73	26.5 Å²	26.5	34%	0.341	16%	0.155	S	C	.	.	H	α-helix	trans	-65.9	-37.1	175	-71.4	-173.5	33.5	0	0	113	S801 G807 H852 K853 D854 D855	S801-Q803 PolarHBondContact OG-N 3.28Å; Q803-G807 PolarHBondContact O-N 3.22Å; Q803-H852 HydrophobicContact CB-CB 4.42Å; Q803-K853 PolarHBondContact NE2-O 3.21Å; Q803-D854 PolarHBondContact NE2-O 3.37Å; Q803-D855 HydrophobicContact CG-CB 4.33Å; Q803-D855 WeakPolarHBondContact CG-OD1 3.29Å; Q803-D855 PolarHBondContact N-OD1 3.23Å
804	E	94.2	Very high	94.5	Very high	54 Å²	54	26.8 Å²	26.8	25%	0.252	16%	0.156	S	C	.	.	H	α-helix	trans	-66.3	-37.7	171.1	-74.1	-71.9	123.7	0	0	112.2	S801 G807 G808 K809 H852	S801-E804 PolarHBondContact O-N 3.16Å; S801-E804 PolarHBondContact OG-N 3.27Å; E804-G807 CarbonylContact O-C 3.56Å; E804-G807 WeakPolarHBondContact O-CA 3.35Å; E804-G807 PolarHBondContact O-N 2.98Å; E804-G808 PolarHBondContact O-N 3.48Å; E804-K809 CarbonylContact O-C 3.58Å; E804-K809 WeakPolarHBondContact O-CA 3.43Å; E804-K809 WeakPolarHBondContact O-CB 3.44Å; E804-K809 PolarHBondContact O-N 3.26Å; E804-K809 IonicContact OE1-NZ 3.57Å; E804-K809 PolarHBondContact OE1-NZ 3.02Å; E804-K809 WeakPolarHBondContact OE2-CD 3.36Å; E804-K809 VanDerWaalsContact OE2-CE 3.32Å; E804-K809 WeakPolarHBondContact OE2-CE 3.27Å; E804-K809 IonicContact OE2-NZ 3.37Å; E804-K809 PolarHBondContact OE2-NZ 3.33Å; E804-H852 IonicContact OE1-CE1 2.72Å; E804-H852 IonicContact OE1-NE2 3.48Å; E804-H852 PolarHBondContact OE1-NE2 3.02Å
805	A	92.4	Very high	94.7	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-47.4	176.7	0	0	0	0	0	112.5	Y663 Y800 S801 V802 G807 G808 P810	Y663-A805 HydrophobicContact CE1-CB 3.99Å; Y800-A805 HydrophobicContact CE1-CB 3.56Å; Y800-A805 WeakPolarHBondContact OH-CB 3.42Å; S801-A805 WeakPolarHBondContact O-CB 3.3Å; S801-A805 PolarHBondContact O-N 3.13Å; V802-A805 WeakPolarHBondContact O-CB 3.24Å; V802-A805 PolarHBondContact O-N 3.43Å; A805-G807 PolarHBondContact O-N 3.37Å; A805-G808 PolarHBondContact O-N 3.47Å; A805-P810 HydrophobicContact CB-CB 4.07Å
806	I	90.9	Very high	94.7	Very high	54 Å²	54	28 Å²	28	28%	0.277	16%	0.164	S	C	.	.	H	α-helix	trans	-62.7	-34.4	172.2	-64.3	167.8	0	0	0	110.4	P631 Y663 V802 G808	P631-I806 WeakPolarHBondContact CG-O 3.22Å; Y663-I806 VanDerWaalsContact OH-CG1 3.32Å; Y663-I806 WeakPolarHBondContact OH-CG1 3.4Å; V802-I806 HydrophobicContact CG1-CD1 3.78Å; V802-I806 HydrophobicContact CG1-CG1 4.38Å; V802-I806 WeakPolarHBondContact O-CG1 3.45Å; V802-I806 PolarHBondContact O-N 3.09Å; I806-G808 PolarHBondContact O-N 3.47Å
807	G	90.1	Very high	94.6	Very high	54 Å²	54	30.5 Å²	30.5	56%	0.557	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	11.9	169.6	0	0	0	0	0	115.7	Q803 E804 A805	Q803-G807 PolarHBondContact O-N 3.22Å; E804-G807 CarbonylContact O-C 3.56Å; E804-G807 WeakPolarHBondContact O-CA 3.35Å; E804-G807 PolarHBondContact O-N 2.98Å; A805-G807 PolarHBondContact O-N 3.37Å
808	G	88.4	Confident	94.4	Very high	37 Å²	37	33 Å²	33	38%	0.381	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	13.4	176.5	0	0	0	0	0	115.1	E804 A805 I806 P810	E804-G808 PolarHBondContact O-N 3.48Å; A805-G808 PolarHBondContact O-N 3.47Å; I806-G808 PolarHBondContact O-N 3.47Å; G808-P810 WeakPolarHBondContact O-CD 3.29Å
809	K	90.7	Very high	94.3	Very high	99 Å²	99	33.5 Å²	33.5	43%	0.43	20%	0.197	S	C	.	.			trans	-122.6	64.9	178.1	-69.7	172.7	-97.6	155.3	0	111.6	E804 Q811	E804-K809 CarbonylContact O-C 3.58Å; E804-K809 WeakPolarHBondContact O-CA 3.43Å; E804-K809 WeakPolarHBondContact O-CB 3.44Å; E804-K809 PolarHBondContact O-N 3.26Å; E804-K809 IonicContact OE1-NZ 3.57Å; E804-K809 PolarHBondContact OE1-NZ 3.02Å; E804-K809 WeakPolarHBondContact OE2-CD 3.36Å; E804-K809 VanDerWaalsContact OE2-CE 3.32Å; E804-K809 WeakPolarHBondContact OE2-CE 3.27Å; E804-K809 IonicContact OE2-NZ 3.37Å; E804-K809 PolarHBondContact OE2-NZ 3.33Å; K809-Q811 PolarHBondContact O-N 2.7Å
810	P	92.3	Very high	94.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.013	19%	0.191	C	C	.	.			trans	-72.2	77.3	177.1	31.2	-35.8	0	0	0	110.4	T633 L636 H669 I670 Y800 A805 G808	T633-P810 HydrophobicContact CG2-CG 4.47Å; L636-P810 HydrophobicContact CD1-CG 4.47Å; H669-P810 CarbonylContact C-O 3.56Å; H669-P810 VanDerWaalsContact CA-O 3.3Å; H669-P810 WeakPolarHBondContact CA-O 3.48Å; I670-P810 HydrophobicContact CG1-CG 4.42Å; I670-P810 PolarHBondContact N-O 2.8Å; Y800-P810 HydrophobicContact CE2-CB 4.34Å; Y800-P810 WeakPolarHBondContact OH-CB 3.36Å; A805-P810 HydrophobicContact CB-CB 4.07Å; G808-P810 WeakPolarHBondContact O-CD 3.29Å
811	Q	94	Very high	93.8	Very high	37 Å²	37	32.6 Å²	32.6	17%	0.173	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-133.1	133.7	-169.9	-73.8	175.6	15.4	0	0	110.9	I670 K809 V813	I670-Q811 HydrophobicContact CD1-CG 4.28Å; I670-Q811 HydrophobicContact CG1-CG 3.62Å; K809-Q811 PolarHBondContact O-N 2.7Å; Q811-V813 HydrophobicContact CB-CG1 4.34Å
812	W	96.4	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.			trans	-79.6	119.1	161.5	-75.2	98.9	0	0	0	108.9	P664 H669 P672 Y765 L798 Y800 Y858 A860 Y863 P864	P664-W812 HydrophobicContact CB-CZ2 3.68Å; P664-W812 HydrophobicContact CG-CH2 4.43Å; P664-W812 HydrophobicContact CG-CZ2 3.79Å; H669-W812 AromaticContact CD2-CD1 3.52Å; H669-W812 AromaticContact CE1-CD1 3.79Å; H669-W812 AromaticContact CE1-NE1 3.68Å; H669-W812 AromaticContact CG-CD1 3.44Å; H669-W812 VanDerWaalsContact CG-CD1 3.44Å; H669-W812 AromaticContact CG-NE1 3.76Å; H669-W812 AromaticContact ND1-CD1 3.63Å; H669-W812 AromaticContact ND1-NE1 3.47Å; H669-W812 PolarHBondContact ND1-NE1 2.95Å; H669-W812 AromaticContact NE2-CD1 3.71Å; P672-W812 VanDerWaalsContact CG-O 3.3Å; P672-W812 WeakPolarHBondContact CG-O 3.33Å; Y765-W812 HydrophobicContact CD2-CH2 4.16Å; Y765-W812 AromaticContact CE2-CH2 3.63Å; Y765-W812 HydrophobicContact CE2-CH2 3.63Å; Y765-W812 AromaticContact CE2-CZ2 3.9Å; Y765-W812 HydrophobicContact CE2-CZ2 3.9Å; L798-W812 HydrophobicContact CB-CE3 3.7Å; L798-W812 HydrophobicContact CB-CZ3 4.29Å; L798-W812 HydrophobicContact CD1-CB 4.5Å; L798-W812 HydrophobicContact CD2-CB 4.26Å; Y800-W812 AromaticContact CD2-CD1 3.91Å; Y800-W812 HydrophobicContact CD2-CD2 4.22Å; Y800-W812 HydrophobicContact CD2-CG 4.09Å; Y800-W812 AromaticContact CD2-NE1 3.92Å; Y800-W812 HydrophobicContact CG-CD2 4.45Å; W812-Y858 WeakPolarHBondContact CZ3-O 3.32Å; W812-A860 HydrophobicContact CE3-CB 4.47Å; W812-A860 HydrophobicContact CH2-CB 3.72Å; W812-A860 HydrophobicContact CZ3-CB 3.69Å; W812-Y863 HydrophobicContact CB-CD1 3.57Å; W812-Y863 HydrophobicContact CB-CE1 3.61Å; W812-Y863 HydrophobicContact CG-CD1 4.03Å; W812-P864 HydrophobicContact CH2-CG 4.08Å; W812-P864 HydrophobicContact CZ2-CG 3.56Å
813	V	95.2	Very high	93	Very high	54 Å²	54	32.7 Å²	32.7	33%	0.327	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147	-180	-63	0	0	0	0	111.4	L798 M799 Q811	L798-V813 CarbonylContact C-O 3.49Å; L798-V813 WeakPolarHBondContact CA-O 3.45Å; M799-V813 PolarHBondContact N-O 2.71Å; M799-V813 WeakPolarHBondContact O-CG2 3.41Å; M799-V813 PolarHBondContact O-N 2.89Å; Q811-V813 HydrophobicContact CB-CG1 4.34Å
814	R	96.1	Very high	92.7	Very high	18 Å²	18	30 Å²	30	7%	0.068	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.7	174	-65.5	-69.2	-178.2	171.2	2.5	109.3	E676 Q796 L798 H862 Q1131 I1132	E676-R814 HydrophobicContact CB-CG 4.36Å; E676-R814 WeakPolarHBondContact OE1-CB 3.38Å; E676-R814 PolarHBondContact OE1-N 2.99Å; E676-R814 VanDerWaalsContact OE2-CG 3.27Å; E676-R814 WeakPolarHBondContact OE2-CG 3.47Å; Q796-R814 HydrophobicContact CB-CB 3.91Å; Q796-R814 WeakPolarHBondContact O-CD 3.5Å; Q796-R814 PolarHBondContact O-NH1 3.22Å; L798-R814 VanDerWaalsContact CD2-CD 3.49Å; L798-R814 HydrophobicContact CD2-CG 4.01Å; R814-H862 PolarHBondContact NH2-CE1 2.99Å; R814-H862 VanDerWaalsContact NH2-CE1 3.32Å; R814-Q1131 HydrophobicContact CG-CB 4.36Å; R814-I1132 PolarHBondContact NH2-O 3.43Å
815	T	95.6	Very high	92.3	Very high	24 Å²	24	28.9 Å²	28.9	15%	0.147	17%	0.173	C	C	.	.			trans	-133.8	177.6	-172.3	-162.4	0	0	0	0	113.3	Q796 P797 M799 V848 F859	Q796-T815 WeakPolarHBondContact CB-O 3.37Å; Q796-T815 PolarHBondContact NE2-O 2.85Å; P797-T815 WeakPolarHBondContact CD-O 3.42Å; P797-T815 HydrophobicContact CG-CG2 4.31Å; P797-T815 PolarHBondContact O-N 3.11Å; M799-T815 HydrophobicContact CB-CG2 3.54Å; M799-T815 HydrophobicContact SD-CG2 4.37Å; T815-V848 HydrophobicContact CG2-CG2 4.4Å; T815-F859 HydrophobicContact CG2-CD1 4.48Å; T815-F859 HydrophobicContact CG2-CE1 3.95Å
816	G	95.4	Very high	92.1	Very high	6 Å²	6	29.4 Å²	29.4	6%	0.062	18%	0.175	C	C	.	.			trans	90.8	140.3	172.6	0	0	0	0	0	114.1	Q796 T847	Q796-G816 PolarHBondContact NE2-O 3.29Å; G816-T847 CarbonylContact C-O 3.57Å; G816-T847 VanDerWaalsContact CA-O 3.28Å; G816-T847 WeakPolarHBondContact CA-O 3.31Å
817	T	95.1	Very high	91.5	Very high	77 Å²	77	27.3 Å²	27.3	47%	0.472	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	177.5	169.2	60.4	0	0	0	0	110	I819 T847	T817-I819 WeakPolarHBondContact O-CG1 3.4Å; T817-I819 PolarHBondContact O-N 2.76Å; T817-T847 PolarHBondContact N-O 3.47Å; T817-T847 PolarHBondContact O-N 3Å; T817-T847 PolarHBondContact OG1-O 3.5Å
818	D	93.6	Very high	90.8	Very high	54 Å²	54	26.1 Å²	26.1	29%	0.289	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58	22.8	175.4	-90.4	29.8	0	0	0	114.5	V685 K689 C820	V685-D818 HydrophobicContact CG2-CB 4.48Å; V685-D818 WeakPolarHBondContact CG2-O 3.23Å; K689-D818 WeakPolarHBondContact CE-OD2 3.41Å; K689-D818 IonicContact NZ-OD2 3.82Å; K689-D818 PolarHBondContact NZ-OD2 3.02Å; D818-C820 PolarHBondContact O-N 2.86Å
819	I	95.4	Very high	89.9	Confident	10 Å²	10	24.4 Å²	24.4	5%	0.051	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.2	-170	-51.9	-167.7	0	0	0	110.9	L679 F791 Q796 T817 L844 T845 F846	L679-I819 HydrophobicContact CD2-CB 4.22Å; L679-I819 HydrophobicContact CD2-CD1 3.8Å; L679-I819 HydrophobicContact CD2-CG1 3.91Å; F791-I819 HydrophobicContact CB-CG2 3.91Å; F791-I819 HydrophobicContact CD1-CG2 4.19Å; F791-I819 HydrophobicContact CG-CG2 4.4Å; Q796-I819 HydrophobicContact CB-CD1 4.34Å; Q796-I819 HydrophobicContact CG-CD1 3.76Å; T817-I819 WeakPolarHBondContact O-CG1 3.4Å; T817-I819 PolarHBondContact O-N 2.76Å; I819-L844 HydrophobicContact CG2-CD1 4.22Å; I819-T845 VanDerWaalsContact CA-O 3.32Å; I819-T845 WeakPolarHBondContact CA-O 3.25Å; I819-F846 HydrophobicContact CD1-CB 4.25Å; I819-F846 HydrophobicContact CG1-CB 3.87Å
820	C	93.2	Very high	88.6	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.5	173	-165.8	0	0	0	0	112.4	V685 Q686 N792 D818 Y822 T845	V685-C820 HydrophobicContact CG1-CB 4.22Å; V685-C820 HydrophobicContact CG2-CB 4.48Å; Q686-C820 VanDerWaalsContact CA-SG 3.6Å; Q686-C820 WeakPolarHBondContact CB-SG 3.47Å; N792-C820 PolarHBondContact OD1-SG 3.14Å; D818-C820 PolarHBondContact O-N 2.86Å; C820-Y822 HydrophobicContact CB-CD1 4.32Å; C820-T845 HydrophobicContact CB-CG2 4.1Å; C820-T845 PolarHBondContact N-O 3.1Å; C820-T845 VanDerWaalsContact N-O 3.09Å; C820-T845 PolarHBondContact O-N 3.48Å
821	Y	92.9	Very high	87.3	Confident	5 Å²	5	23.9 Å²	23.9	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124	174.3	-169.2	-93.8	0	0	0	110.5	C784 K786 S789 N792 Y842 T843 L844	C784-Y821 HydrophobicContact CB-CE2 3.71Å; C784-Y821 VanDerWaalsContact CB-OH 3.23Å; C784-Y821 WeakPolarHBondContact CB-OH 3.08Å; K786-Y821 VanDerWaalsContact O-CE1 3.25Å; K786-Y821 WeakPolarHBondContact O-CE1 3.19Å; K786-Y821 PolarHBondContact O-OH 2.96Å; S789-Y821 VanDerWaalsContact CB-CG 3.48Å; N792-Y821 PolarHBondContact ND2-O 2.61Å; N792-Y821 PolarHBondContact OD1-N 3.13Å; Y821-Y842 HydrophobicContact CD1-CD1 4.34Å; Y821-Y842 AromaticContact CE1-CD1 3.84Å; Y821-Y842 HydrophobicContact CE1-CD1 3.84Å; Y821-Y842 AromaticContact CE1-CG 3.98Å; Y821-Y842 HydrophobicContact CE1-CG 3.98Å; Y821-T843 WeakPolarHBondContact CA-O 3.47Å; Y821-L844 HydrophobicContact CD2-CB 3.91Å; Y821-L844 HydrophobicContact CD2-CD1 4.41Å; Y821-L844 HydrophobicContact CE2-CB 4.33Å
822	Y	90.1	Very high	85.7	Confident	3 Å²	3	22.4 Å²	22.4	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	148.7	-171.5	57.7	-81.8	0	0	0	114.5	K689 I690 D693 C820 N824 Y842 T843 T845	K689-Y822 HydrophobicContact CB-CE1 4.04Å; I690-Y822 HydrophobicContact CG1-CD2 4.2Å; I690-Y822 HydrophobicContact CG1-CE2 4.46Å; D693-Y822 PolarHBondContact OD2-OH 3.06Å; D693-Y822 VanDerWaalsContact OD2-OH 3.12Å; C820-Y822 HydrophobicContact CB-CD1 4.32Å; Y822-N824 PolarHBondContact O-N 3.44Å; Y822-Y842 CarbonylContact O-C 3.42Å; Y822-Y842 VanDerWaalsContact O-CA 3.29Å; Y822-Y842 WeakPolarHBondContact O-CA 3.34Å; Y822-T843 HydrophobicContact CE1-CG2 4.16Å; Y822-T843 PolarHBondContact N-O 2.99Å; Y822-T843 VanDerWaalsContact N-O 3.15Å; Y822-T843 PolarHBondContact O-N 3.11Å; Y822-T845 HydrophobicContact CE1-CG2 3.78Å
823	K	86.9	Confident	83.9	Confident	22 Å²	22	22.8 Å²	22.8	10%	0.096	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	121.3	173.7	-172.7	179.6	-179.6	176.5	0	109.7	R325 S840 Y842 Y1200 E1203	R325-K823 PolarHBondContact NH2-O 3.11Å; K823-S840 WeakPolarHBondContact CE-OG 3.33Å; K823-Y842 VanDerWaalsContact CA-CD1 3.47Å; K823-Y842 HydrophobicContact CB-CD1 3.96Å; K823-Y842 HydrophobicContact CB-CE1 3.49Å; K823-Y842 VanDerWaalsContact CB-CE1 3.49Å; K823-Y842 HydrophobicContact CG-CE1 4.19Å; K823-Y842 HydrophobicContact CG-CE2 4.45Å; K823-Y1200 WeakPolarHBondContact CB-O 3.27Å; K823-E1203 IonicContact NZ-OE2 3.45Å; K823-E1203 PolarHBondContact NZ-OE2 3.1Å
824	N	88.2	Confident	82.1	Confident	17 Å²	17	23.9 Å²	23.9	9%	0.091	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-165.7	-174.9	73.7	30.9	0	0	0	111.6	I782 Y822 F826 Y841 Y842 T843	I782-N824 PolarHBondContact O-ND2 3.23Å; Y822-N824 PolarHBondContact O-N 3.44Å; N824-F826 WeakPolarHBondContact OD1-CB 3.31Å; N824-F826 PolarHBondContact OD1-N 2.75Å; N824-Y841 VanDerWaalsContact CG-O 3.25Å; N824-Y841 PolarHBondContact N-O 2.86Å; N824-Y841 PolarHBondContact OD1-O 3.19Å; N824-Y841 VanDerWaalsContact OD1-O 3.06Å; N824-Y842 VanDerWaalsContact ND2-C 3.31Å; N824-T843 VanDerWaalsContact CB-OG1 3.25Å; N824-T843 WeakPolarHBondContact CB-OG1 3.37Å; N824-T843 PolarHBondContact ND2-N 2.69Å; N824-T843 PolarHBondContact ND2-OG1 3.27Å
825	H	85.6	Confident	80	Confident	30 Å²	30	25.8 Å²	25.8	14%	0.139	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	2.7	-175.1	70.2	-91.8	0	0	0	114.2	F328 K330 N331	F328-H825 HydrophobicContact CD1-CB 3.47Å; F328-H825 VanDerWaalsContact CD1-CB 3.47Å; F328-H825 AromaticContact CD1-CD2 3.97Å; F328-H825 AromaticContact CD1-CG 3.65Å; F328-H825 HydrophobicContact CE1-CB 3.85Å; F328-H825 AromaticContact CE1-CD2 3.52Å; F328-H825 AromaticContact CE1-CG 3.45Å; F328-H825 VanDerWaalsContact CE1-CG 3.45Å; F328-H825 AromaticContact CE1-ND1 3.79Å; F328-H825 AromaticContact CE1-NE2 3.91Å; F328-H825 HydrophobicContact CG-CB 4.37Å; K330-H825 WeakPolarHBondContact CA-O 3.46Å; N331-H825 PolarHBondContact N-O 3.23Å; N331-H825 PolarHBondContact ND2-CD2 2.89Å; N331-H825 PolarHBondContact ND2-NE2 3.23Å
826	F	87.1	Confident	77.9	Confident	15 Å²	15	27.5 Å²	27.5	7%	0.066	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129	174	-62.8	-74.3	0	0	0	109.7	N331 R332 L333 I782 N824 S840 Y841	N331-F826 HydrophobicContact CB-CD1 3.72Å; N331-F826 HydrophobicContact CB-CE1 3.8Å; N331-F826 WeakPolarHBondContact O-CA 3.45Å; R332-F826 WeakPolarHBondContact O-CD1 3.26Å; R332-F826 VanDerWaalsContact O-CE1 3.3Å; R332-F826 WeakPolarHBondContact O-CE1 3.42Å; L333-F826 HydrophobicContact CD2-CB 3.94Å; L333-F826 HydrophobicContact CD2-CD1 4.11Å; L333-F826 HydrophobicContact CD2-CD2 4.31Å; L333-F826 HydrophobicContact CD2-CG 3.86Å; I782-F826 HydrophobicContact CB-CD2 4.04Å; I782-F826 HydrophobicContact CB-CE2 3.82Å; I782-F826 HydrophobicContact CD1-CD2 4.13Å; I782-F826 HydrophobicContact CD1-CE1 4.34Å; I782-F826 HydrophobicContact CD1-CE2 3.52Å; I782-F826 HydrophobicContact CD1-CZ 3.64Å; I782-F826 HydrophobicContact CG1-CE2 4.25Å; I782-F826 HydrophobicContact CG2-CE2 4.03Å; N824-F826 WeakPolarHBondContact OD1-CB 3.31Å; N824-F826 PolarHBondContact OD1-N 2.75Å; F826-S840 CarbonylContact O-C 3.57Å; F826-S840 VanDerWaalsContact O-CA 3.29Å; F826-S840 WeakPolarHBondContact O-CA 3.29Å; F826-S840 WeakPolarHBondContact O-CB 3.4Å; F826-Y841 HydrophobicContact CB-CD2 3.96Å; F826-Y841 PolarHBondContact O-N 3.07Å
827	A	79.5	Confident	75.8	Confident	9 Å²	9	31.5 Å²	31.5	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	153.9	-179	0	0	0	0	0	111.8	K330 N331 V369	K330-A827 HydrophobicContact CB-CB 4.4Å; N331-A827 PolarHBondContact O-N 3.42Å; V369-A827 HydrophobicContact CG1-CB 4.27Å
828	R	76.1	Confident	73.8	Confident	29 Å²	29	30 Å²	30	11%	0.109	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-98.5	140.9	163.2	-64.9	175.1	71.7	169.1	2.1	108.6	H759 E785 T833 K839 Y841	H759-R828 PolarHBondContact CE1-NH2 2.93Å; H759-R828 PolarHBondContact ND1-NH2 3.01Å; H759-R828 VanDerWaalsContact ND1-NH2 3.2Å; H759-R828 PolarHBondContact NE2-NH2 3.47Å; E785-R828 IonicContact OE1-CZ 2.68Å; E785-R828 IonicContact OE1-NH1 3.49Å; E785-R828 IonicContact OE1-NH2 3.46Å; E785-R828 PolarHBondContact OE1-NH2 3.5Å; R828-T833 HydrophobicContact CB-CG2 3.84Å; R828-K839 HydrophobicContact CB-CB 4.48Å; R828-K839 WeakPolarHBondContact CB-O 3.38Å; R828-K839 PolarHBondContact N-O 3.22Å; R828-Y841 HydrophobicContact CB-CE2 4.48Å; R828-Y841 HydrophobicContact CG-CD1 4.29Å; R828-Y841 HydrophobicContact CG-CD2 3.85Å; R828-Y841 HydrophobicContact CG-CE1 3.92Å; R828-Y841 HydrophobicContact CG-CE2 3.41Å; R828-Y841 VanDerWaalsContact CG-CE2 3.41Å; R828-Y841 HydrophobicContact CG-CG 4.28Å; R828-Y841 VanDerWaalsContact CG-CZ 3.46Å
829	S	68.6	Low	72.5	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.014	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-69.2	151.5	170.4	79.3	0	0	0	0	110.4	D366 V368 V831 A832 T833	D366-S829 WeakPolarHBondContact O-CB 3.38Å; D366-S829 PolarHBondContact O-OG 3.23Å; V368-S829 WeakPolarHBondContact O-CB 3.46Å; S829-V831 PolarHBondContact O-N 3.35Å; S829-A832 WeakPolarHBondContact O-CB 2.99Å; S829-A832 PolarHBondContact O-N 3.31Å; S829-A832 WeakPolarHBondContact OG-CB 3.16Å; S829-A832 PolarHBondContact OG-N 3.36Å; S829-T833 PolarHBondContact O-N 3.25Å; S829-T833 PolarHBondContact O-OG1 2.99Å
830	S	64.3	Low	71.6	Confident	32 Å²	32	30.1 Å²	30.1	22%	0.224	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-23	173.9	48.9	0	0	0	0	112.9	T833 G835	S830-T833 WeakPolarHBondContact CA-OG1 3.21Å; S830-T833 PolarHBondContact O-OG1 3.16Å; S830-G835 WeakPolarHBondContact O-CA 2.97Å; S830-G835 PolarHBondContact O-N 3.43Å
831	V	63.4	Low	71.4	Confident	58 Å²	58	30.1 Å²	30.1	35%	0.352	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-38.2	174.5	177.7	0	0	0	0	111.2	Q361 V365 S829	Q361-V831 HydrophobicContact CG-CG1 4.32Å; V365-V831 HydrophobicContact CG1-CG1 4.49Å; V365-V831 HydrophobicContact CG1-CG2 4.1Å; S829-V831 PolarHBondContact O-N 3.35Å
832	A	60.3	Low	71.4	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.041	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-45.2	174.9	0	0	0	0	0	111.3	I338 H759 S829 G834	I338-A832 HydrophobicContact CD1-CB 3.32Å; H759-A832 PolarHBondContact CE1-O 2.9Å; H759-A832 PolarHBondContact NE2-O 3Å; H759-A832 VanDerWaalsContact NE2-O 3.15Å; S829-A832 WeakPolarHBondContact O-CB 2.99Å; S829-A832 PolarHBondContact O-N 3.31Å; S829-A832 WeakPolarHBondContact OG-CB 3.16Å; S829-A832 PolarHBondContact OG-N 3.36Å; A832-G834 PolarHBondContact O-N 3.21Å
833	T	59.1	Low	71.6	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.055	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	28.9	-173.9	44.5	0	0	0	0	114.2	R828 S829 S830 G835 Q836 K839	R828-T833 HydrophobicContact CB-CG2 3.84Å; S829-T833 PolarHBondContact O-N 3.25Å; S829-T833 PolarHBondContact O-OG1 2.99Å; S830-T833 WeakPolarHBondContact CA-OG1 3.21Å; S830-T833 PolarHBondContact O-OG1 3.16Å; T833-G835 PolarHBondContact O-N 3.4Å; T833-G835 VanDerWaalsContact O-N 3.12Å; T833-Q836 WeakPolarHBondContact CB-O 3.07Å; T833-Q836 WeakPolarHBondContact O-CB 3.47Å; T833-Q836 PolarHBondContact O-N 3.44Å; T833-Q836 PolarHBondContact OG1-O 2.95Å; T833-K839 HydrophobicContact CG2-CB 4.23Å; T833-K839 HydrophobicContact CG2-CD 4.13Å; T833-K839 HydrophobicContact CG2-CG 4.32Å
834	G	57.3	Low	72.1	Confident	77 Å²	77	30.4 Å²	30.4	79%	0.794	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	24.9	177	0	0	0	0	0	114.6	A832	A832-G834 PolarHBondContact O-N 3.21Å
835	G	53.1	Low	72.5	Confident	57 Å²	57	29.6 Å²	29.6	59%	0.588	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.8	-5.8	-175.7	0	0	0	0	0	115.4	S830 T833	S830-G835 WeakPolarHBondContact O-CA 2.97Å; S830-G835 PolarHBondContact O-N 3.43Å; T833-G835 PolarHBondContact O-N 3.4Å; T833-G835 VanDerWaalsContact O-N 3.12Å
836	Q	50.2	Low	73.1	Confident	60 Å²	60	28.2 Å²	28.2	28%	0.28	19%	0.188	S	C	.	.			trans	-76.2	130.3	176.5	-60	-174.9	-54.3	0	0	111.2	D387 T833 K839	D387-Q836 PolarHBondContact OD1-NE2 3.1Å; T833-Q836 WeakPolarHBondContact CB-O 3.07Å; T833-Q836 WeakPolarHBondContact O-CB 3.47Å; T833-Q836 PolarHBondContact O-N 3.44Å; T833-Q836 PolarHBondContact OG1-O 2.95Å; Q836-K839 VanDerWaalsContact OE1-CE 3.31Å
837	K	52.4	Low	73.6	Confident	91 Å²	91	28.5 Å²	28.5	40%	0.396	19%	0.191	S	C	.	.			trans	-75.9	168.1	-176.1	-58.5	-167.8	-176.3	-161.8	0	113.2	D373 K839	D373-K837 HydrophobicContact CB-CD 4.31Å; D373-K837 VanDerWaalsContact CG-NZ 3.29Å; D373-K837 IonicContact OD1-NZ 2.71Å; D373-K837 VanDerWaalsContact OD2-CD 3.3Å; D373-K837 WeakPolarHBondContact OD2-CD 3.42Å; D373-K837 WeakPolarHBondContact OD2-CE 3.25Å; D373-K837 IonicContact OD2-NZ 3.33Å; D373-K837 PolarHBondContact OD2-NZ 3.05Å; K837-K839 VanDerWaalsContact C-N 3.32Å; K837-K839 PolarHBondContact O-N 3.25Å
838	G	52.7	Low	74.4	Confident	44 Å²	44	28.1 Å²	28.1	45%	0.454	19%	0.188	S	C	.	.			trans	75.5	-14.2	152.1	0	0	0	0	0	119.6	S840	G838-S840 PolarHBondContact O-N 3.33Å
839	K	65.9	Low	75.4	Confident	52 Å²	52	30.4 Å²	30.4	23%	0.226	21%	0.205	C	C	.	.			trans	-64.9	136.1	-171.9	-54.3	-162.8	-171.9	-173.2	0	113	D387 R828 T833 Q836 K837	D387-K839 IonicContact OD1-NZ 2.87Å; D387-K839 IonicContact OD2-NZ 3.59Å; D387-K839 PolarHBondContact OD2-NZ 3.41Å; R828-K839 HydrophobicContact CB-CB 4.48Å; R828-K839 WeakPolarHBondContact CB-O 3.38Å; R828-K839 PolarHBondContact N-O 3.22Å; T833-K839 HydrophobicContact CG2-CB 4.23Å; T833-K839 HydrophobicContact CG2-CD 4.13Å; T833-K839 HydrophobicContact CG2-CG 4.32Å; Q836-K839 VanDerWaalsContact OE1-CE 3.31Å; K837-K839 VanDerWaalsContact C-N 3.32Å; K837-K839 PolarHBondContact O-N 3.25Å
840	S	77.5	Confident	76.7	Confident	16 Å²	16	30.5 Å²	30.5	11%	0.112	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	160.3	169.8	-44	0	0	0	0	110	K823 F826 G838 Y842	K823-S840 WeakPolarHBondContact CE-OG 3.33Å; F826-S840 CarbonylContact O-C 3.57Å; F826-S840 VanDerWaalsContact O-CA 3.29Å; F826-S840 WeakPolarHBondContact O-CA 3.29Å; F826-S840 WeakPolarHBondContact O-CB 3.4Å; G838-S840 PolarHBondContact O-N 3.33Å; S840-Y842 WeakPolarHBondContact O-CE2 3.25Å
841	Y	88.7	Confident	78	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	169.8	164.9	-68.4	-78.6	0	0	0	111.3	L333 I782 N783 C784 E785 N824 F826 R828	L333-Y841 HydrophobicContact CD1-CD2 4.02Å; L333-Y841 HydrophobicContact CD1-CE1 4.15Å; L333-Y841 HydrophobicContact CD1-CE2 3.44Å; L333-Y841 VanDerWaalsContact CD1-CE2 3.44Å; L333-Y841 HydrophobicContact CD2-CD2 4.16Å; L333-Y841 HydrophobicContact CD2-CE2 4.37Å; L333-Y841 HydrophobicContact CG-CD2 4.03Å; L333-Y841 HydrophobicContact CG-CE2 3.76Å; I782-Y841 WeakPolarHBondContact O-CB 3.41Å; N783-Y841 HydrophobicContact CB-CD1 4.15Å; N783-Y841 HydrophobicContact CB-CE1 4.26Å; N783-Y841 VanDerWaalsContact O-CD1 3.29Å; N783-Y841 WeakPolarHBondContact O-CD1 3.42Å; C784-Y841 WeakPolarHBondContact O-CA 3.29Å; E785-Y841 HydrophobicContact CG-CD1 4.03Å; E785-Y841 HydrophobicContact CG-CE1 3.83Å; N824-Y841 VanDerWaalsContact CG-O 3.25Å; N824-Y841 PolarHBondContact N-O 2.86Å; N824-Y841 PolarHBondContact OD1-O 3.19Å; N824-Y841 VanDerWaalsContact OD1-O 3.06Å; F826-Y841 HydrophobicContact CB-CD2 3.96Å; F826-Y841 PolarHBondContact O-N 3.07Å; R828-Y841 HydrophobicContact CB-CE2 4.48Å; R828-Y841 HydrophobicContact CG-CD1 4.29Å; R828-Y841 HydrophobicContact CG-CD2 3.85Å; R828-Y841 HydrophobicContact CG-CE1 3.92Å; R828-Y841 HydrophobicContact CG-CE2 3.41Å; R828-Y841 VanDerWaalsContact CG-CE2 3.41Å; R828-Y841 HydrophobicContact CG-CG 4.28Å; R828-Y841 VanDerWaalsContact CG-CZ 3.46Å
842	Y	92.2	Very high	79.4	Confident	28 Å²	28	34.8 Å²	34.8	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.3	-179.5	-69.2	-107.4	0	0	0	109.1	C784 K786 S787 Y821 Y822 K823 N824 S840	C784-Y842 WeakPolarHBondContact CB-O 3.44Å; C784-Y842 PolarHBondContact N-O 3Å; C784-Y842 PolarHBondContact O-N 3.32Å; K786-Y842 VanDerWaalsContact O-CD2 3.31Å; K786-Y842 WeakPolarHBondContact O-CD2 3.08Å; K786-Y842 VanDerWaalsContact O-CG 3.28Å; S787-Y842 WeakPolarHBondContact O-CD1 3.45Å; S787-Y842 WeakPolarHBondContact O-CE1 3.21Å; Y821-Y842 HydrophobicContact CD1-CD1 4.34Å; Y821-Y842 AromaticContact CE1-CD1 3.84Å; Y821-Y842 HydrophobicContact CE1-CD1 3.84Å; Y821-Y842 AromaticContact CE1-CG 3.98Å; Y821-Y842 HydrophobicContact CE1-CG 3.98Å; Y822-Y842 CarbonylContact O-C 3.42Å; Y822-Y842 VanDerWaalsContact O-CA 3.29Å; Y822-Y842 WeakPolarHBondContact O-CA 3.34Å; K823-Y842 VanDerWaalsContact CA-CD1 3.47Å; K823-Y842 HydrophobicContact CB-CD1 3.96Å; K823-Y842 HydrophobicContact CB-CE1 3.49Å; K823-Y842 VanDerWaalsContact CB-CE1 3.49Å; K823-Y842 HydrophobicContact CG-CE1 4.19Å; K823-Y842 HydrophobicContact CG-CE2 4.45Å; N824-Y842 VanDerWaalsContact ND2-C 3.31Å; S840-Y842 WeakPolarHBondContact O-CE2 3.25Å
843	T	94.9	Very high	80.8	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.1	175.5	-62.7	0	0	0	0	110	N780 I781 I782 Y821 Y822 N824	N780-T843 HydrophobicContact CB-CG2 3.85Å; I781-T843 VanDerWaalsContact O-CA 3.28Å; I781-T843 WeakPolarHBondContact O-CA 3.2Å; I782-T843 HydrophobicContact CG2-CG2 4.46Å; Y821-T843 WeakPolarHBondContact CA-O 3.47Å; Y822-T843 HydrophobicContact CE1-CG2 4.16Å; Y822-T843 PolarHBondContact N-O 2.99Å; Y822-T843 VanDerWaalsContact N-O 3.15Å; Y822-T843 PolarHBondContact O-N 3.11Å; N824-T843 VanDerWaalsContact CB-OG1 3.25Å; N824-T843 WeakPolarHBondContact CB-OG1 3.37Å; N824-T843 PolarHBondContact ND2-N 2.69Å; N824-T843 PolarHBondContact ND2-OG1 3.27Å
844	L	96.9	Very high	82	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.7	155.3	173.8	58.6	0	0	0	108.4	F764 N780 I781 F791 I819 Y821 F846	F764-L844 HydrophobicContact CE1-CD2 4.07Å; N780-L844 CarbonylContact C-O 3.58Å; N780-L844 WeakPolarHBondContact CA-O 3.37Å; I781-L844 HydrophobicContact CB-CB 4.34Å; I781-L844 HydrophobicContact CD1-CD2 4.38Å; I781-L844 PolarHBondContact N-O 3.12Å; I781-L844 PolarHBondContact O-N 2.83Å; F791-L844 HydrophobicContact CB-CD1 3.7Å; F791-L844 HydrophobicContact CD1-CD1 4.1Å; F791-L844 HydrophobicContact CD2-CD1 3.5Å; F791-L844 VanDerWaalsContact CD2-CD1 3.5Å; F791-L844 HydrophobicContact CD2-CD2 3.59Å; F791-L844 HydrophobicContact CD2-CG 4.16Å; F791-L844 HydrophobicContact CE1-CD2 4.35Å; F791-L844 HydrophobicContact CE2-CD1 4.15Å; F791-L844 HydrophobicContact CE2-CD2 3.34Å; F791-L844 HydrophobicContact CE2-CG 4.38Å; F791-L844 HydrophobicContact CG-CD1 3.49Å; F791-L844 VanDerWaalsContact CG-CD1 3.49Å; F791-L844 HydrophobicContact CG-CD2 4.22Å; F791-L844 HydrophobicContact CZ-CD2 3.77Å; I819-L844 HydrophobicContact CG2-CD1 4.22Å; Y821-L844 HydrophobicContact CD2-CB 3.91Å; Y821-L844 HydrophobicContact CD2-CD1 4.41Å; Y821-L844 HydrophobicContact CE2-CB 4.33Å; L844-F846 HydrophobicContact CG-CD1 4.27Å
845	T	97.2	Very high	83.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.5	172.4	-168.4	0	0	0	0	111	K689 R778 F779 N780 I819 C820 Y822	K689-T845 HydrophobicContact CB-CG2 4.34Å; K689-T845 HydrophobicContact CD-CG2 3.88Å; K689-T845 HydrophobicContact CG-CG2 3.74Å; R778-T845 WeakPolarHBondContact CD-OG1 3.28Å; F779-T845 WeakPolarHBondContact O-CA 3.39Å; F779-T845 PolarHBondContact O-OG1 3.01Å; N780-T845 WeakPolarHBondContact OD1-CB 3.43Å; N780-T845 PolarHBondContact OD1-OG1 3.31Å; I819-T845 VanDerWaalsContact CA-O 3.32Å; I819-T845 WeakPolarHBondContact CA-O 3.25Å; C820-T845 HydrophobicContact CB-CG2 4.1Å; C820-T845 PolarHBondContact N-O 3.1Å; C820-T845 VanDerWaalsContact N-O 3.09Å; C820-T845 PolarHBondContact O-N 3.48Å; Y822-T845 HydrophobicContact CE1-CG2 3.78Å
846	F	97.6	Very high	85.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	151.5	171.1	59.8	-82.4	0	0	0	110.2	F779 I781 P797 I819 L844 V848 F859	F779-F846 HydrophobicContact CB-CD1 4.41Å; F779-F846 HydrophobicContact CB-CD2 4.47Å; F779-F846 HydrophobicContact CB-CE1 3.96Å; F779-F846 HydrophobicContact CB-CE2 4.02Å; F779-F846 HydrophobicContact CB-CZ 3.75Å; F779-F846 HydrophobicContact CD2-CD2 4.15Å; F779-F846 AromaticContact CD2-CE2 3.68Å; F779-F846 HydrophobicContact CD2-CE2 3.68Å; F779-F846 HydrophobicContact CD2-CZ 4.19Å; F779-F846 HydrophobicContact CG-CE2 4.15Å; F779-F846 HydrophobicContact CG-CZ 4.19Å; F779-F846 PolarHBondContact N-O 3.17Å; F779-F846 PolarHBondContact O-N 3.27Å; I781-F846 HydrophobicContact CD1-CE1 4.43Å; P797-F846 HydrophobicContact CG-CD2 3.88Å; P797-F846 HydrophobicContact CG-CE2 4.15Å; P797-F846 HydrophobicContact CG-CG 4.1Å; I819-F846 HydrophobicContact CD1-CB 4.25Å; I819-F846 HydrophobicContact CG1-CB 3.87Å; L844-F846 HydrophobicContact CG-CD1 4.27Å; F846-V848 HydrophobicContact CD2-CG2 3.67Å; F846-V848 HydrophobicContact CE2-CG2 3.86Å; F846-F859 HydrophobicContact CE2-CD1 4.2Å; F846-F859 HydrophobicContact CE2-CE1 4.25Å
847	T	97.4	Very high	88.2	Confident	22 Å²	22	37.8 Å²	37.8	14%	0.135	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.7	-179.5	-52.3	0	0	0	0	110.3	Y777 G816 T817	Y777-T847 CarbonylContact O-C 3.58Å; Y777-T847 VanDerWaalsContact O-CA 3.32Å; Y777-T847 WeakPolarHBondContact O-CA 3.47Å; G816-T847 CarbonylContact C-O 3.57Å; G816-T847 VanDerWaalsContact CA-O 3.28Å; G816-T847 WeakPolarHBondContact CA-O 3.31Å; T817-T847 PolarHBondContact N-O 3.47Å; T817-T847 PolarHBondContact O-N 3Å; T817-T847 PolarHBondContact OG1-O 3.5Å
848	V	97.6	Very high	90.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.4	-177.5	-171.7	0	0	0	0	110.2	G776 Y777 F779 M799 T815 F846 F850 F859	G776-V848 WeakPolarHBondContact CA-O 3.29Å; Y777-V848 PolarHBondContact N-O 3.44Å; Y777-V848 PolarHBondContact O-N 3.46Å; F779-V848 HydrophobicContact CD2-CG2 4.13Å; F779-V848 HydrophobicContact CE2-CB 4.14Å; F779-V848 HydrophobicContact CE2-CG2 4Å; M799-V848 HydrophobicContact SD-CG1 4.06Å; T815-V848 HydrophobicContact CG2-CG2 4.4Å; F846-V848 HydrophobicContact CD2-CG2 3.67Å; F846-V848 HydrophobicContact CE2-CG2 3.86Å; V848-F850 HydrophobicContact CB-CE2 4.45Å; V848-F850 HydrophobicContact CB-CZ 4.44Å; V848-F850 HydrophobicContact CG1-CD1 4.46Å; V848-F850 HydrophobicContact CG1-CE1 4.21Å; V848-F850 HydrophobicContact CG1-CE2 4.4Å; V848-F850 HydrophobicContact CG1-CZ 4.19Å; V848-F859 HydrophobicContact CB-CZ 4.45Å; V848-F859 HydrophobicContact CG1-CE1 4.37Å; V848-F859 HydrophobicContact CG1-CZ 4.16Å; V848-F859 HydrophobicContact CG2-CE1 3.83Å; V848-F859 HydrophobicContact CG2-CZ 4.09Å
849	T	96.8	Very high	92.6	Very high	77 Å²	77	31.9 Å²	31.9	47%	0.472	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.2	171.1	-58.7	0	0	0	0	108.8
850	F	94.8	Very high	94.1	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.013	15%	0.152	C	C	.	.			trans	-77.8	138.8	-178	-62.4	-86.9	0	0	0	111.4	V768 M771 T773 G774 Y777 F779 M799 V848 C857 F859	V768-F850 HydrophobicContact CG1-CZ 4.36Å; M771-F850 HydrophobicContact CB-CB 4.14Å; M771-F850 HydrophobicContact CB-CD1 4.31Å; M771-F850 HydrophobicContact CB-CD2 3.52Å; M771-F850 HydrophobicContact CB-CE2 3.92Å; M771-F850 HydrophobicContact CB-CG 3.73Å; M771-F850 HydrophobicContact CB-CZ 4.47Å; M771-F850 HydrophobicContact CE-CD1 3.92Å; M771-F850 HydrophobicContact CE-CE1 3.88Å; M771-F850 HydrophobicContact CE-CZ 4.44Å; M771-F850 HydrophobicContact CG-CB 3.66Å; M771-F850 HydrophobicContact CG-CD1 3.88Å; M771-F850 HydrophobicContact CG-CD2 3.92Å; M771-F850 HydrophobicContact CG-CG 3.54Å; T773-F850 WeakPolarHBondContact CA-O 3.49Å; G774-F850 PolarHBondContact N-O 3.42Å; Y777-F850 AromaticContact CD2-CD2 3.6Å; Y777-F850 HydrophobicContact CD2-CD2 3.6Å; Y777-F850 AromaticContact CD2-CE2 3.66Å; Y777-F850 HydrophobicContact CD2-CE2 3.66Å; Y777-F850 AromaticContact CE2-CD2 3.95Å; Y777-F850 HydrophobicContact CE2-CD2 3.95Å; Y777-F850 HydrophobicContact CE2-CE2 4.28Å; Y777-F850 HydrophobicContact CG-CD2 4.48Å; Y777-F850 HydrophobicContact CG-CE2 4.1Å; F779-F850 HydrophobicContact CE2-CE2 4.48Å; F779-F850 HydrophobicContact CE2-CZ 4.34Å; F779-F850 HydrophobicContact CZ-CE2 4.35Å; F779-F850 HydrophobicContact CZ-CZ 4.19Å; M799-F850 HydrophobicContact SD-CD1 4.35Å; M799-F850 HydrophobicContact SD-CE1 4.06Å; V848-F850 HydrophobicContact CB-CE2 4.45Å; V848-F850 HydrophobicContact CB-CZ 4.44Å; V848-F850 HydrophobicContact CG1-CD1 4.46Å; V848-F850 HydrophobicContact CG1-CE1 4.21Å; V848-F850 HydrophobicContact CG1-CE2 4.4Å; V848-F850 HydrophobicContact CG1-CZ 4.19Å; F850-C857 HydrophobicContact CD1-CB 4.41Å; F850-C857 HydrophobicContact CE1-CB 3.82Å; F850-F859 AromaticContact CE1-CE2 3.98Å; F850-F859 HydrophobicContact CE1-CE2 3.98Å; F850-F859 AromaticContact CE1-CZ 3.75Å; F850-F859 HydrophobicContact CE1-CZ 3.75Å; F850-F859 AromaticContact CZ-CE2 3.94Å; F850-F859 HydrophobicContact CZ-CE2 3.94Å; F850-F859 AromaticContact CZ-CZ 3.76Å; F850-F859 HydrophobicContact CZ-CZ 3.76Å
851	I	92.8	Very high	95.1	Very high	137 Å²	137	28.8 Å²	28.8	70%	0.703	15%	0.148	S	C	*	.	S	Bend	trans	-82.4	-40	-179.8	-59.8	175.6	0	0	0	110.6	T773	T773-I851 WeakPolarHBondContact CG2-O 3.33Å
852	H	92.4	Very high	95.5	Very high	44 Å²	44	28.8 Å²	28.8	20%	0.204	15%	0.148	C	C	.	.	S	Bend	trans	-102.6	153.1	-172.4	-62.5	-41.1	0	0	0	112.2	T773 Q803 E804 D855	T773-H852 VanDerWaalsContact CG2-C 3.43Å; Q803-H852 HydrophobicContact CB-CB 4.42Å; E804-H852 IonicContact OE1-CE1 2.72Å; E804-H852 IonicContact OE1-NE2 3.48Å; E804-H852 PolarHBondContact OE1-NE2 3.02Å; H852-D855 HydrophobicContact CB-CB 3.94Å; H852-D855 IonicContact CD2-OD2 3.06Å
853	K	88.9	Confident	95.8	Very high	121 Å²	121	27.5 Å²	27.5	53%	0.526	14%	0.143	S	C	.	.	S	Bend	trans	-97	142.1	174.3	-163.5	-165	171.4	-69.3	0	108.1	T773 Q803 D855	T773-K853 HydrophobicContact CG2-CB 3.72Å; Q803-K853 PolarHBondContact NE2-O 3.21Å; K853-D855 PolarHBondContact O-N 3.01Å
854	D	85.4	Confident	96	Very high	101 Å²	101	27.4 Å²	27.4	54%	0.54	14%	0.142	S	C	.	.	S	Bend	trans	56	34.9	176.7	-42	-43.1	0	0	0	112.5	Q803	Q803-D854 PolarHBondContact NE2-O 3.37Å
855	D	94.9	Very high	96	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.032	14%	0.142	C	C	.	.			trans	-82.7	166	175.8	-162.1	6.7	0	0	0	110.7	S769 M771 S801 V802 Q803 H852 K853 C857	S769-D855 WeakPolarHBondContact CB-O 3.41Å; M771-D855 HydrophobicContact CE-CB 4.16Å; M771-D855 WeakPolarHBondContact CE-O 3.28Å; M771-D855 HydrophobicContact SD-CB 3.83Å; S801-D855 VanDerWaalsContact CB-OD2 3.29Å; S801-D855 WeakPolarHBondContact CB-OD2 3.5Å; S801-D855 PolarHBondContact OG-OD2 2.75Å; V802-D855 PolarHBondContact N-OD1 2.69Å; Q803-D855 HydrophobicContact CG-CB 4.33Å; Q803-D855 WeakPolarHBondContact CG-OD1 3.29Å; Q803-D855 PolarHBondContact N-OD1 3.23Å; H852-D855 HydrophobicContact CB-CB 3.94Å; H852-D855 IonicContact CD2-OD2 3.06Å; K853-D855 PolarHBondContact O-N 3.01Å; D855-C857 PolarHBondContact OD2-SG 2.78Å
856	V	97.1	Very high	96.1	Very high	41 Å²	41	27.5 Å²	27.5	25%	0.248	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113	166.9	-179.2	0	0	0	0	106.4	E767 V802 Y858	E767-V856 VanDerWaalsContact CD-CG1 3.41Å; E767-V856 HydrophobicContact CG-CG1 3.43Å; E767-V856 VanDerWaalsContact CG-CG1 3.43Å; V802-V856 HydrophobicContact CB-CB 4.13Å; V802-V856 WeakPolarHBondContact CB-O 3.4Å; V802-V856 HydrophobicContact CG2-CB 3.89Å; V802-V856 HydrophobicContact CG2-CG1 4.23Å; V802-V856 WeakPolarHBondContact CG2-O 3.31Å; V802-V856 PolarHBondContact N-O 3.22Å; V856-Y858 HydrophobicContact CG1-CD2 4.47Å; V856-Y858 HydrophobicContact CG1-CE2 3.7Å
857	C	98.1	Very high	96.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.2	-177.4	-79.4	0	0	0	0	110.5	E767 V768 M771 M799 Y800 F850 D855 F859	E767-C857 CarbonylContact C-O 3.53Å; V768-C857 PolarHBondContact N-O 3.07Å; V768-C857 PolarHBondContact O-N 3.01Å; M771-C857 HydrophobicContact CE-CB 3.83Å; M799-C857 HydrophobicContact CG-CB 4.2Å; M799-C857 HydrophobicContact SD-CB 4.34Å; Y800-C857 CarbonylContact O-C 3.55Å; Y800-C857 VanDerWaalsContact O-CA 3.29Å; Y800-C857 WeakPolarHBondContact O-CA 3.2Å; F850-C857 HydrophobicContact CD1-CB 4.41Å; F850-C857 HydrophobicContact CE1-CB 3.82Å; D855-C857 PolarHBondContact OD2-SG 2.78Å; C857-F859 HydrophobicContact CB-CE2 4.09Å
858	Y	98.7	Very high	96.2	Very high	12 Å²	12	26.5 Å²	26.5	5%	0.047	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.3	171.7	-62	-92.5	0	0	0	110	A662 Y663 P664 F731 Y765 F766 E767 M799 Y800 V802 W812 V856	A662-Y858 HydrophobicContact CB-CD1 4.18Å; A662-Y858 HydrophobicContact CB-CE1 3.77Å; Y663-Y858 PolarHBondContact N-OH 3.19Å; P664-Y858 HydrophobicContact CG-CD1 4.41Å; P664-Y858 HydrophobicContact CG-CD2 3.48Å; P664-Y858 VanDerWaalsContact CG-CD2 3.48Å; P664-Y858 HydrophobicContact CG-CE2 4.07Å; P664-Y858 HydrophobicContact CG-CG 3.69Å; F731-Y858 HydrophobicContact CE1-CD1 4.45Å; F731-Y858 HydrophobicContact CE1-CE1 4.05Å; F731-Y858 HydrophobicContact CZ-CD1 4.09Å; F731-Y858 HydrophobicContact CZ-CE1 4.14Å; Y765-Y858 HydrophobicContact CE2-CD1 4.11Å; Y765-Y858 HydrophobicContact CE2-CG 4.46Å; F766-Y858 CarbonylContact O-C 3.6Å; F766-Y858 WeakPolarHBondContact O-CA 3.21Å; E767-Y858 HydrophobicContact CB-CD1 3.82Å; E767-Y858 HydrophobicContact CB-CE1 3.59Å; E767-Y858 HydrophobicContact CG-CD1 4.04Å; E767-Y858 HydrophobicContact CG-CE1 3.57Å; E767-Y858 HydrophobicContact CG-CE2 4.37Å; E767-Y858 VanDerWaalsContact OE2-CE1 3.31Å; E767-Y858 WeakPolarHBondContact OE2-CE1 3.49Å; E767-Y858 PolarHBondContact OE2-OH 3.28Å; M799-Y858 CarbonylContact C-O 3.55Å; M799-Y858 WeakPolarHBondContact CA-O 3.37Å; Y800-Y858 PolarHBondContact N-O 2.95Å; Y800-Y858 PolarHBondContact O-N 2.9Å; V802-Y858 HydrophobicContact CG2-CD2 4.43Å; V802-Y858 HydrophobicContact CG2-CE2 3.88Å; W812-Y858 WeakPolarHBondContact CZ3-O 3.32Å; V856-Y858 HydrophobicContact CG1-CD2 4.47Å; V856-Y858 HydrophobicContact CG1-CE2 3.7Å
859	F	98.8	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.8	174.6	-71.9	-85.4	0	0	0	110.3	F764 Y765 F766 V768 F779 L798 M799 T815 F846 V848 F850 C857	F764-F859 HydrophobicContact CE2-CB 4.49Å; Y765-F859 VanDerWaalsContact CA-O 3.31Å; Y765-F859 WeakPolarHBondContact CA-O 3.41Å; F766-F859 HydrophobicContact CD2-CB 4.39Å; F766-F859 HydrophobicContact CE1-CB 4.23Å; F766-F859 HydrophobicContact CE2-CB 3.94Å; F766-F859 HydrophobicContact CE2-CD2 4.04Å; F766-F859 HydrophobicContact CE2-CG 4.27Å; F766-F859 HydrophobicContact CZ-CB 3.85Å; F766-F859 HydrophobicContact CZ-CG 4.39Å; F766-F859 PolarHBondContact N-O 3.42Å; F766-F859 PolarHBondContact O-N 3.29Å; V768-F859 HydrophobicContact CB-CD2 4.23Å; V768-F859 HydrophobicContact CB-CE2 4Å; V768-F859 HydrophobicContact CG2-CD2 3.66Å; V768-F859 HydrophobicContact CG2-CE2 3.79Å; F779-F859 HydrophobicContact CE2-CZ 4.48Å; L798-F859 WeakPolarHBondContact O-CA 2.96Å; M799-F859 HydrophobicContact CB-CD1 4.08Å; M799-F859 HydrophobicContact CB-CE1 3.84Å; M799-F859 HydrophobicContact CB-CZ 4.45Å; M799-F859 HydrophobicContact CG-CD1 4.22Å; M799-F859 HydrophobicContact CG-CE1 3.74Å; M799-F859 HydrophobicContact CG-CE2 4.39Å; M799-F859 HydrophobicContact CG-CZ 3.84Å; M799-F859 HydrophobicContact SD-CE1 3.83Å; M799-F859 HydrophobicContact SD-CZ 3.63Å; T815-F859 HydrophobicContact CG2-CD1 4.48Å; T815-F859 HydrophobicContact CG2-CE1 3.95Å; F846-F859 HydrophobicContact CE2-CD1 4.2Å; F846-F859 HydrophobicContact CE2-CE1 4.25Å; V848-F859 HydrophobicContact CB-CZ 4.45Å; V848-F859 HydrophobicContact CG1-CE1 4.37Å; V848-F859 HydrophobicContact CG1-CZ 4.16Å; V848-F859 HydrophobicContact CG2-CE1 3.83Å; V848-F859 HydrophobicContact CG2-CZ 4.09Å; F850-F859 AromaticContact CE1-CE2 3.98Å; F850-F859 HydrophobicContact CE1-CE2 3.98Å; F850-F859 AromaticContact CE1-CZ 3.75Å; F850-F859 HydrophobicContact CE1-CZ 3.75Å; F850-F859 AromaticContact CZ-CE2 3.94Å; F850-F859 HydrophobicContact CZ-CE2 3.94Å; F850-F859 AromaticContact CZ-CZ 3.76Å; F850-F859 HydrophobicContact CZ-CZ 3.76Å; C857-F859 HydrophobicContact CB-CE2 4.09Å
860	A	98.5	Very high	96.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149	179.2	0	0	0	0	0	112.9	F764 Y765 L798 W812 H862 P864	F764-A860 WeakPolarHBondContact O-CA 3.4Å; Y765-A860 HydrophobicContact CD2-CB 4.1Å; L798-A860 PolarHBondContact N-O 3.47Å; L798-A860 PolarHBondContact O-N 3.14Å; W812-A860 HydrophobicContact CE3-CB 4.47Å; W812-A860 HydrophobicContact CH2-CB 3.72Å; W812-A860 HydrophobicContact CZ3-CB 3.69Å; A860-H862 VanDerWaalsContact C-N 3.33Å; A860-H862 VanDerWaalsContact CB-O 3.31Å; A860-H862 WeakPolarHBondContact CB-O 3.44Å; A860-P864 HydrophobicContact CB-CG 4Å
861	Y	98	Very high	96.4	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.012	12%	0.123	C	C	.	.	S	Bend	trans	-63.8	-39.1	175.9	178.7	-91.9	0	0	0	111.8	Q762 W763 F764 F791 M795 L1119	Q762-Y861 HydrophobicContact CG-CD2 4.49Å; Q762-Y861 HydrophobicContact CG-CE2 3.87Å; Q762-Y861 PolarHBondContact NE2-OH 3.15Å; Q762-Y861 VanDerWaalsContact O-CD2 3.3Å; Q762-Y861 WeakPolarHBondContact O-CD2 3.48Å; W763-Y861 HydrophobicContact CE3-CD1 4.25Å; W763-Y861 HydrophobicContact CE3-CG 4.45Å; F764-Y861 HydrophobicContact CD1-CD2 4.06Å; F764-Y861 HydrophobicContact CD1-CG 4.42Å; F764-Y861 AromaticContact CE1-CD2 3.78Å; F764-Y861 HydrophobicContact CE1-CD2 3.78Å; F764-Y861 HydrophobicContact CE1-CG 4.31Å; F764-Y861 PolarHBondContact O-N 2.87Å; F791-Y861 HydrophobicContact CE2-CD2 4.13Å; F791-Y861 AromaticContact CE2-CE2 3.78Å; F791-Y861 HydrophobicContact CE2-CE2 3.78Å; F791-Y861 HydrophobicContact CZ-CD2 4.15Å; F791-Y861 HydrophobicContact CZ-CE2 4.13Å; M795-Y861 HydrophobicContact CE-CE1 4.19Å; M795-Y861 HydrophobicContact CE-CE2 4.23Å; M795-Y861 WeakPolarHBondContact CE-O 3.32Å; Y861-L1119 HydrophobicContact CE1-CB 4.31Å; Y861-L1119 HydrophobicContact CE1-CD1 3.79Å; Y861-L1119 HydrophobicContact CE1-CD2 4.29Å; Y861-L1119 HydrophobicContact CE1-CG 4.34Å
862	H	97.6	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-153.4	-178.6	169	-148.8	-31.7	0	0	0	109.7	L798 R814 A860 P864 L1119 I1132	L798-H862 VanDerWaalsContact CD1-C 3.4Å; R814-H862 PolarHBondContact NH2-CE1 2.99Å; R814-H862 VanDerWaalsContact NH2-CE1 3.32Å; A860-H862 VanDerWaalsContact C-N 3.33Å; A860-H862 VanDerWaalsContact CB-O 3.31Å; A860-H862 WeakPolarHBondContact CB-O 3.44Å; H862-P864 VanDerWaalsContact O-CD 3.24Å; H862-P864 WeakPolarHBondContact O-CD 3.24Å; H862-L1119 HydrophobicContact CB-CD2 4.37Å; H862-L1119 VanDerWaalsContact CD2-CA 3.45Å; H862-L1119 WeakPolarHBondContact CD2-CA 3.44Å; H862-L1119 VanDerWaalsContact CD2-CD2 3.48Å; H862-L1119 WeakPolarHBondContact CD2-CD2 3.25Å; H862-L1119 PolarHBondContact CD2-O 3.25Å; H862-L1119 PolarHBondContact NE2-O 2.64Å; H862-I1132 VanDerWaalsContact NE2-CG2 3.34Å; H862-I1132 WeakPolarHBondContact NE2-CG2 3.43Å
863	Y	97.8	Very high	96.8	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	8%	0.082	C	C	.	.			trans	-66.5	117	-168.5	-58.4	-75.5	0	0	0	109.3	L798 W812 T938 W942 I1132 T1134	L798-Y863 HydrophobicContact CD1-CD1 3.35Å; L798-Y863 HydrophobicContact CD1-CD2 4.09Å; L798-Y863 HydrophobicContact CD1-CE1 3.49Å; L798-Y863 VanDerWaalsContact CD1-CE1 3.49Å; L798-Y863 HydrophobicContact CD1-CE2 4.18Å; L798-Y863 HydrophobicContact CD1-CG 3.64Å; L798-Y863 VanDerWaalsContact CD1-N 3.32Å; L798-Y863 HydrophobicContact CD2-CD1 4.21Å; L798-Y863 HydrophobicContact CD2-CE1 3.49Å; L798-Y863 VanDerWaalsContact CD2-CE1 3.49Å; L798-Y863 HydrophobicContact CG-CD1 4.42Å; L798-Y863 HydrophobicContact CG-CE1 4.16Å; W812-Y863 HydrophobicContact CB-CD1 3.57Å; W812-Y863 HydrophobicContact CB-CE1 3.61Å; W812-Y863 HydrophobicContact CG-CD1 4.03Å; Y863-T938 WeakPolarHBondContact O-CB 3.39Å; Y863-T938 PolarHBondContact O-OG1 3.19Å; Y863-W942 PolarHBondContact O-NE1 3.02Å; Y863-I1132 WeakPolarHBondContact CE2-O 3.1Å; Y863-I1132 PolarHBondContact OH-O 3.41Å; Y863-T1134 HydrophobicContact CD1-CG2 3.96Å; Y863-T1134 HydrophobicContact CD2-CG2 3.5Å; Y863-T1134 HydrophobicContact CE2-CG2 4.13Å; Y863-T1134 HydrophobicContact CG-CG2 3.46Å; Y863-T1134 VanDerWaalsContact CG-CG2 3.46Å
864	P	97.9	Very high	97.3	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.057	C	C	.	.			trans	-57	147.7	-179.6	-27.7	38	0	0	0	112.2	W763 Y765 W812 A860 H862 W942	W763-P864 HydrophobicContact CH2-CG 4.46Å; Y765-P864 HydrophobicContact CD1-CB 4.23Å; Y765-P864 HydrophobicContact CD1-CG 4.02Å; Y765-P864 HydrophobicContact CD2-CG 4.25Å; Y765-P864 HydrophobicContact CE1-CB 3.78Å; Y765-P864 HydrophobicContact CE1-CG 3.73Å; Y765-P864 HydrophobicContact CE2-CG 4Å; Y765-P864 HydrophobicContact CG-CG 4.27Å; W812-P864 HydrophobicContact CH2-CG 4.08Å; W812-P864 HydrophobicContact CZ2-CG 3.56Å; A860-P864 HydrophobicContact CB-CG 4Å; H862-P864 VanDerWaalsContact O-CD 3.24Å; H862-P864 WeakPolarHBondContact O-CD 3.24Å; P864-W942 WeakPolarHBondContact O-CZ2 3.47Å
865	Y	98.1	Very high	97.8	Very high	6 Å²	6	7.9 Å²	7.9	2%	0.024	4%	0.044	C	C	.	.			trans	-151.5	94.3	171.5	-165.2	-71.3	0	0	0	106.8	T869 L870 H873 R932 W942 K945 M972	Y865-T869 HydrophobicContact CD2-CG2 4.4Å; Y865-T869 HydrophobicContact CE1-CG2 4.29Å; Y865-T869 HydrophobicContact CE2-CG2 4.13Å; Y865-L870 HydrophobicContact CE1-CB 3.96Å; Y865-L870 HydrophobicContact CE1-CD1 4.4Å; Y865-H873 PolarHBondContact OH-ND1 3.35Å; Y865-H873 VanDerWaalsContact OH-ND1 3.11Å; Y865-R932 PolarHBondContact O-NH1 3.03Å; Y865-R932 PolarHBondContact O-NH2 3.16Å; Y865-W942 HydrophobicContact CD2-CD2 4.05Å; Y865-W942 AromaticContact CD2-CE2 3.73Å; Y865-W942 HydrophobicContact CD2-CE3 4.41Å; Y865-W942 HydrophobicContact CD2-CH2 4.22Å; Y865-W942 AromaticContact CD2-CZ2 3.81Å; Y865-W942 HydrophobicContact CD2-CZ2 3.81Å; Y865-K945 HydrophobicContact CE2-CB 4.43Å; Y865-K945 HydrophobicContact CE2-CD 4.02Å; Y865-M972 HydrophobicContact CD1-CE 4.49Å
866	T	98.3	Very high	97.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.			trans	-76.5	168	-174.5	77.8	0	0	0	0	111.3	Y645 D665 E732 S868 T869 L870	Y645-T866 PolarHBondContact OH-OG1 3.28Å; Y645-T866 VanDerWaalsContact OH-OG1 3.14Å; D665-T866 HydrophobicContact CB-CG2 4.28Å; E732-T866 HydrophobicContact CG-CG2 4.37Å; E732-T866 VanDerWaalsContact OE1-CB 3.29Å; E732-T866 WeakPolarHBondContact OE1-CB 3.47Å; T866-S868 PolarHBondContact OG1-N 3.3Å; T866-T869 PolarHBondContact O-N 2.91Å; T866-T869 PolarHBondContact OG1-N 2.9Å; T866-T869 PolarHBondContact OG1-OG1 3.49Å; T866-L870 PolarHBondContact O-N 2.93Å; T866-L870 VanDerWaalsContact O-N 3.14Å
867	Y	98.6	Very high	97.7	Very high	1 Å²	1	7.7 Å²	7.7	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-74.3	-32.2	174.3	169.5	-109.5	0	0	0	111.1	T652 E732 L870 K871 N899 T900 M972 P975 V979	T652-Y867 HydrophobicContact CG2-CD1 4.06Å; E732-Y867 WeakPolarHBondContact OE1-CA 3.33Å; E732-Y867 WeakPolarHBondContact OE1-CB 3Å; E732-Y867 PolarHBondContact OE1-N 3.06Å; Y867-L870 HydrophobicContact CD2-CD2 4.44Å; Y867-L870 WeakPolarHBondContact O-CB 3.46Å; Y867-L870 PolarHBondContact O-N 3.42Å; Y867-K871 HydrophobicContact CD1-CD 4.36Å; Y867-K871 HydrophobicContact CE1-CD 3.68Å; Y867-K871 HydrophobicContact CE1-CG 4.28Å; Y867-K871 HydrophobicContact CE2-CD 4.38Å; Y867-K871 HydrophobicContact CE2-CG 4.17Å; Y867-K871 PolarHBondContact O-N 2.7Å; Y867-N899 HydrophobicContact CE1-CB 3.89Å; Y867-T900 WeakPolarHBondContact CE2-O 3.14Å; Y867-T900 PolarHBondContact OH-N 2.71Å; Y867-T900 VanDerWaalsContact OH-N 3.12Å; Y867-T900 PolarHBondContact OH-O 3.42Å; Y867-T900 PolarHBondContact OH-OG1 2.6Å; Y867-M972 HydrophobicContact CD2-SD 3.9Å; Y867-M972 HydrophobicContact CG-SD 4.4Å; Y867-P975 HydrophobicContact CD2-CB 3.72Å; Y867-P975 HydrophobicContact CD2-CG 4.17Å; Y867-P975 HydrophobicContact CE2-CB 3.8Å; Y867-P975 HydrophobicContact CE2-CG 4Å; Y867-P975 HydrophobicContact CG-CB 4.11Å; Y867-V979 HydrophobicContact CD1-CG2 3.89Å; Y867-V979 HydrophobicContact CG-CG2 4.16Å
868	S	98.2	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.5	-38.7	168.9	-60.1	0	0	0	0	112.2	V649 T652 E732 T866 L870 K871 M872	V649-S868 WeakPolarHBondContact CG2-OG 3.44Å; T652-S868 PolarHBondContact OG1-OG 3.19Å; E732-S868 PolarHBondContact OE1-N 3.45Å; E732-S868 WeakPolarHBondContact OE2-CB 3.4Å; E732-S868 PolarHBondContact OE2-OG 3.4Å; T866-S868 PolarHBondContact OG1-N 3.3Å; S868-L870 VanDerWaalsContact C-N 3.31Å; S868-L870 PolarHBondContact O-N 3.03Å; S868-K871 PolarHBondContact O-N 2.97Å; S868-M872 WeakPolarHBondContact O-CB 3.3Å; S868-M872 PolarHBondContact O-N 2.91Å
869	T	97.6	Very high	97.3	Very high	17 Å²	17	16.8 Å²	16.8	10%	0.104	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-41.7	171.5	-58.6	0	0	0	0	110.8	Y645 Y865 T866 H873	Y645-T869 WeakPolarHBondContact CE2-OG1 3.2Å; Y865-T869 HydrophobicContact CD2-CG2 4.4Å; Y865-T869 HydrophobicContact CE1-CG2 4.29Å; Y865-T869 HydrophobicContact CE2-CG2 4.13Å; T866-T869 PolarHBondContact O-N 2.91Å; T866-T869 PolarHBondContact OG1-N 2.9Å; T866-T869 PolarHBondContact OG1-OG1 3.49Å; T869-H873 WeakPolarHBondContact O-CB 3.17Å; T869-H873 PolarHBondContact O-N 3.29Å
870	L	98.4	Very high	96.8	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-53.8	174.9	179.7	59	0	0	0	111.8	Y865 T866 Y867 S868 M872 H873 L874 P971 M972	Y865-L870 HydrophobicContact CE1-CB 3.96Å; Y865-L870 HydrophobicContact CE1-CD1 4.4Å; T866-L870 PolarHBondContact O-N 2.93Å; T866-L870 VanDerWaalsContact O-N 3.14Å; Y867-L870 HydrophobicContact CD2-CD2 4.44Å; Y867-L870 WeakPolarHBondContact O-CB 3.46Å; Y867-L870 PolarHBondContact O-N 3.42Å; S868-L870 VanDerWaalsContact C-N 3.31Å; S868-L870 PolarHBondContact O-N 3.03Å; L870-M872 VanDerWaalsContact C-N 3.33Å; L870-M872 PolarHBondContact O-N 3Å; L870-H873 PolarHBondContact O-N 2.94Å; L870-L874 HydrophobicContact CD1-CD1 4.03Å; L870-L874 HydrophobicContact CD1-CD2 4.3Å; L870-L874 HydrophobicContact CD1-CG 3.95Å; L870-L874 HydrophobicContact CG-CD1 4.08Å; L870-L874 HydrophobicContact CG-CG 4.37Å; L870-L874 VanDerWaalsContact O-CG 3.31Å; L870-L874 WeakPolarHBondContact O-CG 3.44Å; L870-L874 PolarHBondContact O-N 3.31Å; L870-P971 HydrophobicContact CD1-CB 3.99Å; L870-P971 HydrophobicContact CD1-CG 4.11Å; L870-P971 HydrophobicContact CD2-CB 4.36Å; L870-P971 HydrophobicContact CD2-CG 4.14Å; L870-M972 HydrophobicContact CB-CE 4.41Å; L870-M972 HydrophobicContact CD2-CB 3.55Å; L870-M972 HydrophobicContact CD2-CE 4.09Å; L870-M972 HydrophobicContact CD2-SD 4.27Å
871	K	98.3	Very high	96.5	Very high	26 Å²	26	26 Å²	26	11%	0.113	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-43.6	-177.7	-71.1	-174.8	-74.4	174.5	0	112.1	M648 G651 T652 Y867 S868 L874 S875	M648-K871 HydrophobicContact CB-CB 4.12Å; M648-K871 HydrophobicContact CG-CB 3.78Å; M648-K871 PolarHBondContact O-NZ 2.65Å; M648-K871 HydrophobicContact SD-CB 3.57Å; M648-K871 VanDerWaalsContact SD-CB 3.57Å; M648-K871 HydrophobicContact SD-CD 4.31Å; G651-K871 VanDerWaalsContact C-NZ 3.26Å; G651-K871 PolarHBondContact O-NZ 3.48Å; T652-K871 WeakPolarHBondContact OG1-CE 3.38Å; T652-K871 PolarHBondContact OG1-NZ 3.28Å; Y867-K871 HydrophobicContact CD1-CD 4.36Å; Y867-K871 HydrophobicContact CE1-CD 3.68Å; Y867-K871 HydrophobicContact CE1-CG 4.28Å; Y867-K871 HydrophobicContact CE2-CD 4.38Å; Y867-K871 HydrophobicContact CE2-CG 4.17Å; Y867-K871 PolarHBondContact O-N 2.7Å; S868-K871 PolarHBondContact O-N 2.97Å; K871-L874 PolarHBondContact O-N 3.22Å; K871-S875 PolarHBondContact O-N 3.37Å; K871-S875 VanDerWaalsContact O-N 3.16Å
872	M	97.5	Very high	96.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-48.9	177.3	180	-72	-58.6	0	0	110.9	L639 H640 D641 L644 M648 S868 L870 L874 S875 K876	L639-M872 WeakPolarHBondContact O-CE 3.14Å; L639-M872 VanDerWaalsContact O-SD 3.35Å; H640-M872 HydrophobicContact CB-CE 4.33Å; H640-M872 VanDerWaalsContact ND1-CE 3.34Å; H640-M872 WeakPolarHBondContact ND1-CE 3.45Å; D641-M872 HydrophobicContact CB-SD 4.37Å; L644-M872 HydrophobicContact CB-CG 4.18Å; L644-M872 HydrophobicContact CD2-CG 4.07Å; L644-M872 HydrophobicContact CG-CG 4.02Å; M648-M872 HydrophobicContact CG-CB 4Å; S868-M872 WeakPolarHBondContact O-CB 3.3Å; S868-M872 PolarHBondContact O-N 2.91Å; L870-M872 VanDerWaalsContact C-N 3.33Å; L870-M872 PolarHBondContact O-N 3Å; M872-L874 PolarHBondContact O-N 3.14Å; M872-S875 WeakPolarHBondContact O-CB 3.42Å; M872-S875 PolarHBondContact O-N 3.31Å; M872-K876 PolarHBondContact O-N 3.32Å; M872-K876 HydrophobicContact SD-CG 3.95Å
873	H	97.1	Very high	95.9	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-42.1	178.3	174.9	-144.2	0	0	0	112.2	Y865 T869 L870 S875 K876 L877 E949	Y865-H873 PolarHBondContact OH-ND1 3.35Å; Y865-H873 VanDerWaalsContact OH-ND1 3.11Å; T869-H873 WeakPolarHBondContact O-CB 3.17Å; T869-H873 PolarHBondContact O-N 3.29Å; L870-H873 PolarHBondContact O-N 2.94Å; H873-S875 VanDerWaalsContact C-N 3.34Å; H873-S875 PolarHBondContact O-N 3.07Å; H873-K876 PolarHBondContact O-N 3.48Å; H873-L877 WeakPolarHBondContact O-CG 3.27Å; H873-L877 PolarHBondContact O-N 2.94Å; H873-E949 IonicContact NE2-OE1 3.58Å
874	L	97.7	Very high	95.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-41.2	176.5	-68.4	179.6	0	0	0	112.2	L870 K871 M872 K876 L877 E878 P902 L904 L948 P971	L870-L874 HydrophobicContact CD1-CD1 4.03Å; L870-L874 HydrophobicContact CD1-CD2 4.3Å; L870-L874 HydrophobicContact CD1-CG 3.95Å; L870-L874 HydrophobicContact CG-CD1 4.08Å; L870-L874 HydrophobicContact CG-CG 4.37Å; L870-L874 VanDerWaalsContact O-CG 3.31Å; L870-L874 WeakPolarHBondContact O-CG 3.44Å; L870-L874 PolarHBondContact O-N 3.31Å; K871-L874 PolarHBondContact O-N 3.22Å; M872-L874 PolarHBondContact O-N 3.14Å; L874-K876 PolarHBondContact O-N 3.29Å; L874-L877 HydrophobicContact CD2-CD1 4.39Å; L874-L877 PolarHBondContact O-N 3.18Å; L874-E878 PolarHBondContact O-N 2.94Å; L874-P902 HydrophobicContact CD1-CB 3.98Å; L874-P902 HydrophobicContact CD1-CG 4.25Å; L874-L904 HydrophobicContact CD1-CD2 4.48Å; L874-L904 HydrophobicContact CD2-CD1 3.69Å; L874-L904 HydrophobicContact CD2-CD2 4.3Å; L874-L948 HydrophobicContact CD2-CD1 4.07Å; L874-P971 HydrophobicContact CD1-CG 4.32Å
875	S	96.9	Very high	95.5	Very high	37 Å²	37	37 Å²	37	26%	0.259	19%	0.189	S	C	.	.	H	α-helix	trans	-60.4	-43.1	173.5	-167.5	0	0	0	0	111.8	K871 M872 H873 L877 E878 D879	K871-S875 PolarHBondContact O-N 3.37Å; K871-S875 VanDerWaalsContact O-N 3.16Å; M872-S875 WeakPolarHBondContact O-CB 3.42Å; M872-S875 PolarHBondContact O-N 3.31Å; H873-S875 VanDerWaalsContact C-N 3.34Å; H873-S875 PolarHBondContact O-N 3.07Å; S875-L877 PolarHBondContact O-N 3.3Å; S875-E878 PolarHBondContact O-N 2.86Å; S875-E878 VanDerWaalsContact O-N 3.16Å; S875-D879 PolarHBondContact O-N 3.48Å
876	K	95.3	Very high	95.4	Very high	38 Å²	38	37 Å²	37	17%	0.165	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-32.4	176.3	-66.5	-53.7	-170.2	-169.9	0	113.5	L639 D641 L644 M872 H873 L874 E878 D879 M880	L639-K876 HydrophobicContact CD2-CB 4.44Å; D641-K876 VanDerWaalsContact OD2-CE 3.27Å; D641-K876 WeakPolarHBondContact OD2-CE 3.42Å; D641-K876 IonicContact OD2-NZ 2.76Å; D641-K876 PolarHBondContact OD2-NZ 2.86Å; L644-K876 HydrophobicContact CD2-CD 4.11Å; L644-K876 HydrophobicContact CD2-CG 4.36Å; M872-K876 PolarHBondContact O-N 3.32Å; M872-K876 HydrophobicContact SD-CG 3.95Å; H873-K876 PolarHBondContact O-N 3.48Å; L874-K876 PolarHBondContact O-N 3.29Å; K876-E878 VanDerWaalsContact C-N 3.34Å; K876-D879 IonicContact NZ-OD2 2.81Å; K876-M880 WeakPolarHBondContact O-CG 3.42Å; K876-M880 PolarHBondContact O-N 2.85Å
877	L	94.9	Very high	95.3	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-35.9	171.1	-69.2	-179.1	0	0	0	111.9	L639 H873 L874 S875 M880 R881 L948 E949 M952	L639-L877 HydrophobicContact CD1-CD2 4.48Å; H873-L877 WeakPolarHBondContact O-CG 3.27Å; H873-L877 PolarHBondContact O-N 2.94Å; L874-L877 HydrophobicContact CD2-CD1 4.39Å; L874-L877 PolarHBondContact O-N 3.18Å; S875-L877 PolarHBondContact O-N 3.3Å; L877-M880 HydrophobicContact CD2-CE 3.72Å; L877-R881 PolarHBondContact O-N 3.06Å; L877-L948 HydrophobicContact CD1-CB 3.83Å; L877-L948 HydrophobicContact CD1-CD1 4.4Å; L877-E949 HydrophobicContact CD2-CG 4.25Å; L877-M952 HydrophobicContact CB-CG 4.3Å; L877-M952 HydrophobicContact CD1-CG 4.36Å; L877-M952 HydrophobicContact CD2-CB 4.2Å; L877-M952 HydrophobicContact CD2-CG 4.14Å; L877-M952 WeakPolarHBondContact O-CE 3.37Å
878	E	95.1	Very high	95.2	Very high	88 Å²	88	41.1 Å²	41.1	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-70.1	-40.5	174.5	-176.1	157.6	-154.5	0	0	112.5	L874 S875 K876 M880 R881 L887	L874-E878 PolarHBondContact O-N 2.94Å; S875-E878 PolarHBondContact O-N 2.86Å; S875-E878 VanDerWaalsContact O-N 3.16Å; K876-E878 VanDerWaalsContact C-N 3.34Å; E878-M880 PolarHBondContact O-N 2.97Å; E878-R881 WeakPolarHBondContact O-CB 3.24Å; E878-R881 PolarHBondContact O-N 2.7Å; E878-L887 HydrophobicContact CB-CD2 3.9Å; E878-L887 HydrophobicContact CG-CD2 4.19Å
879	D	93	Very high	95.1	Very high	116 Å²	116	45.2 Å²	45.2	62%	0.62	23%	0.225	S	C	*	.	H	α-helix	trans	-56.8	-37.9	173.2	-73.7	-32	0	0	0	112.2	S875 K876 R881	S875-D879 PolarHBondContact O-N 3.48Å; K876-D879 IonicContact NZ-OD2 2.81Å; D879-R881 VanDerWaalsContact C-N 3.29Å; D879-R881 PolarHBondContact O-N 3.29Å
880	M	88.3	Confident	95.1	Very high	97 Å²	97	45.4 Å²	45.4	48%	0.478	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.3	177.7	-72.3	-162.1	-57.7	0	0	114.9	L639 K876 L877 E878 T882	L639-M880 HydrophobicContact CD1-CE 4.18Å; L639-M880 HydrophobicContact CD2-CE 3.31Å; L639-M880 HydrophobicContact CD2-SD 3.58Å; L639-M880 VanDerWaalsContact CD2-SD 3.58Å; L639-M880 HydrophobicContact CG-CE 4.4Å; K876-M880 WeakPolarHBondContact O-CG 3.42Å; K876-M880 PolarHBondContact O-N 2.85Å; L877-M880 HydrophobicContact CD2-CE 3.72Å; E878-M880 PolarHBondContact O-N 2.97Å; M880-T882 PolarHBondContact O-N 3.22Å
881	R	92.5	Very high	95.1	Very high	97 Å²	97	48.8 Å²	48.8	37%	0.366	25%	0.247	S	C	.	.			trans	-65.7	103.8	-169.1	-176.5	-176.3	63.7	75.2	1.7	112.7	L877 E878 D879 I885 L887 M952	L877-R881 PolarHBondContact O-N 3.06Å; E878-R881 WeakPolarHBondContact O-CB 3.24Å; E878-R881 PolarHBondContact O-N 2.7Å; D879-R881 VanDerWaalsContact C-N 3.29Å; D879-R881 PolarHBondContact O-N 3.29Å; R881-I885 HydrophobicContact CG-CB 4.13Å; R881-I885 HydrophobicContact CG-CG2 4.29Å; R881-L887 HydrophobicContact CG-CB 4.31Å; R881-M952 HydrophobicContact CB-CE 4.09Å; R881-M952 HydrophobicContact CG-CE 4.23Å
882	T	91.9	Very high	95.1	Very high	41 Å²	41	48 Å²	48	25%	0.252	24%	0.243	S	C	.	.			trans	-64.8	152.8	173.6	74.1	0	0	0	0	112.1	M880 Q884 I885 T954	M880-T882 PolarHBondContact O-N 3.22Å; T882-Q884 PolarHBondContact O-N 3.37Å; T882-I885 PolarHBondContact O-N 3.21Å; T882-I885 WeakPolarHBondContact OG1-CD1 3.4Å; T882-T954 HydrophobicContact CG2-CG2 3.91Å
883	P	90.4	Very high	95.2	Very high	95 Å²	95	48.5 Å²	48.5	62%	0.617	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.2	178.8	-26.3	35.8	0	0	0	116.4	F440 M909	F440-P883 HydrophobicContact CE1-CB 4.34Å; P883-M909 WeakPolarHBondContact O-CG 3.39Å
884	Q	92	Very high	95.2	Very high	100 Å²	100	54.5 Å²	54.5	47%	0.467	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.6	174.3	-63.2	177.3	19.5	0	0	112.8	F440 T882 A908 M909	F440-Q884 HydrophobicContact CD1-CG 4.03Å; F440-Q884 HydrophobicContact CE1-CG 3.8Å; T882-Q884 PolarHBondContact O-N 3.37Å; Q884-A908 WeakPolarHBondContact O-CA 3.25Å; Q884-M909 PolarHBondContact O-N 3.38Å
885	I	95.6	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.4	-176.8	-58.8	170.4	0	0	0	109.3	R881 T882 L887 I906 M952	R881-I885 HydrophobicContact CG-CB 4.13Å; R881-I885 HydrophobicContact CG-CG2 4.29Å; T882-I885 PolarHBondContact O-N 3.21Å; T882-I885 WeakPolarHBondContact OG1-CD1 3.4Å; I885-L887 HydrophobicContact CG2-CB 4.46Å; I885-L887 PolarHBondContact O-N 3.45Å; I885-I906 HydrophobicContact CG2-CG2 4.43Å; I885-M952 HydrophobicContact CD1-CE 4.43Å; I885-M952 WeakPolarHBondContact CD1-O 3.42Å; I885-M952 HydrophobicContact CG2-CE 4.03Å; I885-M952 HydrophobicContact CG2-SD 3.87Å
886	Y	95.6	Very high	95.2	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.1	161.1	-172.5	-88.2	0	0	0	107.3	S427 E428 E431 F433 R888 T905 I906 T907 M909 F921	S427-Y886 PolarHBondContact OG-OH 2.87Å; E428-Y886 HydrophobicContact CB-CE1 4.09Å; E431-Y886 VanDerWaalsContact OE2-CE2 3.23Å; E431-Y886 WeakPolarHBondContact OE2-CE2 3.37Å; E431-Y886 PolarHBondContact OE2-OH 2.68Å; F433-Y886 AromaticContact CE1-CD2 3.94Å; F433-Y886 HydrophobicContact CE1-CD2 3.94Å; F433-Y886 AromaticContact CE1-CE2 3.86Å; F433-Y886 HydrophobicContact CE1-CE2 3.86Å; F433-Y886 HydrophobicContact CZ-CE2 4.35Å; Y886-R888 HydrophobicContact CE1-CB 4.14Å; Y886-T905 HydrophobicContact CD1-CG2 4.04Å; Y886-T905 HydrophobicContact CE1-CG2 3.81Å; Y886-I906 WeakPolarHBondContact O-CA 3.44Å; Y886-T907 HydrophobicContact CD1-CG2 3.95Å; Y886-T907 HydrophobicContact CG-CG2 4.08Å; Y886-T907 PolarHBondContact N-O 2.76Å; Y886-T907 PolarHBondContact O-N 2.88Å; Y886-M909 HydrophobicContact CD2-SD 3.83Å; Y886-M909 HydrophobicContact CG-SD 4.39Å; Y886-F921 HydrophobicContact CD1-CZ 4.39Å; Y886-F921 HydrophobicContact CD2-CE2 4.46Å; Y886-F921 HydrophobicContact CD2-CZ 4.05Å; Y886-F921 HydrophobicContact CE2-CZ 4.36Å; Y886-F921 HydrophobicContact CG-CE2 4.34Å; Y886-F921 HydrophobicContact CG-CZ 4.05Å
887	L	96.4	Very high	95.2	Very high	24 Å²	24	53.9 Å²	53.9	13%	0.126	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.3	166.7	171.9	67.6	0	0	0	106.4	E878 R881 I885 T905 I906 M952	E878-L887 HydrophobicContact CB-CD2 3.9Å; E878-L887 HydrophobicContact CG-CD2 4.19Å; R881-L887 HydrophobicContact CG-CB 4.31Å; I885-L887 HydrophobicContact CG2-CB 4.46Å; I885-L887 PolarHBondContact O-N 3.45Å; L887-T905 CarbonylContact C-O 3.58Å; L887-T905 WeakPolarHBondContact CA-O 3.3Å; L887-I906 HydrophobicContact CD1-CD1 4.22Å; L887-I906 HydrophobicContact CD1-CG1 3.78Å; L887-M952 HydrophobicContact CB-CE 4.42Å; L887-M952 HydrophobicContact CD2-CE 3.89Å
888	R	95.8	Very high	95.3	Very high	62 Å²	62	55.4 Å²	55.4	23%	0.234	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	127.8	165.7	178.5	170.5	170.9	-106.7	-4.1	108.7	K424 F425 S427 Y886 D890 L904 T905	K424-R888 PolarHBondContact O-NH1 3.25Å; K424-R888 PolarHBondContact O-NH2 3.48Å; F425-R888 PolarHBondContact O-NH1 3.15Å; S427-R888 WeakPolarHBondContact OG-CD 3.48Å; S427-R888 PolarHBondContact OG-NE 3.02Å; S427-R888 PolarHBondContact OG-NH1 3.21Å; S427-R888 VanDerWaalsContact OG-NH1 3.08Å; Y886-R888 HydrophobicContact CE1-CB 4.14Å; R888-D890 VanDerWaalsContact CZ-CG 3.47Å; R888-D890 IonicContact CZ-OD1 3.47Å; R888-D890 IonicContact CZ-OD2 3.67Å; R888-D890 IonicContact NE-OD1 3.68Å; R888-D890 PolarHBondContact NE-OD1 3.08Å; R888-D890 IonicContact NE-OD2 3.39Å; R888-D890 IonicContact NH1-OD1 3.06Å; R888-D890 IonicContact NH1-OD2 3.06Å; R888-D890 PolarHBondContact NH1-OD2 3.08Å; R888-D890 IonicContact NH2-OD1 2.66Å; R888-D890 PolarHBondContact NH2-OD1 3.32Å; R888-D890 IonicContact NH2-OD2 2.7Å; R888-D890 PolarHBondContact NH2-OD2 3.47Å; R888-L904 CarbonylContact O-C 3.56Å; R888-L904 WeakPolarHBondContact O-CA 3.47Å; R888-T905 PolarHBondContact N-O 3.33Å; R888-T905 PolarHBondContact O-N 3.01Å
889	Q	97.1	Very high	95.5	Very high	86 Å²	86	51.3 Å²	51.3	40%	0.402	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.1	173.7	-178.9	161.4	-61.8	0	0	109.3	L904	Q889-L904 HydrophobicContact CB-CD2 3.99Å; Q889-L904 HydrophobicContact CG-CD2 3.89Å
890	D	97.9	Very high	95.7	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.112	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	153.6	174.4	-74.3	-44.7	0	0	0	109.8	F425 R888 L903 K968	F425-D890 HydrophobicContact CD1-CB 3.83Å; F425-D890 HydrophobicContact CE1-CB 4.07Å; R888-D890 VanDerWaalsContact CZ-CG 3.47Å; R888-D890 IonicContact CZ-OD1 3.47Å; R888-D890 IonicContact CZ-OD2 3.67Å; R888-D890 IonicContact NE-OD1 3.68Å; R888-D890 PolarHBondContact NE-OD1 3.08Å; R888-D890 IonicContact NE-OD2 3.39Å; R888-D890 IonicContact NH1-OD1 3.06Å; R888-D890 IonicContact NH1-OD2 3.06Å; R888-D890 PolarHBondContact NH1-OD2 3.08Å; R888-D890 IonicContact NH2-OD1 2.66Å; R888-D890 PolarHBondContact NH2-OD1 3.32Å; R888-D890 IonicContact NH2-OD2 2.7Å; R888-D890 PolarHBondContact NH2-OD2 3.47Å; D890-L903 HydrophobicContact CB-CB 4.07Å; D890-L903 HydrophobicContact CB-CD2 4.1Å; D890-L903 HydrophobicContact CB-CG 4.43Å; D890-L903 PolarHBondContact N-O 2.8Å; D890-L903 PolarHBondContact O-N 3.46Å; D890-K968 IonicContact OD2-NZ 3.42Å
891	V	98.2	Very high	96.2	Very high	75 Å²	75	43.5 Å²	43.5	46%	0.455	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.9	158.1	175.1	0	0	0	0	107.3	F425 C893 T900	F425-V891 WeakPolarHBondContact CE1-O 3.5Å; V891-C893 WeakPolarHBondContact CG1-O 3.47Å; V891-T900 HydrophobicContact CG1-CG2 3.99Å; V891-T900 HydrophobicContact CG2-CG2 3.98Å
892	L	98.3	Very high	96.5	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-47.1	178.3	176.5	53.5	0	0	0	111.3	F425 C901 L903 V970 H1009 T1010 L1013	F425-L892 HydrophobicContact CE2-CD1 4.14Å; F425-L892 HydrophobicContact CZ-CD1 4.19Å; L892-C901 HydrophobicContact CB-CB 4.38Å; L892-C901 WeakPolarHBondContact CB-O 3.41Å; L892-C901 PolarHBondContact N-O 3.14Å; L892-L903 HydrophobicContact CB-CB 4.07Å; L892-L903 HydrophobicContact CB-CD2 4.5Å; L892-L903 HydrophobicContact CD1-CD2 4.28Å; L892-V970 HydrophobicContact CD2-CG2 4.18Å; L892-H1009 HydrophobicContact CD1-CB 3.65Å; L892-H1009 HydrophobicContact CD2-CB 4.2Å; L892-H1009 HydrophobicContact CG-CB 3.71Å; L892-T1010 WeakPolarHBondContact CD2-OG1 3.37Å; L892-L1013 HydrophobicContact CD1-CD1 3.69Å; L892-L1013 HydrophobicContact CD1-CD2 4.42Å; L892-L1013 HydrophobicContact CD1-CG 3.99Å; L892-L1013 HydrophobicContact CD2-CD1 4.25Å
893	C	98.3	Very high	96.8	Very high	13 Å²	13	37.2 Å²	37.2	9%	0.088	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	170.4	-178.3	53.3	0	0	0	0	109.6	V891 C901 H1009	V891-C893 WeakPolarHBondContact CG1-O 3.47Å; C893-C901 PolarHBondContact O-N 2.86Å; C893-H1009 HydrophobicContact CB-CB 4.35Å; C893-H1009 WeakPolarHBondContact CB-CD2 3.32Å
894	E	98	Very high	97.2	Very high	129 Å²	129	32.8 Å²	32.8	60%	0.603	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	155.2	161.5	-72.3	165.4	-165.8	0	0	109.3	N899 P1005	E894-N899 WeakPolarHBondContact CA-O 3.46Å; E894-P1005 WeakPolarHBondContact O-CG 3.41Å
895	T	97.9	Very high	97.5	Very high	15 Å²	15	28 Å²	28	9%	0.092	15%	0.154	C	C	.	.			trans	-92	178.5	176.8	51.8	0	0	0	0	110.9	S897 G898 N899 P975 D976 T1006	T895-S897 VanDerWaalsContact C-N 3.26Å; T895-S897 PolarHBondContact O-N 2.89Å; T895-G898 PolarHBondContact O-N 2.98Å; T895-N899 WeakPolarHBondContact CB-O 3.44Å; T895-N899 WeakPolarHBondContact CG2-O 3.46Å; T895-N899 PolarHBondContact N-O 2.87Å; T895-N899 WeakPolarHBondContact OG1-CA 3.38Å; T895-N899 WeakPolarHBondContact OG1-CB 3.46Å; T895-N899 PolarHBondContact OG1-N 2.86Å; T895-N899 PolarHBondContact OG1-O 3.25Å; T895-P975 HydrophobicContact CG2-CB 4.26Å; T895-P975 HydrophobicContact CG2-CG 3.99Å; T895-D976 WeakPolarHBondContact CB-OD1 3.37Å; T895-D976 VanDerWaalsContact CB-OD2 3.3Å; T895-D976 WeakPolarHBondContact CB-OD2 3.48Å; T895-D976 PolarHBondContact OG1-OD1 2.95Å; T895-D976 PolarHBondContact OG1-OD2 3.17Å; T895-T1006 HydrophobicContact CG2-CG2 3.81Å
896	L	96.8	Very high	97.7	Very high	29 Å²	29	28.1 Å²	28.1	15%	0.152	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.3	179.8	-82.1	169.4	0	0	0	113	F344 L346 P347 D976 L987 E1002	F344-L896 HydrophobicContact CE1-CB 3.9Å; F344-L896 HydrophobicContact CE1-CD2 4.28Å; F344-L896 HydrophobicContact CE1-CG 4.49Å; F344-L896 HydrophobicContact CZ-CB 4.09Å; F344-L896 WeakPolarHBondContact CZ-O 3.36Å; L346-L896 HydrophobicContact CD2-CD1 4.27Å; P347-L896 HydrophobicContact CG-CD2 4.17Å; L896-D976 PolarHBondContact N-OD2 3Å; L896-L987 HydrophobicContact CB-CB 4.25Å; L896-L987 HydrophobicContact CB-CD1 4.28Å; L896-L987 HydrophobicContact CD1-CB 3.91Å; L896-E1002 WeakPolarHBondContact CD2-O 3.49Å
897	S	95.8	Very high	97.8	Very high	23 Å²	23	27.8 Å²	27.8	16%	0.161	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6	175.3	70.9	0	0	0	0	114.9	Q653 T895 N899 D976	Q653-S897 WeakPolarHBondContact CB-O 3.4Å; Q653-S897 WeakPolarHBondContact CG-O 3.42Å; T895-S897 VanDerWaalsContact C-N 3.26Å; T895-S897 PolarHBondContact O-N 2.89Å; S897-N899 PolarHBondContact OG-ND2 2.99Å; S897-N899 VanDerWaalsContact OG-ND2 3.07Å; S897-D976 PolarHBondContact N-OD2 3.39Å; S897-D976 PolarHBondContact OG-OD1 2.85Å; S897-D976 PolarHBondContact OG-OD2 3.39Å; S897-D976 VanDerWaalsContact OG-OD2 3.06Å
898	G	96.7	Very high	97.8	Very high	36 Å²	36	27 Å²	27	37%	0.371	15%	0.15	S	C	.	.	S	Bend	trans	84.6	8.1	178.4	0	0	0	0	0	115.6	T895	T895-G898 PolarHBondContact O-N 2.98Å
899	N	98.3	Very high	97.7	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	14%	0.143	C	C	.	.			trans	-67.6	142.9	167.4	-68.1	-62.2	0	0	0	110.6	Q653 Y867 E894 T895 S897 P975 D976	Q653-N899 PolarHBondContact N-OD1 3.2Å; Q653-N899 PolarHBondContact O-ND2 2.86Å; Y867-N899 HydrophobicContact CE1-CB 3.89Å; E894-N899 WeakPolarHBondContact CA-O 3.46Å; T895-N899 WeakPolarHBondContact CB-O 3.44Å; T895-N899 WeakPolarHBondContact CG2-O 3.46Å; T895-N899 PolarHBondContact N-O 2.87Å; T895-N899 WeakPolarHBondContact OG1-CA 3.38Å; T895-N899 WeakPolarHBondContact OG1-CB 3.46Å; T895-N899 PolarHBondContact OG1-N 2.86Å; T895-N899 PolarHBondContact OG1-O 3.25Å; S897-N899 PolarHBondContact OG-ND2 2.99Å; S897-N899 VanDerWaalsContact OG-ND2 3.07Å; N899-P975 HydrophobicContact CB-CB 4.15Å; N899-D976 PolarHBondContact ND2-OD1 3.48Å
900	T	98.4	Very high	97.5	Very high	49 Å²	49	20.8 Å²	20.8	30%	0.301	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.8	177.5	65.2	0	0	0	0	111.9	Y867 V891 P902	Y867-T900 WeakPolarHBondContact CE2-O 3.14Å; Y867-T900 PolarHBondContact OH-N 2.71Å; Y867-T900 VanDerWaalsContact OH-N 3.12Å; Y867-T900 PolarHBondContact OH-O 3.42Å; Y867-T900 PolarHBondContact OH-OG1 2.6Å; V891-T900 HydrophobicContact CG1-CG2 3.99Å; V891-T900 HydrophobicContact CG2-CG2 3.98Å; T900-P902 WeakPolarHBondContact O-CD 3.41Å
901	C	98.6	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108.2	169.3	-173.8	0	0	0	0	109.6	L892 C893 T1006	L892-C901 HydrophobicContact CB-CB 4.38Å; L892-C901 WeakPolarHBondContact CB-O 3.41Å; L892-C901 PolarHBondContact N-O 3.14Å; C893-C901 PolarHBondContact O-N 2.86Å; C901-T1006 HydrophobicContact CB-CG2 3.92Å
902	P	98.4	Very high	96.5	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.039	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	145.5	-175	-15.5	32	0	0	0	112.2	L874 T900 P971	L874-P902 HydrophobicContact CD1-CB 3.98Å; L874-P902 HydrophobicContact CD1-CG 4.25Å; T900-P902 WeakPolarHBondContact O-CD 3.41Å; P902-P971 HydrophobicContact CB-CG 4.46Å; P902-P971 WeakPolarHBondContact O-CD 3.2Å
903	L	98.8	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.2	178.8	176.8	74.9	0	0	0	110.2	F425 D890 L892 K968 I969 V970 L1013	F425-L903 HydrophobicContact CB-CD2 4.05Å; F425-L903 HydrophobicContact CD1-CD2 3.75Å; F425-L903 HydrophobicContact CE1-CD2 4.33Å; F425-L903 HydrophobicContact CG-CD2 3.96Å; D890-L903 HydrophobicContact CB-CB 4.07Å; D890-L903 HydrophobicContact CB-CD2 4.1Å; D890-L903 HydrophobicContact CB-CG 4.43Å; D890-L903 PolarHBondContact N-O 2.8Å; D890-L903 PolarHBondContact O-N 3.46Å; L892-L903 HydrophobicContact CB-CB 4.07Å; L892-L903 HydrophobicContact CB-CD2 4.5Å; L892-L903 HydrophobicContact CD1-CD2 4.28Å; L903-K968 HydrophobicContact CD1-CD 4.42Å; L903-K968 HydrophobicContact CD1-CG 4.14Å; L903-K968 VanDerWaalsContact CD2-CE 3.43Å; L903-K968 VanDerWaalsContact CG-CE 3.49Å; L903-I969 WeakPolarHBondContact CA-O 3.47Å; L903-V970 HydrophobicContact CD1-CG2 3.6Å; L903-L1013 HydrophobicContact CD1-CD1 3.58Å; L903-L1013 HydrophobicContact CD2-CD1 3.76Å; L903-L1013 HydrophobicContact CD2-CD2 4.27Å; L903-L1013 HydrophobicContact CG-CD1 4.34Å
904	L	98.7	Very high	95.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.3	-175.7	-49	173.6	0	0	0	110.8	L874 R888 Q889 I906 L948 K968 I969 P971	L874-L904 HydrophobicContact CD1-CD2 4.48Å; L874-L904 HydrophobicContact CD2-CD1 3.69Å; L874-L904 HydrophobicContact CD2-CD2 4.3Å; R888-L904 CarbonylContact O-C 3.56Å; R888-L904 WeakPolarHBondContact O-CA 3.47Å; Q889-L904 HydrophobicContact CB-CD2 3.99Å; Q889-L904 HydrophobicContact CG-CD2 3.89Å; L904-I906 HydrophobicContact CB-CG1 4.3Å; L904-L948 HydrophobicContact CD1-CD1 4.4Å; L904-L948 HydrophobicContact CD1-CD2 3.61Å; L904-K968 CarbonylContact O-C 3.55Å; L904-K968 VanDerWaalsContact O-CA 3.31Å; L904-K968 WeakPolarHBondContact O-CA 3.44Å; L904-I969 HydrophobicContact CB-CB 4.29Å; L904-I969 PolarHBondContact N-O 2.84Å; L904-I969 PolarHBondContact O-N 2.82Å; L904-P971 HydrophobicContact CD1-CG 4.36Å
905	T	98.6	Very high	95.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.7	156.9	-61.1	0	0	0	0	108.5	E428 Y886 L887 R888 I966 F967 K968	E428-T905 HydrophobicContact CB-CG2 4.45Å; E428-T905 HydrophobicContact CG-CG2 4.17Å; E428-T905 PolarHBondContact OE2-OG1 3.37Å; Y886-T905 HydrophobicContact CD1-CG2 4.04Å; Y886-T905 HydrophobicContact CE1-CG2 3.81Å; L887-T905 CarbonylContact C-O 3.58Å; L887-T905 WeakPolarHBondContact CA-O 3.3Å; R888-T905 PolarHBondContact N-O 3.33Å; R888-T905 PolarHBondContact O-N 3.01Å; T905-I966 HydrophobicContact CG2-CG2 3.66Å; T905-F967 CarbonylContact C-O 3.34Å; T905-F967 VanDerWaalsContact CA-O 3.32Å; T905-F967 WeakPolarHBondContact CA-O 3.38Å; T905-K968 WeakPolarHBondContact OG1-CD 3.33Å; T905-K968 PolarHBondContact OG1-NZ 2.91Å
906	I	98.4	Very high	94.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.1	175.6	-48.5	-179.4	0	0	0	110.7	I885 Y886 L887 L904 L948 L951 M952 F967 I969	I885-I906 HydrophobicContact CG2-CG2 4.43Å; Y886-I906 WeakPolarHBondContact O-CA 3.44Å; L887-I906 HydrophobicContact CD1-CD1 4.22Å; L887-I906 HydrophobicContact CD1-CG1 3.78Å; L904-I906 HydrophobicContact CB-CG1 4.3Å; I906-L948 HydrophobicContact CD1-CD2 3.97Å; I906-L951 HydrophobicContact CD1-CB 4.38Å; I906-L951 HydrophobicContact CG2-CB 4.33Å; I906-M952 HydrophobicContact CD1-SD 4.24Å; I906-M952 HydrophobicContact CG2-SD 4.11Å; I906-F967 HydrophobicContact CB-CB 4.35Å; I906-F967 PolarHBondContact N-O 3.16Å; I906-F967 PolarHBondContact O-N 2.94Å; I906-I969 HydrophobicContact CD1-CD1 4.24Å
907	T	97.8	Very high	94.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	178.4	173.8	-166.2	0	0	0	0	110.9	Y886 F921 R924 R962 Y965 I966	Y886-T907 HydrophobicContact CD1-CG2 3.95Å; Y886-T907 HydrophobicContact CG-CG2 4.08Å; Y886-T907 PolarHBondContact N-O 2.76Å; Y886-T907 PolarHBondContact O-N 2.88Å; T907-F921 HydrophobicContact CG2-CD2 4.33Å; T907-F921 HydrophobicContact CG2-CE2 3.45Å; T907-F921 VanDerWaalsContact CG2-CE2 3.45Å; T907-F921 HydrophobicContact CG2-CZ 3.66Å; T907-R924 PolarHBondContact OG1-NH1 2.91Å; T907-R962 PolarHBondContact OG1-O 3.44Å; T907-Y965 WeakPolarHBondContact CB-O 3.23Å; T907-Y965 PolarHBondContact OG1-O 3.2Å; T907-I966 HydrophobicContact CG2-CG1 4.23Å
908	A	96.4	Very high	94.1	Very high	8 Å²	8	34.3 Å²	34.3	7%	0.066	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	144.3	173.6	0	0	0	0	0	109.9	Q884 F921 R924 R962 E963	Q884-A908 WeakPolarHBondContact O-CA 3.25Å; A908-F921 WeakPolarHBondContact O-CD2 3.46Å; A908-F921 WeakPolarHBondContact O-CE2 3.23Å; A908-R924 PolarHBondContact O-NH1 3.48Å; A908-R962 HydrophobicContact CB-CB 3.84Å; A908-R962 PolarHBondContact N-O 3.24Å; A908-E963 HydrophobicContact CB-CG 3.92Å
909	M	94.8	Very high	93.8	Very high	15 Å²	15	35.2 Å²	35.2	7%	0.074	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-56.6	153.7	167.7	-73.9	-64.6	-73.7	0	0	111	F433 Y436 P883 Q884 Y886	F433-M909 HydrophobicContact CD1-CE 3.85Å; F433-M909 HydrophobicContact CE1-CE 4.25Å; F433-M909 HydrophobicContact CE1-SD 4.4Å; Y436-M909 HydrophobicContact CD1-CE 3.37Å; Y436-M909 HydrophobicContact CD1-SD 4.47Å; Y436-M909 HydrophobicContact CD2-CE 4.28Å; Y436-M909 HydrophobicContact CE1-CE 3.76Å; Y436-M909 HydrophobicContact CE1-SD 4.35Å; Y436-M909 HydrophobicContact CG-CE 3.66Å; P883-M909 WeakPolarHBondContact O-CG 3.39Å; Q884-M909 PolarHBondContact O-N 3.38Å; Y886-M909 HydrophobicContact CD2-SD 3.83Å; Y886-M909 HydrophobicContact CG-SD 4.39Å
910	P	92.8	Very high	93.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.013	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-62.1	147.3	168	21.9	-25.6	0	0	0	110.2	F433 F438 S912 H917 F921	F433-P910 HydrophobicContact CD1-CG 4.15Å; F433-P910 HydrophobicContact CD2-CG 3.9Å; F433-P910 HydrophobicContact CE1-CG 4.28Å; F433-P910 HydrophobicContact CE2-CG 4.05Å; F433-P910 HydrophobicContact CG-CG 3.96Å; F433-P910 HydrophobicContact CZ-CG 4.25Å; F438-P910 HydrophobicContact CE1-CB 4.36Å; F438-P910 HydrophobicContact CE1-CG 3.92Å; F438-P910 WeakPolarHBondContact CE1-O 3.42Å; F438-P910 HydrophobicContact CZ-CG 4.04Å; P910-S912 VanDerWaalsContact C-N 3.26Å; P910-S912 PolarHBondContact O-N 3.39Å; P910-H917 HydrophobicContact CB-CB 4.5Å; P910-F921 HydrophobicContact CB-CB 4.13Å; P910-F921 HydrophobicContact CB-CD2 4.33Å; P910-F921 HydrophobicContact CB-CG 4.46Å; P910-F921 HydrophobicContact CG-CD2 4.26Å
911	E	87.6	Confident	93	Very high	127 Å²	127	38.5 Å²	38.5	59%	0.593	21%	0.206	S	C	*	.	S	Bend	trans	-67.5	-24.7	-178.8	-88.2	-172.6	-119.7	0	0	113.4	H917	E911-H917 WeakPolarHBondContact CB-ND1 3.47Å
912	S	88.4	Confident	92.8	Very high	35 Å²	35	41.8 Å²	41.8	25%	0.245	22%	0.218	C	C	.	.	S	Bend	trans	-158.3	171.9	177.1	84.3	0	0	0	0	110.9	F438 P910 S914 H917	F438-S912 VanDerWaalsContact CD1-CA 3.42Å; P910-S912 VanDerWaalsContact C-N 3.26Å; P910-S912 PolarHBondContact O-N 3.39Å; S912-S914 PolarHBondContact O-N 3.46Å; S912-S914 VanDerWaalsContact OG-CB 3.3Å; S912-S914 WeakPolarHBondContact OG-CB 3.22Å; S912-S914 PolarHBondContact OG-N 3.38Å; S912-S914 PolarHBondContact OG-OG 2.78Å; S912-S914 VanDerWaalsContact OG-OG 3.11Å; S912-H917 WeakPolarHBondContact CB-ND1 2.9Å; S912-H917 PolarHBondContact N-ND1 3.27Å; S912-H917 VanDerWaalsContact N-ND1 3.19Å; S912-H917 PolarHBondContact OG-ND1 3.18Å
913	K	86.6	Confident	92.5	Very high	103 Å²	103	47 Å²	47	45%	0.448	25%	0.246	S	C	.	.	S	Bend	trans	-76.5	11	170.4	-60.5	-173.4	-177.6	179	0	113.9	F433 Q434 Y436 F438	F433-K913 WeakPolarHBondContact O-CE 3.39Å; Q434-K913 PolarHBondContact O-NZ 3.19Å; Y436-K913 WeakPolarHBondContact O-CE 3.3Å; Y436-K913 PolarHBondContact O-NZ 3.04Å; F438-K913 HydrophobicContact CD2-CD 4.23Å; F438-K913 HydrophobicContact CD2-CG 3.78Å; F438-K913 HydrophobicContact CE1-CG 4.34Å; F438-K913 HydrophobicContact CE2-CD 4.01Å; F438-K913 HydrophobicContact CE2-CG 3.43Å; F438-K913 VanDerWaalsContact CE2-CG 3.43Å; F438-K913 HydrophobicContact CG-CG 4.39Å; F438-K913 HydrophobicContact CZ-CG 3.74Å
914	S	89.4	Confident	92.3	Very high	39 Å²	39	48.3 Å²	48.3	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	-68.4	146.1	175.6	76.5	0	0	0	0	111.1	S912 D916 H917 I918	S912-S914 PolarHBondContact O-N 3.46Å; S912-S914 VanDerWaalsContact OG-CB 3.3Å; S912-S914 WeakPolarHBondContact OG-CB 3.22Å; S912-S914 PolarHBondContact OG-N 3.38Å; S912-S914 PolarHBondContact OG-OG 2.78Å; S912-S914 VanDerWaalsContact OG-OG 3.11Å; S914-D916 PolarHBondContact O-N 3.29Å; S914-H917 PolarHBondContact O-N 3.05Å; S914-H917 VanDerWaalsContact O-N 3.09Å; S914-H917 WeakPolarHBondContact OG-CB 3.29Å; S914-H917 PolarHBondContact OG-CD2 2.87Å; S914-H917 PolarHBondContact OG-N 2.93Å; S914-I918 WeakPolarHBondContact O-CG1 3.18Å; S914-I918 PolarHBondContact O-N 3.32Å
915	T	87.4	Confident	92.2	Very high	107 Å²	107	51 Å²	51	66%	0.656	27%	0.268	S	S	*	.	H	α-helix	trans	-53.8	-39.8	176.9	-45.9	0	0	0	0	111.4	I918 C919	T915-I918 PolarHBondContact O-N 3.44Å; T915-C919 VanDerWaalsContact O-CB 3.23Å; T915-C919 WeakPolarHBondContact O-CB 3.33Å; T915-C919 PolarHBondContact O-N 3.48Å; T915-C919 PolarHBondContact O-SG 2.86Å
916	D	89.5	Confident	92.2	Very high	113 Å²	113	51.1 Å²	51.1	60%	0.604	27%	0.269	S	S	*	.	H	α-helix	trans	-65	-41.4	179.2	-59.5	-42.4	0	0	0	112.4	S914 C919 Q920	S914-D916 PolarHBondContact O-N 3.29Å; D916-C919 PolarHBondContact O-N 2.88Å; D916-Q920 WeakPolarHBondContact O-CB 3.28Å; D916-Q920 VanDerWaalsContact O-CG 3.23Å; D916-Q920 WeakPolarHBondContact O-CG 3.4Å; D916-Q920 PolarHBondContact O-N 2.95Å
917	H	90.4	Very high	92.2	Very high	53 Å²	53	51 Å²	51	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-73	-36.9	-178.7	-67.7	-162.1	0	0	0	111.2	P910 E911 S912 S914 Q920 F921	P910-H917 HydrophobicContact CB-CB 4.5Å; E911-H917 WeakPolarHBondContact CB-ND1 3.47Å; S912-H917 WeakPolarHBondContact CB-ND1 2.9Å; S912-H917 PolarHBondContact N-ND1 3.27Å; S912-H917 VanDerWaalsContact N-ND1 3.19Å; S912-H917 PolarHBondContact OG-ND1 3.18Å; S914-H917 PolarHBondContact O-N 3.05Å; S914-H917 VanDerWaalsContact O-N 3.09Å; S914-H917 WeakPolarHBondContact OG-CB 3.29Å; S914-H917 PolarHBondContact OG-CD2 2.87Å; S914-H917 PolarHBondContact OG-N 2.93Å; H917-Q920 PolarHBondContact O-N 2.98Å; H917-F921 WeakPolarHBondContact O-CB 3.49Å; H917-F921 PolarHBondContact O-N 3.05Å
918	I	90.4	Very high	92.2	Very high	22 Å²	22	51 Å²	51	11%	0.113	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-41.8	173	-64.4	172.9	0	0	0	110.5	F433 S914 T915 F921 R922	F433-I918 HydrophobicContact CD2-CD1 4.42Å; F433-I918 HydrophobicContact CD2-CG1 4.2Å; S914-I918 WeakPolarHBondContact O-CG1 3.18Å; S914-I918 PolarHBondContact O-N 3.32Å; T915-I918 PolarHBondContact O-N 3.44Å; I918-F921 PolarHBondContact O-N 2.82Å; I918-R922 HydrophobicContact CG2-CG 4.41Å; I918-R922 WeakPolarHBondContact O-CB 3.49Å; I918-R922 VanDerWaalsContact O-CG 3.28Å; I918-R922 WeakPolarHBondContact O-CG 3.39Å; I918-R922 PolarHBondContact O-N 3.03Å
919	C	89.2	Confident	92.4	Very high	55 Å²	55	50.7 Å²	50.7	37%	0.372	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-41.1	173.8	-77.6	0	0	0	0	112.4	T915 D916 R922 N923	T915-C919 VanDerWaalsContact O-CB 3.23Å; T915-C919 WeakPolarHBondContact O-CB 3.33Å; T915-C919 PolarHBondContact O-N 3.48Å; T915-C919 PolarHBondContact O-SG 2.86Å; D916-C919 PolarHBondContact O-N 2.88Å; C919-R922 PolarHBondContact O-N 2.97Å; C919-N923 VanDerWaalsContact O-CB 3.23Å; C919-N923 WeakPolarHBondContact O-CB 3.39Å; C919-N923 PolarHBondContact O-N 3.01Å; C919-N923 PolarHBondContact O-ND2 3.01Å; C919-N923 VanDerWaalsContact O-ND2 3.1Å
920	Q	88.9	Confident	92.6	Very high	120 Å²	120	50 Å²	50	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-62.3	-46.2	174.7	-76.2	174	39.3	0	0	111.8	D916 H917 N923 R924	D916-Q920 WeakPolarHBondContact O-CB 3.28Å; D916-Q920 VanDerWaalsContact O-CG 3.23Å; D916-Q920 WeakPolarHBondContact O-CG 3.4Å; D916-Q920 PolarHBondContact O-N 2.95Å; H917-Q920 PolarHBondContact O-N 2.98Å; Q920-N923 PolarHBondContact O-N 2.79Å; Q920-R924 PolarHBondContact O-N 3Å
921	F	92.8	Very high	92.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.4	-54.8	173.3	174.2	-81.6	0	0	0	111.1	E428 F433 Y886 T907 A908 P910 H917 I918 N923 R924	E428-F921 HydrophobicContact CB-CE1 3.8Å; E428-F921 HydrophobicContact CB-CZ 4.12Å; E428-F921 VanDerWaalsContact O-CE1 3.31Å; E428-F921 WeakPolarHBondContact O-CE1 3.48Å; F433-F921 HydrophobicContact CE1-CZ 4.22Å; F433-F921 HydrophobicContact CE2-CD1 4.14Å; F433-F921 HydrophobicContact CE2-CE1 4.07Å; F433-F921 AromaticContact CZ-CD1 3.98Å; F433-F921 HydrophobicContact CZ-CD1 3.98Å; F433-F921 AromaticContact CZ-CE1 3.49Å; F433-F921 HydrophobicContact CZ-CE1 3.49Å; F433-F921 VanDerWaalsContact CZ-CE1 3.49Å; F433-F921 HydrophobicContact CZ-CE2 4.13Å; F433-F921 AromaticContact CZ-CZ 3.58Å; F433-F921 HydrophobicContact CZ-CZ 3.58Å; Y886-F921 HydrophobicContact CD1-CZ 4.39Å; Y886-F921 HydrophobicContact CD2-CE2 4.46Å; Y886-F921 HydrophobicContact CD2-CZ 4.05Å; Y886-F921 HydrophobicContact CE2-CZ 4.36Å; Y886-F921 HydrophobicContact CG-CE2 4.34Å; Y886-F921 HydrophobicContact CG-CZ 4.05Å; T907-F921 HydrophobicContact CG2-CD2 4.33Å; T907-F921 HydrophobicContact CG2-CE2 3.45Å; T907-F921 VanDerWaalsContact CG2-CE2 3.45Å; T907-F921 HydrophobicContact CG2-CZ 3.66Å; A908-F921 WeakPolarHBondContact O-CD2 3.46Å; A908-F921 WeakPolarHBondContact O-CE2 3.23Å; P910-F921 HydrophobicContact CB-CB 4.13Å; P910-F921 HydrophobicContact CB-CD2 4.33Å; P910-F921 HydrophobicContact CB-CG 4.46Å; P910-F921 HydrophobicContact CG-CD2 4.26Å; H917-F921 WeakPolarHBondContact O-CB 3.49Å; H917-F921 PolarHBondContact O-N 3.05Å; I918-F921 PolarHBondContact O-N 2.82Å; F921-N923 PolarHBondContact O-N 3.02Å; F921-R924 VanDerWaalsContact CD2-NH1 3.31Å; F921-R924 WeakPolarHBondContact O-CG 3.33Å; F921-R924 PolarHBondContact O-N 3.04Å
922	R	93.2	Very high	93.4	Very high	69 Å²	69	44 Å²	44	26%	0.26	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-26.1	-178.1	-72.6	177.5	-175.9	-168.5	5.2	113.3	E428 L429 S430 E431 I918 C919 R1022	E428-R922 WeakPolarHBondContact O-CG 3.41Å; L429-R922 WeakPolarHBondContact O-CD 3.25Å; L429-R922 PolarHBondContact O-NE 3.48Å; S430-R922 VanDerWaalsContact C-NH2 3.27Å; S430-R922 PolarHBondContact O-NH2 3.1Å; E431-R922 PolarHBondContact O-NH2 2.84Å; I918-R922 HydrophobicContact CG2-CG 4.41Å; I918-R922 WeakPolarHBondContact O-CB 3.49Å; I918-R922 VanDerWaalsContact O-CG 3.28Å; I918-R922 WeakPolarHBondContact O-CG 3.39Å; I918-R922 PolarHBondContact O-N 3.03Å; C919-R922 PolarHBondContact O-N 2.97Å; R922-R1022 PolarHBondContact O-NH1 3.15Å; R922-R1022 PolarHBondContact O-NH2 3.24Å
923	N	92.4	Very high	93.8	Very high	116 Å²	116	42.3 Å²	42.3	62%	0.62	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	2.9	-178.2	-72	-28.5	0	0	0	114.8	C919 Q920 F921	C919-N923 VanDerWaalsContact O-CB 3.23Å; C919-N923 WeakPolarHBondContact O-CB 3.39Å; C919-N923 PolarHBondContact O-N 3.01Å; C919-N923 PolarHBondContact O-ND2 3.01Å; C919-N923 VanDerWaalsContact O-ND2 3.1Å; Q920-N923 PolarHBondContact O-N 2.79Å; F921-N923 PolarHBondContact O-N 3.02Å
924	R	95.3	Very high	94.4	Very high	27 Å²	27	37.5 Å²	37.5	10%	0.102	20%	0.201	C	C	.	.	S	Bend	trans	-60.1	138.2	173.3	-71.9	178.3	-173.2	143.9	6	111.4	T907 A908 Q920 F921 E963 I966 R1022	T907-R924 PolarHBondContact OG1-NH1 2.91Å; A908-R924 PolarHBondContact O-NH1 3.48Å; Q920-R924 PolarHBondContact O-N 3Å; F921-R924 VanDerWaalsContact CD2-NH1 3.31Å; F921-R924 WeakPolarHBondContact O-CG 3.33Å; F921-R924 PolarHBondContact O-N 3.04Å; R924-E963 PolarHBondContact NE-O 2.98Å; R924-I966 HydrophobicContact CB-CD1 4.06Å; R924-I966 HydrophobicContact CB-CG1 3.94Å; R924-R1022 PolarHBondContact O-NH2 3.17Å
925	P	96.2	Very high	94.8	Very high	59 Å²	59	35.7 Å²	35.7	38%	0.383	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-65.5	147	173.7	-19.2	31.6	0	0	0	111.9	A964 Y965 I966 L1025	P925-A964 WeakPolarHBondContact CD-O 3.48Å; P925-Y965 HydrophobicContact CB-CD1 3.98Å; P925-Y965 HydrophobicContact CB-CE1 4.18Å; P925-Y965 HydrophobicContact CG-CD1 4.2Å; P925-Y965 HydrophobicContact CG-CE1 4.2Å; P925-Y965 WeakPolarHBondContact O-CA 3.36Å; P925-I966 PolarHBondContact O-N 2.81Å; P925-L1025 HydrophobicContact CB-CB 4.24Å; P925-L1025 HydrophobicContact CB-CD2 4.42Å
926	F	98.1	Very high	95.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.9	173.3	-78	-82.8	0	0	0	111.6	F426 E428 L429 I966 K968 L1017 R1022 P1024 L1025	F426-F926 HydrophobicContact CD1-CE1 4.13Å; F426-F926 AromaticContact CD1-CZ 3.98Å; F426-F926 HydrophobicContact CD1-CZ 3.98Å; F426-F926 HydrophobicContact CE1-CE1 4.3Å; F426-F926 HydrophobicContact CE1-CZ 4.43Å; E428-F926 HydrophobicContact CG-CZ 4.36Å; E428-F926 WeakPolarHBondContact OE1-CE1 3.39Å; L429-F926 HydrophobicContact CD1-CE2 4.36Å; L429-F926 HydrophobicContact CD1-CZ 4.34Å; L429-F926 HydrophobicContact CD2-CE2 4.13Å; L429-F926 HydrophobicContact CD2-CZ 4.08Å; L429-F926 HydrophobicContact CG-CZ 4.36Å; F926-I966 CarbonylContact C-O 3.55Å; F926-I966 VanDerWaalsContact CA-O 3.31Å; F926-I966 WeakPolarHBondContact CA-O 3.36Å; F926-I966 HydrophobicContact CD1-CB 3.86Å; F926-I966 HydrophobicContact CD1-CG2 3.74Å; F926-I966 HydrophobicContact CE1-CB 3.88Å; F926-I966 HydrophobicContact CE1-CD1 4.28Å; F926-I966 HydrophobicContact CE1-CG2 3.43Å; F926-I966 VanDerWaalsContact CE1-CG2 3.43Å; F926-I966 HydrophobicContact CZ-CD1 4.12Å; F926-I966 HydrophobicContact CZ-CG2 4.31Å; F926-K968 HydrophobicContact CD1-CB 4.46Å; F926-L1017 HydrophobicContact CD2-CD2 3.74Å; F926-L1017 HydrophobicContact CE1-CD2 4.48Å; F926-L1017 HydrophobicContact CE2-CD2 3.61Å; F926-L1017 HydrophobicContact CG-CD1 4.4Å; F926-L1017 HydrophobicContact CG-CD2 4.26Å; F926-L1017 HydrophobicContact CZ-CD2 4.01Å; F926-R1022 HydrophobicContact CD2-CB 4.15Å; F926-R1022 HydrophobicContact CE2-CB 4.15Å; F926-P1024 HydrophobicContact CB-CB 4.46Å; F926-P1024 HydrophobicContact CB-CG 4.48Å; F926-P1024 CarbonylContact O-C 3.42Å; F926-P1024 WeakPolarHBondContact O-CA 3.12Å; F926-L1025 PolarHBondContact O-N 3.07Å
927	I	98.6	Very high	95.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128	158.6	-50.6	-47.3	0	0	0	106.4	L929 Y965 I966 F967 K968 L1025 V1026 M1148	I927-L929 HydrophobicContact CG2-CD2 4Å; I927-L929 HydrophobicContact CG2-CG 4.14Å; I927-Y965 HydrophobicContact CD1-CD1 3.82Å; I927-Y965 HydrophobicContact CD1-CD2 4.3Å; I927-Y965 HydrophobicContact CD1-CE1 4.06Å; I927-Y965 HydrophobicContact CD1-CG 3.96Å; I927-Y965 HydrophobicContact CG1-CD1 4.14Å; I927-Y965 HydrophobicContact CG1-CD2 4.09Å; I927-Y965 HydrophobicContact CG1-CG 3.78Å; I927-I966 PolarHBondContact N-O 3.24Å; I927-F967 HydrophobicContact CB-CD1 3.79Å; I927-F967 HydrophobicContact CB-CE1 3.83Å; I927-F967 HydrophobicContact CB-CG 4.46Å; I927-F967 HydrophobicContact CG1-CD1 4.26Å; I927-F967 HydrophobicContact CG1-CE1 3.87Å; I927-F967 HydrophobicContact CG1-CZ 4.1Å; I927-F967 HydrophobicContact CG2-CD1 4.03Å; I927-F967 HydrophobicContact CG2-CE1 3.92Å; I927-F967 WeakPolarHBondContact O-CA 3.46Å; I927-K968 PolarHBondContact O-N 3.49Å; I927-L1025 HydrophobicContact CD1-CB 4.03Å; I927-L1025 HydrophobicContact CD1-CD2 4.39Å; I927-V1026 HydrophobicContact CD1-CB 4.45Å; I927-V1026 HydrophobicContact CG2-CB 4.34Å; I927-M1148 HydrophobicContact CD1-CE 3.22Å; I927-M1148 HydrophobicContact CG1-CE 3.68Å; I927-M1148 HydrophobicContact CG2-CE 4.02Å
928	F	98.8	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.7	176.3	-158.3	-72.3	0	0	0	109.7	K968 V970 T1010 L1013 L1014 L1017 P1024 V1026 F1027 C1028	F928-K968 CarbonylContact C-O 3.55Å; F928-K968 VanDerWaalsContact CA-O 3.32Å; F928-K968 WeakPolarHBondContact CA-O 3.44Å; F928-K968 HydrophobicContact CD2-CB 3.86Å; F928-K968 HydrophobicContact CD2-CG 4.08Å; F928-K968 HydrophobicContact CE2-CB 4.13Å; F928-K968 HydrophobicContact CE2-CG 3.84Å; F928-V970 HydrophobicContact CE1-CG2 4.38Å; F928-V970 HydrophobicContact CZ-CG2 4.25Å; F928-T1010 HydrophobicContact CE1-CG2 3.81Å; F928-T1010 HydrophobicContact CZ-CG2 3.88Å; F928-L1013 HydrophobicContact CE2-CB 4.17Å; F928-L1013 HydrophobicContact CE2-CD1 4.14Å; F928-L1013 HydrophobicContact CZ-CD1 4.09Å; F928-L1014 HydrophobicContact CB-CD2 4.06Å; F928-L1014 HydrophobicContact CD1-CD2 4.26Å; F928-L1014 HydrophobicContact CD2-CD2 3.59Å; F928-L1014 HydrophobicContact CD2-CG 4.22Å; F928-L1014 HydrophobicContact CE2-CD2 4.08Å; F928-L1014 HydrophobicContact CE2-CG 4.19Å; F928-L1014 HydrophobicContact CG-CD2 3.7Å; F928-L1014 HydrophobicContact CG-CG 4.46Å; F928-L1014 HydrophobicContact CZ-CG 4.43Å; F928-L1017 HydrophobicContact CD2-CD1 4.43Å; F928-P1024 HydrophobicContact CB-CB 4.04Å; F928-P1024 HydrophobicContact CB-CG 3.69Å; F928-V1026 PolarHBondContact N-O 3.49Å; F928-F1027 HydrophobicContact CB-CD2 4.17Å; F928-F1027 AromaticContact CD1-CD2 3.8Å; F928-F1027 HydrophobicContact CD1-CD2 3.8Å; F928-F1027 AromaticContact CD1-CE2 3.84Å; F928-F1027 HydrophobicContact CD1-CE2 3.84Å; F928-F1027 HydrophobicContact CE1-CE2 4.36Å; F928-F1027 HydrophobicContact CG-CD2 4.3Å; F928-F1027 VanDerWaalsContact O-CA 3.32Å; F928-F1027 WeakPolarHBondContact O-CA 3.18Å; F928-C1028 PolarHBondContact O-N 3.38Å; F928-C1028 VanDerWaalsContact O-N 3.1Å
929	L	98.9	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.1	-179.6	-56	175.1	0	0	0	110.7	I927 M944 T947 F967 K968 I969 V970 C1028 F1144	I927-L929 HydrophobicContact CG2-CD2 4Å; I927-L929 HydrophobicContact CG2-CG 4.14Å; L929-M944 HydrophobicContact CB-CE 4.22Å; L929-T947 HydrophobicContact CD1-CG2 3.84Å; L929-F967 HydrophobicContact CD1-CD1 4.17Å; L929-K968 PolarHBondContact N-O 3.42Å; L929-I969 HydrophobicContact CB-CG1 4.27Å; L929-I969 HydrophobicContact CB-CG2 4.28Å; L929-I969 HydrophobicContact CD1-CD1 4.3Å; L929-I969 HydrophobicContact CD1-CG1 4.38Å; L929-I969 WeakPolarHBondContact O-CA 3.19Å; L929-V970 PolarHBondContact O-N 3.19Å; L929-C1028 WeakPolarHBondContact CA-O 3.15Å; L929-C1028 HydrophobicContact CD2-CB 3.74Å; L929-F1144 HydrophobicContact CD1-CE1 4.28Å; L929-F1144 HydrophobicContact CD2-CE1 3.65Å; L929-F1144 HydrophobicContact CD2-CZ 3.84Å
930	S	98.8	Very high	96.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	164.6	169.6	52.8	0	0	0	0	110.9	V970 C1028 D1029 Y1030	S930-V970 VanDerWaalsContact CA-O 3.32Å; S930-V970 WeakPolarHBondContact CA-O 3.44Å; S930-C1028 PolarHBondContact N-O 3.36Å; S930-D1029 VanDerWaalsContact C-OD1 3.3Å; S930-D1029 VanDerWaalsContact CB-OD1 3.31Å; S930-D1029 WeakPolarHBondContact CB-OD1 3.41Å; S930-D1029 CarbonylContact O-C 3.57Å; S930-D1029 WeakPolarHBondContact O-CA 3.44Å; S930-D1029 PolarHBondContact OG-OD1 3.01Å; S930-Y1030 PolarHBondContact O-N 2.98Å
931	A	98.8	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.8	176.3	0	0	0	0	0	111.3	V933 M944 V970 M972 L973 Y1030	A931-V933 PolarHBondContact O-N 2.83Å; A931-M944 HydrophobicContact CB-CB 4.15Å; A931-M944 HydrophobicContact CB-CE 3.66Å; A931-M944 HydrophobicContact CB-CG 4.41Å; A931-V970 PolarHBondContact N-O 2.76Å; A931-M972 WeakPolarHBondContact O-CA 3.32Å; A931-L973 PolarHBondContact O-N 3.21Å; A931-Y1030 HydrophobicContact CB-CD2 4.36Å; A931-Y1030 HydrophobicContact CB-CG 4.44Å
932	R	98.4	Very high	97.6	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.011	7%	0.073	C	C	.	.			trans	56.1	50.6	161.9	-160	79.4	173.5	-72.2	-10.1	112.4	Y865 P935 E937 S941 M972 L973 N974 V978 Y1030	Y865-R932 PolarHBondContact O-NH1 3.03Å; Y865-R932 PolarHBondContact O-NH2 3.16Å; R932-P935 PolarHBondContact NE-O 2.84Å; R932-P935 PolarHBondContact NH2-O 2.96Å; R932-E937 WeakPolarHBondContact CD-O 3.36Å; R932-S941 WeakPolarHBondContact CD-OG 3.27Å; R932-S941 PolarHBondContact NH1-OG 3.42Å; R932-M972 HydrophobicContact CB-CG 4.22Å; R932-M972 HydrophobicContact CG-CE 4.42Å; R932-M972 HydrophobicContact CG-CG 4.18Å; R932-L973 PolarHBondContact O-N 3.08Å; R932-N974 PolarHBondContact O-N 3.36Å; R932-V978 HydrophobicContact CG-CG2 3.98Å; R932-Y1030 PolarHBondContact N-O 3.49Å
933	V	98.6	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-76.6	-32.7	168.3	61.2	0	0	0	0	111.2	A931 L973 N974 L992 N993 I1007 H1031	A931-V933 PolarHBondContact O-N 2.83Å; V933-L973 HydrophobicContact CB-CB 3.85Å; V933-L973 HydrophobicContact CB-CD1 3.97Å; V933-L973 HydrophobicContact CG2-CB 4.23Å; V933-L973 HydrophobicContact CG2-CD1 4.39Å; V933-N974 WeakPolarHBondContact O-CB 3.5Å; V933-N974 PolarHBondContact O-ND2 2.85Å; V933-N974 VanDerWaalsContact O-ND2 3.07Å; V933-L992 HydrophobicContact CG2-CB 3.5Å; V933-L992 VanDerWaalsContact CG2-CB 3.5Å; V933-L992 HydrophobicContact CG2-CD1 4.45Å; V933-N993 HydrophobicContact CG1-CB 4.13Å; V933-N993 HydrophobicContact CG2-CB 4.29Å; V933-I1007 HydrophobicContact CG2-CD1 4.17Å; V933-H1031 WeakPolarHBondContact CG1-CE1 3.37Å; V933-H1031 WeakPolarHBondContact CG1-NE2 3.42Å
934	H	98.5	Very high	98.2	Very high	2 Å²	2	6 Å²	6	1%	0.009	3%	0.032	C	C	.	.	S	Bend	trans	-93.5	125.6	165.9	-41.3	126.6	0	0	0	109.7	G936 E937 R984 D991 N993 H1031	H934-G936 PolarHBondContact O-N 3.14Å; H934-E937 HydrophobicContact CB-CG 4.08Å; H934-E937 WeakPolarHBondContact CB-OE1 3.48Å; H934-E937 IonicContact CE1-OE1 3.14Å; H934-E937 IonicContact CG-OE1 2.99Å; H934-E937 IonicContact CG-OE2 2.65Å; H934-E937 IonicContact ND1-OE1 3.9Å; H934-E937 PolarHBondContact ND1-OE1 3.29Å; H934-E937 IonicContact ND1-OE2 2.81Å; H934-E937 PolarHBondContact ND1-OE2 2.99Å; H934-R984 VanDerWaalsContact CD2-CZ 3.47Å; H934-R984 PolarHBondContact CE1-NH1 2.82Å; H934-R984 VanDerWaalsContact CE1-NH1 3.28Å; H934-R984 PolarHBondContact CE1-NH2 3.47Å; H934-R984 VanDerWaalsContact CE1-NH2 3.27Å; H934-R984 PolarHBondContact ND1-NH1 3.38Å; H934-R984 VanDerWaalsContact NE2-CZ 3.26Å; H934-R984 PolarHBondContact NE2-NH2 3.37Å; H934-R984 VanDerWaalsContact NE2-NH2 3.12Å; H934-D991 IonicContact CD2-OD1 3.86Å; H934-D991 IonicContact NE2-OD1 2.69Å; H934-D991 PolarHBondContact NE2-OD1 3.49Å; H934-D991 IonicContact NE2-OD2 3.62Å; H934-N993 WeakPolarHBondContact NE2-CB 3.34Å; H934-H1031 AromaticContact CE1-CE1 3.19Å; H934-H1031 PolarHBondContact CE1-CE1 3.28Å; H934-H1031 AromaticContact CE1-ND1 3.01Å; H934-H1031 PolarHBondContact CE1-ND1 3.16Å; H934-H1031 AromaticContact ND1-CE1 3.68Å; H934-H1031 AromaticContact ND1-ND1 3.24Å; H934-H1031 PolarHBondContact ND1-ND1 3.41Å; H934-H1031 AromaticContact NE2-CE1 3.93Å
935	P	98.4	Very high	98.3	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.013	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-38.6	-174.8	-32.9	40.8	0	0	0	116.9	R932 E937 N974 G977 V978 N982 R984	R932-P935 PolarHBondContact NE-O 2.84Å; R932-P935 PolarHBondContact NH2-O 2.96Å; P935-E937 VanDerWaalsContact C-N 3.26Å; P935-E937 PolarHBondContact O-N 2.57Å; P935-N974 WeakPolarHBondContact CD-ND2 3.47Å; P935-N974 HydrophobicContact CG-CB 4.43Å; P935-N974 WeakPolarHBondContact CG-ND2 3.31Å; P935-G977 VanDerWaalsContact CB-C 3.43Å; P935-G977 VanDerWaalsContact CG-C 3.43Å; P935-G977 VanDerWaalsContact CG-CA 3.47Å; P935-V978 HydrophobicContact CB-CG2 3.98Å; P935-N982 HydrophobicContact CB-CB 4.09Å; P935-N982 VanDerWaalsContact CB-O 3.31Å; P935-N982 WeakPolarHBondContact CB-O 3.39Å; P935-N982 HydrophobicContact CG-CB 3.93Å; P935-R984 WeakPolarHBondContact CD-O 3.25Å
936	G	97.4	Very high	98.4	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.01	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.4	-173.9	0	0	0	0	0	114.7	H934 T938 H983	H934-G936 PolarHBondContact O-N 3.14Å; G936-T938 VanDerWaalsContact C-N 3.26Å; G936-T938 PolarHBondContact O-N 3.26Å; G936-H983 PolarHBondContact N-O 3.36Å
937	E	98.3	Very high	98.5	Very high	8 Å²	8	3.8 Å²	3.8	4%	0.037	2%	0.019	C	C	.	.			trans	-86.5	60.8	-175	-67.9	174.8	-162	0	0	110.9	R932 H934 P935 N939 A940 R984 H1031 G1032	R932-E937 WeakPolarHBondContact CD-O 3.36Å; H934-E937 HydrophobicContact CB-CG 4.08Å; H934-E937 WeakPolarHBondContact CB-OE1 3.48Å; H934-E937 IonicContact CE1-OE1 3.14Å; H934-E937 IonicContact CG-OE1 2.99Å; H934-E937 IonicContact CG-OE2 2.65Å; H934-E937 IonicContact ND1-OE1 3.9Å; H934-E937 PolarHBondContact ND1-OE1 3.29Å; H934-E937 IonicContact ND1-OE2 2.81Å; H934-E937 PolarHBondContact ND1-OE2 2.99Å; P935-E937 VanDerWaalsContact C-N 3.26Å; P935-E937 PolarHBondContact O-N 2.57Å; E937-N939 PolarHBondContact O-N 3.43Å; E937-N939 VanDerWaalsContact O-N 3.15Å; E937-N939 PolarHBondContact O-OD1 3.29Å; E937-A940 WeakPolarHBondContact O-CB 3.39Å; E937-A940 PolarHBondContact O-N 3.38Å; E937-A940 VanDerWaalsContact O-N 3.1Å; E937-R984 IonicContact OE1-NH1 3.5Å; E937-R984 PolarHBondContact OE1-NH1 3.29Å; E937-H1031 WeakPolarHBondContact OE2-CA 3.46Å; E937-H1031 IonicContact OE2-CG 3.81Å; E937-H1031 IonicContact OE2-ND1 2.72Å; E937-G1032 VanDerWaalsContact CD-O 3.31Å; E937-G1032 WeakPolarHBondContact CG-O 3.46Å; E937-G1032 PolarHBondContact OE2-N 2.93Å
938	T	98.2	Very high	98.5	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-60.3	-30.7	-169.1	76.5	0	0	0	0	113.7	W763 Y863 G936 A940 S941 W942	W763-T938 HydrophobicContact CE3-CG2 4.19Å; W763-T938 HydrophobicContact CH2-CG2 3.5Å; W763-T938 VanDerWaalsContact CH2-CG2 3.5Å; W763-T938 HydrophobicContact CZ2-CG2 4.35Å; W763-T938 HydrophobicContact CZ3-CG2 3.39Å; Y863-T938 WeakPolarHBondContact O-CB 3.39Å; Y863-T938 PolarHBondContact O-OG1 3.19Å; G936-T938 VanDerWaalsContact C-N 3.26Å; G936-T938 PolarHBondContact O-N 3.26Å; T938-A940 PolarHBondContact O-N 2.86Å; T938-S941 PolarHBondContact O-N 3.14Å; T938-W942 VanDerWaalsContact O-CD1 3.26Å; T938-W942 PolarHBondContact O-N 3.38Å
939	N	97.5	Very high	98.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57.6	-32.2	177.4	57.9	-7.7	0	0	0	113.2	E937 S941 W942 V943 G1032 S1117 T1118 L1119 L1137	E937-N939 PolarHBondContact O-N 3.43Å; E937-N939 VanDerWaalsContact O-N 3.15Å; E937-N939 PolarHBondContact O-OD1 3.29Å; N939-S941 VanDerWaalsContact C-N 3.29Å; N939-S941 PolarHBondContact O-N 3.29Å; N939-W942 PolarHBondContact O-N 3.07Å; N939-W942 VanDerWaalsContact O-N 3.16Å; N939-V943 WeakPolarHBondContact O-CG2 3.45Å; N939-V943 PolarHBondContact O-N 3.34Å; N939-G1032 VanDerWaalsContact OD1-CA 3.25Å; N939-G1032 WeakPolarHBondContact OD1-CA 3.35Å; N939-S1117 PolarHBondContact ND2-O 3.2Å; N939-S1117 PolarHBondContact ND2-OG 2.9Å; N939-S1117 VanDerWaalsContact ND2-OG 3.12Å; N939-S1117 PolarHBondContact OD1-OG 3.44Å; N939-T1118 PolarHBondContact ND2-O 3.29Å; N939-L1119 HydrophobicContact CB-CD2 4.39Å; N939-L1119 VanDerWaalsContact ND2-CD2 3.35Å; N939-L1119 WeakPolarHBondContact ND2-CD2 3.2Å; N939-L1137 HydrophobicContact CB-CD1 3.59Å; N939-L1137 HydrophobicContact CB-CD2 3.89Å; N939-L1137 HydrophobicContact CB-CG 4.39Å
940	A	98.5	Very high	98.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.1	-37.4	172.7	0	0	0	0	0	113.2	E937 T938 M944 Y1030	E937-A940 WeakPolarHBondContact O-CB 3.39Å; E937-A940 PolarHBondContact O-N 3.38Å; E937-A940 VanDerWaalsContact O-N 3.1Å; T938-A940 PolarHBondContact O-N 2.86Å; A940-M944 WeakPolarHBondContact O-CB 3.43Å; A940-M944 PolarHBondContact O-N 3.29Å; A940-Y1030 VanDerWaalsContact CB-O 3.26Å; A940-Y1030 WeakPolarHBondContact CB-O 3.46Å
941	S	98.6	Very high	98.3	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-73.5	-30.5	176.7	-65.5	0	0	0	0	112.6	R932 T938 N939 M944 K945	R932-S941 WeakPolarHBondContact CD-OG 3.27Å; R932-S941 PolarHBondContact NH1-OG 3.42Å; T938-S941 PolarHBondContact O-N 3.14Å; N939-S941 VanDerWaalsContact C-N 3.29Å; N939-S941 PolarHBondContact O-N 3.29Å; S941-M944 PolarHBondContact O-N 3.07Å; S941-K945 WeakPolarHBondContact O-CB 3.47Å; S941-K945 PolarHBondContact O-N 3.34Å
942	W	98.4	Very high	98.3	Very high	15 Å²	15	8.8 Å²	8.8	6%	0.057	4%	0.042	C	C	.	.	H	α-helix	trans	-70.1	-38.3	172.5	-69.1	103	0	0	0	112.4	H669 Y863 P864 Y865 T938 N939 M944 K945 G946 T1134 L1137 E1138	H669-W942 AromaticContact CE1-CH2 3.95Å; H669-W942 AromaticContact CE1-CZ2 3.69Å; H669-W942 AromaticContact NE2-CH2 3.39Å; H669-W942 WeakPolarHBondContact NE2-CH2 3.3Å; H669-W942 AromaticContact NE2-CZ2 3.23Å; H669-W942 WeakPolarHBondContact NE2-CZ2 3.25Å; Y863-W942 PolarHBondContact O-NE1 3.02Å; P864-W942 WeakPolarHBondContact O-CZ2 3.47Å; Y865-W942 HydrophobicContact CD2-CD2 4.05Å; Y865-W942 AromaticContact CD2-CE2 3.73Å; Y865-W942 HydrophobicContact CD2-CE3 4.41Å; Y865-W942 HydrophobicContact CD2-CH2 4.22Å; Y865-W942 AromaticContact CD2-CZ2 3.81Å; Y865-W942 HydrophobicContact CD2-CZ2 3.81Å; T938-W942 VanDerWaalsContact O-CD1 3.26Å; T938-W942 PolarHBondContact O-N 3.38Å; N939-W942 PolarHBondContact O-N 3.07Å; N939-W942 VanDerWaalsContact O-N 3.16Å; W942-M944 VanDerWaalsContact C-N 3.35Å; W942-K945 HydrophobicContact CE3-CD 3.97Å; W942-K945 HydrophobicContact CZ3-CD 3.83Å; W942-K945 PolarHBondContact O-N 3.34Å; W942-G946 PolarHBondContact O-N 3.17Å; W942-G946 VanDerWaalsContact O-N 3.13Å; W942-T1134 HydrophobicContact CD2-CG2 3.5Å; W942-T1134 VanDerWaalsContact CE2-CG2 3.49Å; W942-T1134 HydrophobicContact CE3-CG2 3.71Å; W942-T1134 HydrophobicContact CG-CG2 4.09Å; W942-T1134 HydrophobicContact CH2-CG2 3.92Å; W942-T1134 HydrophobicContact CZ2-CG2 3.73Å; W942-T1134 HydrophobicContact CZ3-CG2 3.9Å; W942-L1137 HydrophobicContact CB-CB 3.69Å; W942-L1137 HydrophobicContact CB-CD1 3.94Å; W942-L1137 HydrophobicContact CB-CG 4.46Å; W942-L1137 HydrophobicContact CG-CD1 4.43Å; W942-E1138 HydrophobicContact CE3-CG 4.47Å; W942-E1138 VanDerWaalsContact CE3-OE1 3.29Å; W942-E1138 WeakPolarHBondContact CZ3-OE1 3.49Å
943	V	98.8	Very high	98.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-62.9	-42.5	169	-178.2	0	0	0	0	110.6	N939 G946 T947 Y1030 M1115 L1137 M1140 G1141	N939-V943 WeakPolarHBondContact O-CG2 3.45Å; N939-V943 PolarHBondContact O-N 3.34Å; V943-G946 PolarHBondContact O-N 3.12Å; V943-T947 PolarHBondContact O-N 3.16Å; V943-T947 PolarHBondContact O-OG1 3.35Å; V943-Y1030 HydrophobicContact CB-CD2 4.05Å; V943-Y1030 HydrophobicContact CB-CE2 4.36Å; V943-Y1030 HydrophobicContact CG1-CD2 3.71Å; V943-Y1030 HydrophobicContact CG1-CE2 3.64Å; V943-Y1030 HydrophobicContact CG1-CG 4.39Å; V943-M1115 HydrophobicContact CG1-SD 3.99Å; V943-L1137 WeakPolarHBondContact CA-O 3.39Å; V943-L1137 HydrophobicContact CG2-CB 4.05Å; V943-L1137 HydrophobicContact CG2-CD2 4Å; V943-M1140 HydrophobicContact CG1-CG 4.45Å; V943-M1140 HydrophobicContact CG2-CB 4.48Å; V943-G1141 WeakPolarHBondContact O-CA 3.25Å
944	M	98.9	Very high	97.9	Very high	3 Å²	3	15 Å²	15	2%	0.015	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-40.1	175.5	-174.4	57.3	70.9	0	0	112.5	L929 A931 A940 S941 W942 T947 L948 I969 P971 Y1030	L929-M944 HydrophobicContact CB-CE 4.22Å; A931-M944 HydrophobicContact CB-CB 4.15Å; A931-M944 HydrophobicContact CB-CE 3.66Å; A931-M944 HydrophobicContact CB-CG 4.41Å; A940-M944 WeakPolarHBondContact O-CB 3.43Å; A940-M944 PolarHBondContact O-N 3.29Å; S941-M944 PolarHBondContact O-N 3.07Å; W942-M944 VanDerWaalsContact C-N 3.35Å; M944-T947 WeakPolarHBondContact O-CB 3.24Å; M944-T947 PolarHBondContact O-N 3.46Å; M944-T947 HydrophobicContact SD-CG2 4.39Å; M944-L948 HydrophobicContact CG-CD1 4.08Å; M944-L948 HydrophobicContact CG-CG 4.3Å; M944-L948 WeakPolarHBondContact O-CG 3.49Å; M944-L948 PolarHBondContact O-N 2.84Å; M944-L948 HydrophobicContact SD-CD1 4.5Å; M944-L948 HydrophobicContact SD-CG 4.17Å; M944-I969 HydrophobicContact CE-CG2 3.87Å; M944-I969 HydrophobicContact SD-CG2 3.58Å; M944-I969 VanDerWaalsContact SD-CG2 3.58Å; M944-P971 HydrophobicContact CG-CB 3.87Å; M944-Y1030 HydrophobicContact CB-CD2 4.19Å; M944-Y1030 HydrophobicContact CB-CE2 4.46Å; M944-Y1030 HydrophobicContact CE-CD2 3.83Å; M944-Y1030 HydrophobicContact CE-CE2 3.85Å; M944-Y1030 HydrophobicContact SD-CE2 4.39Å
945	K	98.3	Very high	97.8	Very high	37 Å²	37	17 Å²	17	16%	0.161	10%	0.1	C	C	.	.	H	α-helix	trans	-56.9	-50.5	173.5	172.9	167.3	-179.5	-60.7	0	111.5	Y865 S941 W942 T947 L948 E949 E1138	Y865-K945 HydrophobicContact CE2-CB 4.43Å; Y865-K945 HydrophobicContact CE2-CD 4.02Å; S941-K945 WeakPolarHBondContact O-CB 3.47Å; S941-K945 PolarHBondContact O-N 3.34Å; W942-K945 HydrophobicContact CE3-CD 3.97Å; W942-K945 HydrophobicContact CZ3-CD 3.83Å; W942-K945 PolarHBondContact O-N 3.34Å; K945-T947 VanDerWaalsContact C-N 3.31Å; K945-T947 PolarHBondContact O-N 3.33Å; K945-L948 PolarHBondContact O-N 3.49Å; K945-L948 VanDerWaalsContact O-N 3.17Å; K945-E949 WeakPolarHBondContact CE-OE1 3.35Å; K945-E949 WeakPolarHBondContact CG-OE1 3.45Å; K945-E949 IonicContact NZ-OE1 2.72Å; K945-E949 PolarHBondContact NZ-OE1 3.43Å; K945-E949 PolarHBondContact O-N 3.44Å; K945-E1138 WeakPolarHBondContact CD-OE1 3.4Å; K945-E1138 WeakPolarHBondContact CE-OE1 3.36Å; K945-E1138 HydrophobicContact CG-CG 4.45Å; K945-E1138 IonicContact NZ-OE1 2.82Å; K945-E1138 PolarHBondContact NZ-OE1 3.04Å; K945-E1138 IonicContact NZ-OE2 2.72Å
946	G	98.2	Very high	97.7	Very high	5 Å²	5	21.7 Å²	21.7	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-37.2	175.7	0	0	0	0	0	113.9	W942 V943 F950	W942-G946 PolarHBondContact O-N 3.17Å; W942-G946 VanDerWaalsContact O-N 3.13Å; V943-G946 PolarHBondContact O-N 3.12Å; G946-F950 VanDerWaalsContact O-CB 3.3Å; G946-F950 WeakPolarHBondContact O-CB 3.28Å; G946-F950 PolarHBondContact O-N 2.94Å; G946-F950 VanDerWaalsContact O-N 3.09Å
947	T	98.8	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-46.9	172.3	-73.8	0	0	0	0	111.9	L929 V943 M944 K945 L951 Y1030 G1141	L929-T947 HydrophobicContact CD1-CG2 3.84Å; V943-T947 PolarHBondContact O-N 3.16Å; V943-T947 PolarHBondContact O-OG1 3.35Å; M944-T947 WeakPolarHBondContact O-CB 3.24Å; M944-T947 PolarHBondContact O-N 3.46Å; M944-T947 HydrophobicContact SD-CG2 4.39Å; K945-T947 VanDerWaalsContact C-N 3.31Å; K945-T947 PolarHBondContact O-N 3.33Å; T947-L951 HydrophobicContact CG2-CD1 3.91Å; T947-L951 WeakPolarHBondContact O-CB 3.23Å; T947-L951 VanDerWaalsContact O-CG 3.25Å; T947-L951 WeakPolarHBondContact O-CG 3.19Å; T947-L951 PolarHBondContact O-N 2.83Å; T947-Y1030 PolarHBondContact OG1-OH 3.37Å; T947-Y1030 VanDerWaalsContact OG1-OH 3.11Å; T947-G1141 WeakPolarHBondContact OG1-CA 3.41Å; T947-G1141 PolarHBondContact OG1-O 2.99Å
948	L	98.6	Very high	97.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-46.5	-179.1	-70.6	173.9	0	0	0	112.2	L874 L877 L904 I906 M944 K945 F950 L951 M952 I969 P971	L874-L948 HydrophobicContact CD2-CD1 4.07Å; L877-L948 HydrophobicContact CD1-CB 3.83Å; L877-L948 HydrophobicContact CD1-CD1 4.4Å; L904-L948 HydrophobicContact CD1-CD1 4.4Å; L904-L948 HydrophobicContact CD1-CD2 3.61Å; I906-L948 HydrophobicContact CD1-CD2 3.97Å; M944-L948 HydrophobicContact CG-CD1 4.08Å; M944-L948 HydrophobicContact CG-CG 4.3Å; M944-L948 WeakPolarHBondContact O-CG 3.49Å; M944-L948 PolarHBondContact O-N 2.84Å; M944-L948 HydrophobicContact SD-CD1 4.5Å; M944-L948 HydrophobicContact SD-CG 4.17Å; K945-L948 PolarHBondContact O-N 3.49Å; K945-L948 VanDerWaalsContact O-N 3.17Å; L948-F950 VanDerWaalsContact C-N 3.35Å; L948-F950 PolarHBondContact O-N 3.11Å; L948-L951 CarbonylContact O-C 3.53Å; L948-L951 PolarHBondContact O-N 3.01Å; L948-L951 VanDerWaalsContact O-N 3.12Å; L948-M952 WeakPolarHBondContact O-CG 3.44Å; L948-M952 PolarHBondContact O-N 3.15Å; L948-I969 HydrophobicContact CD2-CD1 3.74Å; L948-I969 HydrophobicContact CD2-CG2 4.42Å; L948-P971 HydrophobicContact CD1-CB 4.31Å
949	E	97.8	Very high	97.5	Very high	59 Å²	59	26.4 Å²	26.4	28%	0.276	16%	0.156	S	C	.	.	H	α-helix	trans	-62.7	-40.5	176.7	-76.5	-179.7	-135.9	0	0	112	L639 H873 L877 K945 L951 M952 G953	L639-E949 HydrophobicContact CD1-CG 3.87Å; H873-E949 IonicContact NE2-OE1 3.58Å; L877-E949 HydrophobicContact CD2-CG 4.25Å; K945-E949 WeakPolarHBondContact CE-OE1 3.35Å; K945-E949 WeakPolarHBondContact CG-OE1 3.45Å; K945-E949 IonicContact NZ-OE1 2.72Å; K945-E949 PolarHBondContact NZ-OE1 3.43Å; K945-E949 PolarHBondContact O-N 3.44Å; E949-L951 VanDerWaalsContact C-N 3.33Å; E949-L951 PolarHBondContact O-N 3.18Å; E949-M952 PolarHBondContact O-N 3.13Å; E949-G953 PolarHBondContact O-N 3.47Å
950	F	98.2	Very high	97.5	Very high	33 Å²	33	29.6 Å²	29.6	15%	0.145	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-42.6	172.3	-171.8	-79.4	0	0	0	111.3	G946 L948 M952 G953 L957 A958 L961 A1142 C1145 V1146	G946-F950 VanDerWaalsContact O-CB 3.3Å; G946-F950 WeakPolarHBondContact O-CB 3.28Å; G946-F950 PolarHBondContact O-N 2.94Å; G946-F950 VanDerWaalsContact O-N 3.09Å; L948-F950 VanDerWaalsContact C-N 3.35Å; L948-F950 PolarHBondContact O-N 3.11Å; F950-M952 VanDerWaalsContact C-N 3.3Å; F950-M952 PolarHBondContact O-N 3.37Å; F950-G953 PolarHBondContact O-N 3.43Å; F950-L957 HydrophobicContact CZ-CB 3.83Å; F950-A958 HydrophobicContact CD1-CB 4.18Å; F950-A958 HydrophobicContact CE1-CB 3.98Å; F950-A958 HydrophobicContact CZ-CB 4.47Å; F950-A958 WeakPolarHBondContact O-CB 3.29Å; F950-L961 HydrophobicContact CD1-CD2 4.25Å; F950-L961 HydrophobicContact CE1-CD2 3.91Å; F950-A1142 HydrophobicContact CB-CB 4.25Å; F950-A1142 HydrophobicContact CD2-CB 3.84Å; F950-A1142 HydrophobicContact CG-CB 4.39Å; F950-C1145 HydrophobicContact CB-CB 4.35Å; F950-C1145 HydrophobicContact CD1-CB 3.21Å; F950-C1145 HydrophobicContact CD2-CB 4.5Å; F950-C1145 HydrophobicContact CE1-CB 3.49Å; F950-C1145 VanDerWaalsContact CE1-CB 3.49Å; F950-C1145 HydrophobicContact CG-CB 3.78Å; F950-C1145 HydrophobicContact CZ-CB 4.24Å; F950-V1146 HydrophobicContact CE2-CG2 3.79Å; F950-V1146 HydrophobicContact CZ-CG2 3.76Å
951	L	98.1	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-21.6	178.7	-74.7	173.5	0	0	0	114	I906 T947 L948 E949 L961 R962 F967 I969	I906-L951 HydrophobicContact CD1-CB 4.38Å; I906-L951 HydrophobicContact CG2-CB 4.33Å; T947-L951 HydrophobicContact CG2-CD1 3.91Å; T947-L951 WeakPolarHBondContact O-CB 3.23Å; T947-L951 VanDerWaalsContact O-CG 3.25Å; T947-L951 WeakPolarHBondContact O-CG 3.19Å; T947-L951 PolarHBondContact O-N 2.83Å; L948-L951 CarbonylContact O-C 3.53Å; L948-L951 PolarHBondContact O-N 3.01Å; L948-L951 VanDerWaalsContact O-N 3.12Å; E949-L951 VanDerWaalsContact C-N 3.33Å; E949-L951 PolarHBondContact O-N 3.18Å; L951-L961 HydrophobicContact CD2-CD2 3.82Å; L951-L961 HydrophobicContact CD2-CG 4.43Å; L951-R962 VanDerWaalsContact O-CD 3.31Å; L951-R962 WeakPolarHBondContact O-CD 3.27Å; L951-R962 PolarHBondContact O-NH1 2.8Å; L951-F967 HydrophobicContact CD1-CB 4.22Å; L951-F967 HydrophobicContact CD1-CD1 3.75Å; L951-F967 HydrophobicContact CD1-CD2 4.34Å; L951-F967 HydrophobicContact CD1-CE1 4.23Å; L951-F967 HydrophobicContact CD1-CG 3.83Å; L951-F967 HydrophobicContact CD2-CD1 4.17Å; L951-F967 HydrophobicContact CD2-CD2 3.67Å; L951-F967 HydrophobicContact CD2-CE1 4.04Å; L951-F967 HydrophobicContact CD2-CE2 3.53Å; L951-F967 HydrophobicContact CD2-CG 4Å; L951-F967 HydrophobicContact CD2-CZ 3.74Å; L951-I969 HydrophobicContact CD1-CD1 3.71Å
952	M	96.9	Very high	97.3	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.054	17%	0.173	C	C	.	.	H	α-helix	trans	-94.9	-18.8	172.9	-65.2	-58.6	-72.8	0	0	113.2	L877 R881 I885 L887 I906 L948 E949 F950	L877-M952 HydrophobicContact CB-CG 4.3Å; L877-M952 HydrophobicContact CD1-CG 4.36Å; L877-M952 HydrophobicContact CD2-CB 4.2Å; L877-M952 HydrophobicContact CD2-CG 4.14Å; L877-M952 WeakPolarHBondContact O-CE 3.37Å; R881-M952 HydrophobicContact CB-CE 4.09Å; R881-M952 HydrophobicContact CG-CE 4.23Å; I885-M952 HydrophobicContact CD1-CE 4.43Å; I885-M952 WeakPolarHBondContact CD1-O 3.42Å; I885-M952 HydrophobicContact CG2-CE 4.03Å; I885-M952 HydrophobicContact CG2-SD 3.87Å; L887-M952 HydrophobicContact CB-CE 4.42Å; L887-M952 HydrophobicContact CD2-CE 3.89Å; I906-M952 HydrophobicContact CD1-SD 4.24Å; I906-M952 HydrophobicContact CG2-SD 4.11Å; L948-M952 WeakPolarHBondContact O-CG 3.44Å; L948-M952 PolarHBondContact O-N 3.15Å; E949-M952 PolarHBondContact O-N 3.13Å; F950-M952 VanDerWaalsContact C-N 3.3Å; F950-M952 PolarHBondContact O-N 3.37Å
953	G	94.9	Very high	97.2	Very high	26 Å²	26	32.9 Å²	32.9	27%	0.268	19%	0.188	S	C	.	.	S	Bend	trans	-63.5	154.4	-177.3	0	0	0	0	0	115.2	E949 F950 S955 A958 R962	E949-G953 PolarHBondContact O-N 3.47Å; F950-G953 PolarHBondContact O-N 3.43Å; G953-S955 VanDerWaalsContact C-N 3.34Å; G953-S955 PolarHBondContact O-N 3.11Å; G953-A958 VanDerWaalsContact O-CB 3.31Å; G953-A958 WeakPolarHBondContact O-CB 3.25Å; G953-R962 PolarHBondContact O-NH1 3.45Å; G953-R962 PolarHBondContact O-NH2 3.01Å
954	T	94.4	Very high	97.1	Very high	108 Å²	108	33 Å²	33	66%	0.663	19%	0.19	S	C	*	.			trans	-87.2	4.8	-178.2	52.2	0	0	0	0	114.3	T882	T882-T954 HydrophobicContact CG2-CG2 3.91Å
955	S	95.9	Very high	97	Very high	45 Å²	45	33.1 Å²	33.1	32%	0.315	19%	0.19	S	C	.	.	S	Bend	trans	-63.5	148.7	-178	83.7	0	0	0	0	112.1	G953 L957 A958 V959	G953-S955 VanDerWaalsContact C-N 3.34Å; G953-S955 PolarHBondContact O-N 3.11Å; S955-L957 PolarHBondContact O-N 3Å; S955-L957 VanDerWaalsContact O-N 3.13Å; S955-A958 WeakPolarHBondContact O-CB 3.16Å; S955-A958 PolarHBondContact O-N 3.26Å; S955-A958 WeakPolarHBondContact OG-CB 3.34Å; S955-A958 PolarHBondContact OG-N 3.47Å; S955-A958 VanDerWaalsContact OG-N 3.15Å; S955-V959 WeakPolarHBondContact O-CG2 3.45Å; S955-V959 PolarHBondContact O-N 2.93Å
956	P	96.8	Very high	97	Very high	100 Å²	100	31.3 Å²	31.3	65%	0.649	18%	0.182	S	C	*	.	H	α-helix	trans	-57.1	-30.6	177.4	-27.6	35.7	0	0	0	113.8	N960	P956-N960 WeakPolarHBondContact O-CB 3.42Å; P956-N960 PolarHBondContact O-N 3.25Å; P956-N960 PolarHBondContact O-ND2 3.23Å
957	L	96.6	Very high	97.1	Very high	80 Å²	80	31.1 Å²	31.1	42%	0.419	18%	0.18	S	C	.	.	H	α-helix	trans	-70.8	-40.8	176.1	-59.9	178.8	0	0	0	111.7	F950 S955 L961 V1146 L1149	F950-L957 HydrophobicContact CZ-CB 3.83Å; S955-L957 PolarHBondContact O-N 3Å; S955-L957 VanDerWaalsContact O-N 3.13Å; L957-L961 VanDerWaalsContact O-CB 3.32Å; L957-L961 WeakPolarHBondContact O-CB 3.11Å; L957-L961 PolarHBondContact O-N 3.5Å; L957-V1146 HydrophobicContact CD1-CG2 4.36Å; L957-L1149 HydrophobicContact CB-CD2 4.24Å; L957-L1149 HydrophobicContact CD2-CD2 3.93Å
958	A	96.7	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-43.6	175.6	0	0	0	0	0	112	F950 G953 S955 L961 R962	F950-A958 HydrophobicContact CD1-CB 4.18Å; F950-A958 HydrophobicContact CE1-CB 3.98Å; F950-A958 HydrophobicContact CZ-CB 4.47Å; F950-A958 WeakPolarHBondContact O-CB 3.29Å; G953-A958 VanDerWaalsContact O-CB 3.31Å; G953-A958 WeakPolarHBondContact O-CB 3.25Å; S955-A958 WeakPolarHBondContact O-CB 3.16Å; S955-A958 PolarHBondContact O-N 3.26Å; S955-A958 WeakPolarHBondContact OG-CB 3.34Å; S955-A958 PolarHBondContact OG-N 3.47Å; S955-A958 VanDerWaalsContact OG-N 3.15Å; A958-L961 PolarHBondContact O-N 3.09Å; A958-R962 WeakPolarHBondContact O-CB 3.36Å; A958-R962 PolarHBondContact O-N 3.06Å
959	V	96.7	Very high	97.1	Very high	27 Å²	27	31.1 Å²	31.1	16%	0.164	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-54	173.4	174.6	0	0	0	0	110.8	S955 L961 R962 E963	S955-V959 WeakPolarHBondContact O-CG2 3.45Å; S955-V959 PolarHBondContact O-N 2.93Å; V959-L961 PolarHBondContact O-N 3.21Å; V959-L961 VanDerWaalsContact O-N 3.15Å; V959-R962 PolarHBondContact O-N 3.19Å; V959-R962 VanDerWaalsContact O-N 3.15Å; V959-E963 HydrophobicContact CG1-CG 4.43Å; V959-E963 VanDerWaalsContact CG1-OE1 3.27Å; V959-E963 WeakPolarHBondContact CG1-OE1 3.48Å; V959-E963 WeakPolarHBondContact O-CG 3.27Å; V959-E963 PolarHBondContact O-N 3.31Å
960	N	96.6	Very high	97.1	Very high	68 Å²	68	28.3 Å²	28.3	36%	0.364	17%	0.167	S	C	.	.	H	α-helix	trans	-59.3	-28.7	178.8	-89.2	-103.9	0	0	0	113.7	P956 A964 L1149	P956-N960 WeakPolarHBondContact O-CB 3.42Å; P956-N960 PolarHBondContact O-N 3.25Å; P956-N960 PolarHBondContact O-ND2 3.23Å; N960-A964 WeakPolarHBondContact O-CB 3.43Å; N960-A964 PolarHBondContact O-N 3.04Å; N960-L1149 HydrophobicContact CB-CD1 4.01Å; N960-L1149 HydrophobicContact CB-CD2 3.99Å
961	L	97.4	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-79	-42.9	177.3	-175.6	69	0	0	0	111.7	F950 L951 L957 A958 V959 E963 A964 Y965 F967 C1145 M1148 L1149	F950-L961 HydrophobicContact CD1-CD2 4.25Å; F950-L961 HydrophobicContact CE1-CD2 3.91Å; L951-L961 HydrophobicContact CD2-CD2 3.82Å; L951-L961 HydrophobicContact CD2-CG 4.43Å; L957-L961 VanDerWaalsContact O-CB 3.32Å; L957-L961 WeakPolarHBondContact O-CB 3.11Å; L957-L961 PolarHBondContact O-N 3.5Å; A958-L961 PolarHBondContact O-N 3.09Å; V959-L961 PolarHBondContact O-N 3.21Å; V959-L961 VanDerWaalsContact O-N 3.15Å; L961-E963 VanDerWaalsContact C-N 3.29Å; L961-E963 PolarHBondContact O-N 3.5Å; L961-A964 VanDerWaalsContact O-CB 3.3Å; L961-A964 WeakPolarHBondContact O-CB 3.48Å; L961-A964 PolarHBondContact O-N 3.24Å; L961-Y965 HydrophobicContact CD1-CD2 3.76Å; L961-Y965 HydrophobicContact CD1-CE2 4Å; L961-Y965 PolarHBondContact O-N 3.44Å; L961-F967 HydrophobicContact CD1-CE2 4.45Å; L961-F967 HydrophobicContact CD1-CZ 3.93Å; L961-F967 HydrophobicContact CD2-CE2 4.33Å; L961-F967 HydrophobicContact CD2-CZ 3.84Å; L961-F967 HydrophobicContact CG-CE2 3.9Å; L961-F967 HydrophobicContact CG-CZ 3.67Å; L961-C1145 HydrophobicContact CD2-CB 3.53Å; L961-C1145 WeakPolarHBondContact CD2-O 3.32Å; L961-M1148 HydrophobicContact CD1-CB 3.95Å; L961-L1149 HydrophobicContact CD1-CB 3.99Å
962	R	97.3	Very high	97.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-33.5	171.7	-80.1	-165.4	-62.3	-88.5	4.2	112.7	T907 A908 L951 G953 A958 V959 A964 Y965	T907-R962 PolarHBondContact OG1-O 3.44Å; A908-R962 HydrophobicContact CB-CB 3.84Å; A908-R962 PolarHBondContact N-O 3.24Å; L951-R962 VanDerWaalsContact O-CD 3.31Å; L951-R962 WeakPolarHBondContact O-CD 3.27Å; L951-R962 PolarHBondContact O-NH1 2.8Å; G953-R962 PolarHBondContact O-NH1 3.45Å; G953-R962 PolarHBondContact O-NH2 3.01Å; A958-R962 WeakPolarHBondContact O-CB 3.36Å; A958-R962 PolarHBondContact O-N 3.06Å; V959-R962 PolarHBondContact O-N 3.19Å; V959-R962 VanDerWaalsContact O-N 3.15Å; R962-A964 VanDerWaalsContact C-N 3.29Å; R962-Y965 VanDerWaalsContact O-O 3.13Å
963	E	95.9	Very high	97.3	Very high	82 Å²	82	26.3 Å²	26.3	38%	0.383	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.2	171.8	-71.4	166.7	174.9	0	0	113	A908 R924 V959 L961	A908-E963 HydrophobicContact CB-CG 3.92Å; R924-E963 PolarHBondContact NE-O 2.98Å; V959-E963 HydrophobicContact CG1-CG 4.43Å; V959-E963 VanDerWaalsContact CG1-OE1 3.27Å; V959-E963 WeakPolarHBondContact CG1-OE1 3.48Å; V959-E963 WeakPolarHBondContact O-CG 3.27Å; V959-E963 PolarHBondContact O-N 3.31Å; L961-E963 VanDerWaalsContact C-N 3.29Å; L961-E963 PolarHBondContact O-N 3.5Å
964	A	95.8	Very high	97.5	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.041	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-37	-179.1	0	0	0	0	0	113.7	P925 N960 L961 R962 K1152	P925-A964 WeakPolarHBondContact CD-O 3.48Å; N960-A964 WeakPolarHBondContact O-CB 3.43Å; N960-A964 PolarHBondContact O-N 3.04Å; L961-A964 VanDerWaalsContact O-CB 3.3Å; L961-A964 WeakPolarHBondContact O-CB 3.48Å; L961-A964 PolarHBondContact O-N 3.24Å; R962-A964 VanDerWaalsContact C-N 3.29Å; A964-K1152 HydrophobicContact CB-CD 3.51Å; A964-K1152 HydrophobicContact CB-CG 4.32Å; A964-K1152 VanDerWaalsContact CB-NZ 3.32Å
965	Y	98	Very high	97.7	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.016	11%	0.114	C	C	.	.			trans	-143.9	160.1	-161.8	-61.4	-57.3	0	0	0	112.6	T907 P925 I927 L961 R962 F967 L1025 K1152	T907-Y965 WeakPolarHBondContact CB-O 3.23Å; T907-Y965 PolarHBondContact OG1-O 3.2Å; P925-Y965 HydrophobicContact CB-CD1 3.98Å; P925-Y965 HydrophobicContact CB-CE1 4.18Å; P925-Y965 HydrophobicContact CG-CD1 4.2Å; P925-Y965 HydrophobicContact CG-CE1 4.2Å; P925-Y965 WeakPolarHBondContact O-CA 3.36Å; I927-Y965 HydrophobicContact CD1-CD1 3.82Å; I927-Y965 HydrophobicContact CD1-CD2 4.3Å; I927-Y965 HydrophobicContact CD1-CE1 4.06Å; I927-Y965 HydrophobicContact CD1-CG 3.96Å; I927-Y965 HydrophobicContact CG1-CD1 4.14Å; I927-Y965 HydrophobicContact CG1-CD2 4.09Å; I927-Y965 HydrophobicContact CG1-CG 3.78Å; L961-Y965 HydrophobicContact CD1-CD2 3.76Å; L961-Y965 HydrophobicContact CD1-CE2 4Å; L961-Y965 PolarHBondContact O-N 3.44Å; R962-Y965 VanDerWaalsContact O-O 3.13Å; Y965-F967 HydrophobicContact CD2-CE2 4.42Å; Y965-F967 HydrophobicContact CD2-CZ 4.2Å; Y965-L1025 HydrophobicContact CE1-CD2 3.54Å; Y965-K1152 HydrophobicContact CE2-CB 4.4Å; Y965-K1152 WeakPolarHBondContact OH-CA 3.31Å; Y965-K1152 WeakPolarHBondContact OH-CB 3.48Å; Y965-K1152 PolarHBondContact OH-N 2.82Å
966	I	98.4	Very high	97.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.1	161.4	-60.9	155.9	0	0	0	107.2	E428 T905 T907 R924 P925 F926 I927	E428-I966 HydrophobicContact CG-CD1 4.22Å; E428-I966 HydrophobicContact CG-CG2 4.26Å; T905-I966 HydrophobicContact CG2-CG2 3.66Å; T907-I966 HydrophobicContact CG2-CG1 4.23Å; R924-I966 HydrophobicContact CB-CD1 4.06Å; R924-I966 HydrophobicContact CB-CG1 3.94Å; P925-I966 PolarHBondContact O-N 2.81Å; F926-I966 CarbonylContact C-O 3.55Å; F926-I966 VanDerWaalsContact CA-O 3.31Å; F926-I966 WeakPolarHBondContact CA-O 3.36Å; F926-I966 HydrophobicContact CD1-CB 3.86Å; F926-I966 HydrophobicContact CD1-CG2 3.74Å; F926-I966 HydrophobicContact CE1-CB 3.88Å; F926-I966 HydrophobicContact CE1-CD1 4.28Å; F926-I966 HydrophobicContact CE1-CG2 3.43Å; F926-I966 VanDerWaalsContact CE1-CG2 3.43Å; F926-I966 HydrophobicContact CZ-CD1 4.12Å; F926-I966 HydrophobicContact CZ-CG2 4.31Å; I927-I966 PolarHBondContact N-O 3.24Å
967	F	98.8	Very high	97.9	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.5	174.4	-68.9	-96.1	0	0	0	109.1	T905 I906 I927 L929 L951 L961 Y965 I969	T905-F967 CarbonylContact C-O 3.34Å; T905-F967 VanDerWaalsContact CA-O 3.32Å; T905-F967 WeakPolarHBondContact CA-O 3.38Å; I906-F967 HydrophobicContact CB-CB 4.35Å; I906-F967 PolarHBondContact N-O 3.16Å; I906-F967 PolarHBondContact O-N 2.94Å; I927-F967 HydrophobicContact CB-CD1 3.79Å; I927-F967 HydrophobicContact CB-CE1 3.83Å; I927-F967 HydrophobicContact CB-CG 4.46Å; I927-F967 HydrophobicContact CG1-CD1 4.26Å; I927-F967 HydrophobicContact CG1-CE1 3.87Å; I927-F967 HydrophobicContact CG1-CZ 4.1Å; I927-F967 HydrophobicContact CG2-CD1 4.03Å; I927-F967 HydrophobicContact CG2-CE1 3.92Å; I927-F967 WeakPolarHBondContact O-CA 3.46Å; L929-F967 HydrophobicContact CD1-CD1 4.17Å; L951-F967 HydrophobicContact CD1-CB 4.22Å; L951-F967 HydrophobicContact CD1-CD1 3.75Å; L951-F967 HydrophobicContact CD1-CD2 4.34Å; L951-F967 HydrophobicContact CD1-CE1 4.23Å; L951-F967 HydrophobicContact CD1-CG 3.83Å; L951-F967 HydrophobicContact CD2-CD1 4.17Å; L951-F967 HydrophobicContact CD2-CD2 3.67Å; L951-F967 HydrophobicContact CD2-CE1 4.04Å; L951-F967 HydrophobicContact CD2-CE2 3.53Å; L951-F967 HydrophobicContact CD2-CG 4Å; L951-F967 HydrophobicContact CD2-CZ 3.74Å; L961-F967 HydrophobicContact CD1-CE2 4.45Å; L961-F967 HydrophobicContact CD1-CZ 3.93Å; L961-F967 HydrophobicContact CD2-CE2 4.33Å; L961-F967 HydrophobicContact CD2-CZ 3.84Å; L961-F967 HydrophobicContact CG-CE2 3.9Å; L961-F967 HydrophobicContact CG-CZ 3.67Å; Y965-F967 HydrophobicContact CD2-CE2 4.42Å; Y965-F967 HydrophobicContact CD2-CZ 4.2Å; F967-I969 HydrophobicContact CB-CD1 4.11Å; F967-I969 HydrophobicContact CB-CG1 4.15Å
968	K	98.8	Very high	98	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.9	171	-159.9	74.2	-174.3	171.6	0	107.7	F425 F426 D890 L903 L904 T905 F926 I927 F928 L929	F425-K968 PolarHBondContact O-NZ 3.25Å; F426-K968 HydrophobicContact CE1-CD 4.25Å; F426-K968 HydrophobicContact CE1-CG 4.45Å; D890-K968 IonicContact OD2-NZ 3.42Å; L903-K968 HydrophobicContact CD1-CD 4.42Å; L903-K968 HydrophobicContact CD1-CG 4.14Å; L903-K968 VanDerWaalsContact CD2-CE 3.43Å; L903-K968 VanDerWaalsContact CG-CE 3.49Å; L904-K968 CarbonylContact O-C 3.55Å; L904-K968 VanDerWaalsContact O-CA 3.31Å; L904-K968 WeakPolarHBondContact O-CA 3.44Å; T905-K968 WeakPolarHBondContact OG1-CD 3.33Å; T905-K968 PolarHBondContact OG1-NZ 2.91Å; F926-K968 HydrophobicContact CD1-CB 4.46Å; I927-K968 PolarHBondContact O-N 3.49Å; F928-K968 CarbonylContact C-O 3.55Å; F928-K968 VanDerWaalsContact CA-O 3.32Å; F928-K968 WeakPolarHBondContact CA-O 3.44Å; F928-K968 HydrophobicContact CD2-CB 3.86Å; F928-K968 HydrophobicContact CD2-CG 4.08Å; F928-K968 HydrophobicContact CE2-CB 4.13Å; F928-K968 HydrophobicContact CE2-CG 3.84Å; L929-K968 PolarHBondContact N-O 3.42Å
969	I	98.9	Very high	98	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130	-165.1	-50.6	-179.7	0	0	0	110.8	L903 L904 I906 L929 M944 L948 L951 F967 P971	L903-I969 WeakPolarHBondContact CA-O 3.47Å; L904-I969 HydrophobicContact CB-CB 4.29Å; L904-I969 PolarHBondContact N-O 2.84Å; L904-I969 PolarHBondContact O-N 2.82Å; I906-I969 HydrophobicContact CD1-CD1 4.24Å; L929-I969 HydrophobicContact CB-CG1 4.27Å; L929-I969 HydrophobicContact CB-CG2 4.28Å; L929-I969 HydrophobicContact CD1-CD1 4.3Å; L929-I969 HydrophobicContact CD1-CG1 4.38Å; L929-I969 WeakPolarHBondContact O-CA 3.19Å; M944-I969 HydrophobicContact CE-CG2 3.87Å; M944-I969 HydrophobicContact SD-CG2 3.58Å; M944-I969 VanDerWaalsContact SD-CG2 3.58Å; L948-I969 HydrophobicContact CD2-CD1 3.74Å; L948-I969 HydrophobicContact CD2-CG2 4.42Å; L951-I969 HydrophobicContact CD1-CD1 3.71Å; F967-I969 HydrophobicContact CB-CD1 4.11Å; F967-I969 HydrophobicContact CB-CG1 4.15Å; I969-P971 HydrophobicContact CG2-CB 4.48Å
970	V	98.9	Very high	98.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	94.3	165.7	-177.4	0	0	0	0	108.1	L892 L903 F928 L929 S930 A931 M972 L973	L892-V970 HydrophobicContact CD2-CG2 4.18Å; L903-V970 HydrophobicContact CD1-CG2 3.6Å; F928-V970 HydrophobicContact CE1-CG2 4.38Å; F928-V970 HydrophobicContact CZ-CG2 4.25Å; L929-V970 PolarHBondContact O-N 3.19Å; S930-V970 VanDerWaalsContact CA-O 3.32Å; S930-V970 WeakPolarHBondContact CA-O 3.44Å; A931-V970 PolarHBondContact N-O 2.76Å; V970-M972 PolarHBondContact O-N 3.25Å; V970-L973 HydrophobicContact CB-CD2 4.34Å; V970-L973 HydrophobicContact CG1-CD2 3.68Å; V970-L973 HydrophobicContact CG1-CG 4.08Å
971	P	98.7	Very high	98.2	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.013	3%	0.027	C	C	.	.	S	Bend	trans	-72.4	-11.3	-167.3	27	-34	0	0	0	115.1	L870 L874 P902 L904 M944 L948 I969	L870-P971 HydrophobicContact CD1-CB 3.99Å; L870-P971 HydrophobicContact CD1-CG 4.11Å; L870-P971 HydrophobicContact CD2-CB 4.36Å; L870-P971 HydrophobicContact CD2-CG 4.14Å; L874-P971 HydrophobicContact CD1-CG 4.32Å; P902-P971 HydrophobicContact CB-CG 4.46Å; P902-P971 WeakPolarHBondContact O-CD 3.2Å; L904-P971 HydrophobicContact CD1-CG 4.36Å; M944-P971 HydrophobicContact CG-CB 3.87Å; L948-P971 HydrophobicContact CD1-CB 4.31Å; I969-P971 HydrophobicContact CG2-CB 4.48Å
972	M	98.8	Very high	98.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.028	C	C	.	.			trans	-154.8	113.2	172.7	-177.5	178.6	-70.2	0	0	109.7	Y865 Y867 L870 A931 R932 V970 P975 V978	Y865-M972 HydrophobicContact CD1-CE 4.49Å; Y867-M972 HydrophobicContact CD2-SD 3.9Å; Y867-M972 HydrophobicContact CG-SD 4.4Å; L870-M972 HydrophobicContact CB-CE 4.41Å; L870-M972 HydrophobicContact CD2-CB 3.55Å; L870-M972 HydrophobicContact CD2-CE 4.09Å; L870-M972 HydrophobicContact CD2-SD 4.27Å; A931-M972 WeakPolarHBondContact O-CA 3.32Å; R932-M972 HydrophobicContact CB-CG 4.22Å; R932-M972 HydrophobicContact CG-CE 4.42Å; R932-M972 HydrophobicContact CG-CG 4.18Å; V970-M972 PolarHBondContact O-N 3.25Å; M972-P975 HydrophobicContact CG-CG 4.46Å; M972-P975 HydrophobicContact SD-CB 4.5Å; M972-V978 HydrophobicContact CE-CB 4.41Å; M972-V978 HydrophobicContact CE-CG1 3.97Å; M972-V978 HydrophobicContact CE-CG2 4.18Å; M972-V978 HydrophobicContact CG-CG2 4.4Å; M972-V978 HydrophobicContact SD-CB 3.97Å; M972-V978 HydrophobicContact SD-CG1 4.1Å; M972-V978 HydrophobicContact SD-CG2 3.89Å
973	L	98.8	Very high	98.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.028	C	C	.	.	S	Bend	trans	-81.6	-19	-178.9	-82.8	171.6	0	0	0	114.1	A931 R932 V933 V970 W996 T1006 I1007 T1010	A931-L973 PolarHBondContact O-N 3.21Å; R932-L973 PolarHBondContact O-N 3.08Å; V933-L973 HydrophobicContact CB-CB 3.85Å; V933-L973 HydrophobicContact CB-CD1 3.97Å; V933-L973 HydrophobicContact CG2-CB 4.23Å; V933-L973 HydrophobicContact CG2-CD1 4.39Å; V970-L973 HydrophobicContact CB-CD2 4.34Å; V970-L973 HydrophobicContact CG1-CD2 3.68Å; V970-L973 HydrophobicContact CG1-CG 4.08Å; L973-W996 HydrophobicContact CD1-CZ2 3.98Å; L973-T1006 WeakPolarHBondContact O-CB 3.48Å; L973-T1006 WeakPolarHBondContact O-CG2 3.21Å; L973-T1006 PolarHBondContact O-OG1 3.35Å; L973-I1007 HydrophobicContact CD1-CD1 4.37Å; L973-I1007 HydrophobicContact CD2-CD1 4.2Å; L973-T1010 HydrophobicContact CD2-CG2 4.39Å; L973-T1010 WeakPolarHBondContact CD2-OG1 3.5Å
974	N	98.7	Very high	98.2	Very high	4 Å²	4	3 Å²	3	2%	0.021	2%	0.015	C	C	.	.			trans	-130	69.5	-180	-168.3	-5.8	0	0	0	112.6	R932 V933 P935 D976 G977 V978 C985 S986 L992	R932-N974 PolarHBondContact O-N 3.36Å; V933-N974 WeakPolarHBondContact O-CB 3.5Å; V933-N974 PolarHBondContact O-ND2 2.85Å; V933-N974 VanDerWaalsContact O-ND2 3.07Å; P935-N974 WeakPolarHBondContact CD-ND2 3.47Å; P935-N974 HydrophobicContact CG-CB 4.43Å; P935-N974 WeakPolarHBondContact CG-ND2 3.31Å; N974-D976 PolarHBondContact O-N 2.99Å; N974-G977 PolarHBondContact OD1-N 2.84Å; N974-V978 WeakPolarHBondContact O-CG2 3.41Å; N974-V978 PolarHBondContact O-N 2.87Å; N974-C985 PolarHBondContact ND2-O 3.48Å; N974-C985 VanDerWaalsContact ND2-O 3.08Å; N974-S986 PolarHBondContact ND2-N 2.84Å; N974-L992 HydrophobicContact CB-CD1 4.01Å
975	P	98.6	Very high	98.2	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-52.9	-48.9	175.3	-27.8	36.1	0	0	0	113.2	Y867 T895 N899 M972 G977 V978 V979	Y867-P975 HydrophobicContact CD2-CB 3.72Å; Y867-P975 HydrophobicContact CD2-CG 4.17Å; Y867-P975 HydrophobicContact CE2-CB 3.8Å; Y867-P975 HydrophobicContact CE2-CG 4Å; Y867-P975 HydrophobicContact CG-CB 4.11Å; T895-P975 HydrophobicContact CG2-CB 4.26Å; T895-P975 HydrophobicContact CG2-CG 3.99Å; N899-P975 HydrophobicContact CB-CB 4.15Å; M972-P975 HydrophobicContact CG-CG 4.46Å; M972-P975 HydrophobicContact SD-CB 4.5Å; P975-G977 PolarHBondContact O-N 3.15Å; P975-V978 WeakPolarHBondContact O-CB 3.42Å; P975-V978 PolarHBondContact O-N 3.02Å; P975-V978 VanDerWaalsContact O-N 3.09Å; P975-V979 WeakPolarHBondContact O-CG2 3.36Å; P975-V979 PolarHBondContact O-N 3.01Å
976	D	98.5	Very high	98.1	Very high	4 Å²	4	2.9 Å²	2.9	2%	0.021	1%	0.014	C	C	.	.	H	α-helix	trans	-62.5	-45	-173.2	-68.6	-1.4	0	0	0	112.8	T895 L896 S897 N899 N974 V978 V979 N980 L987	T895-D976 WeakPolarHBondContact CB-OD1 3.37Å; T895-D976 VanDerWaalsContact CB-OD2 3.3Å; T895-D976 WeakPolarHBondContact CB-OD2 3.48Å; T895-D976 PolarHBondContact OG1-OD1 2.95Å; T895-D976 PolarHBondContact OG1-OD2 3.17Å; L896-D976 PolarHBondContact N-OD2 3Å; S897-D976 PolarHBondContact N-OD2 3.39Å; S897-D976 PolarHBondContact OG-OD1 2.85Å; S897-D976 PolarHBondContact OG-OD2 3.39Å; S897-D976 VanDerWaalsContact OG-OD2 3.06Å; N899-D976 PolarHBondContact ND2-OD1 3.48Å; N974-D976 PolarHBondContact O-N 2.99Å; D976-V978 VanDerWaalsContact C-N 3.29Å; D976-V978 PolarHBondContact O-N 3.38Å; D976-V979 PolarHBondContact O-N 2.89Å; D976-N980 WeakPolarHBondContact O-CB 3.12Å; D976-N980 PolarHBondContact O-N 2.94Å; D976-N980 PolarHBondContact O-ND2 3.38Å; D976-L987 HydrophobicContact CB-CD1 3.83Å; D976-L987 HydrophobicContact CB-CD2 4.45Å; D976-L987 HydrophobicContact CB-CG 3.78Å; D976-L987 WeakPolarHBondContact OD2-CD1 3.35Å
977	G	98.3	Very high	98	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-63.8	-36.5	176.1	0	0	0	0	0	112.1	P935 N974 P975 G981 N982	P935-G977 VanDerWaalsContact CB-C 3.43Å; P935-G977 VanDerWaalsContact CG-C 3.43Å; P935-G977 VanDerWaalsContact CG-CA 3.47Å; N974-G977 PolarHBondContact OD1-N 2.84Å; P975-G977 PolarHBondContact O-N 3.15Å; G977-G981 PolarHBondContact O-N 3.36Å; G977-N982 WeakPolarHBondContact O-CB 3.39Å; G977-N982 PolarHBondContact O-N 2.9Å
978	V	98.7	Very high	97.7	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.012	1%	0.014	C	C	.	.	H	α-helix	trans	-65.4	-46.4	175	170.6	0	0	0	0	110.9	S733 R932 P935 M972 N974 P975 D976 N980 G981	S733-V978 VanDerWaalsContact CA-O 3.27Å; S733-V978 WeakPolarHBondContact CA-O 3.47Å; S733-V978 WeakPolarHBondContact CB-O 3.44Å; S733-V978 PolarHBondContact OG-O 3.49Å; R932-V978 HydrophobicContact CG-CG2 3.98Å; P935-V978 HydrophobicContact CB-CG2 3.98Å; M972-V978 HydrophobicContact CE-CB 4.41Å; M972-V978 HydrophobicContact CE-CG1 3.97Å; M972-V978 HydrophobicContact CE-CG2 4.18Å; M972-V978 HydrophobicContact CG-CG2 4.4Å; M972-V978 HydrophobicContact SD-CB 3.97Å; M972-V978 HydrophobicContact SD-CG1 4.1Å; M972-V978 HydrophobicContact SD-CG2 3.89Å; N974-V978 WeakPolarHBondContact O-CG2 3.41Å; N974-V978 PolarHBondContact O-N 2.87Å; P975-V978 WeakPolarHBondContact O-CB 3.42Å; P975-V978 PolarHBondContact O-N 3.02Å; P975-V978 VanDerWaalsContact O-N 3.09Å; D976-V978 VanDerWaalsContact C-N 3.29Å; D976-V978 PolarHBondContact O-N 3.38Å; V978-N980 VanDerWaalsContact C-N 3.33Å; V978-N980 PolarHBondContact O-N 2.69Å; V978-G981 PolarHBondContact O-N 2.97Å
979	V	98.5	Very high	97.4	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.006	2%	0.017	C	C	.	.	H	α-helix	trans	-60.1	-43.7	179.4	169.6	0	0	0	0	111.2	T652 Q653 Y658 E732 S733 Y867 P975 D976 G981	T652-V979 HydrophobicContact CG2-CB 4.27Å; T652-V979 HydrophobicContact CG2-CG1 3.7Å; T652-V979 HydrophobicContact CG2-CG2 3.49Å; T652-V979 VanDerWaalsContact CG2-CG2 3.49Å; Q653-V979 WeakPolarHBondContact O-CG1 3.5Å; Y658-V979 WeakPolarHBondContact CE2-O 3.47Å; E732-V979 HydrophobicContact CG-CB 4.37Å; E732-V979 HydrophobicContact CG-CG1 4.24Å; E732-V979 HydrophobicContact CG-CG2 4.35Å; S733-V979 PolarHBondContact N-O 3.12Å; Y867-V979 HydrophobicContact CD1-CG2 3.89Å; Y867-V979 HydrophobicContact CG-CG2 4.16Å; P975-V979 WeakPolarHBondContact O-CG2 3.36Å; P975-V979 PolarHBondContact O-N 3.01Å; D976-V979 PolarHBondContact O-N 2.89Å; V979-G981 PolarHBondContact O-N 3.26Å
980	N	98.3	Very high	97.1	Very high	4 Å²	4	4.9 Å²	4.9	2%	0.021	3%	0.025	C	C	.	.	H	α-helix	trans	-87.5	1.1	-173.1	-67.5	-78.4	0	0	0	114.8	V655 P656 I755 D976 V978	V655-N980 WeakPolarHBondContact CB-OD1 2.92Å; V655-N980 PolarHBondContact N-OD1 3.49Å; P656-N980 VanDerWaalsContact CD-OD1 3.32Å; P656-N980 WeakPolarHBondContact CD-OD1 3.43Å; I755-N980 HydrophobicContact CD1-CB 3.67Å; D976-N980 WeakPolarHBondContact O-CB 3.12Å; D976-N980 PolarHBondContact O-N 2.94Å; D976-N980 PolarHBondContact O-ND2 3.38Å; V978-N980 VanDerWaalsContact C-N 3.33Å; V978-N980 PolarHBondContact O-N 2.69Å
981	G	97.8	Very high	96.9	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.01	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	22.9	176.9	0	0	0	0	0	114.9	N735 G977 V978 V979	N735-G981 WeakPolarHBondContact CB-O 3.5Å; N735-G981 PolarHBondContact ND2-O 2.85Å; G977-G981 PolarHBondContact O-N 3.36Å; V978-G981 PolarHBondContact O-N 2.97Å; V979-G981 PolarHBondContact O-N 3.26Å
982	N	98.2	Very high	96.8	Very high	3 Å²	3	5.4 Å²	5.4	2%	0.016	3%	0.028	C	C	.	.			trans	-62.4	164.9	169	-78.5	9.7	0	0	0	110.9	D754 I755 P935 G977 C985	D754-N982 WeakPolarHBondContact CA-OD1 3.34Å; D754-N982 HydrophobicContact CB-CB 4.28Å; D754-N982 WeakPolarHBondContact OD1-CA 3.2Å; D754-N982 WeakPolarHBondContact OD2-CB 3.22Å; I755-N982 PolarHBondContact N-OD1 2.82Å; P935-N982 HydrophobicContact CB-CB 4.09Å; P935-N982 VanDerWaalsContact CB-O 3.31Å; P935-N982 WeakPolarHBondContact CB-O 3.39Å; P935-N982 HydrophobicContact CG-CB 3.93Å; G977-N982 WeakPolarHBondContact O-CB 3.39Å; G977-N982 PolarHBondContact O-N 2.9Å; N982-C985 PolarHBondContact ND2-O 3.5Å
983	H	96.4	Very high	96.7	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.019	3%	0.03	C	C	.	.	S	Bend	trans	-100.1	-42.3	168.1	177.1	59.6	0	0	0	112.7	D754 Y760 Q762 W763 G936	D754-H983 PolarHBondContact OD1-N 3.29Å; D754-H983 PolarHBondContact OD2-N 3.13Å; Y760-H983 WeakPolarHBondContact O-CB 3.28Å; Q762-H983 PolarHBondContact OE1-CE1 3.49Å; Q762-H983 PolarHBondContact OE1-NE2 3.36Å; W763-H983 HydrophobicContact CB-CB 3.91Å; G936-H983 PolarHBondContact N-O 3.36Å
984	R	95.9	Very high	96.5	Very high	29 Å²	29	7.5 Å²	7.5	11%	0.109	4%	0.036	C	C	.	.	S	Bend	trans	-126.5	-49.7	-164.4	-166.5	72.4	-172.9	176.4	0.1	114.6	D754 Y760 H934 P935 E937 D991	D754-R984 WeakPolarHBondContact OD2-CA 3.48Å; D754-R984 PolarHBondContact OD2-N 3.4Å; Y760-R984 HydrophobicContact CD1-CB 3.62Å; Y760-R984 HydrophobicContact CD1-CG 3.82Å; Y760-R984 HydrophobicContact CD2-CB 4.2Å; Y760-R984 HydrophobicContact CE1-CB 4.15Å; Y760-R984 HydrophobicContact CE1-CG 3.87Å; Y760-R984 HydrophobicContact CG-CB 3.65Å; Y760-R984 HydrophobicContact CG-CG 4.3Å; H934-R984 VanDerWaalsContact CD2-CZ 3.47Å; H934-R984 PolarHBondContact CE1-NH1 2.82Å; H934-R984 VanDerWaalsContact CE1-NH1 3.28Å; H934-R984 PolarHBondContact CE1-NH2 3.47Å; H934-R984 VanDerWaalsContact CE1-NH2 3.27Å; H934-R984 PolarHBondContact ND1-NH1 3.38Å; H934-R984 VanDerWaalsContact NE2-CZ 3.26Å; H934-R984 PolarHBondContact NE2-NH2 3.37Å; H934-R984 VanDerWaalsContact NE2-NH2 3.12Å; P935-R984 WeakPolarHBondContact CD-O 3.25Å; E937-R984 IonicContact OE1-NH1 3.5Å; E937-R984 PolarHBondContact OE1-NH1 3.29Å; R984-D991 HydrophobicContact CG-CB 4.49Å; R984-D991 IonicContact CZ-OD2 2.69Å; R984-D991 VanDerWaalsContact CZ-OD2 3.28Å; R984-D991 IonicContact NE-OD2 2.65Å; R984-D991 PolarHBondContact NE-OD2 3.31Å; R984-D991 IonicContact NH2-OD2 3.88Å; R984-D991 PolarHBondContact NH2-OD2 3.15Å
985	C	95.9	Very high	96.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.			trans	-96	165.6	-164.3	-67.6	0	0	0	0	113.5	D754 Y760 N974 N982 G989 E990	D754-C985 HydrophobicContact CB-CB 4.42Å; D754-C985 PolarHBondContact OD2-N 3.46Å; Y760-C985 WeakPolarHBondContact CE2-SG 3.45Å; N974-C985 PolarHBondContact ND2-O 3.48Å; N974-C985 VanDerWaalsContact ND2-O 3.08Å; N982-C985 PolarHBondContact ND2-O 3.5Å; C985-G989 PolarHBondContact SG-O 2.83Å; C985-E990 WeakPolarHBondContact CA-O 3.45Å; C985-E990 WeakPolarHBondContact CB-O 3.47Å
986	S	95.8	Very high	96.2	Very high	6 Å²	6	8.8 Å²	8.8	4%	0.042	4%	0.042	C	C	.	.			trans	-84.3	-177.2	161.7	85.8	0	0	0	0	110.8	N974 S988 G989 E990	N974-S986 PolarHBondContact ND2-N 2.84Å; S986-S988 PolarHBondContact O-N 3.31Å; S986-S988 VanDerWaalsContact O-N 3.13Å; S986-S988 WeakPolarHBondContact OG-CB 3.34Å; S986-S988 PolarHBondContact OG-N 3.42Å; S986-S988 VanDerWaalsContact OG-N 3.13Å; S986-S988 PolarHBondContact OG-OG 3.43Å; S986-G989 PolarHBondContact O-N 2.84Å; S986-E990 PolarHBondContact N-O 3.23Å
987	L	96.3	Very high	95.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.6	173.1	-55	-179	0	0	0	113.5	F344 L346 V655 I755 N756 L896 D976 G989	F344-L987 HydrophobicContact CB-CB 4.35Å; F344-L987 HydrophobicContact CD1-CB 3.7Å; F344-L987 HydrophobicContact CD1-CD1 4.15Å; F344-L987 HydrophobicContact CD2-CD1 3.9Å; F344-L987 HydrophobicContact CE1-CB 4.23Å; F344-L987 HydrophobicContact CE1-CD1 4.35Å; F344-L987 HydrophobicContact CE2-CD1 4.1Å; F344-L987 HydrophobicContact CG-CB 4.04Å; F344-L987 HydrophobicContact CG-CD1 3.93Å; F344-L987 HydrophobicContact CG-CG 4.47Å; F344-L987 HydrophobicContact CZ-CD1 4.33Å; L346-L987 WeakPolarHBondContact CD2-O 3.23Å; V655-L987 HydrophobicContact CG2-CD1 3.9Å; V655-L987 HydrophobicContact CG2-CD2 3.9Å; I755-L987 HydrophobicContact CB-CD2 3.94Å; I755-L987 HydrophobicContact CD1-CD2 4.01Å; I755-L987 HydrophobicContact CG1-CD2 4.45Å; I755-L987 HydrophobicContact CG2-CD2 3.92Å; N756-L987 PolarHBondContact ND2-O 3Å; L896-L987 HydrophobicContact CB-CB 4.25Å; L896-L987 HydrophobicContact CB-CD1 4.28Å; L896-L987 HydrophobicContact CD1-CB 3.91Å; D976-L987 HydrophobicContact CB-CD1 3.83Å; D976-L987 HydrophobicContact CB-CD2 4.45Å; D976-L987 HydrophobicContact CB-CG 3.78Å; D976-L987 WeakPolarHBondContact OD2-CD1 3.35Å; L987-G989 PolarHBondContact O-N 3.15Å
988	S	94.1	Very high	95.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.8	168.1	65.8	0	0	0	0	113.8	V355 S986 E990 H1004	V355-S988 WeakPolarHBondContact CG2-O 3.29Å; S986-S988 PolarHBondContact O-N 3.31Å; S986-S988 VanDerWaalsContact O-N 3.13Å; S986-S988 WeakPolarHBondContact OG-CB 3.34Å; S986-S988 PolarHBondContact OG-N 3.42Å; S986-S988 VanDerWaalsContact OG-N 3.13Å; S986-S988 PolarHBondContact OG-OG 3.43Å; S988-E990 PolarHBondContact O-N 3Å; S988-E990 PolarHBondContact OG-N 3.43Å; S988-H1004 VanDerWaalsContact CB-NE2 3.34Å; S988-H1004 WeakPolarHBondContact CB-NE2 3.36Å; S988-H1004 PolarHBondContact OG-NE2 2.89Å; S988-H1004 VanDerWaalsContact OG-NE2 3.1Å
989	G	91.8	Very high	95.4	Very high	6 Å²	6	18.4 Å²	18.4	6%	0.062	9%	0.092	C	C	.	.	S	Bend	trans	77.5	-3.5	-171.1	0	0	0	0	0	113.9	C985 S986 L987	C985-G989 PolarHBondContact SG-O 2.83Å; S986-G989 PolarHBondContact O-N 2.84Å; L987-G989 PolarHBondContact O-N 3.15Å
990	E	92.1	Very high	95.2	Very high	35 Å²	35	20.6 Å²	20.6	16%	0.164	10%	0.104	C	C	.	.	S	Bend	trans	-105.7	149.3	-172.8	-59.5	177.2	89	0	0	113.5	P354 C985 S986 S988 L992 Q995 H1004	P354-E990 HydrophobicContact CG-CG 4.34Å; C985-E990 WeakPolarHBondContact CA-O 3.45Å; C985-E990 WeakPolarHBondContact CB-O 3.47Å; S986-E990 PolarHBondContact N-O 3.23Å; S988-E990 PolarHBondContact O-N 3Å; S988-E990 PolarHBondContact OG-N 3.43Å; E990-L992 PolarHBondContact O-N 2.92Å; E990-Q995 VanDerWaalsContact CD-NE2 3.34Å; E990-Q995 PolarHBondContact OE1-NE2 2.95Å; E990-H1004 WeakPolarHBondContact CB-NE2 3.47Å; E990-H1004 VanDerWaalsContact CD-CE1 3.49Å; E990-H1004 IonicContact OE1-CE1 2.82Å; E990-H1004 PolarHBondContact OE1-CE1 3.13Å; E990-H1004 IonicContact OE1-NE2 3.69Å; E990-H1004 IonicContact OE2-CE1 3.69Å; E990-H1004 PolarHBondContact OE2-CE1 3.02Å; E990-H1004 IonicContact OE2-NE2 3.05Å; E990-H1004 PolarHBondContact OE2-NE2 2.88Å
991	D	94.6	Very high	95	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.053	12%	0.12	C	C	.	.			trans	-70	106.1	168.9	179.1	-25.4	0	0	0	108.9	H934 R984 N993 R994	H934-D991 IonicContact CD2-OD1 3.86Å; H934-D991 IonicContact NE2-OD1 2.69Å; H934-D991 PolarHBondContact NE2-OD1 3.49Å; H934-D991 IonicContact NE2-OD2 3.62Å; R984-D991 HydrophobicContact CG-CB 4.49Å; R984-D991 IonicContact CZ-OD2 2.69Å; R984-D991 VanDerWaalsContact CZ-OD2 3.28Å; R984-D991 IonicContact NE-OD2 2.65Å; R984-D991 PolarHBondContact NE-OD2 3.31Å; R984-D991 IonicContact NH2-OD2 3.88Å; R984-D991 PolarHBondContact NH2-OD2 3.15Å; D991-N993 PolarHBondContact O-N 3.28Å; D991-N993 VanDerWaalsContact O-N 3.09Å; D991-N993 VanDerWaalsContact OD1-CA 3.29Å; D991-N993 WeakPolarHBondContact OD1-CA 3.28Å; D991-N993 VanDerWaalsContact OD1-CB 3.32Å; D991-N993 WeakPolarHBondContact OD1-CB 3.42Å; D991-N993 PolarHBondContact OD1-N 3.38Å; D991-R994 HydrophobicContact CB-CG 4.21Å; D991-R994 VanDerWaalsContact CG-NH1 3.27Å; D991-R994 PolarHBondContact O-N 3.33Å; D991-R994 IonicContact OD1-NH1 2.63Å; D991-R994 PolarHBondContact OD1-NH1 3.01Å; D991-R994 IonicContact OD2-CZ 3.8Å; D991-R994 VanDerWaalsContact OD2-CZ 3.28Å; D991-R994 IonicContact OD2-NH1 3.39Å; D991-R994 PolarHBondContact OD2-NH1 2.81Å; D991-R994 IonicContact OD2-NH2 2.66Å; D991-R994 PolarHBondContact OD2-NH2 3.08Å
992	L	96.9	Very high	94.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58.9	-21.6	-179.8	-71	-175.4	0	0	0	113.7	V933 N974 E990 R994 Q995 H1004 I1007	V933-L992 HydrophobicContact CG2-CB 3.5Å; V933-L992 VanDerWaalsContact CG2-CB 3.5Å; V933-L992 HydrophobicContact CG2-CD1 4.45Å; N974-L992 HydrophobicContact CB-CD1 4.01Å; E990-L992 PolarHBondContact O-N 2.92Å; L992-R994 VanDerWaalsContact C-N 3.26Å; L992-R994 PolarHBondContact O-N 3.22Å; L992-Q995 PolarHBondContact O-N 3.24Å; L992-H1004 HydrophobicContact CD2-CB 4.19Å; L992-I1007 HydrophobicContact CB-CD1 4.06Å; L992-I1007 HydrophobicContact CB-CG1 3.87Å; L992-I1007 HydrophobicContact CD1-CD1 4.44Å; L992-I1007 HydrophobicContact CD1-CG1 4.31Å; L992-I1007 HydrophobicContact CD2-CG1 4.08Å; L992-I1007 HydrophobicContact CG-CG1 4.31Å
993	N	97.1	Very high	94.7	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.043	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-86.9	14.5	172.8	-163.9	29.6	0	0	0	113	V933 H934 D991 H1031 T1098 A1099	V933-N993 HydrophobicContact CG1-CB 4.13Å; V933-N993 HydrophobicContact CG2-CB 4.29Å; H934-N993 WeakPolarHBondContact NE2-CB 3.34Å; D991-N993 PolarHBondContact O-N 3.28Å; D991-N993 VanDerWaalsContact O-N 3.09Å; D991-N993 VanDerWaalsContact OD1-CA 3.29Å; D991-N993 WeakPolarHBondContact OD1-CA 3.28Å; D991-N993 VanDerWaalsContact OD1-CB 3.32Å; D991-N993 WeakPolarHBondContact OD1-CB 3.42Å; D991-N993 PolarHBondContact OD1-N 3.38Å; N993-H1031 PolarHBondContact ND2-CE1 3.34Å; N993-H1031 VanDerWaalsContact ND2-CE1 3.27Å; N993-T1098 WeakPolarHBondContact O-CA 3.32Å; N993-T1098 WeakPolarHBondContact O-CG2 3.48Å; N993-T1098 WeakPolarHBondContact OD1-CA 3.49Å; N993-T1098 WeakPolarHBondContact OD1-CB 3.4Å; N993-A1099 PolarHBondContact OD1-N 2.97Å
994	R	94.6	Very high	94.8	Very high	37 Å²	37	28.6 Å²	28.6	14%	0.14	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-104.7	-10.7	154.1	-58.2	-57	176	-63.2	-22.8	113.1	D389 D991 L992 S1097	D389-R994 VanDerWaalsContact CG-NE 3.29Å; D389-R994 IonicContact OD1-CZ 2.77Å; D389-R994 IonicContact OD1-NE 3.84Å; D389-R994 PolarHBondContact OD1-NE 3.47Å; D389-R994 IonicContact OD1-NH2 3.55Å; D389-R994 PolarHBondContact OD1-NH2 3.25Å; D389-R994 IonicContact OD2-CZ 3.41Å; D389-R994 IonicContact OD2-NE 2.92Å; D389-R994 PolarHBondContact OD2-NE 3.13Å; D389-R994 IonicContact OD2-NH2 1.93Å; D389-R994 PolarHBondContact OD2-NH2 3.34Å; D991-R994 HydrophobicContact CB-CG 4.21Å; D991-R994 VanDerWaalsContact CG-NH1 3.27Å; D991-R994 PolarHBondContact O-N 3.33Å; D991-R994 IonicContact OD1-NH1 2.63Å; D991-R994 PolarHBondContact OD1-NH1 3.01Å; D991-R994 IonicContact OD2-CZ 3.8Å; D991-R994 VanDerWaalsContact OD2-CZ 3.28Å; D991-R994 IonicContact OD2-NH1 3.39Å; D991-R994 PolarHBondContact OD2-NH1 2.81Å; D991-R994 IonicContact OD2-NH2 2.66Å; D991-R994 PolarHBondContact OD2-NH2 3.08Å; L992-R994 VanDerWaalsContact C-N 3.26Å; L992-R994 PolarHBondContact O-N 3.22Å; R994-S1097 CarbonylContact C-O 3.56Å; R994-S1097 WeakPolarHBondContact CA-OG 3.43Å; R994-S1097 WeakPolarHBondContact O-CB 3.47Å; R994-S1097 PolarHBondContact O-OG 2.98Å
995	Q	95.6	Very high	94.9	Very high	30 Å²	30	27.8 Å²	27.8	14%	0.14	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	0.2	-170.6	-56	-59.2	-19.4	0	0	114	E990 L992 Q997 P999 H1004	E990-Q995 VanDerWaalsContact CD-NE2 3.34Å; E990-Q995 PolarHBondContact OE1-NE2 2.95Å; L992-Q995 PolarHBondContact O-N 3.24Å; Q995-Q997 VanDerWaalsContact C-N 3.26Å; Q995-Q997 PolarHBondContact O-N 3.47Å; Q995-P999 VanDerWaalsContact O-CA 3.29Å; Q995-P999 WeakPolarHBondContact O-CA 3.46Å; Q995-P999 VanDerWaalsContact O-CB 3.26Å; Q995-P999 WeakPolarHBondContact O-CB 3.43Å; Q995-P999 WeakPolarHBondContact O-CD 3.48Å; Q995-H1004 HydrophobicContact CB-CB 4.41Å; Q995-H1004 PolarHBondContact OE1-CE1 3.49Å
996	W	95.9	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.6	-174.8	-74.9	71.8	0	0	0	113.7	L973 I1007 T1010 K1011 L1014 F1027 S1097 A1099 V1102 V1103	L973-W996 HydrophobicContact CD1-CZ2 3.98Å; W996-I1007 HydrophobicContact CB-CG2 4.34Å; W996-I1007 HydrophobicContact CD2-CG2 3.8Å; W996-I1007 HydrophobicContact CE3-CG2 4.48Å; W996-I1007 HydrophobicContact CG-CG2 3.7Å; W996-I1007 HydrophobicContact CZ2-CD1 4.26Å; W996-T1010 HydrophobicContact CH2-CG2 3.57Å; W996-T1010 HydrophobicContact CZ2-CG2 4.42Å; W996-T1010 HydrophobicContact CZ3-CG2 4.15Å; W996-K1011 VanDerWaalsContact O-CD 3.22Å; W996-K1011 WeakPolarHBondContact O-CD 3.43Å; W996-K1011 WeakPolarHBondContact O-CE 3.22Å; W996-K1011 PolarHBondContact O-NZ 3.29Å; W996-L1014 HydrophobicContact CZ3-CD1 4.03Å; W996-F1027 HydrophobicContact CH2-CE2 4.2Å; W996-F1027 AromaticContact CH2-CZ 3.95Å; W996-F1027 HydrophobicContact CH2-CZ 3.95Å; W996-F1027 HydrophobicContact CZ3-CZ 4.46Å; W996-S1097 WeakPolarHBondContact CB-O 3.26Å; W996-S1097 PolarHBondContact N-O 3.08Å; W996-A1099 HydrophobicContact CD2-CB 3.76Å; W996-A1099 HydrophobicContact CE3-CB 4.27Å; W996-A1099 HydrophobicContact CG-CB 4.18Å; W996-A1099 HydrophobicContact CH2-CB 4.12Å; W996-A1099 HydrophobicContact CZ2-CB 3.61Å; W996-A1099 HydrophobicContact CZ3-CB 4.44Å; W996-V1102 HydrophobicContact CB-CB 4Å; W996-V1102 HydrophobicContact CB-CG1 4.19Å; W996-V1102 HydrophobicContact CB-CG2 3.8Å; W996-V1102 WeakPolarHBondContact O-CG1 3.31Å; W996-V1103 HydrophobicContact CE3-CG2 4.04Å; W996-V1103 HydrophobicContact CZ3-CG2 3.75Å
997	Q	91.5	Very high	95.1	Very high	62 Å²	62	27.8 Å²	27.8	29%	0.29	14%	0.144	S	C	.	.	S	Bend	trans	-69.8	-55.9	179.5	-167.8	167	4.1	0	0	110.8	Q995 K1011 V1102	Q995-Q997 VanDerWaalsContact C-N 3.26Å; Q995-Q997 PolarHBondContact O-N 3.47Å; Q997-K1011 PolarHBondContact O-NZ 3.05Å; Q997-V1102 HydrophobicContact CB-CG2 4.39Å
998	N	91.6	Very high	95.2	Very high	134 Å²	134	30 Å²	30	72%	0.717	15%	0.152	S	C	*	.	S	Bend	trans	-130.7	64.7	-177.9	-59	-50.3	0	0	0	111.4
999	P	95.2	Very high	95.4	Very high	13 Å²	13	32 Å²	32	8%	0.084	16%	0.162	C	C	.	.			trans	-68.7	138.3	-178	27.3	-32.4	0	0	0	110.8	Q995 H1004 I1007 Y1008 K1011	Q995-P999 VanDerWaalsContact O-CA 3.29Å; Q995-P999 WeakPolarHBondContact O-CA 3.46Å; Q995-P999 VanDerWaalsContact O-CB 3.26Å; Q995-P999 WeakPolarHBondContact O-CB 3.43Å; Q995-P999 WeakPolarHBondContact O-CD 3.48Å; P999-H1004 HydrophobicContact CB-CB 4.24Å; P999-I1007 HydrophobicContact CB-CB 4.25Å; P999-I1007 HydrophobicContact CB-CG2 3.98Å; P999-I1007 HydrophobicContact CG-CG2 4.38Å; P999-Y1008 WeakPolarHBondContact O-CD2 3.29Å; P999-K1011 HydrophobicContact CG-CD 4.15Å
1000	D	94.5	Very high	95.7	Very high	46 Å²	46	31.7 Å²	31.7	25%	0.246	16%	0.159	C	C	.	.			trans	-84	140.1	172	-179.5	-89.2	0	0	0	110.9	Q348 E1002 L1003 H1004	Q348-D1000 VanDerWaalsContact NE2-CG 3.33Å; Q348-D1000 PolarHBondContact NE2-OD1 3.29Å; Q348-D1000 VanDerWaalsContact NE2-OD1 3.09Å; Q348-D1000 PolarHBondContact NE2-OD2 3.11Å; D1000-E1002 PolarHBondContact O-N 3.46Å; D1000-E1002 WeakPolarHBondContact OD1-CA 3.37Å; D1000-E1002 PolarHBondContact OD1-N 3.47Å; D1000-L1003 HydrophobicContact CB-CB 4.19Å; D1000-L1003 PolarHBondContact OD1-N 3.08Å; D1000-H1004 CarbonylContact O-C 3.28Å; D1000-H1004 VanDerWaalsContact O-C 3.32Å; D1000-H1004 WeakPolarHBondContact O-CA 3.19Å; D1000-H1004 WeakPolarHBondContact O-CB 3.16Å; D1000-H1004 PolarHBondContact O-N 3.02Å
1001	P	94.3	Very high	96	Very high	57 Å²	57	30.4 Å²	30.4	37%	0.37	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27	-178.2	25.8	-33.2	0	0	0	114.5	P1005 Y1008	P1001-P1005 WeakPolarHBondContact O-CB 3.49Å; P1001-Y1008 HydrophobicContact CB-CD1 4.19Å; P1001-Y1008 HydrophobicContact CB-CD2 3.71Å; P1001-Y1008 HydrophobicContact CB-CE1 4.11Å; P1001-Y1008 HydrophobicContact CB-CE2 3.61Å; P1001-Y1008 HydrophobicContact CB-CG 4.02Å; P1001-Y1008 HydrophobicContact CG-CD2 4.29Å; P1001-Y1008 HydrophobicContact CG-CE2 3.95Å
1002	E	94.3	Very high	96.1	Very high	107 Å²	107	29.9 Å²	29.9	50%	0.5	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-40.4	-177.1	-60.8	-171.8	176.7	0	0	111.4	L896 D1000	L896-E1002 WeakPolarHBondContact CD2-O 3.49Å; D1000-E1002 PolarHBondContact O-N 3.46Å; D1000-E1002 WeakPolarHBondContact OD1-CA 3.37Å; D1000-E1002 PolarHBondContact OD1-N 3.47Å
1003	L	95.2	Very high	96.1	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-33.8	-178.6	-60.7	176.9	0	0	0	113.4	L346 Q348 P350 D1000 P1005	L346-L1003 HydrophobicContact CB-CD2 4.27Å; L346-L1003 HydrophobicContact CD1-CD2 4.2Å; L346-L1003 HydrophobicContact CD2-CD2 4.19Å; L346-L1003 HydrophobicContact CG-CD2 4.46Å; Q348-L1003 HydrophobicContact CG-CD1 4.36Å; Q348-L1003 HydrophobicContact CG-CD2 4.33Å; Q348-L1003 HydrophobicContact CG-CG 4.25Å; P350-L1003 HydrophobicContact CG-CD1 3.44Å; P350-L1003 VanDerWaalsContact CG-CD1 3.44Å; D1000-L1003 HydrophobicContact CB-CB 4.19Å; D1000-L1003 PolarHBondContact OD1-N 3.08Å; L1003-P1005 WeakPolarHBondContact O-CD 3.35Å
1004	H	96.8	Very high	96.1	Very high	13 Å²	13	29.4 Å²	29.4	6%	0.06	15%	0.147	C	C	.	.	S	Bend	trans	-124.2	44.7	-175.9	-47.5	132.7	0	0	0	113	S988 E990 L992 Q995 P999 D1000 T1006 I1007 Y1008	S988-H1004 VanDerWaalsContact CB-NE2 3.34Å; S988-H1004 WeakPolarHBondContact CB-NE2 3.36Å; S988-H1004 PolarHBondContact OG-NE2 2.89Å; S988-H1004 VanDerWaalsContact OG-NE2 3.1Å; E990-H1004 WeakPolarHBondContact CB-NE2 3.47Å; E990-H1004 VanDerWaalsContact CD-CE1 3.49Å; E990-H1004 IonicContact OE1-CE1 2.82Å; E990-H1004 PolarHBondContact OE1-CE1 3.13Å; E990-H1004 IonicContact OE1-NE2 3.69Å; E990-H1004 IonicContact OE2-CE1 3.69Å; E990-H1004 PolarHBondContact OE2-CE1 3.02Å; E990-H1004 IonicContact OE2-NE2 3.05Å; E990-H1004 PolarHBondContact OE2-NE2 2.88Å; L992-H1004 HydrophobicContact CD2-CB 4.19Å; Q995-H1004 HydrophobicContact CB-CB 4.41Å; Q995-H1004 PolarHBondContact OE1-CE1 3.49Å; P999-H1004 HydrophobicContact CB-CB 4.24Å; D1000-H1004 CarbonylContact O-C 3.28Å; D1000-H1004 VanDerWaalsContact O-C 3.32Å; D1000-H1004 WeakPolarHBondContact O-CA 3.19Å; D1000-H1004 WeakPolarHBondContact O-CB 3.16Å; D1000-H1004 PolarHBondContact O-N 3.02Å; H1004-T1006 VanDerWaalsContact C-N 3.33Å; H1004-T1006 PolarHBondContact O-N 3.3Å; H1004-I1007 HydrophobicContact CB-CB 4.44Å; H1004-I1007 PolarHBondContact O-N 2.99Å; H1004-Y1008 WeakPolarHBondContact O-CB 3.43Å; H1004-Y1008 PolarHBondContact O-N 3.22Å
1005	P	97.9	Very high	96.2	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.071	14%	0.141	C	C	.	.	H	α-helix	trans	-56	-42.7	-169.4	21	-33.3	0	0	0	113.1	E894 P1001 L1003 I1007 Y1008 H1009	E894-P1005 WeakPolarHBondContact O-CG 3.41Å; P1001-P1005 WeakPolarHBondContact O-CB 3.49Å; L1003-P1005 WeakPolarHBondContact O-CD 3.35Å; P1005-I1007 VanDerWaalsContact C-N 3.29Å; P1005-I1007 PolarHBondContact O-N 3.3Å; P1005-Y1008 PolarHBondContact O-N 3.26Å; P1005-H1009 WeakPolarHBondContact O-CB 3.26Å; P1005-H1009 PolarHBondContact O-CD2 3.08Å; P1005-H1009 PolarHBondContact O-N 3.11Å
1006	T	98.6	Very high	96.3	Very high	6 Å²	6	27 Å²	27	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-36.9	-179.1	62	0	0	0	0	112.4	T895 C901 L973 H1004 T1010	T895-T1006 HydrophobicContact CG2-CG2 3.81Å; C901-T1006 HydrophobicContact CB-CG2 3.92Å; L973-T1006 WeakPolarHBondContact O-CB 3.48Å; L973-T1006 WeakPolarHBondContact O-CG2 3.21Å; L973-T1006 PolarHBondContact O-OG1 3.35Å; H1004-T1006 VanDerWaalsContact C-N 3.33Å; H1004-T1006 PolarHBondContact O-N 3.3Å; T1006-T1010 WeakPolarHBondContact O-CB 3.4Å; T1006-T1010 PolarHBondContact O-N 2.92Å; T1006-T1010 VanDerWaalsContact O-N 3.12Å; T1006-T1010 PolarHBondContact O-OG1 2.96Å
1007	I	98.6	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-77.4	-44.9	176.5	-52.7	-50.2	0	0	0	110.6	V933 L973 L992 W996 P999 H1004 P1005 H1009 T1010 K1011	V933-I1007 HydrophobicContact CG2-CD1 4.17Å; L973-I1007 HydrophobicContact CD1-CD1 4.37Å; L973-I1007 HydrophobicContact CD2-CD1 4.2Å; L992-I1007 HydrophobicContact CB-CD1 4.06Å; L992-I1007 HydrophobicContact CB-CG1 3.87Å; L992-I1007 HydrophobicContact CD1-CD1 4.44Å; L992-I1007 HydrophobicContact CD1-CG1 4.31Å; L992-I1007 HydrophobicContact CD2-CG1 4.08Å; L992-I1007 HydrophobicContact CG-CG1 4.31Å; W996-I1007 HydrophobicContact CB-CG2 4.34Å; W996-I1007 HydrophobicContact CD2-CG2 3.8Å; W996-I1007 HydrophobicContact CE3-CG2 4.48Å; W996-I1007 HydrophobicContact CG-CG2 3.7Å; W996-I1007 HydrophobicContact CZ2-CD1 4.26Å; P999-I1007 HydrophobicContact CB-CB 4.25Å; P999-I1007 HydrophobicContact CB-CG2 3.98Å; P999-I1007 HydrophobicContact CG-CG2 4.38Å; H1004-I1007 HydrophobicContact CB-CB 4.44Å; H1004-I1007 PolarHBondContact O-N 2.99Å; P1005-I1007 VanDerWaalsContact C-N 3.29Å; P1005-I1007 PolarHBondContact O-N 3.3Å; I1007-H1009 PolarHBondContact O-N 3.36Å; I1007-T1010 PolarHBondContact O-N 2.93Å; I1007-K1011 WeakPolarHBondContact O-CB 3.36Å; I1007-K1011 PolarHBondContact O-N 3.07Å
1008	Y	97.9	Very high	96.4	Very high	46 Å²	46	25 Å²	25	18%	0.18	13%	0.131	C	C	.	.	H	α-helix	trans	-53.4	-54.1	176.3	-177.9	-81.1	0	0	0	111.2	R414 P999 P1001 H1004 P1005 S1012	R414-Y1008 VanDerWaalsContact CZ-CE2 3.47Å; R414-Y1008 VanDerWaalsContact CZ-CZ 3.44Å; R414-Y1008 PolarHBondContact NH1-OH 2.94Å; P999-Y1008 WeakPolarHBondContact O-CD2 3.29Å; P1001-Y1008 HydrophobicContact CB-CD1 4.19Å; P1001-Y1008 HydrophobicContact CB-CD2 3.71Å; P1001-Y1008 HydrophobicContact CB-CE1 4.11Å; P1001-Y1008 HydrophobicContact CB-CE2 3.61Å; P1001-Y1008 HydrophobicContact CB-CG 4.02Å; P1001-Y1008 HydrophobicContact CG-CD2 4.29Å; P1001-Y1008 HydrophobicContact CG-CE2 3.95Å; H1004-Y1008 WeakPolarHBondContact O-CB 3.43Å; H1004-Y1008 PolarHBondContact O-N 3.22Å; P1005-Y1008 PolarHBondContact O-N 3.26Å; Y1008-S1012 WeakPolarHBondContact O-CB 3.36Å; Y1008-S1012 PolarHBondContact O-N 3.41Å; Y1008-S1012 PolarHBondContact O-OG 3.33Å
1009	H	98.3	Very high	96.4	Very high	44 Å²	44	23.9 Å²	23.9	20%	0.204	12%	0.118	C	C	.	.	H	α-helix	trans	-73.5	-32.8	-177.3	-66.6	-67.8	0	0	0	112.4	Y422 L892 C893 P1005 I1007 S1012 L1013	Y422-H1009 HydrophobicContact CE1-CB 4.27Å; Y422-H1009 AromaticContact CE1-ND1 3.69Å; Y422-H1009 AromaticContact CZ-ND1 3.65Å; Y422-H1009 PolarHBondContact OH-CE1 3.22Å; Y422-H1009 PolarHBondContact OH-ND1 3.38Å; L892-H1009 HydrophobicContact CD1-CB 3.65Å; L892-H1009 HydrophobicContact CD2-CB 4.2Å; L892-H1009 HydrophobicContact CG-CB 3.71Å; C893-H1009 HydrophobicContact CB-CB 4.35Å; C893-H1009 WeakPolarHBondContact CB-CD2 3.32Å; P1005-H1009 WeakPolarHBondContact O-CB 3.26Å; P1005-H1009 PolarHBondContact O-CD2 3.08Å; P1005-H1009 PolarHBondContact O-N 3.11Å; I1007-H1009 PolarHBondContact O-N 3.36Å; H1009-S1012 WeakPolarHBondContact O-CB 3.39Å; H1009-S1012 PolarHBondContact O-N 2.9Å; H1009-L1013 PolarHBondContact O-N 3.33Å
1010	T	98.6	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.9	-44.9	173.3	-61.8	0	0	0	0	111.8	L892 F928 L973 W996 T1006 I1007 S1012 L1013 L1014	L892-T1010 WeakPolarHBondContact CD2-OG1 3.37Å; F928-T1010 HydrophobicContact CE1-CG2 3.81Å; F928-T1010 HydrophobicContact CZ-CG2 3.88Å; L973-T1010 HydrophobicContact CD2-CG2 4.39Å; L973-T1010 WeakPolarHBondContact CD2-OG1 3.5Å; W996-T1010 HydrophobicContact CH2-CG2 3.57Å; W996-T1010 HydrophobicContact CZ2-CG2 4.42Å; W996-T1010 HydrophobicContact CZ3-CG2 4.15Å; T1006-T1010 WeakPolarHBondContact O-CB 3.4Å; T1006-T1010 PolarHBondContact O-N 2.92Å; T1006-T1010 VanDerWaalsContact O-N 3.12Å; T1006-T1010 PolarHBondContact O-OG1 2.96Å; I1007-T1010 PolarHBondContact O-N 2.93Å; T1010-S1012 VanDerWaalsContact C-N 3.26Å; T1010-S1012 PolarHBondContact O-N 3.17Å; T1010-L1013 PolarHBondContact O-N 3.03Å; T1010-L1014 PolarHBondContact O-N 3.02Å
1011	K	97.8	Very high	96.3	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-39	172.5	-177	169.2	-176.2	167.4	0	111.3	W996 Q997 P999 I1007 L1014 Q1015 V1102 E1106	W996-K1011 VanDerWaalsContact O-CD 3.22Å; W996-K1011 WeakPolarHBondContact O-CD 3.43Å; W996-K1011 WeakPolarHBondContact O-CE 3.22Å; W996-K1011 PolarHBondContact O-NZ 3.29Å; Q997-K1011 PolarHBondContact O-NZ 3.05Å; P999-K1011 HydrophobicContact CG-CD 4.15Å; I1007-K1011 WeakPolarHBondContact O-CB 3.36Å; I1007-K1011 PolarHBondContact O-N 3.07Å; K1011-L1014 WeakPolarHBondContact O-CB 3.35Å; K1011-L1014 PolarHBondContact O-N 3.19Å; K1011-Q1015 HydrophobicContact CG-CG 4.24Å; K1011-Q1015 WeakPolarHBondContact O-CB 3.33Å; K1011-Q1015 VanDerWaalsContact O-CG 3.32Å; K1011-Q1015 WeakPolarHBondContact O-CG 3.42Å; K1011-Q1015 PolarHBondContact O-N 3.43Å; K1011-V1102 HydrophobicContact CD-CG1 4.31Å; K1011-E1106 VanDerWaalsContact CE-OE2 3.24Å; K1011-E1106 WeakPolarHBondContact CE-OE2 3.43Å; K1011-E1106 IonicContact NZ-OE1 2.7Å; K1011-E1106 IonicContact NZ-OE2 3.54Å; K1011-E1106 PolarHBondContact NZ-OE2 3.17Å
1012	S	97.3	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-42	178.1	-52.6	0	0	0	0	113.4	R414 Y422 Y1008 H1009 T1010 L1014 Q1015 Y1016	R414-S1012 PolarHBondContact NH1-OG 3.45Å; Y422-S1012 WeakPolarHBondContact OH-CB 3.3Å; Y422-S1012 PolarHBondContact OH-OG 3.39Å; Y1008-S1012 WeakPolarHBondContact O-CB 3.36Å; Y1008-S1012 PolarHBondContact O-N 3.41Å; Y1008-S1012 PolarHBondContact O-OG 3.33Å; H1009-S1012 WeakPolarHBondContact O-CB 3.39Å; H1009-S1012 PolarHBondContact O-N 2.9Å; T1010-S1012 VanDerWaalsContact C-N 3.26Å; T1010-S1012 PolarHBondContact O-N 3.17Å; S1012-L1014 VanDerWaalsContact C-N 3.28Å; S1012-L1014 PolarHBondContact O-N 3.32Å; S1012-Q1015 PolarHBondContact O-N 3.27Å; S1012-Y1016 WeakPolarHBondContact O-CB 3.31Å; S1012-Y1016 PolarHBondContact O-N 3.17Å
1013	L	97.3	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58	-42.6	173.5	-71	172.7	0	0	0	111.7	Y422 F425 F426 L892 L903 F928 H1009 T1010 L1017	Y422-L1013 HydrophobicContact CD1-CD2 4.05Å; Y422-L1013 HydrophobicContact CD1-CG 4.34Å; F425-L1013 HydrophobicContact CB-CD2 3.71Å; F425-L1013 HydrophobicContact CD2-CD2 3.59Å; F425-L1013 HydrophobicContact CE2-CD2 4.45Å; F425-L1013 HydrophobicContact CG-CD2 3.9Å; F426-L1013 HydrophobicContact CE2-CD2 3.69Å; F426-L1013 HydrophobicContact CZ-CB 4.2Å; F426-L1013 HydrophobicContact CZ-CD2 3.7Å; L892-L1013 HydrophobicContact CD1-CD1 3.69Å; L892-L1013 HydrophobicContact CD1-CD2 4.42Å; L892-L1013 HydrophobicContact CD1-CG 3.99Å; L892-L1013 HydrophobicContact CD2-CD1 4.25Å; L903-L1013 HydrophobicContact CD1-CD1 3.58Å; L903-L1013 HydrophobicContact CD2-CD1 3.76Å; L903-L1013 HydrophobicContact CD2-CD2 4.27Å; L903-L1013 HydrophobicContact CG-CD1 4.34Å; F928-L1013 HydrophobicContact CE2-CB 4.17Å; F928-L1013 HydrophobicContact CE2-CD1 4.14Å; F928-L1013 HydrophobicContact CZ-CD1 4.09Å; H1009-L1013 PolarHBondContact O-N 3.33Å; T1010-L1013 PolarHBondContact O-N 3.03Å; L1013-L1017 WeakPolarHBondContact O-CB 3.37Å; L1013-L1017 WeakPolarHBondContact O-CG 3.5Å; L1013-L1017 PolarHBondContact O-N 3.28Å
1014	L	97.5	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.9	-40.1	-179.9	-70.4	166.7	0	0	0	111.8	F928 W996 T1010 K1011 S1012 L1017 A1018 P1024 F1027 V1103 I1107	F928-L1014 HydrophobicContact CB-CD2 4.06Å; F928-L1014 HydrophobicContact CD1-CD2 4.26Å; F928-L1014 HydrophobicContact CD2-CD2 3.59Å; F928-L1014 HydrophobicContact CD2-CG 4.22Å; F928-L1014 HydrophobicContact CE2-CD2 4.08Å; F928-L1014 HydrophobicContact CE2-CG 4.19Å; F928-L1014 HydrophobicContact CG-CD2 3.7Å; F928-L1014 HydrophobicContact CG-CG 4.46Å; F928-L1014 HydrophobicContact CZ-CG 4.43Å; W996-L1014 HydrophobicContact CZ3-CD1 4.03Å; T1010-L1014 PolarHBondContact O-N 3.02Å; K1011-L1014 WeakPolarHBondContact O-CB 3.35Å; K1011-L1014 PolarHBondContact O-N 3.19Å; S1012-L1014 VanDerWaalsContact C-N 3.28Å; S1012-L1014 PolarHBondContact O-N 3.32Å; L1014-L1017 PolarHBondContact O-N 3.48Å; L1014-A1018 PolarHBondContact O-N 2.91Å; L1014-P1024 HydrophobicContact CD2-CG 3.7Å; L1014-F1027 HydrophobicContact CD1-CD2 4.19Å; L1014-F1027 HydrophobicContact CD1-CE2 4.12Å; L1014-V1103 HydrophobicContact CD1-CG1 4.19Å; L1014-V1103 HydrophobicContact CD1-CG2 3.71Å; L1014-I1107 HydrophobicContact CB-CD1 4.31Å; L1014-I1107 HydrophobicContact CB-CG1 4.19Å; L1014-I1107 HydrophobicContact CB-CG2 4.1Å; L1014-I1107 WeakPolarHBondContact O-CG2 3.34Å
1015	Q	96.4	Very high	96.3	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-45.3	172.1	-74.5	169.8	-41.5	0	0	111.6	I412 L419 K1011 S1012 A1018 Y1019 I1107	I412-Q1015 HydrophobicContact CG2-CB 3.74Å; I412-Q1015 HydrophobicContact CG2-CG 4Å; I412-Q1015 PolarHBondContact O-NE2 3.36Å; L419-Q1015 HydrophobicContact CD1-CB 3.86Å; L419-Q1015 HydrophobicContact CD2-CB 3.67Å; L419-Q1015 HydrophobicContact CG-CB 4.45Å; K1011-Q1015 HydrophobicContact CG-CG 4.24Å; K1011-Q1015 WeakPolarHBondContact O-CB 3.33Å; K1011-Q1015 VanDerWaalsContact O-CG 3.32Å; K1011-Q1015 WeakPolarHBondContact O-CG 3.42Å; K1011-Q1015 PolarHBondContact O-N 3.43Å; S1012-Q1015 PolarHBondContact O-N 3.27Å; Q1015-A1018 PolarHBondContact O-N 3.02Å; Q1015-Y1019 PolarHBondContact O-N 2.93Å; Q1015-I1107 HydrophobicContact CB-CD1 4.43Å; Q1015-I1107 HydrophobicContact CG-CD1 3.62Å
1016	Y	96.4	Very high	96.3	Very high	13 Å²	13	30 Å²	30	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-48.3	174.9	178.6	-96.1	0	0	0	111.7	F416 L419 Q423 F426 S1012 A1018 Y1019 I1020	F416-Y1016 HydrophobicContact CE2-CD2 4.46Å; F416-Y1016 HydrophobicContact CE2-CE2 4.06Å; L419-Y1016 HydrophobicContact CB-CD2 4.27Å; L419-Y1016 WeakPolarHBondContact O-CD2 3.28Å; Q423-Y1016 HydrophobicContact CB-CE2 4.13Å; Q423-Y1016 WeakPolarHBondContact CB-OH 3.49Å; Q423-Y1016 WeakPolarHBondContact CG-OH 3.37Å; F426-Y1016 AromaticContact CD2-CD1 3.51Å; F426-Y1016 HydrophobicContact CD2-CD1 3.51Å; F426-Y1016 AromaticContact CD2-CE1 3.52Å; F426-Y1016 HydrophobicContact CD2-CE1 3.52Å; F426-Y1016 AromaticContact CE2-CD1 3.42Å; F426-Y1016 HydrophobicContact CE2-CD1 3.42Å; F426-Y1016 VanDerWaalsContact CE2-CD1 3.42Å; F426-Y1016 AromaticContact CE2-CE1 3.96Å; F426-Y1016 HydrophobicContact CE2-CE1 3.96Å; F426-Y1016 HydrophobicContact CE2-CG 4.34Å; F426-Y1016 HydrophobicContact CG-CE1 4.28Å; F426-Y1016 HydrophobicContact CZ-CD1 4.35Å; S1012-Y1016 WeakPolarHBondContact O-CB 3.31Å; S1012-Y1016 PolarHBondContact O-N 3.17Å; Y1016-A1018 VanDerWaalsContact C-N 3.31Å; Y1016-A1018 PolarHBondContact O-N 3.39Å; Y1016-Y1019 PolarHBondContact O-N 3.41Å; Y1016-Y1019 VanDerWaalsContact O-N 3.13Å; Y1016-I1020 HydrophobicContact CD1-CD1 4.36Å; Y1016-I1020 HydrophobicContact CE1-CD1 3.77Å; Y1016-I1020 HydrophobicContact CE1-CG1 4.25Å; Y1016-I1020 HydrophobicContact CE1-CG2 4.1Å; Y1016-I1020 HydrophobicContact CE2-CG2 4.02Å; Y1016-I1020 WeakPolarHBondContact O-CG1 3.41Å; Y1016-I1020 PolarHBondContact O-N 2.95Å
1017	L	95.4	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-42	175.7	-79.2	175.9	0	0	0	112.1	F426 F926 F928 L1013 L1014 I1020 Q1021 R1022 A1023 P1024	F426-L1017 HydrophobicContact CD1-CD2 4.05Å; F426-L1017 HydrophobicContact CE1-CD1 3.9Å; F426-L1017 HydrophobicContact CE1-CD2 3.62Å; F426-L1017 HydrophobicContact CE1-CG 3.75Å; F426-L1017 HydrophobicContact CE2-CG 4.48Å; F426-L1017 HydrophobicContact CZ-CD1 4.01Å; F426-L1017 HydrophobicContact CZ-CD2 3.96Å; F426-L1017 HydrophobicContact CZ-CG 3.66Å; F926-L1017 HydrophobicContact CD2-CD2 3.74Å; F926-L1017 HydrophobicContact CE1-CD2 4.48Å; F926-L1017 HydrophobicContact CE2-CD2 3.61Å; F926-L1017 HydrophobicContact CG-CD1 4.4Å; F926-L1017 HydrophobicContact CG-CD2 4.26Å; F926-L1017 HydrophobicContact CZ-CD2 4.01Å; F928-L1017 HydrophobicContact CD2-CD1 4.43Å; L1013-L1017 WeakPolarHBondContact O-CB 3.37Å; L1013-L1017 WeakPolarHBondContact O-CG 3.5Å; L1013-L1017 PolarHBondContact O-N 3.28Å; L1014-L1017 PolarHBondContact O-N 3.48Å; L1017-I1020 HydrophobicContact CD2-CD1 4.48Å; L1017-Q1021 PolarHBondContact O-N 3.24Å; L1017-R1022 HydrophobicContact CD2-CB 3.95Å; L1017-R1022 CarbonylContact O-C 3.33Å; L1017-R1022 VanDerWaalsContact O-C 3.28Å; L1017-R1022 WeakPolarHBondContact O-CA 3.32Å; L1017-R1022 PolarHBondContact O-N 3.45Å; L1017-A1023 PolarHBondContact O-N 2.97Å; L1017-A1023 VanDerWaalsContact O-N 3.13Å; L1017-P1024 HydrophobicContact CD1-CG 4.13Å
1018	A	93.9	Very high	96.3	Very high	19 Å²	19	29.8 Å²	29.8	16%	0.157	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-43.4	174.7	0	0	0	0	0	112.3	I412 L1014 Q1015 Y1016 Q1021 A1023 I1107	I412-A1018 HydrophobicContact CD1-CB 4.13Å; I412-A1018 HydrophobicContact CG1-CB 4.46Å; L1014-A1018 PolarHBondContact O-N 2.91Å; Q1015-A1018 PolarHBondContact O-N 3.02Å; Y1016-A1018 VanDerWaalsContact C-N 3.31Å; Y1016-A1018 PolarHBondContact O-N 3.39Å; A1018-Q1021 PolarHBondContact O-N 3.46Å; A1018-A1023 HydrophobicContact CB-CB 4.41Å; A1018-I1107 HydrophobicContact CB-CG2 3.92Å
1019	Y	93.1	Very high	96.4	Very high	112 Å²	112	27.6 Å²	27.6	44%	0.439	14%	0.135	S	C	.	.	H	α-helix	trans	-61	-46.4	179.2	-170.5	-82.7	0	0	0	112.2	I412 F416 Q1015 Y1016 Q1021	I412-Y1019 HydrophobicContact CD1-CD2 4.3Å; F416-Y1019 HydrophobicContact CB-CD1 4.48Å; F416-Y1019 HydrophobicContact CB-CD2 4.34Å; F416-Y1019 HydrophobicContact CB-CE1 3.93Å; F416-Y1019 HydrophobicContact CB-CE2 3.77Å; F416-Y1019 HydrophobicContact CD1-CE1 4.21Å; F416-Y1019 AromaticContact CD2-CD1 3.24Å; F416-Y1019 HydrophobicContact CD2-CD1 3.24Å; F416-Y1019 HydrophobicContact CD2-CD2 4.33Å; F416-Y1019 AromaticContact CD2-CE1 3.19Å; F416-Y1019 HydrophobicContact CD2-CE1 3.19Å; F416-Y1019 HydrophobicContact CD2-CE2 4.31Å; F416-Y1019 AromaticContact CD2-CG 3.84Å; F416-Y1019 HydrophobicContact CD2-CG 3.84Å; F416-Y1019 AromaticContact CD2-CZ 3.77Å; F416-Y1019 AromaticContact CE2-CD1 3.61Å; F416-Y1019 HydrophobicContact CE2-CD1 3.61Å; F416-Y1019 AromaticContact CE2-CE1 3.67Å; F416-Y1019 HydrophobicContact CE2-CE1 3.67Å; F416-Y1019 HydrophobicContact CG-CD1 4.02Å; F416-Y1019 AromaticContact CG-CE1 3.5Å; F416-Y1019 HydrophobicContact CG-CE1 3.5Å; F416-Y1019 VanDerWaalsContact CG-CE1 3.5Å; F416-Y1019 HydrophobicContact CG-CE2 4.28Å; F416-Y1019 AromaticContact CG-CZ 3.65Å; F416-Y1019 HydrophobicContact CZ-CE1 4.36Å; Q1015-Y1019 PolarHBondContact O-N 2.93Å; Y1016-Y1019 PolarHBondContact O-N 3.41Å; Y1016-Y1019 VanDerWaalsContact O-N 3.13Å; Y1019-Q1021 PolarHBondContact O-N 2.98Å; Y1019-Q1021 VanDerWaalsContact O-N 3.12Å
1020	I	93.6	Very high	96.4	Very high	50 Å²	50	25.6 Å²	25.6	26%	0.256	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	11.4	176.6	69.4	159.9	0	0	0	113.7	L429 Y1016 L1017 R1022	L429-I1020 HydrophobicContact CD1-CD1 3.56Å; Y1016-I1020 HydrophobicContact CD1-CD1 4.36Å; Y1016-I1020 HydrophobicContact CE1-CD1 3.77Å; Y1016-I1020 HydrophobicContact CE1-CG1 4.25Å; Y1016-I1020 HydrophobicContact CE1-CG2 4.1Å; Y1016-I1020 HydrophobicContact CE2-CG2 4.02Å; Y1016-I1020 WeakPolarHBondContact O-CG1 3.41Å; Y1016-I1020 PolarHBondContact O-N 2.95Å; L1017-I1020 HydrophobicContact CD2-CD1 4.48Å; I1020-R1022 VanDerWaalsContact C-N 3.28Å; I1020-R1022 HydrophobicContact CD1-CB 4.03Å; I1020-R1022 HydrophobicContact CD1-CG 3.83Å; I1020-R1022 HydrophobicContact CG1-CB 3.93Å; I1020-R1022 HydrophobicContact CG1-CG 3.93Å; I1020-R1022 PolarHBondContact O-N 3.3Å
1021	Q	93.6	Very high	96.4	Very high	181 Å²	181	25.7 Å²	25.7	85%	0.846	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	31.7	179.4	-50.5	-177	23.9	0	0	114	L1017 A1018 Y1019	L1017-Q1021 PolarHBondContact O-N 3.24Å; A1018-Q1021 PolarHBondContact O-N 3.46Å; Y1019-Q1021 PolarHBondContact O-N 2.98Å; Y1019-Q1021 VanDerWaalsContact O-N 3.12Å
1022	R	94.4	Very high	96.3	Very high	52 Å²	52	25.6 Å²	25.6	20%	0.196	13%	0.127	C	C	.	.			trans	-119.4	24.5	179	-62.2	-62.2	-64.9	-92.6	-5.2	113.4	R922 R924 F926 L1017 I1020	R922-R1022 PolarHBondContact O-NH1 3.15Å; R922-R1022 PolarHBondContact O-NH2 3.24Å; R924-R1022 PolarHBondContact O-NH2 3.17Å; F926-R1022 HydrophobicContact CD2-CB 4.15Å; F926-R1022 HydrophobicContact CE2-CB 4.15Å; L1017-R1022 HydrophobicContact CD2-CB 3.95Å; L1017-R1022 CarbonylContact O-C 3.33Å; L1017-R1022 VanDerWaalsContact O-C 3.28Å; L1017-R1022 WeakPolarHBondContact O-CA 3.32Å; L1017-R1022 PolarHBondContact O-N 3.45Å; I1020-R1022 VanDerWaalsContact C-N 3.28Å; I1020-R1022 HydrophobicContact CD1-CB 4.03Å; I1020-R1022 HydrophobicContact CD1-CG 3.83Å; I1020-R1022 HydrophobicContact CG1-CB 3.93Å; I1020-R1022 HydrophobicContact CG1-CG 3.93Å; I1020-R1022 PolarHBondContact O-N 3.3Å
1023	A	94.3	Very high	96	Very high	43 Å²	43	27.2 Å²	27.2	36%	0.355	14%	0.135	S	C	.	.			trans	-47	139	175.9	0	0	0	0	0	112	L1017 A1018	L1017-A1023 PolarHBondContact O-N 2.97Å; L1017-A1023 VanDerWaalsContact O-N 3.13Å; A1018-A1023 HydrophobicContact CB-CB 4.41Å
1024	P	96.6	Very high	95.5	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.045	14%	0.141	C	C	.	.			trans	-57.3	145.9	-176.4	-27	34.5	0	0	0	114.6	F926 F928 L1014 L1017 V1026 V1109	F926-P1024 HydrophobicContact CB-CB 4.46Å; F926-P1024 HydrophobicContact CB-CG 4.48Å; F926-P1024 CarbonylContact O-C 3.42Å; F926-P1024 WeakPolarHBondContact O-CA 3.12Å; F928-P1024 HydrophobicContact CB-CB 4.04Å; F928-P1024 HydrophobicContact CB-CG 3.69Å; L1014-P1024 HydrophobicContact CD2-CG 3.7Å; L1017-P1024 HydrophobicContact CD1-CG 4.13Å; P1024-V1026 VanDerWaalsContact C-N 3.3Å; P1024-V1026 WeakPolarHBondContact CB-O 3.49Å; P1024-V1109 HydrophobicContact CB-CG2 4.42Å; P1024-V1109 HydrophobicContact CG-CG2 4.5Å
1025	L	95.7	Very high	94.9	Very high	47 Å²	47	30.5 Å²	30.5	25%	0.246	15%	0.15	C	C	.	.	S	Bend	trans	-71.3	-29.3	172.8	179.2	64.5	0	0	0	112.1	P925 F926 I927 Y965	P925-L1025 HydrophobicContact CB-CB 4.24Å; P925-L1025 HydrophobicContact CB-CD2 4.42Å; F926-L1025 PolarHBondContact O-N 3.07Å; I927-L1025 HydrophobicContact CD1-CB 4.03Å; I927-L1025 HydrophobicContact CD1-CD2 4.39Å; Y965-L1025 HydrophobicContact CE1-CD2 3.54Å
1026	V	97.7	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.4	173.5	172.4	0	0	0	0	108.2	I927 F928 P1024 C1028 L1071 R1111 Y1113 M1148 L1151	I927-V1026 HydrophobicContact CD1-CB 4.45Å; I927-V1026 HydrophobicContact CG2-CB 4.34Å; F928-V1026 PolarHBondContact N-O 3.49Å; P1024-V1026 VanDerWaalsContact C-N 3.3Å; P1024-V1026 WeakPolarHBondContact CB-O 3.49Å; V1026-C1028 HydrophobicContact CG1-CB 4.41Å; V1026-L1071 HydrophobicContact CG1-CD2 4.24Å; V1026-R1111 CarbonylContact C-O 3.57Å; V1026-R1111 WeakPolarHBondContact CA-O 3.46Å; V1026-R1111 HydrophobicContact CB-CB 4.39Å; V1026-R1111 HydrophobicContact CG2-CB 3.81Å; V1026-R1111 HydrophobicContact CG2-CG 4.49Å; V1026-Y1113 HydrophobicContact CG1-CD2 4.18Å; V1026-Y1113 HydrophobicContact CG1-CE2 4.11Å; V1026-M1148 HydrophobicContact CB-CE 3.91Å; V1026-M1148 HydrophobicContact CB-SD 4.38Å; V1026-M1148 HydrophobicContact CG1-CE 4.5Å; V1026-M1148 HydrophobicContact CG1-SD 4.43Å; V1026-M1148 HydrophobicContact CG2-CE 3.61Å; V1026-M1148 HydrophobicContact CG2-SD 3.89Å; V1026-L1151 HydrophobicContact CG2-CD2 3.91Å
1027	F	98.6	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.3	159.4	171.8	-93.4	0	0	0	107.6	F928 W996 L1014 D1029 A1099 V1103 V1109 R1111 S1112 Y1113	F928-F1027 HydrophobicContact CB-CD2 4.17Å; F928-F1027 AromaticContact CD1-CD2 3.8Å; F928-F1027 HydrophobicContact CD1-CD2 3.8Å; F928-F1027 AromaticContact CD1-CE2 3.84Å; F928-F1027 HydrophobicContact CD1-CE2 3.84Å; F928-F1027 HydrophobicContact CE1-CE2 4.36Å; F928-F1027 HydrophobicContact CG-CD2 4.3Å; F928-F1027 VanDerWaalsContact O-CA 3.32Å; F928-F1027 WeakPolarHBondContact O-CA 3.18Å; W996-F1027 HydrophobicContact CH2-CE2 4.2Å; W996-F1027 AromaticContact CH2-CZ 3.95Å; W996-F1027 HydrophobicContact CH2-CZ 3.95Å; W996-F1027 HydrophobicContact CZ3-CZ 4.46Å; L1014-F1027 HydrophobicContact CD1-CD2 4.19Å; L1014-F1027 HydrophobicContact CD1-CE2 4.12Å; F1027-D1029 HydrophobicContact CE1-CB 3.92Å; F1027-D1029 HydrophobicContact CZ-CB 3.99Å; F1027-A1099 HydrophobicContact CE1-CB 3.95Å; F1027-A1099 HydrophobicContact CZ-CB 3.98Å; F1027-V1103 HydrophobicContact CB-CG1 3.73Å; F1027-V1103 HydrophobicContact CD1-CB 4.13Å; F1027-V1103 HydrophobicContact CD1-CG1 4.05Å; F1027-V1103 HydrophobicContact CD1-CG2 4.43Å; F1027-V1103 HydrophobicContact CD2-CG1 3.99Å; F1027-V1103 HydrophobicContact CD2-CG2 4.45Å; F1027-V1103 HydrophobicContact CE1-CB 4.45Å; F1027-V1103 HydrophobicContact CE1-CG2 4.33Å; F1027-V1103 HydrophobicContact CE2-CG2 4.36Å; F1027-V1103 HydrophobicContact CG-CB 4.21Å; F1027-V1103 HydrophobicContact CG-CG1 3.64Å; F1027-V1103 HydrophobicContact CG-CG2 4.5Å; F1027-V1103 HydrophobicContact CZ-CG2 4.31Å; F1027-V1109 HydrophobicContact CB-CG1 3.91Å; F1027-R1111 PolarHBondContact N-O 2.89Å; F1027-R1111 VanDerWaalsContact O-O 3.04Å; F1027-S1112 WeakPolarHBondContact CD1-OG 3.45Å; F1027-S1112 WeakPolarHBondContact O-CA 3.49Å; F1027-Y1113 PolarHBondContact O-N 3.27Å
1028	C	98.8	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	125.4	173.2	-160.2	0	0	0	0	111.1	F928 L929 S930 V1026 Y1030 Y1113 F1144	F928-C1028 PolarHBondContact O-N 3.38Å; F928-C1028 VanDerWaalsContact O-N 3.1Å; L929-C1028 WeakPolarHBondContact CA-O 3.15Å; L929-C1028 HydrophobicContact CD2-CB 3.74Å; S930-C1028 PolarHBondContact N-O 3.36Å; V1026-C1028 HydrophobicContact CG1-CB 4.41Å; C1028-Y1030 HydrophobicContact CB-CE1 4.17Å; C1028-Y1113 WeakPolarHBondContact CA-O 3.32Å; C1028-F1144 HydrophobicContact CB-CE2 4.17Å; C1028-F1144 HydrophobicContact CB-CZ 3.81Å
1029	D	98.8	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.1	176.2	-161.8	21.9	0	0	0	109.5	S930 F1027 H1031 A1099 Y1113 T1114 M1115	S930-D1029 VanDerWaalsContact C-OD1 3.3Å; S930-D1029 VanDerWaalsContact CB-OD1 3.31Å; S930-D1029 WeakPolarHBondContact CB-OD1 3.41Å; S930-D1029 CarbonylContact O-C 3.57Å; S930-D1029 WeakPolarHBondContact O-CA 3.44Å; S930-D1029 PolarHBondContact OG-OD1 3.01Å; F1027-D1029 HydrophobicContact CE1-CB 3.92Å; F1027-D1029 HydrophobicContact CZ-CB 3.99Å; D1029-H1031 VanDerWaalsContact CG-NE2 3.26Å; D1029-H1031 IonicContact OD1-NE2 2.78Å; D1029-H1031 IonicContact OD2-CD2 3.79Å; D1029-H1031 IonicContact OD2-CE1 3.94Å; D1029-H1031 IonicContact OD2-NE2 2.75Å; D1029-H1031 PolarHBondContact OD2-NE2 3.35Å; D1029-A1099 HydrophobicContact CB-CB 4.46Å; D1029-Y1113 PolarHBondContact N-O 2.93Å; D1029-T1114 CarbonylContact O-C 3.55Å; D1029-T1114 WeakPolarHBondContact O-CA 3.31Å; D1029-M1115 PolarHBondContact O-N 2.64Å
1030	Y	98.8	Very high	94.7	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.5	-175.8	-59.8	-8.9	0	0	0	111.9	S930 A931 R932 A940 V943 M944 T947 C1028 M1115 F1144	S930-Y1030 PolarHBondContact O-N 2.98Å; A931-Y1030 HydrophobicContact CB-CD2 4.36Å; A931-Y1030 HydrophobicContact CB-CG 4.44Å; R932-Y1030 PolarHBondContact N-O 3.49Å; A940-Y1030 VanDerWaalsContact CB-O 3.26Å; A940-Y1030 WeakPolarHBondContact CB-O 3.46Å; V943-Y1030 HydrophobicContact CB-CD2 4.05Å; V943-Y1030 HydrophobicContact CB-CE2 4.36Å; V943-Y1030 HydrophobicContact CG1-CD2 3.71Å; V943-Y1030 HydrophobicContact CG1-CE2 3.64Å; V943-Y1030 HydrophobicContact CG1-CG 4.39Å; M944-Y1030 HydrophobicContact CB-CD2 4.19Å; M944-Y1030 HydrophobicContact CB-CE2 4.46Å; M944-Y1030 HydrophobicContact CE-CD2 3.83Å; M944-Y1030 HydrophobicContact CE-CE2 3.85Å; M944-Y1030 HydrophobicContact SD-CE2 4.39Å; T947-Y1030 PolarHBondContact OG1-OH 3.37Å; T947-Y1030 VanDerWaalsContact OG1-OH 3.11Å; C1028-Y1030 HydrophobicContact CB-CE1 4.17Å; Y1030-M1115 HydrophobicContact CD1-CB 3.97Å; Y1030-M1115 HydrophobicContact CD1-CE 4.05Å; Y1030-M1115 HydrophobicContact CD1-SD 4.39Å; Y1030-M1115 HydrophobicContact CE1-CE 3.57Å; Y1030-M1115 HydrophobicContact CE1-SD 4.44Å; Y1030-F1144 WeakPolarHBondContact OH-CD1 3.41Å; Y1030-F1144 WeakPolarHBondContact OH-CE1 3.32Å
1031	H	98.4	Very high	94.9	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.014	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	169.6	-171	-74.8	-117.1	0	0	0	112	V933 H934 E937 N993 D1029 T1114 M1115 S1117	V933-H1031 WeakPolarHBondContact CG1-CE1 3.37Å; V933-H1031 WeakPolarHBondContact CG1-NE2 3.42Å; H934-H1031 AromaticContact CE1-CE1 3.19Å; H934-H1031 PolarHBondContact CE1-CE1 3.28Å; H934-H1031 AromaticContact CE1-ND1 3.01Å; H934-H1031 PolarHBondContact CE1-ND1 3.16Å; H934-H1031 AromaticContact ND1-CE1 3.68Å; H934-H1031 AromaticContact ND1-ND1 3.24Å; H934-H1031 PolarHBondContact ND1-ND1 3.41Å; H934-H1031 AromaticContact NE2-CE1 3.93Å; E937-H1031 WeakPolarHBondContact OE2-CA 3.46Å; E937-H1031 IonicContact OE2-CG 3.81Å; E937-H1031 IonicContact OE2-ND1 2.72Å; N993-H1031 PolarHBondContact ND2-CE1 3.34Å; N993-H1031 VanDerWaalsContact ND2-CE1 3.27Å; D1029-H1031 VanDerWaalsContact CG-NE2 3.26Å; D1029-H1031 IonicContact OD1-NE2 2.78Å; D1029-H1031 IonicContact OD2-CD2 3.79Å; D1029-H1031 IonicContact OD2-CE1 3.94Å; D1029-H1031 IonicContact OD2-NE2 2.75Å; D1029-H1031 PolarHBondContact OD2-NE2 3.35Å; H1031-T1114 HydrophobicContact CB-CG2 3.84Å; H1031-T1114 VanDerWaalsContact CD2-CG2 3.5Å; H1031-T1114 WeakPolarHBondContact CD2-CG2 3.38Å; H1031-M1115 PolarHBondContact N-O 3.25Å; H1031-S1117 PolarHBondContact O-N 3.26Å; H1031-S1117 PolarHBondContact O-OG 2.96Å
1032	G	95.1	Very high	95	Very high	4 Å²	4	15.6 Å²	15.6	4%	0.041	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.9	-178	0	0	0	0	0	114	E937 N939 S1117	E937-G1032 VanDerWaalsContact CD-O 3.31Å; E937-G1032 WeakPolarHBondContact CG-O 3.46Å; E937-G1032 PolarHBondContact OE2-N 2.93Å; N939-G1032 VanDerWaalsContact OD1-CA 3.25Å; N939-G1032 WeakPolarHBondContact OD1-CA 3.35Å; G1032-S1117 CarbonylContact C-O 3.52Å; G1032-S1117 WeakPolarHBondContact CA-O 3.28Å
1033	H	91.9	Very high	94.9	Very high	35 Å²	35	13.1 Å²	13.1	16%	0.162	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.4	-176.3	-154.9	-94	0	0	0	112.7	K1036 F1040 E1116 S1117 L1119	H1033-K1036 WeakPolarHBondContact ND1-CB 3.3Å; H1033-K1036 PolarHBondContact ND1-N 3Å; H1033-K1036 VanDerWaalsContact ND1-N 3.12Å; H1033-F1040 HydrophobicContact CB-CE1 4.47Å; H1033-F1040 HydrophobicContact CB-CZ 3.98Å; H1033-F1040 AromaticContact CG-CZ 3.77Å; H1033-E1116 HydrophobicContact CB-CB 4.24Å; H1033-E1116 IonicContact CD2-OE2 2.75Å; H1033-S1117 PolarHBondContact N-O 3.46Å; H1033-L1119 PolarHBondContact O-N 3.21Å
1034	S	87.1	Confident	94.8	Very high	18 Å²	18	11.2 Å²	11.2	13%	0.126	5%	0.054	C	C	.	.	S	Bend	trans	-86.2	-11.6	-173.8	56.7	0	0	0	0	115.3	Q762 Q790	Q762-S1034 PolarHBondContact OE1-OG 3.37Å; Q790-S1034 VanDerWaalsContact CG-O 3.23Å; Q790-S1034 WeakPolarHBondContact CG-O 3.44Å
1035	R	84.9	Confident	94.4	Very high	51 Å²	51	10.9 Å²	10.9	19%	0.192	5%	0.052	C	C	.	.	S	Bend	trans	-113.7	-11.3	-178.5	-73.7	-177.3	69.1	177.4	2.5	116.4	E385 Q790 V1186	E385-R1035 IonicContact OE1-NH1 2.89Å; E385-R1035 IonicContact OE1-NH2 3.14Å; E385-R1035 IonicContact OE2-CZ 3.65Å; E385-R1035 IonicContact OE2-NH1 3.92Å; E385-R1035 PolarHBondContact OE2-NH1 3.14Å; E385-R1035 IonicContact OE2-NH2 2.63Å; E385-R1035 PolarHBondContact OE2-NH2 3.02Å; Q790-R1035 PolarHBondContact NE2-O 3.43Å; R1035-V1186 HydrophobicContact CB-CG2 3.82Å
1036	K	88.1	Confident	93.8	Very high	14 Å²	14	9 Å²	9	6%	0.061	4%	0.043	C	C	.	.			trans	-121.3	155.6	-178.9	-65.8	-164.1	-167.7	-153.6	0	111.6	H1033 F1040 T1118 Y1185 V1186 D1190	H1033-K1036 WeakPolarHBondContact ND1-CB 3.3Å; H1033-K1036 PolarHBondContact ND1-N 3Å; H1033-K1036 VanDerWaalsContact ND1-N 3.12Å; K1036-F1040 HydrophobicContact CB-CE1 3.88Å; K1036-F1040 HydrophobicContact CB-CZ 3.95Å; K1036-F1040 HydrophobicContact CD-CZ 4.27Å; K1036-T1118 WeakPolarHBondContact O-CB 3.31Å; K1036-T1118 PolarHBondContact O-OG1 3.05Å; K1036-Y1185 PolarHBondContact NZ-O 2.85Å; K1036-V1186 HydrophobicContact CG-CG2 4.16Å; K1036-D1190 VanDerWaalsContact CE-OD2 3.25Å; K1036-D1190 WeakPolarHBondContact CE-OD2 3.25Å; K1036-D1190 IonicContact NZ-OD2 2.67Å; K1036-D1190 PolarHBondContact NZ-OD2 3.47Å
1037	K	92.6	Very high	93	Very high	31 Å²	31	11.5 Å²	11.5	14%	0.135	5%	0.053	C	C	.	.			trans	-93.3	165.3	177.1	-74	178.8	-178.6	178.6	0	110.6	Y793 G1121 D1123	Y793-K1037 PolarHBondContact O-NZ 2.64Å; K1037-G1121 VanDerWaalsContact CA-O 3.31Å; K1037-G1121 WeakPolarHBondContact CA-O 3.45Å; K1037-G1121 WeakPolarHBondContact CB-O 3.43Å; K1037-G1121 WeakPolarHBondContact CG-O 3.28Å; K1037-D1123 VanDerWaalsContact CB-OD2 3.25Å; K1037-D1123 WeakPolarHBondContact CB-OD2 3.37Å; K1037-D1123 HydrophobicContact CD-CB 4.29Å
1038	N	95.6	Very high	92.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	66.9	-178.4	-176.6	-37.3	-66.2	0	0	0	114.3	A1081 T1118 G1121 C1122 D1123 Q1124	N1038-A1081 WeakPolarHBondContact CB-O 3.47Å; N1038-T1118 WeakPolarHBondContact O-CB 3.42Å; N1038-T1118 PolarHBondContact O-N 3.5Å; N1038-G1121 PolarHBondContact N-O 3.31Å; N1038-C1122 VanDerWaalsContact OD1-CA 3.27Å; N1038-C1122 WeakPolarHBondContact OD1-CA 3.34Å; N1038-C1122 WeakPolarHBondContact OD1-CB 3.24Å; N1038-D1123 PolarHBondContact ND2-OD1 3.4Å; N1038-D1123 PolarHBondContact ND2-OD2 2.93Å; N1038-D1123 PolarHBondContact OD1-N 2.86Å; N1038-D1123 PolarHBondContact OD1-OD1 3.45Å; N1038-Q1124 PolarHBondContact ND2-NE2 2.84Å
1039	V	97.8	Very high	91.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.9	170.2	-176.3	0	0	0	0	108.4	A1081 F1082 S1083 M1115 E1116 M1140	V1039-A1081 HydrophobicContact CG2-CB 4.16Å; V1039-A1081 PolarHBondContact N-O 2.94Å; V1039-F1082 HydrophobicContact CB-CD2 4.48Å; V1039-F1082 HydrophobicContact CG1-CD2 4.23Å; V1039-F1082 CarbonylContact O-C 3.6Å; V1039-F1082 VanDerWaalsContact O-CA 3.29Å; V1039-F1082 WeakPolarHBondContact O-CA 3.26Å; V1039-S1083 PolarHBondContact O-N 3.44Å; V1039-M1115 HydrophobicContact CG1-CG 3.82Å; V1039-M1115 HydrophobicContact CG1-SD 3.86Å; V1039-E1116 CarbonylContact C-O 3.6Å; V1039-E1116 VanDerWaalsContact CA-O 3.24Å; V1039-E1116 WeakPolarHBondContact CA-O 3.31Å; V1039-E1116 VanDerWaalsContact CG1-O 3.28Å; V1039-E1116 WeakPolarHBondContact CG1-O 3.45Å; V1039-M1140 HydrophobicContact CB-CG 4.39Å; V1039-M1140 HydrophobicContact CB-SD 4.1Å; V1039-M1140 HydrophobicContact CG1-CE 4.04Å; V1039-M1140 HydrophobicContact CG1-CG 3.93Å; V1039-M1140 HydrophobicContact CG1-SD 3.92Å; V1039-M1140 HydrophobicContact CG2-CG 4.1Å; V1039-M1140 HydrophobicContact CG2-SD 4.25Å
1040	F	97.3	Very high	90.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	-179.5	179.2	48.3	-84.8	0	0	0	111.3	H1033 K1036 Y1042 S1083 S1086 E1116	H1033-F1040 HydrophobicContact CB-CE1 4.47Å; H1033-F1040 HydrophobicContact CB-CZ 3.98Å; H1033-F1040 AromaticContact CG-CZ 3.77Å; K1036-F1040 HydrophobicContact CB-CE1 3.88Å; K1036-F1040 HydrophobicContact CB-CZ 3.95Å; K1036-F1040 HydrophobicContact CD-CZ 4.27Å; F1040-Y1042 HydrophobicContact CD2-CE1 4.37Å; F1040-Y1042 HydrophobicContact CE2-CE1 4.18Å; F1040-Y1042 HydrophobicContact CE2-CE2 4.09Å; F1040-Y1042 AromaticContact CE2-CZ 3.7Å; F1040-S1083 WeakPolarHBondContact CB-O 3.2Å; F1040-S1086 WeakPolarHBondContact CD2-O 3.39Å; F1040-E1116 HydrophobicContact CD1-CB 4.37Å; F1040-E1116 HydrophobicContact CD2-CB 3.7Å; F1040-E1116 HydrophobicContact CD2-CG 4.07Å; F1040-E1116 HydrophobicContact CE1-CB 4.13Å; F1040-E1116 HydrophobicContact CE2-CB 3.41Å; F1040-E1116 VanDerWaalsContact CE2-CB 3.41Å; F1040-E1116 HydrophobicContact CE2-CG 3.63Å; F1040-E1116 HydrophobicContact CG-CB 4.16Å; F1040-E1116 HydrophobicContact CZ-CB 3.64Å; F1040-E1116 HydrophobicContact CZ-CG 4.19Å; F1040-E1116 PolarHBondContact N-O 2.79Å; F1040-E1116 PolarHBondContact O-N 2.72Å
1041	M	96.9	Very high	88.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.2	178.8	-84	171.6	-179.8	0	0	112.7	P1072 L1075 F1082 S1087 S1088 Y1113 T1114 M1115 F1144	M1041-P1072 HydrophobicContact CB-CG 4.28Å; M1041-P1072 HydrophobicContact SD-CG 3.9Å; M1041-L1075 HydrophobicContact CE-CD1 3.4Å; M1041-L1075 HydrophobicContact SD-CD1 3.82Å; M1041-F1082 HydrophobicContact CB-CE2 4.39Å; M1041-F1082 HydrophobicContact CB-CZ 4.23Å; M1041-F1082 HydrophobicContact CE-CE2 4.47Å; M1041-F1082 HydrophobicContact CG-CE2 3.94Å; M1041-F1082 HydrophobicContact CG-CZ 4.18Å; M1041-F1082 HydrophobicContact SD-CE2 4.15Å; M1041-F1082 HydrophobicContact SD-CZ 4.22Å; M1041-S1087 PolarHBondContact N-OG 2.96Å; M1041-S1087 CarbonylContact O-C 3.51Å; M1041-S1087 WeakPolarHBondContact O-CA 3.21Å; M1041-S1087 WeakPolarHBondContact O-CB 3.29Å; M1041-S1088 PolarHBondContact O-N 2.98Å; M1041-Y1113 HydrophobicContact SD-CG 4.33Å; M1041-T1114 CarbonylContact C-O 3.52Å; M1041-T1114 VanDerWaalsContact CA-O 3.29Å; M1041-T1114 WeakPolarHBondContact CA-O 3.38Å; M1041-M1115 HydrophobicContact CE-CB 4.13Å; M1041-M1115 HydrophobicContact CE-CE 3.63Å; M1041-M1115 HydrophobicContact CE-CG 4.07Å; M1041-M1115 HydrophobicContact CG-CB 4.28Å; M1041-M1115 HydrophobicContact CG-CG 4.33Å; M1041-F1144 HydrophobicContact CE-CD2 3.84Å; M1041-F1144 HydrophobicContact CE-CE2 3.7Å
1042	Y	95	Very high	87.4	Confident	19 Å²	19	25.2 Å²	25.2	8%	0.075	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.2	162.4	-62	-50.4	0	0	0	110	F1040 S1088 R1100 Y1113 T1114 E1116 T1184	F1040-Y1042 HydrophobicContact CD2-CE1 4.37Å; F1040-Y1042 HydrophobicContact CE2-CE1 4.18Å; F1040-Y1042 HydrophobicContact CE2-CE2 4.09Å; F1040-Y1042 AromaticContact CE2-CZ 3.7Å; Y1042-S1088 CarbonylContact C-O 3.6Å; Y1042-S1088 VanDerWaalsContact CA-O 3.24Å; Y1042-S1088 WeakPolarHBondContact CA-O 3.25Å; Y1042-R1100 WeakPolarHBondContact O-CD 3.2Å; Y1042-Y1113 CarbonylContact O-C 3.49Å; Y1042-Y1113 VanDerWaalsContact O-CA 3.25Å; Y1042-Y1113 WeakPolarHBondContact O-CA 3.43Å; Y1042-T1114 PolarHBondContact N-O 2.82Å; Y1042-T1114 PolarHBondContact O-N 3.06Å; Y1042-E1116 HydrophobicContact CD2-CG 3.6Å; Y1042-E1116 HydrophobicContact CE2-CG 3.48Å; Y1042-E1116 VanDerWaalsContact CE2-CG 3.48Å; Y1042-T1184 HydrophobicContact CD1-CG2 4.08Å; Y1042-T1184 HydrophobicContact CE1-CG2 4.07Å; Y1042-T1184 PolarHBondContact OH-O 2.89Å
1043	G	93.7	Very high	85.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.121	C	C	.	.			trans	-117.4	-160.8	175	0	0	0	0	0	112.5	S1088 F1089 R1100	G1043-S1088 PolarHBondContact N-O 3.26Å; G1043-F1089 CarbonylContact O-C 3.58Å; G1043-R1100 PolarHBondContact O-NH1 2.82Å
1044	C	91.2	Very high	84.1	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.02	15%	0.154	C	C	.	.			trans	-134.4	130	-179.6	-54.2	0	0	0	0	111.6	F1089 V1091 W1104	C1044-F1089 CarbonylContact C-O 3.52Å; C1044-F1089 WeakPolarHBondContact CA-O 3.37Å; C1044-V1091 HydrophobicContact CB-CG2 3.71Å; C1044-W1104 HydrophobicContact CB-CB 4.14Å; C1044-W1104 HydrophobicContact CB-CD2 3.35Å; C1044-W1104 VanDerWaalsContact CB-CE2 3.49Å; C1044-W1104 HydrophobicContact CB-CE3 3.76Å; C1044-W1104 HydrophobicContact CB-CG 3.56Å; C1044-W1104 HydrophobicContact CB-CH2 4.33Å; C1044-W1104 HydrophobicContact CB-CZ2 3.99Å; C1044-W1104 HydrophobicContact CB-CZ3 4.23Å
1045	S	88.4	Confident	82.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.			trans	-142.4	130.7	174.1	166.4	0	0	0	0	109.8	K1047 E1048 T1049 E1064 Y1068 F1089	S1045-K1047 VanDerWaalsContact C-N 3.33Å; S1045-K1047 PolarHBondContact OG-N 2.87Å; S1045-K1047 VanDerWaalsContact OG-N 3.16Å; S1045-E1048 PolarHBondContact OG-N 3.41Å; S1045-T1049 PolarHBondContact O-N 3.43Å; S1045-T1049 PolarHBondContact O-OG1 3.35Å; S1045-E1064 WeakPolarHBondContact CA-OE1 3.31Å; S1045-E1064 PolarHBondContact OG-OE2 3.44Å; S1045-Y1068 PolarHBondContact OG-OH 3.46Å; S1045-F1089 PolarHBondContact N-O 3.23Å
1046	V	83.7	Confident	80.8	Confident	9 Å²	9	38.3 Å²	38.3	6%	0.055	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-42.9	170.1	-176	0	0	0	0	109.2	L406 V1050 L1062 E1064 W1104	L406-V1046 HydrophobicContact CB-CG1 4.32Å; V1046-V1050 HydrophobicContact CG1-CG2 4.21Å; V1046-V1050 WeakPolarHBondContact O-CB 3.44Å; V1046-V1050 VanDerWaalsContact O-CG2 3.23Å; V1046-V1050 WeakPolarHBondContact O-CG2 3.13Å; V1046-V1050 PolarHBondContact O-N 2.79Å; V1046-L1062 HydrophobicContact CG1-CD1 4.42Å; V1046-E1064 PolarHBondContact N-OE1 2.98Å; V1046-W1104 HydrophobicContact CG2-CH2 3.81Å; V1046-W1104 HydrophobicContact CG2-CZ2 3.85Å
1047	K	80.9	Confident	78.9	Confident	52 Å²	52	39.6 Å²	39.6	23%	0.226	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-55	-177.9	-70.7	-164.9	177.4	-135.6	0	111.8	S1045 T1049 V1050 W1051 L1062 E1064	S1045-K1047 VanDerWaalsContact C-N 3.33Å; S1045-K1047 PolarHBondContact OG-N 2.87Å; S1045-K1047 VanDerWaalsContact OG-N 3.16Å; K1047-T1049 VanDerWaalsContact C-N 3.25Å; K1047-T1049 PolarHBondContact O-N 2.92Å; K1047-V1050 PolarHBondContact O-N 3.19Å; K1047-V1050 VanDerWaalsContact O-N 3.15Å; K1047-W1051 WeakPolarHBondContact O-CB 3.06Å; K1047-W1051 PolarHBondContact O-N 3.17Å; K1047-L1062 WeakPolarHBondContact CE-O 3.24Å; K1047-L1062 PolarHBondContact NZ-O 3.33Å; K1047-E1064 HydrophobicContact CD-CB 4.23Å; K1047-E1064 HydrophobicContact CG-CB 4.15Å; K1047-E1064 PolarHBondContact N-OE2 3.42Å
1048	E	81.7	Confident	76.7	Confident	41 Å²	41	42.8 Å²	42.8	19%	0.192	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-33.5	-172.3	-65.2	178.8	-147.3	0	0	111.9	S1045 Q1052 Y1068 R1069 F1089	S1045-E1048 PolarHBondContact OG-N 3.41Å; E1048-Q1052 PolarHBondContact O-N 3.48Å; E1048-Y1068 VanDerWaalsContact OE1-CE2 3.23Å; E1048-Y1068 WeakPolarHBondContact OE1-CE2 3.41Å; E1048-Y1068 PolarHBondContact OE1-OH 3.47Å; E1048-R1069 VanDerWaalsContact CD-NH2 3.26Å; E1048-R1069 IonicContact OE1-CZ 2.83Å; E1048-R1069 IonicContact OE1-NE 3.81Å; E1048-R1069 PolarHBondContact OE1-NE 2.94Å; E1048-R1069 IonicContact OE1-NH2 3.8Å; E1048-R1069 PolarHBondContact OE1-NH2 2.93Å; E1048-R1069 IonicContact OE2-CZ 3.56Å; E1048-R1069 IonicContact OE2-NE 3.5Å; E1048-R1069 IonicContact OE2-NH2 3.59Å; E1048-R1069 PolarHBondContact OE2-NH2 2.97Å; E1048-F1089 WeakPolarHBondContact OE2-CD2 3.43Å
1049	T	81.3	Confident	74.6	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.043	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-47.7	172.6	-48.4	0	0	0	0	112.1	L406 S1045 K1047 Q1052 S1053 V1090 V1091	L406-T1049 HydrophobicContact CD1-CG2 4.01Å; L406-T1049 HydrophobicContact CD2-CG2 4.05Å; S1045-T1049 PolarHBondContact O-N 3.43Å; S1045-T1049 PolarHBondContact O-OG1 3.35Å; K1047-T1049 VanDerWaalsContact C-N 3.25Å; K1047-T1049 PolarHBondContact O-N 2.92Å; T1049-Q1052 PolarHBondContact O-N 3.1Å; T1049-S1053 PolarHBondContact O-N 3.16Å; T1049-V1090 HydrophobicContact CG2-CG1 4.4Å; T1049-V1091 WeakPolarHBondContact CG2-O 3.27Å; T1049-V1091 PolarHBondContact OG1-N 3.5Å
1050	V	75.9	Confident	72.3	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-72	-30.4	-178.4	175.5	0	0	0	0	112.9	L403 L406 V1046 K1047 Q1052	L403-V1050 HydrophobicContact CD2-CB 4.48Å; L403-V1050 HydrophobicContact CD2-CG1 4.22Å; L403-V1050 HydrophobicContact CD2-CG2 3.4Å; L403-V1050 VanDerWaalsContact CD2-CG2 3.4Å; L406-V1050 HydrophobicContact CD1-CG2 3.94Å; V1046-V1050 HydrophobicContact CG1-CG2 4.21Å; V1046-V1050 WeakPolarHBondContact O-CB 3.44Å; V1046-V1050 VanDerWaalsContact O-CG2 3.23Å; V1046-V1050 WeakPolarHBondContact O-CG2 3.13Å; V1046-V1050 PolarHBondContact O-N 2.79Å; K1047-V1050 PolarHBondContact O-N 3.19Å; K1047-V1050 VanDerWaalsContact O-N 3.15Å; V1050-Q1052 PolarHBondContact O-N 2.63Å
1051	W	69.4	Low	70.3	Confident	178 Å²	178	54.6 Å²	54.6	67%	0.674	30%	0.304	S	S	*	.	H	α-helix	trans	-69.2	-17.4	172.9	-87.8	85.4	0	0	0	113	K1047 S1059	K1047-W1051 WeakPolarHBondContact O-CB 3.06Å; K1047-W1051 PolarHBondContact O-N 3.17Å; W1051-S1059 WeakPolarHBondContact CZ2-OG 3.48Å
1052	Q	66.6	Low	68.6	Low	59 Å²	59	56.9 Å²	56.9	28%	0.276	32%	0.316	S	S	.	.	H	α-helix	trans	-94.9	-33.8	179.4	-179.3	175.5	5	0	0	113.5	E1048 T1049 V1050 D1054 V1090 T1182	E1048-Q1052 PolarHBondContact O-N 3.48Å; T1049-Q1052 PolarHBondContact O-N 3.1Å; V1050-Q1052 PolarHBondContact O-N 2.63Å; Q1052-D1054 PolarHBondContact O-N 3.07Å; Q1052-V1090 VanDerWaalsContact OE1-CG1 3.28Å; Q1052-V1090 VanDerWaalsContact OE1-CG2 3.27Å; Q1052-T1182 VanDerWaalsContact CD-O 3.29Å; Q1052-T1182 HydrophobicContact CG-CG2 3.94Å; Q1052-T1182 PolarHBondContact NE2-O 3.49Å; Q1052-T1182 PolarHBondContact OE1-O 2.99Å
1053	S	61.7	Low	67.1	Low	37 Å²	37	65.5 Å²	65.5	26%	0.259	36%	0.357	S	S	.	.	S	Bend	trans	-76.5	13.7	-174.6	61.5	0	0	0	0	115.1	T1049 I1055	T1049-S1053 PolarHBondContact O-N 3.16Å; S1053-I1055 PolarHBondContact O-N 2.64Å
1054	D	55.8	Low	66.2	Low	159 Å²	159	67.5 Å²	67.5	85%	0.85	37%	0.367	S	S	*	.			trans	52.6	14.4	-178.5	-96.2	-22.2	0	0	0	115.4	Q1052 S1056	Q1052-D1054 PolarHBondContact O-N 3.07Å; D1054-S1056 PolarHBondContact O-N 2.8Å
1055	I	56.3	Low	65.3	Low	60 Å²	60	70 Å²	70	31%	0.308	38%	0.38	S	S	.	.			trans	-69.2	122.9	178.1	-65	-174.7	0	0	0	109.4	E400 S1053 A1057	E400-I1055 WeakPolarHBondContact O-CD1 3.41Å; S1053-I1055 PolarHBondContact O-N 2.64Å; I1055-A1057 HydrophobicContact CG2-CB 4.02Å; I1055-A1057 PolarHBondContact O-N 2.89Å
1056	S	47.9	Very low	64.9	Low	127 Å²	127	73 Å²	73	89%	0.888	40%	0.395	S	S	*	.			trans	-73.3	38.3	-177.9	72.3	0	0	0	0	114.3	D1054	D1054-S1056 PolarHBondContact O-N 2.8Å
1057	A	46.8	Very low	64.9	Low	42 Å²	42	72.6 Å²	72.6	35%	0.347	39%	0.393	S	S	.	.			trans	-78.3	151.8	176	0	0	0	0	0	111.3	L403 I1055 S1059	L403-A1057 HydrophobicContact CD1-CB 4.45Å; I1055-A1057 HydrophobicContact CG2-CB 4.02Å; I1055-A1057 PolarHBondContact O-N 2.89Å; A1057-S1059 VanDerWaalsContact C-N 3.32Å; A1057-S1059 PolarHBondContact O-N 3.32Å
1058	T	46.8	Very low	65.2	Low	97 Å²	97	70.5 Å²	70.5	60%	0.595	38%	0.384	S	S	*	.			trans	-73.5	82.2	179.3	47.1	0	0	0	0	111.5	S1060 D1061	T1058-S1060 PolarHBondContact O-N 2.85Å; T1058-D1061 WeakPolarHBondContact CB-OD2 3.23Å; T1058-D1061 PolarHBondContact O-N 3.18Å; T1058-D1061 PolarHBondContact OG1-OD2 3.44Å
1059	S	50.9	Low	65.6	Low	37 Å²	37	72.1 Å²	72.1	26%	0.259	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-9.7	-178.8	68.2	0	0	0	0	115	W1051 A1057 D1061	W1051-S1059 WeakPolarHBondContact CZ2-OG 3.48Å; A1057-S1059 VanDerWaalsContact C-N 3.32Å; A1057-S1059 PolarHBondContact O-N 3.32Å; S1059-D1061 VanDerWaalsContact C-N 3.33Å
1060	S	50.3	Low	66	Low	91 Å²	91	73 Å²	73	64%	0.636	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.6	169.5	50.7	0	0	0	0	113.9	T1058	T1058-S1060 PolarHBondContact O-N 2.85Å
1061	D	54.7	Low	66.9	Low	121 Å²	121	72.7 Å²	72.7	65%	0.647	39%	0.392	S	S	*	.	S	Bend	trans	-97.4	-13.5	-161.6	-51.9	-21.8	0	0	0	112.9	T1058 S1059 Q1063	T1058-D1061 WeakPolarHBondContact CB-OD2 3.23Å; T1058-D1061 PolarHBondContact O-N 3.18Å; T1058-D1061 PolarHBondContact OG1-OD2 3.44Å; S1059-D1061 VanDerWaalsContact C-N 3.33Å; D1061-Q1063 PolarHBondContact O-N 3.06Å
1062	L	62	Low	68.2	Low	48 Å²	48	64.2 Å²	64.2	25%	0.251	36%	0.36	S	S	.	.			trans	-72.8	119.5	174	-73	169.8	0	0	0	110.4	V1046 K1047	V1046-L1062 HydrophobicContact CG1-CD1 4.42Å; K1047-L1062 WeakPolarHBondContact CE-O 3.24Å; K1047-L1062 PolarHBondContact NZ-O 3.33Å
1063	Q	63.8	Low	69.5	Low	200 Å²	200	64 Å²	64	94%	0.935	36%	0.358	S	S	*	.			trans	-98.9	107	172.4	-166	175.1	27.2	0	0	110.6	D1061	D1061-Q1063 PolarHBondContact O-N 3.06Å
1064	E	74.9	Confident	71.2	Confident	43 Å²	43	62.5 Å²	62.5	20%	0.201	35%	0.347	C	S	.	.			trans	-117.1	142.8	-179.8	-173.8	169.6	-119.7	0	0	111.4	S1045 V1046 K1047 L1066 Y1068	S1045-E1064 WeakPolarHBondContact CA-OE1 3.31Å; S1045-E1064 PolarHBondContact OG-OE2 3.44Å; V1046-E1064 PolarHBondContact N-OE1 2.98Å; K1047-E1064 HydrophobicContact CD-CB 4.23Å; K1047-E1064 HydrophobicContact CG-CB 4.15Å; K1047-E1064 PolarHBondContact N-OE2 3.42Å; E1064-L1066 PolarHBondContact O-N 3.11Å; E1064-Y1068 HydrophobicContact CG-CE1 4.09Å
1065	D	71.9	Confident	73.2	Confident	54 Å²	54	55 Å²	55	29%	0.289	31%	0.307	S	S	.	.			trans	-82.4	104.5	176.9	179.6	2.4	0	0	0	110.7	G1067 Y1068 K1110 R1158	D1065-G1067 PolarHBondContact O-N 2.95Å; D1065-G1067 PolarHBondContact OD1-N 3.35Å; D1065-Y1068 VanDerWaalsContact O-CD1 3.25Å; D1065-Y1068 WeakPolarHBondContact O-CD1 3.41Å; D1065-K1110 HydrophobicContact CB-CD 4.34Å; D1065-K1110 WeakPolarHBondContact OD2-CD 3.04Å; D1065-K1110 IonicContact OD2-NZ 3.99Å; D1065-K1110 PolarHBondContact OD2-NZ 3.47Å; D1065-R1158 IonicContact OD1-NH1 2.81Å
1066	L	80.3	Confident	75	Confident	63 Å²	63	54.6 Å²	54.6	33%	0.33	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-58.8	2.9	177.1	-56.7	175.6	0	0	0	114.8	E1064 Y1068 R1069 I1170	E1064-L1066 PolarHBondContact O-N 3.11Å; L1066-Y1068 HydrophobicContact CD2-CE1 4.31Å; L1066-Y1068 PolarHBondContact O-N 2.99Å; L1066-Y1068 VanDerWaalsContact O-N 3.1Å; L1066-R1069 PolarHBondContact O-N 3.4Å; L1066-R1069 VanDerWaalsContact O-N 3.12Å; L1066-I1170 HydrophobicContact CD1-CD1 3.9Å
1067	G	82.7	Confident	77.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.01	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-52.8	-21.9	173	0	0	0	0	0	115.4	D1065 T1070 R1111	D1065-G1067 PolarHBondContact O-N 2.95Å; D1065-G1067 PolarHBondContact OD1-N 3.35Å; G1067-T1070 WeakPolarHBondContact CA-OG1 3.36Å; G1067-T1070 WeakPolarHBondContact O-CB 3.36Å; G1067-T1070 PolarHBondContact O-N 3.27Å; G1067-T1070 PolarHBondContact O-OG1 3.2Å; G1067-R1111 PolarHBondContact O-NE 3.15Å
1068	Y	87	Confident	79.6	Confident	9 Å²	9	54.4 Å²	54.4	4%	0.035	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69.4	-31.5	175.7	66.3	-96.1	0	0	0	113.2	S1045 E1048 E1064 D1065 L1066 T1070 F1089 Y1113	S1045-Y1068 PolarHBondContact OG-OH 3.46Å; E1048-Y1068 VanDerWaalsContact OE1-CE2 3.23Å; E1048-Y1068 WeakPolarHBondContact OE1-CE2 3.41Å; E1048-Y1068 PolarHBondContact OE1-OH 3.47Å; E1064-Y1068 HydrophobicContact CG-CE1 4.09Å; D1065-Y1068 VanDerWaalsContact O-CD1 3.25Å; D1065-Y1068 WeakPolarHBondContact O-CD1 3.41Å; L1066-Y1068 HydrophobicContact CD2-CE1 4.31Å; L1066-Y1068 PolarHBondContact O-N 2.99Å; L1066-Y1068 VanDerWaalsContact O-N 3.1Å; Y1068-T1070 VanDerWaalsContact C-N 3.29Å; Y1068-T1070 PolarHBondContact O-N 3.21Å; Y1068-F1089 HydrophobicContact CD2-CB 4.1Å; Y1068-F1089 AromaticContact CD2-CD1 3.5Å; Y1068-F1089 HydrophobicContact CD2-CD1 3.5Å; Y1068-F1089 HydrophobicContact CD2-CE1 4.12Å; Y1068-F1089 AromaticContact CD2-CG 3.77Å; Y1068-F1089 HydrophobicContact CD2-CG 3.77Å; Y1068-F1089 HydrophobicContact CE2-CB 3.9Å; Y1068-F1089 HydrophobicContact CE2-CD1 4.03Å; Y1068-F1089 HydrophobicContact CE2-CD2 4.35Å; Y1068-F1089 AromaticContact CE2-CG 3.8Å; Y1068-F1089 HydrophobicContact CE2-CG 3.8Å; Y1068-Y1113 VanDerWaalsContact O-CE1 3.28Å; Y1068-Y1113 WeakPolarHBondContact O-CE1 3.46Å; Y1068-Y1113 PolarHBondContact O-OH 2.67Å
1069	R	90.3	Very high	81.9	Confident	75 Å²	75	50 Å²	50	28%	0.283	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-79.6	-7.1	173.3	-85.6	175.5	178.1	-91.8	1.9	113.7	E1048 L1066 K1073 F1089	E1048-R1069 VanDerWaalsContact CD-NH2 3.26Å; E1048-R1069 IonicContact OE1-CZ 2.83Å; E1048-R1069 IonicContact OE1-NE 3.81Å; E1048-R1069 PolarHBondContact OE1-NE 2.94Å; E1048-R1069 IonicContact OE1-NH2 3.8Å; E1048-R1069 PolarHBondContact OE1-NH2 2.93Å; E1048-R1069 IonicContact OE2-CZ 3.56Å; E1048-R1069 IonicContact OE2-NE 3.5Å; E1048-R1069 IonicContact OE2-NH2 3.59Å; E1048-R1069 PolarHBondContact OE2-NH2 2.97Å; L1066-R1069 PolarHBondContact O-N 3.4Å; L1066-R1069 VanDerWaalsContact O-N 3.12Å; R1069-K1073 WeakPolarHBondContact O-CB 3.42Å; R1069-K1073 VanDerWaalsContact O-CG 3.3Å; R1069-K1073 WeakPolarHBondContact O-CG 3.44Å; R1069-K1073 PolarHBondContact O-N 3.33Å; R1069-K1073 VanDerWaalsContact O-N 3.12Å; R1069-F1089 HydrophobicContact CG-CD2 4.14Å; R1069-F1089 HydrophobicContact CG-CE1 4.3Å; R1069-F1089 HydrophobicContact CG-CE2 3.8Å; R1069-F1089 HydrophobicContact CG-CZ 3.89Å
1070	T	91.1	Very high	83.9	Confident	26 Å²	26	50.1 Å²	50.1	16%	0.16	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-46	-171.7	-53.2	0	0	0	0	112.8	G1067 Y1068 K1073 I1074 L1151 L1154	G1067-T1070 WeakPolarHBondContact CA-OG1 3.36Å; G1067-T1070 WeakPolarHBondContact O-CB 3.36Å; G1067-T1070 PolarHBondContact O-N 3.27Å; G1067-T1070 PolarHBondContact O-OG1 3.2Å; Y1068-T1070 VanDerWaalsContact C-N 3.29Å; Y1068-T1070 PolarHBondContact O-N 3.21Å; T1070-K1073 PolarHBondContact O-N 3.22Å; T1070-I1074 HydrophobicContact CG2-CD1 4.16Å; T1070-I1074 VanDerWaalsContact O-CG1 3.31Å; T1070-I1074 WeakPolarHBondContact O-CG1 3.5Å; T1070-I1074 PolarHBondContact O-N 3.21Å; T1070-I1074 VanDerWaalsContact O-N 3.1Å; T1070-L1151 HydrophobicContact CG2-CD1 3.6Å; T1070-L1154 HydrophobicContact CG2-CD1 4.28Å
1071	L	94.5	Very high	86.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-46.1	-177.3	-174.8	65.2	0	0	0	112.4	V1026 K1073 I1074 L1075 Y1113 F1144 A1147 M1148	V1026-L1071 HydrophobicContact CG1-CD2 4.24Å; L1071-K1073 VanDerWaalsContact C-N 3.34Å; L1071-K1073 PolarHBondContact O-N 3.46Å; L1071-I1074 PolarHBondContact O-N 2.83Å; L1071-I1074 VanDerWaalsContact O-N 3.16Å; L1071-L1075 HydrophobicContact CG-CD1 4.36Å; L1071-L1075 WeakPolarHBondContact O-CG 3.44Å; L1071-L1075 PolarHBondContact O-N 2.94Å; L1071-Y1113 HydrophobicContact CB-CE2 4.16Å; L1071-Y1113 HydrophobicContact CD2-CD2 4.3Å; L1071-Y1113 HydrophobicContact CD2-CE2 3.75Å; L1071-F1144 HydrophobicContact CD2-CD2 4.45Å; L1071-F1144 HydrophobicContact CD2-CE2 3.67Å; L1071-F1144 HydrophobicContact CD2-CZ 4.09Å; L1071-A1147 HydrophobicContact CD1-CB 3.64Å; L1071-M1148 HydrophobicContact CD1-CG 4.42Å; L1071-M1148 HydrophobicContact CD1-SD 3.78Å; L1071-M1148 HydrophobicContact CD2-SD 3.72Å; L1071-M1148 HydrophobicContact CG-SD 4.42Å
1072	P	95.8	Very high	88.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-42.2	170.3	-29	36.7	0	0	0	114	M1041 I1074 L1075 S1076 F1082 L1084 F1089 Y1113	M1041-P1072 HydrophobicContact CB-CG 4.28Å; M1041-P1072 HydrophobicContact SD-CG 3.9Å; P1072-I1074 PolarHBondContact O-N 3.38Å; P1072-L1075 PolarHBondContact O-N 3.08Å; P1072-S1076 PolarHBondContact O-N 2.87Å; P1072-S1076 PolarHBondContact O-OG 3.49Å; P1072-F1082 HydrophobicContact CB-CE1 4.1Å; P1072-F1082 HydrophobicContact CB-CZ 3.96Å; P1072-F1082 WeakPolarHBondContact O-CE1 3.47Å; P1072-L1084 HydrophobicContact CB-CD1 3.67Å; P1072-F1089 HydrophobicContact CB-CZ 4.16Å; P1072-F1089 HydrophobicContact CG-CE1 3.93Å; P1072-F1089 HydrophobicContact CG-CZ 3.82Å; P1072-Y1113 HydrophobicContact CG-CE1 4.29Å
1073	K	95.1	Very high	89.7	Confident	53 Å²	53	38.2 Å²	38.2	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-43.6	175.2	-80.8	-173.4	173.6	-162.9	0	111.9	R1069 T1070 L1071 S1076 Q1077 L1084	R1069-K1073 WeakPolarHBondContact O-CB 3.42Å; R1069-K1073 VanDerWaalsContact O-CG 3.3Å; R1069-K1073 WeakPolarHBondContact O-CG 3.44Å; R1069-K1073 PolarHBondContact O-N 3.33Å; R1069-K1073 VanDerWaalsContact O-N 3.12Å; T1070-K1073 PolarHBondContact O-N 3.22Å; L1071-K1073 VanDerWaalsContact C-N 3.34Å; L1071-K1073 PolarHBondContact O-N 3.46Å; K1073-S1076 PolarHBondContact O-OG 3.12Å; K1073-Q1077 WeakPolarHBondContact O-CG 3.27Å; K1073-L1084 HydrophobicContact CG-CD2 4.04Å
1074	I	96.3	Very high	91.2	Very high	7 Å²	7	31 Å²	31	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-43.4	175.3	-64.2	163.1	0	0	0	111	T1070 L1071 P1072 S1076 Q1077 I1078 A1147 R1150 L1151 L1154	T1070-I1074 HydrophobicContact CG2-CD1 4.16Å; T1070-I1074 VanDerWaalsContact O-CG1 3.31Å; T1070-I1074 WeakPolarHBondContact O-CG1 3.5Å; T1070-I1074 PolarHBondContact O-N 3.21Å; T1070-I1074 VanDerWaalsContact O-N 3.1Å; L1071-I1074 PolarHBondContact O-N 2.83Å; L1071-I1074 VanDerWaalsContact O-N 3.16Å; P1072-I1074 PolarHBondContact O-N 3.38Å; I1074-S1076 PolarHBondContact O-N 3.47Å; I1074-Q1077 WeakPolarHBondContact O-CB 3.32Å; I1074-Q1077 PolarHBondContact O-N 3.29Å; I1074-Q1077 VanDerWaalsContact O-N 3.12Å; I1074-I1078 HydrophobicContact CG2-CD1 4.23Å; I1074-I1078 PolarHBondContact O-N 3.18Å; I1074-A1147 HydrophobicContact CB-CB 4.33Å; I1074-A1147 HydrophobicContact CG2-CB 3.65Å; I1074-R1150 HydrophobicContact CD1-CB 4.24Å; I1074-R1150 HydrophobicContact CG2-CB 3.97Å; I1074-R1150 HydrophobicContact CG2-CG 4.43Å; I1074-L1151 HydrophobicContact CD1-CB 4.19Å; I1074-L1151 HydrophobicContact CD1-CD1 4.47Å; I1074-L1154 HydrophobicContact CD1-CD1 4.06Å; I1074-L1154 HydrophobicContact CG1-CD1 4.36Å
1075	L	97.2	Very high	91.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-44.5	-178.8	-73.3	169	0	0	0	112	M1041 L1071 P1072 Q1077 I1078 A1079 F1082 M1140 F1144 A1147	M1041-L1075 HydrophobicContact CE-CD1 3.4Å; M1041-L1075 HydrophobicContact SD-CD1 3.82Å; L1071-L1075 HydrophobicContact CG-CD1 4.36Å; L1071-L1075 WeakPolarHBondContact O-CG 3.44Å; L1071-L1075 PolarHBondContact O-N 2.94Å; P1072-L1075 PolarHBondContact O-N 3.08Å; L1075-Q1077 PolarHBondContact O-N 3.24Å; L1075-I1078 PolarHBondContact O-N 3.14Å; L1075-A1079 HydrophobicContact CB-CB 4.48Å; L1075-A1079 HydrophobicContact CD2-CB 4.13Å; L1075-A1079 WeakPolarHBondContact O-CB 3.48Å; L1075-A1079 PolarHBondContact O-N 3.03Å; L1075-F1082 HydrophobicContact CB-CB 4.29Å; L1075-F1082 HydrophobicContact CB-CD1 3.65Å; L1075-F1082 HydrophobicContact CB-CD2 3.96Å; L1075-F1082 HydrophobicContact CB-CE1 3.91Å; L1075-F1082 HydrophobicContact CB-CE2 4.19Å; L1075-F1082 HydrophobicContact CB-CG 3.67Å; L1075-F1082 HydrophobicContact CB-CZ 4.18Å; L1075-F1082 HydrophobicContact CD1-CD2 4.11Å; L1075-F1082 HydrophobicContact CD1-CE2 3.85Å; L1075-F1082 HydrophobicContact CD1-CZ 4.2Å; L1075-M1140 HydrophobicContact CD1-CE 4.18Å; L1075-M1140 HydrophobicContact CD2-CE 3.87Å; L1075-F1144 HydrophobicContact CD1-CD2 4.35Å; L1075-A1147 HydrophobicContact CD2-CB 3.59Å; L1075-A1147 HydrophobicContact CG-CB 3.97Å
1076	S	95.9	Very high	92.8	Very high	52 Å²	52	31.2 Å²	31.2	36%	0.364	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.4	175.8	67.9	0	0	0	0	115.2	P1072 K1073 I1074	P1072-S1076 PolarHBondContact O-N 2.87Å; P1072-S1076 PolarHBondContact O-OG 3.49Å; K1073-S1076 PolarHBondContact O-OG 3.12Å; I1074-S1076 PolarHBondContact O-N 3.47Å
1077	Q	94.9	Very high	93.4	Very high	144 Å²	144	28.7 Å²	28.7	67%	0.673	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-13.1	174.4	-64.1	173.4	-6.4	0	0	113.9	K1073 I1074 L1075	K1073-Q1077 WeakPolarHBondContact O-CG 3.27Å; I1074-Q1077 WeakPolarHBondContact O-CB 3.32Å; I1074-Q1077 PolarHBondContact O-N 3.29Å; I1074-Q1077 VanDerWaalsContact O-N 3.12Å; L1075-Q1077 PolarHBondContact O-N 3.24Å
1078	I	95.1	Very high	93.8	Very high	22 Å²	22	29.2 Å²	29.2	11%	0.113	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	-29.4	-170.4	73.6	176.5	0	0	0	115.5	I1074 L1075 P1080 Q1143 V1146 A1147 R1150	I1074-I1078 HydrophobicContact CG2-CD1 4.23Å; I1074-I1078 PolarHBondContact O-N 3.18Å; L1075-I1078 PolarHBondContact O-N 3.14Å; I1078-P1080 VanDerWaalsContact O-CD 3.29Å; I1078-P1080 WeakPolarHBondContact O-CD 3.25Å; I1078-Q1143 HydrophobicContact CG1-CB 4.5Å; I1078-V1146 HydrophobicContact CD1-CB 4.12Å; I1078-V1146 HydrophobicContact CD1-CG1 3.88Å; I1078-A1147 HydrophobicContact CD1-CB 3.92Å; I1078-R1150 VanDerWaalsContact CG2-NH1 3.31Å
1079	A	95.9	Very high	94	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	16%	0.163	C	C	.	.			trans	-100.1	102.2	-175.3	0	0	0	0	0	108.6	L1075 A1081 F1082 M1140 Q1143	L1075-A1079 HydrophobicContact CB-CB 4.48Å; L1075-A1079 HydrophobicContact CD2-CB 4.13Å; L1075-A1079 WeakPolarHBondContact O-CB 3.48Å; L1075-A1079 PolarHBondContact O-N 3.03Å; A1079-A1081 PolarHBondContact O-N 3.41Å; A1079-A1081 VanDerWaalsContact O-N 3.08Å; A1079-F1082 HydrophobicContact CB-CB 3.81Å; A1079-F1082 WeakPolarHBondContact O-CB 3.44Å; A1079-F1082 PolarHBondContact O-N 2.98Å; A1079-M1140 HydrophobicContact CB-CE 4.13Å; A1079-M1140 HydrophobicContact CB-SD 3.81Å; A1079-Q1143 HydrophobicContact CB-CB 3.86Å; A1079-Q1143 HydrophobicContact CB-CG 4.33Å
1080	P	93.1	Very high	93.8	Very high	39 Å²	39	25.7 Å²	25.7	25%	0.253	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3	-165.4	-22.9	39.9	0	0	0	115	I1078 K1126 Y1127	I1078-P1080 VanDerWaalsContact O-CD 3.29Å; I1078-P1080 WeakPolarHBondContact O-CD 3.25Å; P1080-K1126 HydrophobicContact CB-CB 4.38Å; P1080-K1126 HydrophobicContact CB-CD 3.62Å; P1080-K1126 HydrophobicContact CB-CG 3.63Å; P1080-K1126 HydrophobicContact CG-CD 3.73Å; P1080-K1126 HydrophobicContact CG-CG 4.33Å; P1080-Y1127 HydrophobicContact CB-CD2 4.31Å; P1080-Y1127 HydrophobicContact CB-CE2 4.32Å
1081	A	95.2	Very high	93.5	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-3.1	168.4	0	0	0	0	0	112.8	N1038 V1039 A1079 Y1127	N1038-A1081 WeakPolarHBondContact CB-O 3.47Å; V1039-A1081 HydrophobicContact CG2-CB 4.16Å; V1039-A1081 PolarHBondContact N-O 2.94Å; A1079-A1081 PolarHBondContact O-N 3.41Å; A1079-A1081 VanDerWaalsContact O-N 3.08Å; A1081-Y1127 HydrophobicContact CB-CD2 4.21Å
1082	F	97.3	Very high	92.8	Very high	8 Å²	8	25 Å²	25	4%	0.035	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-92.2	125.3	-172.7	-170.9	-89.3	0	0	0	113.5	V1039 M1041 P1072 L1075 A1079 M1140	V1039-F1082 HydrophobicContact CB-CD2 4.48Å; V1039-F1082 HydrophobicContact CG1-CD2 4.23Å; V1039-F1082 CarbonylContact O-C 3.6Å; V1039-F1082 VanDerWaalsContact O-CA 3.29Å; V1039-F1082 WeakPolarHBondContact O-CA 3.26Å; M1041-F1082 HydrophobicContact CB-CE2 4.39Å; M1041-F1082 HydrophobicContact CB-CZ 4.23Å; M1041-F1082 HydrophobicContact CE-CE2 4.47Å; M1041-F1082 HydrophobicContact CG-CE2 3.94Å; M1041-F1082 HydrophobicContact CG-CZ 4.18Å; M1041-F1082 HydrophobicContact SD-CE2 4.15Å; M1041-F1082 HydrophobicContact SD-CZ 4.22Å; P1072-F1082 HydrophobicContact CB-CE1 4.1Å; P1072-F1082 HydrophobicContact CB-CZ 3.96Å; P1072-F1082 WeakPolarHBondContact O-CE1 3.47Å; L1075-F1082 HydrophobicContact CB-CB 4.29Å; L1075-F1082 HydrophobicContact CB-CD1 3.65Å; L1075-F1082 HydrophobicContact CB-CD2 3.96Å; L1075-F1082 HydrophobicContact CB-CE1 3.91Å; L1075-F1082 HydrophobicContact CB-CE2 4.19Å; L1075-F1082 HydrophobicContact CB-CG 3.67Å; L1075-F1082 HydrophobicContact CB-CZ 4.18Å; L1075-F1082 HydrophobicContact CD1-CD2 4.11Å; L1075-F1082 HydrophobicContact CD1-CE2 3.85Å; L1075-F1082 HydrophobicContact CD1-CZ 4.2Å; A1079-F1082 HydrophobicContact CB-CB 3.81Å; A1079-F1082 WeakPolarHBondContact O-CB 3.44Å; A1079-F1082 PolarHBondContact O-N 2.98Å; F1082-M1140 HydrophobicContact CB-CE 4.43Å; F1082-M1140 HydrophobicContact CB-SD 4.38Å; F1082-M1140 HydrophobicContact CD2-CE 3.75Å; F1082-M1140 HydrophobicContact CG-CE 4.47Å
1083	S	95.9	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.			trans	-102.3	110.1	177.4	-176.7	0	0	0	0	111.4	V1039 F1040 A1085 S1086 S1087 Q1124	V1039-S1083 PolarHBondContact O-N 3.44Å; F1040-S1083 WeakPolarHBondContact CB-O 3.2Å; S1083-A1085 VanDerWaalsContact C-N 3.31Å; S1083-S1086 WeakPolarHBondContact CB-OG 3.42Å; S1083-S1086 WeakPolarHBondContact OG-CB 3.43Å; S1083-S1086 PolarHBondContact OG-N 3.28Å; S1083-S1086 PolarHBondContact OG-OG 3.02Å; S1083-S1087 PolarHBondContact O-OG 3.08Å; S1083-Q1124 VanDerWaalsContact CB-NE2 3.34Å; S1083-Q1124 PolarHBondContact OG-NE2 3.3Å; S1083-Q1124 VanDerWaalsContact OG-NE2 3.1Å
1084	L	94.1	Very high	91.1	Very high	48 Å²	48	28.8 Å²	28.8	25%	0.251	17%	0.165	S	C	.	.	S	Bend	trans	-72.4	-28	168.1	-173.4	62.6	0	0	0	111.9	P1072 K1073 S1086 S1087	P1072-L1084 HydrophobicContact CB-CD1 3.67Å; K1073-L1084 HydrophobicContact CG-CD2 4.04Å; L1084-S1086 VanDerWaalsContact C-N 3.34Å; L1084-S1087 WeakPolarHBondContact O-CB 3.5Å; L1084-S1087 PolarHBondContact O-N 3.47Å
1085	A	90.9	Very high	90.5	Very high	78 Å²	78	30.2 Å²	30.2	65%	0.645	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-33.9	179.1	0	0	0	0	0	112.4	S1083 S1087	S1083-A1085 VanDerWaalsContact C-N 3.31Å; A1085-S1087 VanDerWaalsContact C-N 3.3Å
1086	S	90.1	Very high	90	Very high	24 Å²	24	32.5 Å²	32.5	17%	0.168	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.5	176.4	-43.9	0	0	0	0	113.3	F1040 S1083 L1084	F1040-S1086 WeakPolarHBondContact CD2-O 3.39Å; S1083-S1086 WeakPolarHBondContact CB-OG 3.42Å; S1083-S1086 WeakPolarHBondContact OG-CB 3.43Å; S1083-S1086 PolarHBondContact OG-N 3.28Å; S1083-S1086 PolarHBondContact OG-OG 3.02Å; L1084-S1086 VanDerWaalsContact C-N 3.34Å
1087	S	93.3	Very high	89.8	Confident	10 Å²	10	31 Å²	31	7%	0.07	17%	0.17	C	C	.	.			trans	-94.4	126.4	-179	-63.7	0	0	0	0	111.2	M1041 S1083 L1084 A1085	M1041-S1087 PolarHBondContact N-OG 2.96Å; M1041-S1087 CarbonylContact O-C 3.51Å; M1041-S1087 WeakPolarHBondContact O-CA 3.21Å; M1041-S1087 WeakPolarHBondContact O-CB 3.29Å; S1083-S1087 PolarHBondContact O-OG 3.08Å; L1084-S1087 WeakPolarHBondContact O-CB 3.5Å; L1084-S1087 PolarHBondContact O-N 3.47Å; A1085-S1087 VanDerWaalsContact C-N 3.3Å
1088	S	90.4	Very high	89.8	Confident	12 Å²	12	24.3 Å²	24.3	8%	0.084	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-120.3	150.6	-179.5	176.8	0	0	0	0	112	M1041 Y1042 G1043 V1090	M1041-S1088 PolarHBondContact O-N 2.98Å; Y1042-S1088 CarbonylContact C-O 3.6Å; Y1042-S1088 VanDerWaalsContact CA-O 3.24Å; Y1042-S1088 WeakPolarHBondContact CA-O 3.25Å; G1043-S1088 PolarHBondContact N-O 3.26Å; S1088-V1090 PolarHBondContact OG-N 3.25Å
1089	F	91.7	Very high	89.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.			trans	-119.7	12.7	180	-51.7	-89.8	0	0	0	112.3	G1043 C1044 S1045 E1048 Y1068 R1069 P1072 Y1113	G1043-F1089 CarbonylContact O-C 3.58Å; C1044-F1089 CarbonylContact C-O 3.52Å; C1044-F1089 WeakPolarHBondContact CA-O 3.37Å; S1045-F1089 PolarHBondContact N-O 3.23Å; E1048-F1089 WeakPolarHBondContact OE2-CD2 3.43Å; Y1068-F1089 HydrophobicContact CD2-CB 4.1Å; Y1068-F1089 AromaticContact CD2-CD1 3.5Å; Y1068-F1089 HydrophobicContact CD2-CD1 3.5Å; Y1068-F1089 HydrophobicContact CD2-CE1 4.12Å; Y1068-F1089 AromaticContact CD2-CG 3.77Å; Y1068-F1089 HydrophobicContact CD2-CG 3.77Å; Y1068-F1089 HydrophobicContact CE2-CB 3.9Å; Y1068-F1089 HydrophobicContact CE2-CD1 4.03Å; Y1068-F1089 HydrophobicContact CE2-CD2 4.35Å; Y1068-F1089 AromaticContact CE2-CG 3.8Å; Y1068-F1089 HydrophobicContact CE2-CG 3.8Å; R1069-F1089 HydrophobicContact CG-CD2 4.14Å; R1069-F1089 HydrophobicContact CG-CE1 4.3Å; R1069-F1089 HydrophobicContact CG-CE2 3.8Å; R1069-F1089 HydrophobicContact CG-CZ 3.89Å; P1072-F1089 HydrophobicContact CB-CZ 4.16Å; P1072-F1089 HydrophobicContact CG-CE1 3.93Å; P1072-F1089 HydrophobicContact CG-CZ 3.82Å; F1089-Y1113 HydrophobicContact CE1-CE1 4.39Å
1090	V	86.1	Confident	89.9	Confident	10 Å²	10	23.4 Å²	23.4	6%	0.061	13%	0.134	C	C	.	.			trans	-72.3	139.4	177.1	178.8	0	0	0	0	110.5	T1049 Q1052 S1088 E1092 R1100	T1049-V1090 HydrophobicContact CG2-CG1 4.4Å; Q1052-V1090 VanDerWaalsContact OE1-CG1 3.28Å; Q1052-V1090 VanDerWaalsContact OE1-CG2 3.27Å; S1088-V1090 PolarHBondContact OG-N 3.25Å; V1090-E1092 HydrophobicContact CG1-CG 3.87Å; V1090-R1100 PolarHBondContact O-NH1 2.57Å
1091	V	84.9	Confident	89.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.			trans	-106.6	93.7	173.8	-179.4	0	0	0	0	108.7	L406 C1044 T1049 V1101 W1104	L406-V1091 HydrophobicContact CD2-CB 4.2Å; L406-V1091 HydrophobicContact CD2-CG1 4.23Å; C1044-V1091 HydrophobicContact CB-CG2 3.71Å; T1049-V1091 WeakPolarHBondContact CG2-O 3.27Å; T1049-V1091 PolarHBondContact OG1-N 3.5Å; V1091-V1101 HydrophobicContact CG1-CG1 3.74Å; V1091-V1101 HydrophobicContact CG1-CG2 3.9Å; V1091-W1104 HydrophobicContact CG2-CH2 4.4Å; V1091-W1104 HydrophobicContact CG2-CZ3 4.14Å
1092	E	80.7	Confident	89.8	Confident	11 Å²	11	21.4 Å²	21.4	5%	0.051	12%	0.121	C	C	.	.			trans	-83.2	150.9	178.3	-59.6	175.9	-171.1	0	0	111.8	V1090 S1094 K1095 E1096 T1184 Y1185	V1090-E1092 HydrophobicContact CG1-CG 3.87Å; E1092-S1094 VanDerWaalsContact C-N 3.34Å; E1092-S1094 PolarHBondContact O-N 3.36Å; E1092-K1095 PolarHBondContact O-N 2.84Å; E1092-E1096 PolarHBondContact O-N 2.98Å; E1092-T1184 HydrophobicContact CG-CG2 4.49Å; E1092-T1184 WeakPolarHBondContact OE1-CA 3.43Å; E1092-T1184 VanDerWaalsContact OE1-CB 3.29Å; E1092-T1184 WeakPolarHBondContact OE1-CB 3.44Å; E1092-T1184 WeakPolarHBondContact OE1-CG2 3.39Å; E1092-T1184 PolarHBondContact OE1-N 3.47Å; E1092-T1184 PolarHBondContact OE1-OG1 3.49Å; E1092-T1184 PolarHBondContact OE2-OG1 3.25Å; E1092-Y1185 VanDerWaalsContact CD-CE2 3.48Å; E1092-Y1185 WeakPolarHBondContact OE2-CE2 3.36Å; E1092-Y1185 PolarHBondContact OE2-OH 2.95Å
1093	R	77.8	Confident	89.8	Confident	102 Å²	102	21.1 Å²	21.1	39%	0.385	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-55.4	-43.9	-178.3	-175.1	172.9	174.3	-168.4	-8.3	113.8	D398 I399 E400 K1095 E1096	D398-R1093 WeakPolarHBondContact OD1-CD 3.38Å; D398-R1093 WeakPolarHBondContact OD2-CD 3.31Å; D398-R1093 IonicContact OD2-CZ 3.49Å; D398-R1093 IonicContact OD2-NE 3.28Å; D398-R1093 IonicContact OD2-NH1 3.46Å; D398-R1093 PolarHBondContact OD2-NH1 3.29Å; I399-R1093 HydrophobicContact CG2-CB 3.7Å; I399-R1093 HydrophobicContact CG2-CG 3.92Å; E400-R1093 PolarHBondContact OE1-N 3.05Å; R1093-K1095 PolarHBondContact O-N 3.02Å; R1093-E1096 PolarHBondContact O-N 3.39Å
1094	S	76.6	Confident	89.7	Confident	30 Å²	30	21.8 Å²	21.8	21%	0.21	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-65.9	-2.5	179.7	68.8	0	0	0	0	114.7	E1092 Y1185	E1092-S1094 VanDerWaalsContact C-N 3.34Å; E1092-S1094 PolarHBondContact O-N 3.36Å; S1094-Y1185 PolarHBondContact OG-OH 2.89Å
1095	K	84.4	Confident	89.4	Confident	37 Å²	37	20.7 Å²	20.7	16%	0.161	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-125.1	8.4	-178.8	-50.3	-60.5	152.6	-132.9	0	113	D389 E1092 R1093 S1097 T1098 V1101	D389-K1095 IonicContact OD2-NZ 2.69Å; D389-K1095 PolarHBondContact OD2-NZ 2.66Å; E1092-K1095 PolarHBondContact O-N 2.84Å; R1093-K1095 PolarHBondContact O-N 3.02Å; K1095-S1097 PolarHBondContact O-N 3.32Å; K1095-T1098 HydrophobicContact CB-CG2 3.92Å; K1095-T1098 HydrophobicContact CD-CG2 4.22Å; K1095-T1098 WeakPolarHBondContact O-CB 3.29Å; K1095-T1098 WeakPolarHBondContact O-CG2 3.39Å; K1095-T1098 PolarHBondContact O-N 3.33Å; K1095-T1098 VanDerWaalsContact O-N 3.14Å; K1095-T1098 PolarHBondContact O-OG1 3.17Å; K1095-V1101 VanDerWaalsContact O-CG2 3.32Å; K1095-V1101 WeakPolarHBondContact O-CG2 3.33Å
1096	E	86.5	Confident	89.4	Confident	49 Å²	49	18.5 Å²	18.5	23%	0.229	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.3	-175.5	78.5	158.3	125.8	0	0	114.3	I399 E1092 R1093 V1101 R1105	I399-E1096 HydrophobicContact CD1-CB 4.23Å; E1092-E1096 PolarHBondContact O-N 2.98Å; R1093-E1096 PolarHBondContact O-N 3.39Å; E1096-V1101 WeakPolarHBondContact O-CG1 3.48Å; E1096-R1105 PolarHBondContact O-NH2 3.13Å; E1096-R1105 IonicContact OE2-CZ 3.57Å; E1096-R1105 IonicContact OE2-NH1 2.69Å; E1096-R1105 PolarHBondContact OE2-NH1 3.43Å; E1096-R1105 IonicContact OE2-NH2 3.41Å; E1096-R1105 PolarHBondContact OE2-NH2 3.46Å
1097	S	90.4	Very high	89.6	Confident	19 Å²	19	17.7 Å²	17.7	13%	0.133	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.2	-179.8	66.2	0	0	0	0	113.9	R994 W996 K1095	R994-S1097 CarbonylContact C-O 3.56Å; R994-S1097 WeakPolarHBondContact CA-OG 3.43Å; R994-S1097 WeakPolarHBondContact O-CB 3.47Å; R994-S1097 PolarHBondContact O-OG 2.98Å; W996-S1097 WeakPolarHBondContact CB-O 3.26Å; W996-S1097 PolarHBondContact N-O 3.08Å; K1095-S1097 PolarHBondContact O-N 3.32Å
1098	T	95.2	Very high	89.4	Confident	5 Å²	5	18.4 Å²	18.4	3%	0.031	9%	0.093	C	C	.	.	S	Bend	trans	-80.1	157.6	175	63.4	0	0	0	0	112.5	N993 K1095 R1100 V1101 V1102	N993-T1098 WeakPolarHBondContact O-CA 3.32Å; N993-T1098 WeakPolarHBondContact O-CG2 3.48Å; N993-T1098 WeakPolarHBondContact OD1-CA 3.49Å; N993-T1098 WeakPolarHBondContact OD1-CB 3.4Å; K1095-T1098 HydrophobicContact CB-CG2 3.92Å; K1095-T1098 HydrophobicContact CD-CG2 4.22Å; K1095-T1098 WeakPolarHBondContact O-CB 3.29Å; K1095-T1098 WeakPolarHBondContact O-CG2 3.39Å; K1095-T1098 PolarHBondContact O-N 3.33Å; K1095-T1098 VanDerWaalsContact O-N 3.14Å; K1095-T1098 PolarHBondContact O-OG1 3.17Å; T1098-R1100 VanDerWaalsContact C-N 3.32Å; T1098-R1100 PolarHBondContact O-N 2.89Å; T1098-V1101 PolarHBondContact O-N 3.01Å; T1098-V1101 VanDerWaalsContact O-N 3.16Å; T1098-V1102 PolarHBondContact O-N 2.79Å
1099	A	97.1	Very high	89.5	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-48.9	-49.5	178	0	0	0	0	0	112.9	N993 W996 F1027 D1029 V1101 V1103	N993-A1099 PolarHBondContact OD1-N 2.97Å; W996-A1099 HydrophobicContact CD2-CB 3.76Å; W996-A1099 HydrophobicContact CE3-CB 4.27Å; W996-A1099 HydrophobicContact CG-CB 4.18Å; W996-A1099 HydrophobicContact CH2-CB 4.12Å; W996-A1099 HydrophobicContact CZ2-CB 3.61Å; W996-A1099 HydrophobicContact CZ3-CB 4.44Å; F1027-A1099 HydrophobicContact CE1-CB 3.95Å; F1027-A1099 HydrophobicContact CZ-CB 3.98Å; D1029-A1099 HydrophobicContact CB-CB 4.46Å; A1099-V1101 VanDerWaalsContact C-N 3.33Å; A1099-V1101 PolarHBondContact O-N 3.21Å; A1099-V1103 VanDerWaalsContact O-CB 3.32Å; A1099-V1103 WeakPolarHBondContact O-CB 3.11Å; A1099-V1103 VanDerWaalsContact O-CG2 3.25Å; A1099-V1103 WeakPolarHBondContact O-CG2 3.36Å; A1099-V1103 PolarHBondContact O-N 3.38Å
1100	R	95.4	Very high	89.4	Confident	7 Å²	7	23.6 Å²	23.6	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-42.4	-177.2	70.5	173.1	169.2	116.9	-1.1	112.2	Y1042 G1043 V1090 T1098 W1104 S1112	Y1042-R1100 WeakPolarHBondContact O-CD 3.2Å; G1043-R1100 PolarHBondContact O-NH1 2.82Å; V1090-R1100 PolarHBondContact O-NH1 2.57Å; T1098-R1100 VanDerWaalsContact C-N 3.32Å; T1098-R1100 PolarHBondContact O-N 2.89Å; R1100-W1104 VanDerWaalsContact O-CB 3.25Å; R1100-W1104 WeakPolarHBondContact O-CB 3.17Å; R1100-W1104 PolarHBondContact O-N 3.46Å; R1100-S1112 WeakPolarHBondContact CA-OG 3.38Å; R1100-S1112 VanDerWaalsContact O-CB 3.3Å; R1100-S1112 WeakPolarHBondContact O-CB 3.3Å; R1100-S1112 PolarHBondContact O-OG 3.44Å
1101	V	93.8	Very high	89.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-77.3	-46.2	-174.7	-177	0	0	0	0	110.9	V1091 K1095 E1096 T1098 A1099 V1103 W1104 R1105	V1091-V1101 HydrophobicContact CG1-CG1 3.74Å; V1091-V1101 HydrophobicContact CG1-CG2 3.9Å; K1095-V1101 VanDerWaalsContact O-CG2 3.32Å; K1095-V1101 WeakPolarHBondContact O-CG2 3.33Å; E1096-V1101 WeakPolarHBondContact O-CG1 3.48Å; T1098-V1101 PolarHBondContact O-N 3.01Å; T1098-V1101 VanDerWaalsContact O-N 3.16Å; A1099-V1101 VanDerWaalsContact C-N 3.33Å; A1099-V1101 PolarHBondContact O-N 3.21Å; V1101-V1103 PolarHBondContact O-N 2.99Å; V1101-W1104 PolarHBondContact O-N 3.23Å; V1101-R1105 WeakPolarHBondContact O-CB 3.35Å; V1101-R1105 PolarHBondContact O-N 2.89Å
1102	V	94.1	Very high	90.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-46.3	178.3	168.1	0	0	0	0	111.4	W996 Q997 K1011 T1098 W1104 R1105 E1106	W996-V1102 HydrophobicContact CB-CB 4Å; W996-V1102 HydrophobicContact CB-CG1 4.19Å; W996-V1102 HydrophobicContact CB-CG2 3.8Å; W996-V1102 WeakPolarHBondContact O-CG1 3.31Å; Q997-V1102 HydrophobicContact CB-CG2 4.39Å; K1011-V1102 HydrophobicContact CD-CG1 4.31Å; T1098-V1102 PolarHBondContact O-N 2.79Å; V1102-W1104 VanDerWaalsContact C-N 3.28Å; V1102-W1104 PolarHBondContact O-N 3.15Å; V1102-R1105 PolarHBondContact O-N 3.44Å; V1102-E1106 WeakPolarHBondContact O-CB 3.31Å; V1102-E1106 PolarHBondContact O-N 3.21Å
1103	V	95.8	Very high	91.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-71.9	-23.6	-178.5	-179.3	0	0	0	0	112.2	W996 L1014 F1027 A1099 V1101 I1107 G1108 V1109	W996-V1103 HydrophobicContact CE3-CG2 4.04Å; W996-V1103 HydrophobicContact CZ3-CG2 3.75Å; L1014-V1103 HydrophobicContact CD1-CG1 4.19Å; L1014-V1103 HydrophobicContact CD1-CG2 3.71Å; F1027-V1103 HydrophobicContact CB-CG1 3.73Å; F1027-V1103 HydrophobicContact CD1-CB 4.13Å; F1027-V1103 HydrophobicContact CD1-CG1 4.05Å; F1027-V1103 HydrophobicContact CD1-CG2 4.43Å; F1027-V1103 HydrophobicContact CD2-CG1 3.99Å; F1027-V1103 HydrophobicContact CD2-CG2 4.45Å; F1027-V1103 HydrophobicContact CE1-CB 4.45Å; F1027-V1103 HydrophobicContact CE1-CG2 4.33Å; F1027-V1103 HydrophobicContact CE2-CG2 4.36Å; F1027-V1103 HydrophobicContact CG-CB 4.21Å; F1027-V1103 HydrophobicContact CG-CG1 3.64Å; F1027-V1103 HydrophobicContact CG-CG2 4.5Å; F1027-V1103 HydrophobicContact CZ-CG2 4.31Å; A1099-V1103 VanDerWaalsContact O-CB 3.32Å; A1099-V1103 WeakPolarHBondContact O-CB 3.11Å; A1099-V1103 VanDerWaalsContact O-CG2 3.25Å; A1099-V1103 WeakPolarHBondContact O-CG2 3.36Å; A1099-V1103 PolarHBondContact O-N 3.38Å; V1101-V1103 PolarHBondContact O-N 2.99Å; V1103-I1107 HydrophobicContact CG1-CB 4.31Å; V1103-I1107 HydrophobicContact CG1-CG1 4.41Å; V1103-I1107 WeakPolarHBondContact O-CB 3.36Å; V1103-G1108 PolarHBondContact O-N 2.95Å; V1103-V1109 HydrophobicContact CG1-CB 3.96Å; V1103-V1109 HydrophobicContact CG1-CG2 3.75Å; V1103-V1109 WeakPolarHBondContact O-CB 3.35Å; V1103-V1109 PolarHBondContact O-N 3.1Å
1104	W	93.4	Very high	92.1	Very high	15 Å²	15	19.1 Å²	19.1	6%	0.057	10%	0.097	C	C	.	.	H	α-helix	trans	-76.3	-49.7	168.7	174.3	77.9	0	0	0	112.7	L406 P408 C1044 V1046 V1091 R1100 V1101 V1102 G1108	L406-W1104 WeakPolarHBondContact O-CH2 3.43Å; L406-W1104 WeakPolarHBondContact O-CZ3 3.48Å; P408-W1104 HydrophobicContact CG-CD2 4.34Å; P408-W1104 HydrophobicContact CG-CZ2 4.17Å; C1044-W1104 HydrophobicContact CB-CB 4.14Å; C1044-W1104 HydrophobicContact CB-CD2 3.35Å; C1044-W1104 VanDerWaalsContact CB-CE2 3.49Å; C1044-W1104 HydrophobicContact CB-CE3 3.76Å; C1044-W1104 HydrophobicContact CB-CG 3.56Å; C1044-W1104 HydrophobicContact CB-CH2 4.33Å; C1044-W1104 HydrophobicContact CB-CZ2 3.99Å; C1044-W1104 HydrophobicContact CB-CZ3 4.23Å; V1046-W1104 HydrophobicContact CG2-CH2 3.81Å; V1046-W1104 HydrophobicContact CG2-CZ2 3.85Å; V1091-W1104 HydrophobicContact CG2-CH2 4.4Å; V1091-W1104 HydrophobicContact CG2-CZ3 4.14Å; R1100-W1104 VanDerWaalsContact O-CB 3.25Å; R1100-W1104 WeakPolarHBondContact O-CB 3.17Å; R1100-W1104 PolarHBondContact O-N 3.46Å; V1101-W1104 PolarHBondContact O-N 3.23Å; V1102-W1104 VanDerWaalsContact C-N 3.28Å; V1102-W1104 PolarHBondContact O-N 3.15Å; W1104-G1108 VanDerWaalsContact O-CA 3.24Å; W1104-G1108 WeakPolarHBondContact O-CA 3.29Å; W1104-G1108 PolarHBondContact O-N 3.22Å
1105	R	89.8	Confident	93.2	Very high	24 Å²	24	17.8 Å²	17.8	9%	0.091	9%	0.087	C	C	.	.	H	α-helix	trans	-72.8	-51.1	-170.6	-175.2	169.3	65.9	-177.6	-0.6	112.8	K405 P408 N409 E1096 V1101 V1102	K405-R1105 WeakPolarHBondContact O-CD 3.4Å; P408-R1105 CarbonylContact C-O 3.57Å; P408-R1105 VanDerWaalsContact CA-O 3.28Å; P408-R1105 WeakPolarHBondContact CA-O 3.42Å; N409-R1105 PolarHBondContact N-O 3.3Å; E1096-R1105 PolarHBondContact O-NH2 3.13Å; E1096-R1105 IonicContact OE2-CZ 3.57Å; E1096-R1105 IonicContact OE2-NH1 2.69Å; E1096-R1105 PolarHBondContact OE2-NH1 3.43Å; E1096-R1105 IonicContact OE2-NH2 3.41Å; E1096-R1105 PolarHBondContact OE2-NH2 3.46Å; V1101-R1105 WeakPolarHBondContact O-CB 3.35Å; V1101-R1105 PolarHBondContact O-N 2.89Å; V1102-R1105 PolarHBondContact O-N 3.44Å
1106	E	90.9	Very high	93.8	Very high	32 Å²	32	17 Å²	17	15%	0.15	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-43.5	-170.1	-64.9	161.7	-138.9	0	0	112	K1011 V1102	K1011-E1106 VanDerWaalsContact CE-OE2 3.24Å; K1011-E1106 WeakPolarHBondContact CE-OE2 3.43Å; K1011-E1106 IonicContact NZ-OE1 2.7Å; K1011-E1106 IonicContact NZ-OE2 3.54Å; K1011-E1106 PolarHBondContact NZ-OE2 3.17Å; V1102-E1106 WeakPolarHBondContact O-CB 3.31Å; V1102-E1106 PolarHBondContact O-N 3.21Å
1107	I	92.4	Very high	94.4	Very high	8 Å²	8	14.7 Å²	14.7	4%	0.041	7%	0.074	C	C	.	.	S	Bend	trans	-83.6	-20	-179.7	-43.8	-58.4	0	0	0	111.4	L1014 Q1015 A1018 V1103 V1109	L1014-I1107 HydrophobicContact CB-CD1 4.31Å; L1014-I1107 HydrophobicContact CB-CG1 4.19Å; L1014-I1107 HydrophobicContact CB-CG2 4.1Å; L1014-I1107 WeakPolarHBondContact O-CG2 3.34Å; Q1015-I1107 HydrophobicContact CB-CD1 4.43Å; Q1015-I1107 HydrophobicContact CG-CD1 3.62Å; A1018-I1107 HydrophobicContact CB-CG2 3.92Å; V1103-I1107 HydrophobicContact CG1-CB 4.31Å; V1103-I1107 HydrophobicContact CG1-CG1 4.41Å; V1103-I1107 WeakPolarHBondContact O-CB 3.36Å; I1107-V1109 HydrophobicContact CB-CG2 4.39Å; I1107-V1109 HydrophobicContact CG2-CG2 4.02Å
1108	G	89.9	Confident	94.6	Very high	24 Å²	24	13.8 Å²	13.8	25%	0.247	7%	0.068	C	C	.	.			trans	80.9	17.6	176	0	0	0	0	0	115.2	V1103 W1104 K1110	V1103-G1108 PolarHBondContact O-N 2.95Å; W1104-G1108 VanDerWaalsContact O-CA 3.24Å; W1104-G1108 WeakPolarHBondContact O-CA 3.29Å; W1104-G1108 PolarHBondContact O-N 3.22Å; G1108-K1110 PolarHBondContact O-N 3.46Å
1109	V	92.9	Very high	94.5	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	7%	0.067	C	C	.	.			trans	-75.5	97.7	-179	-178.8	0	0	0	0	110.1	P1024 F1027 V1103 I1107 R1111 S1112	P1024-V1109 HydrophobicContact CB-CG2 4.42Å; P1024-V1109 HydrophobicContact CG-CG2 4.5Å; F1027-V1109 HydrophobicContact CB-CG1 3.91Å; V1103-V1109 HydrophobicContact CG1-CB 3.96Å; V1103-V1109 HydrophobicContact CG1-CG2 3.75Å; V1103-V1109 WeakPolarHBondContact O-CB 3.35Å; V1103-V1109 PolarHBondContact O-N 3.1Å; I1107-V1109 HydrophobicContact CB-CG2 4.39Å; I1107-V1109 HydrophobicContact CG2-CG2 4.02Å; V1109-R1111 PolarHBondContact O-N 3.06Å; V1109-S1112 WeakPolarHBondContact O-CB 3.46Å; V1109-S1112 PolarHBondContact O-N 3.02Å
1110	K	88.7	Confident	94.4	Very high	119 Å²	119	13.7 Å²	13.7	52%	0.517	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.9	179.9	-73.8	-177.3	166.3	-176.8	0	115.5	D1065 G1108	D1065-K1110 HydrophobicContact CB-CD 4.34Å; D1065-K1110 WeakPolarHBondContact OD2-CD 3.04Å; D1065-K1110 IonicContact OD2-NZ 3.99Å; D1065-K1110 PolarHBondContact OD2-NZ 3.47Å; G1108-K1110 PolarHBondContact O-N 3.46Å
1111	R	94.6	Very high	94.3	Very high	23 Å²	23	13.4 Å²	13.4	9%	0.087	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	62.6	179.4	-65.8	-171.5	-170.9	86.3	5	109.2	V1026 F1027 G1067 V1109 Y1113	V1026-R1111 CarbonylContact C-O 3.57Å; V1026-R1111 WeakPolarHBondContact CA-O 3.46Å; V1026-R1111 HydrophobicContact CB-CB 4.39Å; V1026-R1111 HydrophobicContact CG2-CB 3.81Å; V1026-R1111 HydrophobicContact CG2-CG 4.49Å; F1027-R1111 PolarHBondContact N-O 2.89Å; F1027-R1111 VanDerWaalsContact O-O 3.04Å; G1067-R1111 PolarHBondContact O-NE 3.15Å; V1109-R1111 PolarHBondContact O-N 3.06Å; R1111-Y1113 HydrophobicContact CB-CE2 3.72Å; R1111-Y1113 WeakPolarHBondContact CG-OH 3.44Å
1112	S	96.6	Very high	94.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.9	173.6	-166.9	0	0	0	0	108.3	F1027 R1100 V1109	F1027-S1112 WeakPolarHBondContact CD1-OG 3.45Å; F1027-S1112 WeakPolarHBondContact O-CA 3.49Å; R1100-S1112 WeakPolarHBondContact CA-OG 3.38Å; R1100-S1112 VanDerWaalsContact O-CB 3.3Å; R1100-S1112 WeakPolarHBondContact O-CB 3.3Å; R1100-S1112 PolarHBondContact O-OG 3.44Å; V1109-S1112 WeakPolarHBondContact O-CB 3.46Å; V1109-S1112 PolarHBondContact O-N 3.02Å
1113	Y	98.1	Very high	94.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.6	-177.3	-46.9	-74.6	0	0	0	112.5	V1026 F1027 C1028 D1029 M1041 Y1042 Y1068 L1071 P1072 F1089 R1111	V1026-Y1113 HydrophobicContact CG1-CD2 4.18Å; V1026-Y1113 HydrophobicContact CG1-CE2 4.11Å; F1027-Y1113 PolarHBondContact O-N 3.27Å; C1028-Y1113 WeakPolarHBondContact CA-O 3.32Å; D1029-Y1113 PolarHBondContact N-O 2.93Å; M1041-Y1113 HydrophobicContact SD-CG 4.33Å; Y1042-Y1113 CarbonylContact O-C 3.49Å; Y1042-Y1113 VanDerWaalsContact O-CA 3.25Å; Y1042-Y1113 WeakPolarHBondContact O-CA 3.43Å; Y1068-Y1113 VanDerWaalsContact O-CE1 3.28Å; Y1068-Y1113 WeakPolarHBondContact O-CE1 3.46Å; Y1068-Y1113 PolarHBondContact O-OH 2.67Å; L1071-Y1113 HydrophobicContact CB-CE2 4.16Å; L1071-Y1113 HydrophobicContact CD2-CD2 4.3Å; L1071-Y1113 HydrophobicContact CD2-CE2 3.75Å; P1072-Y1113 HydrophobicContact CG-CE1 4.29Å; F1089-Y1113 HydrophobicContact CE1-CE1 4.39Å; R1111-Y1113 HydrophobicContact CB-CE2 3.72Å; R1111-Y1113 WeakPolarHBondContact CG-OH 3.44Å
1114	T	98.4	Very high	93.9	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.025	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.7	150.3	-59.8	0	0	0	0	107.6	D1029 H1031 M1041 Y1042 E1116	D1029-T1114 CarbonylContact O-C 3.55Å; D1029-T1114 WeakPolarHBondContact O-CA 3.31Å; H1031-T1114 HydrophobicContact CB-CG2 3.84Å; H1031-T1114 VanDerWaalsContact CD2-CG2 3.5Å; H1031-T1114 WeakPolarHBondContact CD2-CG2 3.38Å; M1041-T1114 CarbonylContact C-O 3.52Å; M1041-T1114 VanDerWaalsContact CA-O 3.29Å; M1041-T1114 WeakPolarHBondContact CA-O 3.38Å; Y1042-T1114 PolarHBondContact N-O 2.82Å; Y1042-T1114 PolarHBondContact O-N 3.06Å; T1114-E1116 HydrophobicContact CG2-CG 4.37Å; T1114-E1116 VanDerWaalsContact CG2-OE1 3.28Å; T1114-E1116 WeakPolarHBondContact CG2-OE1 3.34Å
1115	M	98.6	Very high	93.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.9	167.5	-173.1	-162.9	-59.8	0	0	108.5	V943 D1029 Y1030 H1031 V1039 M1041 M1140 F1144	V943-M1115 HydrophobicContact CG1-SD 3.99Å; D1029-M1115 PolarHBondContact O-N 2.64Å; Y1030-M1115 HydrophobicContact CD1-CB 3.97Å; Y1030-M1115 HydrophobicContact CD1-CE 4.05Å; Y1030-M1115 HydrophobicContact CD1-SD 4.39Å; Y1030-M1115 HydrophobicContact CE1-CE 3.57Å; Y1030-M1115 HydrophobicContact CE1-SD 4.44Å; H1031-M1115 PolarHBondContact N-O 3.25Å; V1039-M1115 HydrophobicContact CG1-CG 3.82Å; V1039-M1115 HydrophobicContact CG1-SD 3.86Å; M1041-M1115 HydrophobicContact CE-CB 4.13Å; M1041-M1115 HydrophobicContact CE-CE 3.63Å; M1041-M1115 HydrophobicContact CE-CG 4.07Å; M1041-M1115 HydrophobicContact CG-CB 4.28Å; M1041-M1115 HydrophobicContact CG-CG 4.33Å; M1115-M1140 HydrophobicContact CE-CE 4.14Å; M1115-M1140 HydrophobicContact SD-CE 4.04Å; M1115-M1140 HydrophobicContact SD-CG 4.18Å; M1115-F1144 HydrophobicContact CE-CB 4.16Å; M1115-F1144 HydrophobicContact CE-CD2 3.36Å; M1115-F1144 HydrophobicContact CE-CE2 3.95Å; M1115-F1144 HydrophobicContact CE-CG 3.94Å
1116	E	98.1	Very high	93.7	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.4	177.7	-67.9	-62.3	163.7	0	0	109.6	H1033 V1039 F1040 Y1042 T1114	H1033-E1116 HydrophobicContact CB-CB 4.24Å; H1033-E1116 IonicContact CD2-OE2 2.75Å; V1039-E1116 CarbonylContact C-O 3.6Å; V1039-E1116 VanDerWaalsContact CA-O 3.24Å; V1039-E1116 WeakPolarHBondContact CA-O 3.31Å; V1039-E1116 VanDerWaalsContact CG1-O 3.28Å; V1039-E1116 WeakPolarHBondContact CG1-O 3.45Å; F1040-E1116 HydrophobicContact CD1-CB 4.37Å; F1040-E1116 HydrophobicContact CD2-CB 3.7Å; F1040-E1116 HydrophobicContact CD2-CG 4.07Å; F1040-E1116 HydrophobicContact CE1-CB 4.13Å; F1040-E1116 HydrophobicContact CE2-CB 3.41Å; F1040-E1116 VanDerWaalsContact CE2-CB 3.41Å; F1040-E1116 HydrophobicContact CE2-CG 3.63Å; F1040-E1116 HydrophobicContact CG-CB 4.16Å; F1040-E1116 HydrophobicContact CZ-CB 3.64Å; F1040-E1116 HydrophobicContact CZ-CG 4.19Å; F1040-E1116 PolarHBondContact N-O 2.79Å; F1040-E1116 PolarHBondContact O-N 2.72Å; Y1042-E1116 HydrophobicContact CD2-CG 3.6Å; Y1042-E1116 HydrophobicContact CE2-CG 3.48Å; Y1042-E1116 VanDerWaalsContact CE2-CG 3.48Å; T1114-E1116 HydrophobicContact CG2-CG 4.37Å; T1114-E1116 VanDerWaalsContact CG2-OE1 3.28Å; T1114-E1116 WeakPolarHBondContact CG2-OE1 3.34Å
1117	S	97.4	Very high	93.9	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.1	175.6	59.4	0	0	0	0	111.3	N939 H1031 G1032 H1033	N939-S1117 PolarHBondContact ND2-O 3.2Å; N939-S1117 PolarHBondContact ND2-OG 2.9Å; N939-S1117 VanDerWaalsContact ND2-OG 3.12Å; N939-S1117 PolarHBondContact OD1-OG 3.44Å; H1031-S1117 PolarHBondContact O-N 3.26Å; H1031-S1117 PolarHBondContact O-OG 2.96Å; G1032-S1117 CarbonylContact C-O 3.52Å; G1032-S1117 WeakPolarHBondContact CA-O 3.28Å; H1033-S1117 PolarHBondContact N-O 3.46Å
1118	T	95.4	Very high	94	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	141.7	178.1	-172.6	0	0	0	0	112.3	N939 K1036 N1038 C1120 G1121 I1132	N939-T1118 PolarHBondContact ND2-O 3.29Å; K1036-T1118 WeakPolarHBondContact O-CB 3.31Å; K1036-T1118 PolarHBondContact O-OG1 3.05Å; N1038-T1118 WeakPolarHBondContact O-CB 3.42Å; N1038-T1118 PolarHBondContact O-N 3.5Å; T1118-C1120 VanDerWaalsContact C-N 3.32Å; T1118-C1120 PolarHBondContact OG1-N 3.06Å; T1118-G1121 WeakPolarHBondContact CG2-O 3.48Å; T1118-G1121 PolarHBondContact OG1-N 2.96Å; T1118-I1132 HydrophobicContact CG2-CB 4.19Å; T1118-I1132 HydrophobicContact CG2-CD1 4.34Å; T1118-I1132 HydrophobicContact CG2-CG1 4.29Å; T1118-I1132 HydrophobicContact CG2-CG2 4.33Å
1119	L	93.3	Very high	94.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	17%	0.169	C	C	.	.	S	Bend	trans	-87.3	-2.4	169	-66.7	160.5	0	0	0	112.7	M795 Y861 H862 N939 H1033	M795-L1119 WeakPolarHBondContact CE-O 3.4Å; Y861-L1119 HydrophobicContact CE1-CB 4.31Å; Y861-L1119 HydrophobicContact CE1-CD1 3.79Å; Y861-L1119 HydrophobicContact CE1-CD2 4.29Å; Y861-L1119 HydrophobicContact CE1-CG 4.34Å; H862-L1119 HydrophobicContact CB-CD2 4.37Å; H862-L1119 VanDerWaalsContact CD2-CA 3.45Å; H862-L1119 WeakPolarHBondContact CD2-CA 3.44Å; H862-L1119 VanDerWaalsContact CD2-CD2 3.48Å; H862-L1119 WeakPolarHBondContact CD2-CD2 3.25Å; H862-L1119 PolarHBondContact CD2-O 3.25Å; H862-L1119 PolarHBondContact NE2-O 2.64Å; N939-L1119 HydrophobicContact CB-CD2 4.39Å; N939-L1119 VanDerWaalsContact ND2-CD2 3.35Å; N939-L1119 WeakPolarHBondContact ND2-CD2 3.2Å; H1033-L1119 PolarHBondContact O-N 3.21Å
1120	C	94.5	Very high	94.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-117	-71.1	-169.1	169.1	0	0	0	0	112.3	L678 Q790 M795 T1118 Q1131 I1132	L678-C1120 VanDerWaalsContact CD2-SG 3.56Å; Q790-C1120 HydrophobicContact CB-CB 3.84Å; Q790-C1120 HydrophobicContact CG-CB 4.01Å; Q790-C1120 PolarHBondContact OE1-SG 2.81Å; M795-C1120 HydrophobicContact CB-CB 4.12Å; M795-C1120 HydrophobicContact CG-CB 4.25Å; M795-C1120 HydrophobicContact SD-CB 4.14Å; T1118-C1120 VanDerWaalsContact C-N 3.32Å; T1118-C1120 PolarHBondContact OG1-N 3.06Å; C1120-Q1131 WeakPolarHBondContact O-CA 3.36Å; C1120-I1132 PolarHBondContact O-N 3.37Å
1121	G	94.1	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	171.2	-174	-167.8	0	0	0	0	0	113.5	K1037 N1038 T1118 L1130	K1037-G1121 VanDerWaalsContact CA-O 3.31Å; K1037-G1121 WeakPolarHBondContact CA-O 3.45Å; K1037-G1121 WeakPolarHBondContact CB-O 3.43Å; K1037-G1121 WeakPolarHBondContact CG-O 3.28Å; N1038-G1121 PolarHBondContact N-O 3.31Å; T1118-G1121 WeakPolarHBondContact CG2-O 3.48Å; T1118-G1121 PolarHBondContact OG1-N 2.96Å; G1121-L1130 WeakPolarHBondContact CA-O 3.46Å
1122	C	94.1	Very high	94.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-112.3	147.8	-176.5	-68.3	0	0	0	0	112.8	N1038 Y1127 K1128 G1129 L1130	N1038-C1122 VanDerWaalsContact OD1-CA 3.27Å; N1038-C1122 WeakPolarHBondContact OD1-CA 3.34Å; N1038-C1122 WeakPolarHBondContact OD1-CB 3.24Å; C1122-Y1127 WeakPolarHBondContact CB-O 3.42Å; C1122-K1128 CarbonylContact O-C 3.28Å; C1122-K1128 WeakPolarHBondContact O-CA 3.27Å; C1122-G1129 PolarHBondContact O-N 2.92Å; C1122-L1130 PolarHBondContact N-O 3.32Å; C1122-L1130 VanDerWaalsContact N-O 3.15Å
1123	D	91.2	Very high	94.6	Very high	64 Å²	64	27.6 Å²	27.6	34%	0.342	15%	0.154	S	C	.	.	S	Bend	trans	-110.2	-3.6	173.9	56.7	43.4	0	0	0	113	K1037 N1038 K1128	K1037-D1123 VanDerWaalsContact CB-OD2 3.25Å; K1037-D1123 WeakPolarHBondContact CB-OD2 3.37Å; K1037-D1123 HydrophobicContact CD-CB 4.29Å; N1038-D1123 PolarHBondContact ND2-OD1 3.4Å; N1038-D1123 PolarHBondContact ND2-OD2 2.93Å; N1038-D1123 PolarHBondContact OD1-N 2.86Å; N1038-D1123 PolarHBondContact OD1-OD1 3.45Å; D1123-K1128 WeakPolarHBondContact O-CD 3.38Å; D1123-K1128 WeakPolarHBondContact O-CE 3.39Å; D1123-K1128 WeakPolarHBondContact O-CG 3.38Å; D1123-K1128 PolarHBondContact O-NZ 3.25Å
1124	Q	89.2	Confident	94.5	Very high	67 Å²	67	27.9 Å²	27.9	31%	0.313	16%	0.155	S	C	.	.	S	Bend	trans	-138.2	178	179.9	71.9	-170.7	-85.6	0	0	112.3	N1038 S1083 K1128	N1038-Q1124 PolarHBondContact ND2-NE2 2.84Å; S1083-Q1124 VanDerWaalsContact CB-NE2 3.34Å; S1083-Q1124 PolarHBondContact OG-NE2 3.3Å; S1083-Q1124 VanDerWaalsContact OG-NE2 3.1Å; Q1124-K1128 PolarHBondContact O-N 3.32Å; Q1124-K1128 VanDerWaalsContact O-N 3.07Å
1125	G	88.3	Confident	94.3	Very high	56 Å²	56	35 Å²	35	58%	0.577	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	63.4	-159.6	177.7	0	0	0	0	0	114.3	Y1127 K1128	G1125-Y1127 PolarHBondContact O-N 2.98Å; G1125-Y1127 VanDerWaalsContact O-N 3.09Å; G1125-K1128 PolarHBondContact O-N 2.86Å
1126	K	92.1	Very high	94.2	Very high	102 Å²	102	35.5 Å²	35.5	44%	0.443	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-71.6	2.4	179.2	83.7	-170.6	179.9	-174.4	0	113.8	P1080 E1139	P1080-K1126 HydrophobicContact CB-CB 4.38Å; P1080-K1126 HydrophobicContact CB-CD 3.62Å; P1080-K1126 HydrophobicContact CB-CG 3.63Å; P1080-K1126 HydrophobicContact CG-CD 3.73Å; P1080-K1126 HydrophobicContact CG-CG 4.33Å; K1126-E1139 WeakPolarHBondContact CE-OE2 3.37Å; K1126-E1139 IonicContact NZ-OE1 3.45Å; K1126-E1139 PolarHBondContact NZ-OE1 3.4Å; K1126-E1139 IonicContact NZ-OE2 3.45Å; K1126-E1139 PolarHBondContact NZ-OE2 3.14Å
1127	Y	94.9	Very high	94.2	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.063	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-120.2	1.4	-175.5	-66.8	-59.3	0	0	0	113.8	P1080 A1081 C1122 G1125 G1129 L1130 E1136 E1139	P1080-Y1127 HydrophobicContact CB-CD2 4.31Å; P1080-Y1127 HydrophobicContact CB-CE2 4.32Å; A1081-Y1127 HydrophobicContact CB-CD2 4.21Å; C1122-Y1127 WeakPolarHBondContact CB-O 3.42Å; G1125-Y1127 PolarHBondContact O-N 2.98Å; G1125-Y1127 VanDerWaalsContact O-N 3.09Å; Y1127-G1129 PolarHBondContact O-N 3.47Å; Y1127-L1130 HydrophobicContact CD1-CD1 4.25Å; Y1127-L1130 WeakPolarHBondContact O-CB 3.5Å; Y1127-L1130 PolarHBondContact O-N 3.33Å; Y1127-E1136 HydrophobicContact CD1-CG 3.89Å; Y1127-E1136 HydrophobicContact CD2-CG 4.27Å; Y1127-E1136 VanDerWaalsContact CE1-CD 3.47Å; Y1127-E1136 HydrophobicContact CE1-CG 3.35Å; Y1127-E1136 WeakPolarHBondContact CE1-OE1 3.48Å; Y1127-E1136 HydrophobicContact CE2-CG 3.76Å; Y1127-E1136 HydrophobicContact CG-CG 4.32Å; Y1127-E1136 WeakPolarHBondContact OH-CG 3.49Å; Y1127-E1136 PolarHBondContact OH-OE1 2.99Å; Y1127-E1139 PolarHBondContact OH-OE2 2.89Å
1128	K	94.5	Very high	94.3	Very high	149 Å²	149	36.5 Å²	36.5	65%	0.648	19%	0.189	S	C	*	.	B	Isolated β-bridge	trans	-50.5	125.7	175.7	177.8	170.4	-169.1	97.7	0	111.5	C1122 D1123 Q1124 G1125 L1130	C1122-K1128 CarbonylContact O-C 3.28Å; C1122-K1128 WeakPolarHBondContact O-CA 3.27Å; D1123-K1128 WeakPolarHBondContact O-CD 3.38Å; D1123-K1128 WeakPolarHBondContact O-CE 3.39Å; D1123-K1128 WeakPolarHBondContact O-CG 3.38Å; D1123-K1128 PolarHBondContact O-NZ 3.25Å; Q1124-K1128 PolarHBondContact O-N 3.32Å; Q1124-K1128 VanDerWaalsContact O-N 3.07Å; G1125-K1128 PolarHBondContact O-N 2.86Å; K1128-L1130 VanDerWaalsContact C-N 3.34Å
1129	G	93.8	Very high	94.4	Very high	35 Å²	35	39.1 Å²	39.1	36%	0.361	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	4.5	176.9	0	0	0	0	0	114.6	P677 L678 C1122 Y1127	P677-G1129 WeakPolarHBondContact CA-O 3.06Å; L678-G1129 PolarHBondContact N-O 2.84Å; C1122-G1129 PolarHBondContact O-N 2.92Å; Y1127-G1129 PolarHBondContact O-N 3.47Å
1130	L	95.1	Very high	94.6	Very high	36 Å²	36	39.1 Å²	39.1	19%	0.188	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-111.8	149.9	-178.9	-56.2	177	0	0	0	111.5	K675 E676 G1121 C1122 Y1127 K1128	K675-L1130 HydrophobicContact CB-CD1 4.04Å; K675-L1130 HydrophobicContact CB-CD2 4.3Å; K675-L1130 HydrophobicContact CD-CD1 3.72Å; K675-L1130 HydrophobicContact CG-CD1 4.24Å; E676-L1130 WeakPolarHBondContact O-CA 3.47Å; G1121-L1130 WeakPolarHBondContact CA-O 3.46Å; C1122-L1130 PolarHBondContact N-O 3.32Å; C1122-L1130 VanDerWaalsContact N-O 3.15Å; Y1127-L1130 HydrophobicContact CD1-CD1 4.25Å; Y1127-L1130 WeakPolarHBondContact O-CB 3.5Å; Y1127-L1130 PolarHBondContact O-N 3.33Å; K1128-L1130 VanDerWaalsContact C-N 3.34Å
1131	Q	95.2	Very high	94.8	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.047	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-74.7	151.1	169.3	-66.5	-170.4	77.8	0	0	110.4	E676 P677 L678 R814 C1120	E676-Q1131 HydrophobicContact CB-CB 4.48Å; E676-Q1131 PolarHBondContact O-N 2.64Å; P677-Q1131 PolarHBondContact O-NE2 3.32Å; L678-Q1131 HydrophobicContact CD2-CG 3.74Å; L678-Q1131 HydrophobicContact CG-CG 4.21Å; R814-Q1131 HydrophobicContact CG-CB 4.36Å; C1120-Q1131 WeakPolarHBondContact O-CA 3.36Å
1132	I	95.5	Very high	95	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.211	C	C	.	.			trans	-80	131.5	179.4	-158.2	76.2	0	0	0	109.6	R814 H862 Y863 T1118 C1120 E1136 L1137	R814-I1132 PolarHBondContact NH2-O 3.43Å; H862-I1132 VanDerWaalsContact NE2-CG2 3.34Å; H862-I1132 WeakPolarHBondContact NE2-CG2 3.43Å; Y863-I1132 WeakPolarHBondContact CE2-O 3.1Å; Y863-I1132 PolarHBondContact OH-O 3.41Å; T1118-I1132 HydrophobicContact CG2-CB 4.19Å; T1118-I1132 HydrophobicContact CG2-CD1 4.34Å; T1118-I1132 HydrophobicContact CG2-CG1 4.29Å; T1118-I1132 HydrophobicContact CG2-CG2 4.33Å; C1120-I1132 PolarHBondContact O-N 3.37Å; I1132-E1136 HydrophobicContact CD1-CB 3.5Å; I1132-E1136 HydrophobicContact CD1-CG 4.2Å; I1132-E1136 HydrophobicContact CG1-CB 4.11Å; I1132-L1137 HydrophobicContact CG1-CD1 4.44Å; I1132-L1137 HydrophobicContact CG1-CD2 3.92Å; I1132-L1137 HydrophobicContact CG1-CG 3.93Å
1133	S	95.3	Very high	95.2	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.07	22%	0.22	C	C	.	.			trans	-108	166.5	171.7	91.4	0	0	0	0	111.3	R1135 E1136 L1137	S1133-R1135 PolarHBondContact O-N 3.43Å; S1133-R1135 WeakPolarHBondContact OG-CB 3.28Å; S1133-R1135 PolarHBondContact OG-N 3.4Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.33Å; S1133-E1136 PolarHBondContact O-N 3.29Å; S1133-E1136 VanDerWaalsContact O-N 3.14Å; S1133-E1136 PolarHBondContact OG-OE2 3.48Å; S1133-L1137 PolarHBondContact O-N 3.36Å
1134	T	95.7	Very high	95.5	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-54.4	-35.6	173.7	53.6	0	0	0	0	112.4	A671 Y863 W942 E1136 L1137 E1138	A671-T1134 WeakPolarHBondContact CB-OG1 3.43Å; Y863-T1134 HydrophobicContact CD1-CG2 3.96Å; Y863-T1134 HydrophobicContact CD2-CG2 3.5Å; Y863-T1134 HydrophobicContact CE2-CG2 4.13Å; Y863-T1134 HydrophobicContact CG-CG2 3.46Å; Y863-T1134 VanDerWaalsContact CG-CG2 3.46Å; W942-T1134 HydrophobicContact CD2-CG2 3.5Å; W942-T1134 VanDerWaalsContact CE2-CG2 3.49Å; W942-T1134 HydrophobicContact CE3-CG2 3.71Å; W942-T1134 HydrophobicContact CG-CG2 4.09Å; W942-T1134 HydrophobicContact CH2-CG2 3.92Å; W942-T1134 HydrophobicContact CZ2-CG2 3.73Å; W942-T1134 HydrophobicContact CZ3-CG2 3.9Å; T1134-E1136 PolarHBondContact O-N 3.06Å; T1134-L1137 PolarHBondContact O-N 2.86Å; T1134-E1138 WeakPolarHBondContact O-CG 3.4Å; T1134-E1138 PolarHBondContact O-N 3.18Å
1135	R	95.1	Very high	96	Very high	153 Å²	153	36.1 Å²	36.1	58%	0.577	19%	0.189	S	C	*	.	H	α-helix	trans	-62.5	-38.4	178	-173.8	-174.7	-175.5	168.6	5.4	113.5	A671 S1133 E1139	A671-R1135 HydrophobicContact CB-CB 3.97Å; S1133-R1135 PolarHBondContact O-N 3.43Å; S1133-R1135 WeakPolarHBondContact OG-CB 3.28Å; S1133-R1135 PolarHBondContact OG-N 3.4Å; R1135-E1139 WeakPolarHBondContact O-CB 3.5Å; R1135-E1139 PolarHBondContact O-N 3.09Å
1136	E	96.6	Very high	96.4	Very high	14 Å²	14	34.5 Å²	34.5	7%	0.065	17%	0.168	C	C	.	.	H	α-helix	trans	-71.6	-34.3	177.6	-86.6	64.1	-133	0	0	112.1	Y1127 I1132 S1133 T1134 M1140	Y1127-E1136 HydrophobicContact CD1-CG 3.89Å; Y1127-E1136 HydrophobicContact CD2-CG 4.27Å; Y1127-E1136 VanDerWaalsContact CE1-CD 3.47Å; Y1127-E1136 HydrophobicContact CE1-CG 3.35Å; Y1127-E1136 WeakPolarHBondContact CE1-OE1 3.48Å; Y1127-E1136 HydrophobicContact CE2-CG 3.76Å; Y1127-E1136 HydrophobicContact CG-CG 4.32Å; Y1127-E1136 WeakPolarHBondContact OH-CG 3.49Å; Y1127-E1136 PolarHBondContact OH-OE1 2.99Å; I1132-E1136 HydrophobicContact CD1-CB 3.5Å; I1132-E1136 HydrophobicContact CD1-CG 4.2Å; I1132-E1136 HydrophobicContact CG1-CB 4.11Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.33Å; S1133-E1136 PolarHBondContact O-N 3.29Å; S1133-E1136 VanDerWaalsContact O-N 3.14Å; S1133-E1136 PolarHBondContact OG-OE2 3.48Å; T1134-E1136 PolarHBondContact O-N 3.06Å; E1136-M1140 PolarHBondContact O-N 3.06Å
1137	L	97.8	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-70.5	-41.8	175.7	-63	166	0	0	0	110.6	N939 W942 V943 I1132 S1133 T1134 M1140 G1141	N939-L1137 HydrophobicContact CB-CD1 3.59Å; N939-L1137 HydrophobicContact CB-CD2 3.89Å; N939-L1137 HydrophobicContact CB-CG 4.39Å; W942-L1137 HydrophobicContact CB-CB 3.69Å; W942-L1137 HydrophobicContact CB-CD1 3.94Å; W942-L1137 HydrophobicContact CB-CG 4.46Å; W942-L1137 HydrophobicContact CG-CD1 4.43Å; V943-L1137 WeakPolarHBondContact CA-O 3.39Å; V943-L1137 HydrophobicContact CG2-CB 4.05Å; V943-L1137 HydrophobicContact CG2-CD2 4Å; I1132-L1137 HydrophobicContact CG1-CD1 4.44Å; I1132-L1137 HydrophobicContact CG1-CD2 3.92Å; I1132-L1137 HydrophobicContact CG1-CG 3.93Å; S1133-L1137 PolarHBondContact O-N 3.36Å; T1134-L1137 PolarHBondContact O-N 2.86Å; L1137-M1140 WeakPolarHBondContact O-CB 3.49Å; L1137-M1140 PolarHBondContact O-N 3.38Å; L1137-G1141 PolarHBondContact O-N 2.93Å
1138	E	97.9	Very high	96.7	Very high	43 Å²	43	28.9 Å²	28.9	20%	0.201	14%	0.144	C	C	.	.	H	α-helix	trans	-64.9	-40.5	172	-71.7	173	-172	0	0	112.6	W942 K945 T1134 M1140 G1141 A1142	W942-E1138 HydrophobicContact CE3-CG 4.47Å; W942-E1138 VanDerWaalsContact CE3-OE1 3.29Å; W942-E1138 WeakPolarHBondContact CZ3-OE1 3.49Å; K945-E1138 WeakPolarHBondContact CD-OE1 3.4Å; K945-E1138 WeakPolarHBondContact CE-OE1 3.36Å; K945-E1138 HydrophobicContact CG-CG 4.45Å; K945-E1138 IonicContact NZ-OE1 2.82Å; K945-E1138 PolarHBondContact NZ-OE1 3.04Å; K945-E1138 IonicContact NZ-OE2 2.72Å; T1134-E1138 WeakPolarHBondContact O-CG 3.4Å; T1134-E1138 PolarHBondContact O-N 3.18Å; E1138-M1140 VanDerWaalsContact C-N 3.28Å; E1138-M1140 PolarHBondContact O-N 3.5Å; E1138-G1141 PolarHBondContact O-N 3.4Å; E1138-A1142 PolarHBondContact O-N 3.45Å
1139	E	97.4	Very high	96.7	Very high	54 Å²	54	22.2 Å²	22.2	25%	0.252	12%	0.115	S	C	.	.	H	α-helix	trans	-57.5	-43.1	170.9	-178.5	178.8	-114.8	0	0	110.4	K1126 Y1127 R1135 G1141 A1142 Q1143	K1126-E1139 WeakPolarHBondContact CE-OE2 3.37Å; K1126-E1139 IonicContact NZ-OE1 3.45Å; K1126-E1139 PolarHBondContact NZ-OE1 3.4Å; K1126-E1139 IonicContact NZ-OE2 3.45Å; K1126-E1139 PolarHBondContact NZ-OE2 3.14Å; Y1127-E1139 PolarHBondContact OH-OE2 2.89Å; R1135-E1139 WeakPolarHBondContact O-CB 3.5Å; R1135-E1139 PolarHBondContact O-N 3.09Å; E1139-G1141 PolarHBondContact O-N 2.82Å; E1139-A1142 PolarHBondContact O-N 2.83Å; E1139-Q1143 HydrophobicContact CG-CG 4.01Å; E1139-Q1143 WeakPolarHBondContact O-CB 3.43Å; E1139-Q1143 VanDerWaalsContact O-CG 3.22Å; E1139-Q1143 WeakPolarHBondContact O-CG 3.37Å; E1139-Q1143 PolarHBondContact O-N 3.1Å
1140	M	98.2	Very high	96.7	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-43.5	178.4	-174.2	66.2	-144	0	0	112.3	V943 V1039 L1075 A1079 F1082 M1115 E1136 L1137 E1138 Q1143 F1144	V943-M1140 HydrophobicContact CG1-CG 4.45Å; V943-M1140 HydrophobicContact CG2-CB 4.48Å; V1039-M1140 HydrophobicContact CB-CG 4.39Å; V1039-M1140 HydrophobicContact CB-SD 4.1Å; V1039-M1140 HydrophobicContact CG1-CE 4.04Å; V1039-M1140 HydrophobicContact CG1-CG 3.93Å; V1039-M1140 HydrophobicContact CG1-SD 3.92Å; V1039-M1140 HydrophobicContact CG2-CG 4.1Å; V1039-M1140 HydrophobicContact CG2-SD 4.25Å; L1075-M1140 HydrophobicContact CD1-CE 4.18Å; L1075-M1140 HydrophobicContact CD2-CE 3.87Å; A1079-M1140 HydrophobicContact CB-CE 4.13Å; A1079-M1140 HydrophobicContact CB-SD 3.81Å; F1082-M1140 HydrophobicContact CB-CE 4.43Å; F1082-M1140 HydrophobicContact CB-SD 4.38Å; F1082-M1140 HydrophobicContact CD2-CE 3.75Å; F1082-M1140 HydrophobicContact CG-CE 4.47Å; M1115-M1140 HydrophobicContact CE-CE 4.14Å; M1115-M1140 HydrophobicContact SD-CE 4.04Å; M1115-M1140 HydrophobicContact SD-CG 4.18Å; E1136-M1140 PolarHBondContact O-N 3.06Å; L1137-M1140 WeakPolarHBondContact O-CB 3.49Å; L1137-M1140 PolarHBondContact O-N 3.38Å; E1138-M1140 VanDerWaalsContact C-N 3.28Å; E1138-M1140 PolarHBondContact O-N 3.5Å; M1140-Q1143 PolarHBondContact O-N 3.43Å; M1140-F1144 PolarHBondContact O-N 2.81Å
1141	G	98.5	Very high	96.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-46.3	175.2	0	0	0	0	0	112.7	V943 T947 L1137 E1138 E1139 Q1143 F1144 C1145	V943-G1141 WeakPolarHBondContact O-CA 3.25Å; T947-G1141 WeakPolarHBondContact OG1-CA 3.41Å; T947-G1141 PolarHBondContact OG1-O 2.99Å; L1137-G1141 PolarHBondContact O-N 2.93Å; E1138-G1141 PolarHBondContact O-N 3.4Å; E1139-G1141 PolarHBondContact O-N 2.82Å; G1141-Q1143 PolarHBondContact O-N 2.87Å; G1141-F1144 WeakPolarHBondContact O-CB 3.17Å; G1141-F1144 PolarHBondContact O-N 3.44Å; G1141-C1145 PolarHBondContact O-N 2.9Å
1142	A	98.5	Very high	96.1	Very high	26 Å²	26	26.9 Å²	26.9	22%	0.215	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-40	175	0	0	0	0	0	112.7	F950 E1138 E1139 F1144 C1145 V1146	F950-A1142 HydrophobicContact CB-CB 4.25Å; F950-A1142 HydrophobicContact CD2-CB 3.84Å; F950-A1142 HydrophobicContact CG-CB 4.39Å; E1138-A1142 PolarHBondContact O-N 3.45Å; E1139-A1142 PolarHBondContact O-N 2.83Å; A1142-F1144 VanDerWaalsContact C-N 3.34Å; A1142-C1145 WeakPolarHBondContact O-CB 3.44Å; A1142-C1145 PolarHBondContact O-N 2.87Å; A1142-V1146 WeakPolarHBondContact O-CG2 3.48Å; A1142-V1146 PolarHBondContact O-N 3.34Å
1143	Q	98.1	Very high	95.5	Very high	43 Å²	43	33.7 Å²	33.7	20%	0.201	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-30.6	176.6	-68.2	-65.7	-10.6	0	0	112.2	I1078 A1079 E1139 M1140 G1141 V1146 A1147	I1078-Q1143 HydrophobicContact CG1-CB 4.5Å; A1079-Q1143 HydrophobicContact CB-CB 3.86Å; A1079-Q1143 HydrophobicContact CB-CG 4.33Å; E1139-Q1143 HydrophobicContact CG-CG 4.01Å; E1139-Q1143 WeakPolarHBondContact O-CB 3.43Å; E1139-Q1143 VanDerWaalsContact O-CG 3.22Å; E1139-Q1143 WeakPolarHBondContact O-CG 3.37Å; E1139-Q1143 PolarHBondContact O-N 3.1Å; M1140-Q1143 PolarHBondContact O-N 3.43Å; G1141-Q1143 PolarHBondContact O-N 2.87Å; Q1143-V1146 PolarHBondContact O-N 2.94Å; Q1143-A1147 WeakPolarHBondContact O-CB 3.35Å; Q1143-A1147 PolarHBondContact O-N 3.18Å
1144	F	98.4	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-45.3	169.9	-178.7	-89.4	0	0	0	111.5	L929 C1028 Y1030 M1041 L1071 L1075 M1115 M1140 G1141 A1142 V1146 A1147 M1148	L929-F1144 HydrophobicContact CD1-CE1 4.28Å; L929-F1144 HydrophobicContact CD2-CE1 3.65Å; L929-F1144 HydrophobicContact CD2-CZ 3.84Å; C1028-F1144 HydrophobicContact CB-CE2 4.17Å; C1028-F1144 HydrophobicContact CB-CZ 3.81Å; Y1030-F1144 WeakPolarHBondContact OH-CD1 3.41Å; Y1030-F1144 WeakPolarHBondContact OH-CE1 3.32Å; M1041-F1144 HydrophobicContact CE-CD2 3.84Å; M1041-F1144 HydrophobicContact CE-CE2 3.7Å; L1071-F1144 HydrophobicContact CD2-CD2 4.45Å; L1071-F1144 HydrophobicContact CD2-CE2 3.67Å; L1071-F1144 HydrophobicContact CD2-CZ 4.09Å; L1075-F1144 HydrophobicContact CD1-CD2 4.35Å; M1115-F1144 HydrophobicContact CE-CB 4.16Å; M1115-F1144 HydrophobicContact CE-CD2 3.36Å; M1115-F1144 HydrophobicContact CE-CE2 3.95Å; M1115-F1144 HydrophobicContact CE-CG 3.94Å; M1140-F1144 PolarHBondContact O-N 2.81Å; G1141-F1144 WeakPolarHBondContact O-CB 3.17Å; G1141-F1144 PolarHBondContact O-N 3.44Å; A1142-F1144 VanDerWaalsContact C-N 3.34Å; F1144-V1146 PolarHBondContact O-N 2.94Å; F1144-A1147 WeakPolarHBondContact O-CB 3.26Å; F1144-A1147 PolarHBondContact O-N 3.46Å; F1144-M1148 HydrophobicContact CD1-CG 4.24Å; F1144-M1148 HydrophobicContact CE1-CG 3.92Å; F1144-M1148 HydrophobicContact CZ-CG 4.3Å; F1144-M1148 HydrophobicContact CZ-SD 4.44Å; F1144-M1148 WeakPolarHBondContact O-CG 3.26Å; F1144-M1148 PolarHBondContact O-N 3.32Å
1145	C	98.5	Very high	93.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-42.4	172.7	-65.7	0	0	0	0	112.8	F950 L961 G1141 A1142 A1147 M1148 L1149	F950-C1145 HydrophobicContact CB-CB 4.35Å; F950-C1145 HydrophobicContact CD1-CB 3.21Å; F950-C1145 HydrophobicContact CD2-CB 4.5Å; F950-C1145 HydrophobicContact CE1-CB 3.49Å; F950-C1145 VanDerWaalsContact CE1-CB 3.49Å; F950-C1145 HydrophobicContact CG-CB 3.78Å; F950-C1145 HydrophobicContact CZ-CB 4.24Å; L961-C1145 HydrophobicContact CD2-CB 3.53Å; L961-C1145 WeakPolarHBondContact CD2-O 3.32Å; G1141-C1145 PolarHBondContact O-N 2.9Å; A1142-C1145 WeakPolarHBondContact O-CB 3.44Å; A1142-C1145 PolarHBondContact O-N 2.87Å; C1145-A1147 PolarHBondContact O-N 2.93Å; C1145-M1148 PolarHBondContact O-N 2.81Å; C1145-L1149 PolarHBondContact O-N 3.06Å; C1145-L1149 VanDerWaalsContact O-N 3.11Å
1146	V	97.9	Very high	91.8	Very high	22 Å²	22	35.9 Å²	35.9	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-38	175	176.6	0	0	0	0	112	F950 L957 I1078 A1142 Q1143 F1144 L1149 R1150	F950-V1146 HydrophobicContact CE2-CG2 3.79Å; F950-V1146 HydrophobicContact CZ-CG2 3.76Å; L957-V1146 HydrophobicContact CD1-CG2 4.36Å; I1078-V1146 HydrophobicContact CD1-CB 4.12Å; I1078-V1146 HydrophobicContact CD1-CG1 3.88Å; A1142-V1146 WeakPolarHBondContact O-CG2 3.48Å; A1142-V1146 PolarHBondContact O-N 3.34Å; Q1143-V1146 PolarHBondContact O-N 2.94Å; F1144-V1146 PolarHBondContact O-N 2.94Å; V1146-L1149 PolarHBondContact O-N 3.16Å; V1146-R1150 PolarHBondContact O-N 3.39Å; V1146-R1150 VanDerWaalsContact O-N 3.09Å
1147	A	97.5	Very high	89.7	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-39.7	175.9	0	0	0	0	0	111.8	L1071 I1074 L1075 I1078 Q1143 F1144 C1145 L1149 R1150 L1151	L1071-A1147 HydrophobicContact CD1-CB 3.64Å; I1074-A1147 HydrophobicContact CB-CB 4.33Å; I1074-A1147 HydrophobicContact CG2-CB 3.65Å; L1075-A1147 HydrophobicContact CD2-CB 3.59Å; L1075-A1147 HydrophobicContact CG-CB 3.97Å; I1078-A1147 HydrophobicContact CD1-CB 3.92Å; Q1143-A1147 WeakPolarHBondContact O-CB 3.35Å; Q1143-A1147 PolarHBondContact O-N 3.18Å; F1144-A1147 WeakPolarHBondContact O-CB 3.26Å; F1144-A1147 PolarHBondContact O-N 3.46Å; C1145-A1147 PolarHBondContact O-N 2.93Å; A1147-L1149 PolarHBondContact O-N 3.48Å; A1147-R1150 WeakPolarHBondContact O-CB 3.44Å; A1147-R1150 PolarHBondContact O-N 2.85Å; A1147-L1151 PolarHBondContact O-N 3.49Å
1148	M	95.7	Very high	87.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-37.5	173.8	-70.7	-59	-66.4	0	0	112.5	I927 L961 V1026 L1071 F1144 C1145 R1150 L1151 K1152	I927-M1148 HydrophobicContact CD1-CE 3.22Å; I927-M1148 HydrophobicContact CG1-CE 3.68Å; I927-M1148 HydrophobicContact CG2-CE 4.02Å; L961-M1148 HydrophobicContact CD1-CB 3.95Å; V1026-M1148 HydrophobicContact CB-CE 3.91Å; V1026-M1148 HydrophobicContact CB-SD 4.38Å; V1026-M1148 HydrophobicContact CG1-CE 4.5Å; V1026-M1148 HydrophobicContact CG1-SD 4.43Å; V1026-M1148 HydrophobicContact CG2-CE 3.61Å; V1026-M1148 HydrophobicContact CG2-SD 3.89Å; L1071-M1148 HydrophobicContact CD1-CG 4.42Å; L1071-M1148 HydrophobicContact CD1-SD 3.78Å; L1071-M1148 HydrophobicContact CD2-SD 3.72Å; L1071-M1148 HydrophobicContact CG-SD 4.42Å; F1144-M1148 HydrophobicContact CD1-CG 4.24Å; F1144-M1148 HydrophobicContact CE1-CG 3.92Å; F1144-M1148 HydrophobicContact CZ-CG 4.3Å; F1144-M1148 HydrophobicContact CZ-SD 4.44Å; F1144-M1148 WeakPolarHBondContact O-CG 3.26Å; F1144-M1148 PolarHBondContact O-N 3.32Å; C1145-M1148 PolarHBondContact O-N 2.81Å; M1148-R1150 VanDerWaalsContact C-N 3.33Å; M1148-R1150 PolarHBondContact O-N 3.06Å; M1148-L1151 HydrophobicContact CE-CD2 4.13Å; M1148-L1151 WeakPolarHBondContact O-CB 3.25Å; M1148-L1151 PolarHBondContact O-N 2.98Å; M1148-L1151 HydrophobicContact SD-CD2 3.95Å; M1148-K1152 PolarHBondContact O-N 3.37Å
1149	L	94.2	Very high	84.7	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-34.1	173.4	-175.1	57.3	0	0	0	112.4	L957 N960 L961 C1145 V1146 A1147 K1152	L957-L1149 HydrophobicContact CB-CD2 4.24Å; L957-L1149 HydrophobicContact CD2-CD2 3.93Å; N960-L1149 HydrophobicContact CB-CD1 4.01Å; N960-L1149 HydrophobicContact CB-CD2 3.99Å; L961-L1149 HydrophobicContact CD1-CB 3.99Å; C1145-L1149 PolarHBondContact O-N 3.06Å; C1145-L1149 VanDerWaalsContact O-N 3.11Å; V1146-L1149 PolarHBondContact O-N 3.16Å; A1147-L1149 PolarHBondContact O-N 3.48Å; L1149-K1152 WeakPolarHBondContact O-CB 3.32Å
1150	R	94.4	Very high	81.7	Confident	110 Å²	110	56.7 Å²	56.7	42%	0.415	28%	0.275	S	S	.	.	H	α-helix	trans	-69.4	-38.7	172.4	-70.2	-179.8	178.1	-145.4	4.4	111.9	I1074 I1078 V1146 A1147 M1148 K1152 R1153 L1154	I1074-R1150 HydrophobicContact CD1-CB 4.24Å; I1074-R1150 HydrophobicContact CG2-CB 3.97Å; I1074-R1150 HydrophobicContact CG2-CG 4.43Å; I1078-R1150 VanDerWaalsContact CG2-NH1 3.31Å; V1146-R1150 PolarHBondContact O-N 3.39Å; V1146-R1150 VanDerWaalsContact O-N 3.09Å; A1147-R1150 WeakPolarHBondContact O-CB 3.44Å; A1147-R1150 PolarHBondContact O-N 2.85Å; M1148-R1150 VanDerWaalsContact C-N 3.33Å; M1148-R1150 PolarHBondContact O-N 3.06Å; R1150-K1152 VanDerWaalsContact C-N 3.32Å; R1150-K1152 PolarHBondContact O-N 3.05Å; R1150-R1153 PolarHBondContact O-N 3.31Å; R1150-R1153 VanDerWaalsContact O-N 3.16Å; R1150-L1154 PolarHBondContact O-N 2.73Å
1151	L	91	Very high	79	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56.8	-44.5	176.1	-176.6	64.8	0	0	0	111.3	V1026 T1070 I1074 A1147 M1148 R1153 L1154 T1155	V1026-L1151 HydrophobicContact CG2-CD2 3.91Å; T1070-L1151 HydrophobicContact CG2-CD1 3.6Å; I1074-L1151 HydrophobicContact CD1-CB 4.19Å; I1074-L1151 HydrophobicContact CD1-CD1 4.47Å; A1147-L1151 PolarHBondContact O-N 3.49Å; M1148-L1151 HydrophobicContact CE-CD2 4.13Å; M1148-L1151 WeakPolarHBondContact O-CB 3.25Å; M1148-L1151 PolarHBondContact O-N 2.98Å; M1148-L1151 HydrophobicContact SD-CD2 3.95Å; L1151-R1153 VanDerWaalsContact C-N 3.32Å; L1151-R1153 PolarHBondContact O-N 3.46Å; L1151-L1154 PolarHBondContact O-N 2.81Å; L1151-T1155 HydrophobicContact CD1-CG2 4.34Å; L1151-T1155 HydrophobicContact CG-CG2 4.48Å; L1151-T1155 PolarHBondContact O-N 3.32Å; L1151-T1155 PolarHBondContact O-OG1 2.67Å; L1151-T1155 VanDerWaalsContact O-OG1 3.14Å
1152	K	86.9	Confident	76.2	Confident	68 Å²	68	71.6 Å²	71.6	30%	0.296	35%	0.349	S	S	.	.	H	α-helix	trans	-47.2	-54.7	173.2	-166	-164.4	-164.3	175.8	0	111.2	A964 Y965 M1148 L1149 R1150 L1154 T1155 S1156	A964-K1152 HydrophobicContact CB-CD 3.51Å; A964-K1152 HydrophobicContact CB-CG 4.32Å; A964-K1152 VanDerWaalsContact CB-NZ 3.32Å; Y965-K1152 HydrophobicContact CE2-CB 4.4Å; Y965-K1152 WeakPolarHBondContact OH-CA 3.31Å; Y965-K1152 WeakPolarHBondContact OH-CB 3.48Å; Y965-K1152 PolarHBondContact OH-N 2.82Å; M1148-K1152 PolarHBondContact O-N 3.37Å; L1149-K1152 WeakPolarHBondContact O-CB 3.32Å; R1150-K1152 VanDerWaalsContact C-N 3.32Å; R1150-K1152 PolarHBondContact O-N 3.05Å; K1152-L1154 PolarHBondContact O-N 3.06Å; K1152-T1155 PolarHBondContact O-N 3.27Å; K1152-T1155 PolarHBondContact O-OG1 3.01Å; K1152-S1156 PolarHBondContact O-N 2.86Å; K1152-S1156 PolarHBondContact O-OG 2.8Å
1153	R	81.3	Confident	73.4	Confident	147 Å²	147	75.6 Å²	75.6	56%	0.555	37%	0.366	S	S	*	.	H	α-helix	trans	-60.1	-45.6	-175.9	-61.4	178.6	-178	-173.6	-1.4	112	R1150 L1151 S1156 L1157	R1150-R1153 PolarHBondContact O-N 3.31Å; R1150-R1153 VanDerWaalsContact O-N 3.16Å; L1151-R1153 VanDerWaalsContact C-N 3.32Å; L1151-R1153 PolarHBondContact O-N 3.46Å; R1153-S1156 PolarHBondContact O-N 3.3Å; R1153-L1157 WeakPolarHBondContact O-CB 3.36Å; R1153-L1157 VanDerWaalsContact O-CG 3.32Å; R1153-L1157 WeakPolarHBondContact O-CG 3.45Å; R1153-L1157 PolarHBondContact O-N 3.1Å
1154	L	78.4	Confident	70.5	Confident	88 Å²	88	80.3 Å²	80.3	46%	0.461	39%	0.39	S	S	.	.	H	α-helix	trans	-66	-38.2	177.5	-64.8	177.3	0	0	0	112.2	T1070 I1074 R1150 L1151 K1152 L1157 R1158	T1070-L1154 HydrophobicContact CG2-CD1 4.28Å; I1074-L1154 HydrophobicContact CD1-CD1 4.06Å; I1074-L1154 HydrophobicContact CG1-CD1 4.36Å; R1150-L1154 PolarHBondContact O-N 2.73Å; L1151-L1154 PolarHBondContact O-N 2.81Å; K1152-L1154 PolarHBondContact O-N 3.06Å; L1154-L1157 PolarHBondContact O-N 3.1Å; L1154-R1158 PolarHBondContact O-N 3.44Å
1155	T	70.6	Confident	67.8	Low	50 Å²	50	85.2 Å²	85.2	31%	0.307	42%	0.416	S	S	.	.	H	α-helix	trans	-68.7	-35.4	175.4	53.7	0	0	0	0	113.1	L1151 K1152	L1151-T1155 HydrophobicContact CD1-CG2 4.34Å; L1151-T1155 HydrophobicContact CG-CG2 4.48Å; L1151-T1155 PolarHBondContact O-N 3.32Å; L1151-T1155 PolarHBondContact O-OG1 2.67Å; L1151-T1155 VanDerWaalsContact O-OG1 3.14Å; K1152-T1155 PolarHBondContact O-N 3.27Å; K1152-T1155 PolarHBondContact O-OG1 3.01Å
1156	S	60.9	Low	65.2	Low	75 Å²	75	88.2 Å²	88.2	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-71	-35.6	175.1	-57.8	0	0	0	0	113	K1152 R1153	K1152-S1156 PolarHBondContact O-N 2.86Å; K1152-S1156 PolarHBondContact O-OG 2.8Å; R1153-S1156 PolarHBondContact O-N 3.3Å
1157	L	52.8	Low	62.5	Low	121 Å²	121	92 Å²	92	63%	0.634	45%	0.448	S	S	*	.	H	α-helix	trans	-69.5	-29.2	179	-75.7	167.3	0	0	0	113.1	R1153 L1154 N1159 H1160	R1153-L1157 WeakPolarHBondContact O-CB 3.36Å; R1153-L1157 VanDerWaalsContact O-CG 3.32Å; R1153-L1157 WeakPolarHBondContact O-CG 3.45Å; R1153-L1157 PolarHBondContact O-N 3.1Å; L1154-L1157 PolarHBondContact O-N 3.1Å; L1157-N1159 PolarHBondContact O-N 2.89Å; L1157-H1160 PolarHBondContact O-N 2.62Å; L1157-H1160 VanDerWaalsContact O-O 3.1Å
1158	R	50.3	Low	59.6	Low	124 Å²	124	95.1 Å²	95.1	47%	0.468	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-8	178.7	-95.1	-171.7	172.1	-171	-1.4	115.5	D1065 L1154 H1160	D1065-R1158 IonicContact OD1-NH1 2.81Å; L1154-R1158 PolarHBondContact O-N 3.44Å; R1158-H1160 VanDerWaalsContact C-N 3.26Å
1159	N	39.8	Very low	57.1	Low	141 Å²	141	100.6 Å²	100.6	75%	0.754	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.4	169.6	-76.8	-5.7	0	0	0	113.8	L1157	L1157-N1159 PolarHBondContact O-N 2.89Å
1160	H	34.9	Very low	54.7	Low	162 Å²	162	102.7 Å²	102.7	75%	0.75	51%	0.51	S	S	*	.	S	Bend	trans	-128.5	146.6	170.8	-75.5	69.7	0	0	0	110.5	L1157 R1158 N1162	L1157-H1160 PolarHBondContact O-N 2.62Å; L1157-H1160 VanDerWaalsContact O-O 3.1Å; R1158-H1160 VanDerWaalsContact C-N 3.26Å; H1160-N1162 PolarHBondContact O-N 3.09Å
1161	Q	39.7	Very low	52	Low	192 Å²	192	102.4 Å²	102.4	90%	0.897	52%	0.516	S	S	*	.	S	Bend	trans	-39.6	113.1	-171.6	-64.9	164.8	-38.4	0	0	114.7
1162	N	40.8	Very low	49.1	Very low	125 Å²	125	104.9 Å²	104.9	67%	0.668	54%	0.541	S	S	*	.			trans	-171.7	89.2	147.7	-99.9	-7.9	0	0	0	110.6	H1160	H1160-N1162 PolarHBondContact O-N 3.09Å
1163	L	40	Very low	46.6	Very low	111 Å²	111	106.4 Å²	106.4	58%	0.581	56%	0.556	S	S	*	*			trans	-98.2	-34.5	172.8	-168	66.8	0	0	0	112	D1165 L1166	L1163-D1165 PolarHBondContact O-N 3.22Å; L1163-L1166 PolarHBondContact O-N 3.27Å
1164	M	36.8	Very low	44.4	Very low	141 Å²	141	106.6 Å²	106.6	70%	0.695	56%	0.563	S	S	*	*	H	α-helix	trans	-62.2	-45	-167.5	-54	-70.6	-78.7	0	0	113.8	L1166 E1167 S1168	M1164-L1166 PolarHBondContact O-N 3.1Å; M1164-E1167 PolarHBondContact O-N 3.45Å; M1164-S1168 PolarHBondContact O-N 3.33Å; M1164-S1168 PolarHBondContact O-OG 3.43Å
1165	D	42.7	Very low	42	Very low	103 Å²	103	107.3 Å²	107.3	55%	0.551	58%	0.575	S	S	*	*	H	α-helix	trans	-66.3	-25.3	-175.1	-67.1	-16	0	0	0	113.2	L1163 S1168 D1169	L1163-D1165 PolarHBondContact O-N 3.22Å; D1165-S1168 WeakPolarHBondContact CA-OG 3.49Å; D1165-S1168 PolarHBondContact O-OG 3.08Å; D1165-S1168 VanDerWaalsContact O-OG 3.12Å; D1165-D1169 PolarHBondContact O-N 2.82Å
1166	L	43.4	Very low	40	Very low	63 Å²	63	113.4 Å²	113.4	33%	0.33	60%	0.598	S	S	.	*	H	α-helix	trans	-79.7	-28	179.6	-171.8	62.9	0	0	0	112.2	L1163 M1164 I1170	L1163-L1166 PolarHBondContact O-N 3.27Å; M1164-L1166 PolarHBondContact O-N 3.1Å; L1166-I1170 VanDerWaalsContact O-CD1 3.27Å; L1166-I1170 WeakPolarHBondContact O-CD1 3.46Å; L1166-I1170 VanDerWaalsContact O-CG1 3.23Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.35Å; L1166-I1170 PolarHBondContact O-N 3.41Å
1167	E	40.2	Very low	38.5	Very low	101 Å²	101	118 Å²	118	47%	0.472	62%	0.617	S	S	.	*	H	α-helix	trans	-78.9	-40	176	-65.9	-174.4	136.6	0	0	111.3	M1164 I1170 I1171	M1164-E1167 PolarHBondContact O-N 3.45Å; E1167-I1170 PolarHBondContact O-N 2.7Å; E1167-I1171 WeakPolarHBondContact O-CG1 3.33Å; E1167-I1171 PolarHBondContact O-N 3.47Å
1168	S	37.8	Very low	37.4	Very low	66 Å²	66	118.3 Å²	118.3	46%	0.462	62%	0.623	S	S	.	*	H	α-helix	trans	-64.7	-39.1	177	54.3	0	0	0	0	112.8	M1164 D1165 I1170 I1171 G1172	M1164-S1168 PolarHBondContact O-N 3.33Å; M1164-S1168 PolarHBondContact O-OG 3.43Å; D1165-S1168 WeakPolarHBondContact CA-OG 3.49Å; D1165-S1168 PolarHBondContact O-OG 3.08Å; D1165-S1168 VanDerWaalsContact O-OG 3.12Å; S1168-I1170 VanDerWaalsContact C-N 3.35Å; S1168-I1170 PolarHBondContact O-N 3.35Å; S1168-I1171 PolarHBondContact O-N 3.15Å; S1168-G1172 PolarHBondContact O-N 3Å
1169	D	42	Very low	36.3	Very low	116 Å²	116	116.7 Å²	116.7	62%	0.62	63%	0.631	S	S	*	*	H	α-helix	trans	-63.3	-37.5	172.4	-102.1	3.4	0	0	0	112.6	D1165 T1173	D1165-D1169 PolarHBondContact O-N 2.82Å; D1169-T1173 PolarHBondContact O-N 3.07Å; D1169-T1173 PolarHBondContact O-OG1 3.08Å
1170	I	43.2	Very low	36	Very low	52 Å²	52	113 Å²	113	27%	0.267	62%	0.616	S	S	.	*	H	α-helix	trans	-65.7	-45.4	178.1	-74.2	168.8	0	0	0	110.6	L1066 L1166 E1167 S1168 T1173	L1066-I1170 HydrophobicContact CD1-CD1 3.9Å; L1166-I1170 VanDerWaalsContact O-CD1 3.27Å; L1166-I1170 WeakPolarHBondContact O-CD1 3.46Å; L1166-I1170 VanDerWaalsContact O-CG1 3.23Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.35Å; L1166-I1170 PolarHBondContact O-N 3.41Å; E1167-I1170 PolarHBondContact O-N 2.7Å; S1168-I1170 VanDerWaalsContact C-N 3.35Å; S1168-I1170 PolarHBondContact O-N 3.35Å; I1170-T1173 PolarHBondContact O-OG1 2.72Å
1171	I	37.9	Very low	36.1	Very low	105 Å²	105	108.2 Å²	108.2	54%	0.538	60%	0.6	S	S	.	*	H	α-helix	trans	-69.1	-39.5	177.9	-63.6	164.6	0	0	0	110.9	E1167 S1168 T1173 Q1174	E1167-I1171 WeakPolarHBondContact O-CG1 3.33Å; E1167-I1171 PolarHBondContact O-N 3.47Å; S1168-I1171 PolarHBondContact O-N 3.15Å; I1171-T1173 VanDerWaalsContact C-N 3.29Å; I1171-T1173 PolarHBondContact O-N 3.2Å; I1171-Q1174 PolarHBondContact O-N 3.39Å
1172	G	31	Very low	36.1	Very low	51 Å²	51	102.2 Å²	102.2	53%	0.526	58%	0.576	S	S	.	*	H	α-helix	trans	-57.6	-38.5	-179.7	0	0	0	0	0	113.5	S1168 Q1174	S1168-G1172 PolarHBondContact O-N 3Å; G1172-Q1174 VanDerWaalsContact C-N 3.33Å; G1172-Q1174 PolarHBondContact O-N 2.87Å
1173	T	34.2	Very low	36.2	Very low	100 Å²	100	97.7 Å²	97.7	61%	0.613	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-71.4	-16.9	176.5	37.2	0	0	0	0	115.8	D1169 I1170 I1171 S1175	D1169-T1173 PolarHBondContact O-N 3.07Å; D1169-T1173 PolarHBondContact O-OG1 3.08Å; I1170-T1173 PolarHBondContact O-OG1 2.72Å; I1171-T1173 VanDerWaalsContact C-N 3.29Å; I1171-T1173 PolarHBondContact O-N 3.2Å; T1173-S1175 PolarHBondContact O-N 3.46Å
1174	Q	35.9	Very low	36.3	Very low	152 Å²	152	93 Å²	93	71%	0.71	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-75.7	-11.8	-179.2	-68.2	179.6	-27	0	0	113.4	I1171 G1172 K1176	I1171-Q1174 PolarHBondContact O-N 3.39Å; G1172-Q1174 VanDerWaalsContact C-N 3.33Å; G1172-Q1174 PolarHBondContact O-N 2.87Å; Q1174-K1176 PolarHBondContact O-N 3.46Å
1175	S	27.7	Very low	36.4	Very low	102 Å²	102	89.4 Å²	89.4	71%	0.713	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-94.5	17.1	-170.9	-62.8	0	0	0	0	115	T1173	T1173-S1175 PolarHBondContact O-N 3.46Å
1176	K	28.5	Very low	36.3	Very low	179 Å²	179	85.9 Å²	85.9	78%	0.778	49%	0.491	S	S	*	.	S	Bend	trans	-144.2	94.8	174.6	-74.1	-171.2	178	179.8	0	111.8	Q1174 V1178	Q1174-K1176 PolarHBondContact O-N 3.46Å; K1176-V1178 PolarHBondContact O-N 2.92Å
1177	N	28.7	Very low	36.1	Very low	172 Å²	172	85.3 Å²	85.3	92%	0.92	49%	0.488	S	S	*	.			trans	13.1	71.1	162.7	-60.3	14.9	0	0	0	116.2
1178	V	29.3	Very low	36.2	Very low	126 Å²	126	88.5 Å²	88.5	76%	0.764	50%	0.502	S	S	*	.			trans	-82.2	115.1	158.5	179.7	0	0	0	0	105.7	K1176	K1176-V1178 PolarHBondContact O-N 2.92Å
1179	S	28.7	Very low	36.2	Very low	91 Å²	91	92.1 Å²	92.1	64%	0.636	51%	0.512	S	S	*	.			trans	-66.6	163.6	174	-158.1	0	0	0	0	110.7	C1181	S1179-C1181 PolarHBondContact O-N 3.46Å
1180	S	32.9	Very low	36.3	Very low	64 Å²	64	90.4 Å²	90.4	45%	0.448	50%	0.503	S	S	.	.			trans	-54.3	101	179.5	167.6	0	0	0	0	112.5	T1182 L1187	S1180-T1182 PolarHBondContact OG-OG1 2.89Å; S1180-L1187 WeakPolarHBondContact O-CD1 3.06Å
1181	C	36.2	Very low	37	Very low	60 Å²	60	90.9 Å²	90.9	41%	0.405	50%	0.504	S	S	.	.			trans	-116	67.3	160.9	-174.7	0	0	0	0	108.1	S1179	S1179-C1181 PolarHBondContact O-N 3.46Å
1182	T	40.4	Very low	37.8	Very low	66 Å²	66	89.1 Å²	89.1	41%	0.405	50%	0.5	S	S	.	.			trans	-90.6	-28.1	-160.8	-45.4	0	0	0	0	113	Q1052 S1180	Q1052-T1182 VanDerWaalsContact CD-O 3.29Å; Q1052-T1182 HydrophobicContact CG-CG2 3.94Å; Q1052-T1182 PolarHBondContact NE2-O 3.49Å; Q1052-T1182 PolarHBondContact OE1-O 2.99Å; S1180-T1182 PolarHBondContact OG-OG1 2.89Å
1183	T	42.1	Very low	38.6	Very low	31 Å²	31	92.8 Å²	92.8	19%	0.19	52%	0.517	C	S	.	.	S	Bend	trans	-101.8	169.9	-178.1	49	0	0	0	0	113.4	Y1185	T1183-Y1185 VanDerWaalsContact C-N 3.33Å; T1183-Y1185 HydrophobicContact CG2-CD2 4.1Å
1184	T	42.8	Very low	39.6	Very low	11 Å²	11	91.5 Å²	91.5	7%	0.067	50%	0.503	C	S	.	.	S	Bend	trans	-78	-18.5	162.3	71.9	0	0	0	0	112.9	Y1042 E1092	Y1042-T1184 HydrophobicContact CD1-CG2 4.08Å; Y1042-T1184 HydrophobicContact CE1-CG2 4.07Å; Y1042-T1184 PolarHBondContact OH-O 2.89Å; E1092-T1184 HydrophobicContact CG-CG2 4.49Å; E1092-T1184 WeakPolarHBondContact OE1-CA 3.43Å; E1092-T1184 VanDerWaalsContact OE1-CB 3.29Å; E1092-T1184 WeakPolarHBondContact OE1-CB 3.44Å; E1092-T1184 WeakPolarHBondContact OE1-CG2 3.39Å; E1092-T1184 PolarHBondContact OE1-N 3.47Å; E1092-T1184 PolarHBondContact OE1-OG1 3.49Å; E1092-T1184 PolarHBondContact OE2-OG1 3.25Å
1185	Y	38.9	Very low	40.2	Very low	66 Å²	66	92.1 Å²	92.1	26%	0.259	51%	0.51	S	S	.	.	S	Bend	trans	-58.8	163.6	176.4	-61.9	-71.2	0	0	0	114.4	N386 K1036 E1092 S1094 T1183	N386-Y1185 HydrophobicContact CB-CE1 4.44Å; N386-Y1185 WeakPolarHBondContact ND2-CE1 3.38Å; N386-Y1185 PolarHBondContact ND2-OH 2.94Å; N386-Y1185 WeakPolarHBondContact OD1-CE1 3.12Å; K1036-Y1185 PolarHBondContact NZ-O 2.85Å; E1092-Y1185 VanDerWaalsContact CD-CE2 3.48Å; E1092-Y1185 WeakPolarHBondContact OE2-CE2 3.36Å; E1092-Y1185 PolarHBondContact OE2-OH 2.95Å; S1094-Y1185 PolarHBondContact OG-OH 2.89Å; T1183-Y1185 VanDerWaalsContact C-N 3.33Å; T1183-Y1185 HydrophobicContact CG2-CD2 4.1Å
1186	V	41.5	Very low	41.8	Very low	30 Å²	30	88.3 Å²	88.3	18%	0.182	48%	0.481	C	S	.	.			trans	-79.5	114.4	161.2	-168	0	0	0	0	106.7	R1035 K1036 D1190	R1035-V1186 HydrophobicContact CB-CG2 3.82Å; K1036-V1186 HydrophobicContact CG-CG2 4.16Å; V1186-D1190 HydrophobicContact CG1-CB 4.4Å
1187	L	37.7	Very low	43.3	Very low	51 Å²	51	84 Å²	84	27%	0.267	48%	0.479	S	S	.	.			trans	-80.6	148.2	166.1	-61.5	178	0	0	0	108	S1180 E1189 D1190	S1180-L1187 WeakPolarHBondContact O-CD1 3.06Å; L1187-E1189 HydrophobicContact CB-CB 4.32Å; L1187-E1189 PolarHBondContact O-N 3.31Å; L1187-E1189 VanDerWaalsContact O-N 3.11Å; L1187-D1190 WeakPolarHBondContact O-CB 3.43Å; L1187-D1190 PolarHBondContact O-N 3.46Å
1188	E	43.2	Very low	45	Very low	167 Å²	167	76.8 Å²	76.8	78%	0.78	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-59.5	-21.5	172.7	-59.9	-175.4	133.8	0	0	111.9	D1190 E1191	E1188-D1190 PolarHBondContact O-N 3.4Å; E1188-E1191 WeakPolarHBondContact O-CB 3.4Å; E1188-E1191 WeakPolarHBondContact O-CG 3.41Å; E1188-E1191 PolarHBondContact O-N 2.62Å; E1188-E1191 VanDerWaalsContact O-N 3.11Å
1189	E	37.3	Very low	46.6	Very low	142 Å²	142	72.7 Å²	72.7	66%	0.664	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-63.1	-18	172.5	-59.4	-170.1	-177.7	0	0	114.4	L1187 E1191	L1187-E1189 HydrophobicContact CB-CB 4.32Å; L1187-E1189 PolarHBondContact O-N 3.31Å; L1187-E1189 VanDerWaalsContact O-N 3.11Å; E1189-E1191 PolarHBondContact O-N 3.31Å
1190	D	44	Very low	48	Very low	81 Å²	81	70.3 Å²	70.3	43%	0.433	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-76.2	-7.1	173.3	-83.5	-32.2	0	0	0	112.7	K1036 V1186 L1187 E1188	K1036-D1190 VanDerWaalsContact CE-OD2 3.25Å; K1036-D1190 WeakPolarHBondContact CE-OD2 3.25Å; K1036-D1190 IonicContact NZ-OD2 2.67Å; K1036-D1190 PolarHBondContact NZ-OD2 3.47Å; V1186-D1190 HydrophobicContact CG1-CB 4.4Å; L1187-D1190 WeakPolarHBondContact O-CB 3.43Å; L1187-D1190 PolarHBondContact O-N 3.46Å; E1188-D1190 PolarHBondContact O-N 3.4Å
1191	E	57.5	Low	49	Very low	62 Å²	62	69 Å²	69	29%	0.29	38%	0.382	S	S	.	.	S	Bend	trans	-81.7	127	-177	-61.9	-154.2	166	0	0	113.6	N788 Y793 E1188 E1189 S1193	N788-E1191 PolarHBondContact ND2-OE1 3.37Å; Y793-E1191 HydrophobicContact CE1-CB 4.33Å; Y793-E1191 HydrophobicContact CE1-CG 4.46Å; Y793-E1191 PolarHBondContact OH-OE1 3.35Å; Y793-E1191 PolarHBondContact OH-OE2 3.06Å; E1188-E1191 WeakPolarHBondContact O-CB 3.4Å; E1188-E1191 WeakPolarHBondContact O-CG 3.41Å; E1188-E1191 PolarHBondContact O-N 2.62Å; E1188-E1191 VanDerWaalsContact O-N 3.11Å; E1189-E1191 PolarHBondContact O-N 3.31Å; E1191-S1193 PolarHBondContact O-N 2.72Å
1192	P	55.5	Low	49.3	Very low	68 Å²	68	66.6 Å²	66.6	44%	0.442	37%	0.367	S	S	.	.			trans	-67.7	128.1	173.1	28.4	-35.9	0	0	0	111.3	Y793 F1194	Y793-P1192 HydrophobicContact CD1-CG 3.54Å; Y793-P1192 HydrophobicContact CE1-CG 3.9Å; P1192-F1194 PolarHBondContact O-N 3.36Å
1193	S	47.3	Very low	49.3	Very low	127 Å²	127	67.1 Å²	67.1	89%	0.888	37%	0.365	S	S	*	.			trans	-65.2	115.6	-178.4	48.2	0	0	0	0	112.8	E1191	E1191-S1193 PolarHBondContact O-N 2.72Å
1194	F	54.8	Low	49	Very low	73 Å²	73	67.9 Å²	67.9	32%	0.32	37%	0.371	S	S	.	.			trans	-92.6	158.8	176.5	-71.7	-66.1	0	0	0	112.8	R681 N792 Y793 P1192 E1196 I1198	R681-F1194 HydrophobicContact CB-CE1 4.15Å; N792-F1194 VanDerWaalsContact O-CZ 3.27Å; N792-F1194 WeakPolarHBondContact O-CZ 3.25Å; Y793-F1194 AromaticContact CD1-CE2 3.69Å; Y793-F1194 HydrophobicContact CD1-CE2 3.69Å; Y793-F1194 AromaticContact CD1-CZ 3.93Å; Y793-F1194 HydrophobicContact CD1-CZ 3.93Å; Y793-F1194 HydrophobicContact CE1-CD2 4.45Å; Y793-F1194 AromaticContact CE1-CE2 3.53Å; Y793-F1194 HydrophobicContact CE1-CE2 3.53Å; Y793-F1194 HydrophobicContact CE1-CZ 4.25Å; P1192-F1194 PolarHBondContact O-N 3.36Å; F1194-E1196 WeakPolarHBondContact CB-O 3.5Å; F1194-E1196 PolarHBondContact O-N 2.97Å; F1194-I1198 HydrophobicContact CD2-CD1 3.79Å; F1194-I1198 HydrophobicContact CD2-CG1 4.3Å; F1194-I1198 HydrophobicContact CE2-CD1 3.65Å
1195	L	49.5	Very low	48.6	Very low	165 Å²	165	72.9 Å²	72.9	86%	0.864	40%	0.398	S	S	*	.	S	Bend	trans	-67	-14.5	169.2	-66.3	172.7	0	0	0	113.6	Y683	Y683-L1195 HydrophobicContact CD2-CB 4.14Å
1196	E	60.4	Low	48.2	Very low	22 Å²	22	76.8 Å²	76.8	10%	0.103	42%	0.423	C	S	.	.	S	Bend	trans	-136.3	112	171.2	-179	174	-127.7	0	0	107.9	R681 Y683 G684 R687 F1194	R681-E1196 PolarHBondContact NH1-O 3.29Å; Y683-E1196 HydrophobicContact CD2-CB 3.96Å; Y683-E1196 HydrophobicContact CE2-CB 3.78Å; G684-E1196 WeakPolarHBondContact CA-OE2 3.37Å; G684-E1196 PolarHBondContact N-OE2 2.98Å; R687-E1196 IonicContact CZ-OE1 2.63Å; R687-E1196 IonicContact NE-OE1 3.84Å; R687-E1196 PolarHBondContact NE-OE1 2.94Å; R687-E1196 VanDerWaalsContact NE-OE1 3.14Å; R687-E1196 IonicContact NH2-OE1 3.07Å; R687-E1196 PolarHBondContact NH2-OE1 3.36Å; F1194-E1196 WeakPolarHBondContact CB-O 3.5Å; F1194-E1196 PolarHBondContact O-N 2.97Å
1197	A	60.7	Low	47.6	Very low	88 Å²	88	79.9 Å²	79.9	73%	0.727	44%	0.435	S	S	*	.			trans	-54.2	142.5	172.7	0	0	0	0	0	110.3	D1199	A1197-D1199 PolarHBondContact O-N 2.94Å
1198	I	64.1	Low	47.2	Very low	21 Å²	21	84.4 Å²	84.4	11%	0.108	46%	0.46	C	S	.	.			trans	-82.3	121.1	-177.9	-63.2	156.5	0	0	0	108.6	R681 N792 Y793 F1194 Y1200	R681-I1198 VanDerWaalsContact CZ-CG1 3.48Å; N792-I1198 HydrophobicContact CB-CD1 3.75Å; N792-I1198 WeakPolarHBondContact ND2-CG2 3.32Å; Y793-I1198 HydrophobicContact CE1-CD1 4.16Å; Y793-I1198 HydrophobicContact CE2-CD1 4.22Å; Y793-I1198 VanDerWaalsContact OH-CD1 3.25Å; Y793-I1198 WeakPolarHBondContact OH-CD1 3.39Å; F1194-I1198 HydrophobicContact CD2-CD1 3.79Å; F1194-I1198 HydrophobicContact CD2-CG1 4.3Å; F1194-I1198 HydrophobicContact CE2-CD1 3.65Å; I1198-Y1200 HydrophobicContact CB-CD2 4.4Å; I1198-Y1200 HydrophobicContact CB-CE1 4.24Å; I1198-Y1200 HydrophobicContact CB-CE2 3.84Å; I1198-Y1200 WeakPolarHBondContact CD1-OH 3.41Å; I1198-Y1200 HydrophobicContact CG2-CD1 3.81Å; I1198-Y1200 HydrophobicContact CG2-CD2 4.25Å; I1198-Y1200 HydrophobicContact CG2-CE1 3.32Å; I1198-Y1200 HydrophobicContact CG2-CE2 3.83Å; I1198-Y1200 HydrophobicContact CG2-CG 4.23Å; I1198-Y1200 PolarHBondContact O-N 3.01Å
1199	D	62.5	Low	46.4	Very low	40 Å²	40	81.1 Å²	81.1	21%	0.214	46%	0.461	C	S	.	.			trans	-80.4	87	-179.6	-178.9	-18.1	0	0	0	110	R325 Q686 A1197 S1201	R325-D1199 IonicContact CZ-OD1 2.75Å; R325-D1199 IonicContact CZ-OD2 3.65Å; R325-D1199 IonicContact NH1-OD1 2.7Å; R325-D1199 PolarHBondContact NH1-OD1 2.78Å; R325-D1199 IonicContact NH1-OD2 3.68Å; R325-D1199 PolarHBondContact NH1-OD2 3.13Å; Q686-D1199 PolarHBondContact NE2-O 3.3Å; Q686-D1199 VanDerWaalsContact OE1-N 3.13Å; A1197-D1199 PolarHBondContact O-N 2.94Å; D1199-S1201 VanDerWaalsContact OD1-C 3.32Å; D1199-S1201 PolarHBondContact OD1-N 2.97Å
1200	Y	58.8	Low	45.8	Very low	42 Å²	42	81.3 Å²	81.3	17%	0.165	46%	0.462	C	S	.	.			trans	-75.8	-21.5	174.8	-65.2	-57.4	0	0	0	113.3	S787 N788 Y793 K823 I1198	S787-Y1200 WeakPolarHBondContact O-CD1 3.25Å; N788-Y1200 HydrophobicContact CB-CD1 4.46Å; N788-Y1200 HydrophobicContact CB-CE1 3.91Å; N788-Y1200 VanDerWaalsContact CG-CZ 3.48Å; N788-Y1200 VanDerWaalsContact CG-OH 3.26Å; N788-Y1200 PolarHBondContact ND2-OH 2.95Å; N788-Y1200 PolarHBondContact OD1-OH 3.08Å; Y793-Y1200 WeakPolarHBondContact CE2-OH 3.31Å; Y793-Y1200 PolarHBondContact OH-OH 3.4Å; K823-Y1200 WeakPolarHBondContact CB-O 3.27Å; I1198-Y1200 HydrophobicContact CB-CD2 4.4Å; I1198-Y1200 HydrophobicContact CB-CE1 4.24Å; I1198-Y1200 HydrophobicContact CB-CE2 3.84Å; I1198-Y1200 WeakPolarHBondContact CD1-OH 3.41Å; I1198-Y1200 HydrophobicContact CG2-CD1 3.81Å; I1198-Y1200 HydrophobicContact CG2-CD2 4.25Å; I1198-Y1200 HydrophobicContact CG2-CE1 3.32Å; I1198-Y1200 HydrophobicContact CG2-CE2 3.83Å; I1198-Y1200 HydrophobicContact CG2-CG 4.23Å; I1198-Y1200 PolarHBondContact O-N 3.01Å
1201	S	53.4	Low	44.9	Very low	36 Å²	36	83.1 Å²	83.1	25%	0.252	48%	0.479	S	S	.	.			trans	-138.8	118.6	-173	-177	0	0	0	0	113.9	D1199 E1203 S1204	D1199-S1201 VanDerWaalsContact OD1-C 3.32Å; D1199-S1201 PolarHBondContact OD1-N 2.97Å; S1201-E1203 PolarHBondContact O-N 3.41Å; S1201-E1203 VanDerWaalsContact O-N 3.13Å; S1201-E1203 PolarHBondContact OG-N 3.42Å; S1201-E1203 VanDerWaalsContact OG-N 3.14Å; S1201-S1204 WeakPolarHBondContact O-CB 3.43Å; S1201-S1204 PolarHBondContact O-N 3.35Å; S1201-S1204 VanDerWaalsContact O-N 3.14Å; S1201-S1204 PolarHBondContact O-OG 3.37Å; S1201-S1204 PolarHBondContact OG-N 2.8Å
1202	A	43.2	Very low	43.3	Very low	10 Å²	10	89.5 Å²	89.5	8%	0.083	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.4	169	0	0	0	0	0	113.7	L322 R325 K326	L322-A1202 WeakPolarHBondContact CD1-O 3.16Å; R325-A1202 HydrophobicContact CB-CB 4.18Å; K326-A1202 WeakPolarHBondContact CE-O 3.44Å
1203	E	40.6	Very low	41.9	Very low	77 Å²	77	91.1 Å²	91.1	36%	0.36	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-7.7	174	-79.3	92.2	-170.8	0	0	114.5	K823 S1201 N1205	K823-E1203 IonicContact NZ-OE2 3.45Å; K823-E1203 PolarHBondContact NZ-OE2 3.1Å; S1201-E1203 PolarHBondContact O-N 3.41Å; S1201-E1203 VanDerWaalsContact O-N 3.13Å; S1201-E1203 PolarHBondContact OG-N 3.42Å; S1201-E1203 VanDerWaalsContact OG-N 3.14Å; E1203-N1205 PolarHBondContact O-N 3.45Å; E1203-N1205 PolarHBondContact O-ND2 3.22Å
1204	S	35.3	Very low	40.8	Very low	47 Å²	47	91.4 Å²	91.4	33%	0.329	51%	0.513	S	S	.	.			trans	-43.5	119	-178	48.5	0	0	0	0	113.1	S1201	S1201-S1204 WeakPolarHBondContact O-CB 3.43Å; S1201-S1204 PolarHBondContact O-N 3.35Å; S1201-S1204 VanDerWaalsContact O-N 3.14Å; S1201-S1204 PolarHBondContact O-OG 3.37Å; S1201-S1204 PolarHBondContact OG-N 2.8Å
1205	N	33.4	Very low	39.4	Very low	116 Å²	116	94.7 Å²	94.7	62%	0.62	54%	0.539	S	S	*	.			trans	-96.9	-1.5	-178.7	-81.3	-65.9	0	0	0	112.5	E1203 E1207	E1203-N1205 PolarHBondContact O-N 3.45Å; E1203-N1205 PolarHBondContact O-ND2 3.22Å; N1205-E1207 VanDerWaalsContact C-N 3.28Å; N1205-E1207 PolarHBondContact O-N 3.24Å
1206	D	31	Very low	38.2	Very low	147 Å²	147	92.2 Å²	92.2	79%	0.786	53%	0.534	S	S	*	.			trans	-80.2	66.1	-165.4	-54.1	-75.1	0	0	0	113.4
1207	E	29.3	Very low	36.5	Very low	95 Å²	95	94.1 Å²	94.1	44%	0.444	56%	0.559	S	S	.	*			trans	-108.3	77.2	151.4	-72.9	-159.5	119	0	0	110.2	K272 R279 N1205	K272-E1207 IonicContact NZ-OE1 2.78Å; K272-E1207 PolarHBondContact NZ-OE1 3.17Å; K272-E1207 IonicContact NZ-OE2 3.24Å; K272-E1207 PolarHBondContact NZ-OE2 2.89Å; R279-E1207 IonicContact NH1-OE2 3.39Å; R279-E1207 PolarHBondContact NH1-OE2 3.22Å; R279-E1207 VanDerWaalsContact NH1-OE2 3.14Å; R279-E1207 IonicContact NH2-OE2 3.95Å; N1205-E1207 VanDerWaalsContact C-N 3.28Å; N1205-E1207 PolarHBondContact O-N 3.24Å
1208	D	29.8	Very low	34.8	Very low	146 Å²	146	98.2 Å²	98.2	78%	0.781	57%	0.569	S	S	*	*			trans	-145.7	36.6	156.6	-103.7	-28.9	0	0	0	112.4	E1210	D1208-E1210 PolarHBondContact O-N 3.37Å
1209	A	25.1	Very low	33	Very low	99 Å²	99	100.3 Å²	100.3	82%	0.818	60%	0.596	S	S	*	*			trans	-67.3	80.3	157.5	0	0	0	0	0	109.6
1210	E	25.6	Very low	31.2	Very low	145 Å²	145	107.3 Å²	107.3	68%	0.678	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-56.8	132.1	162.6	-80.4	-156.6	163.9	0	0	107.6	D1208 E1212	D1208-E1210 PolarHBondContact O-N 3.37Å; E1210-E1212 PolarHBondContact O-N 3.19Å
1211	P	25.3	Very low	29.6	Very low	120 Å²	120	114 Å²	114	78%	0.779	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-60.8	127.7	176.9	25.8	-33.8	0	0	0	109.1	S1213	P1211-S1213 PolarHBondContact O-N 3.05Å; P1211-S1213 VanDerWaalsContact O-N 3.08Å
1212	E	23.8	Very low	28.2	Very low	195 Å²	195	119.4 Å²	119.4	91%	0.911	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-50.4	117.4	-173.1	-67.3	-164.9	126.5	0	0	111.3	E1210 D1214	E1210-E1212 PolarHBondContact O-N 3.19Å; E1212-D1214 PolarHBondContact O-N 3.24Å
1213	S	25	Very low	27.3	Very low	102 Å²	102	128 Å²	128	71%	0.713	72%	0.722	S	S	*	*			trans	-80.6	104.6	176.4	69.2	0	0	0	0	109	P1211 V1215	P1211-S1213 PolarHBondContact O-N 3.05Å; P1211-S1213 VanDerWaalsContact O-N 3.08Å; S1213-V1215 PolarHBondContact O-N 3.41Å
1214	D	24.3	Very low	26.5	Very low	133 Å²	133	132 Å²	132	71%	0.711	75%	0.746	S	S	*	*			trans	-21	101.3	-178.8	-64.1	-58.4	0	0	0	113.9	E1212 C1216	E1212-D1214 PolarHBondContact O-N 3.24Å; D1214-C1216 VanDerWaalsContact C-N 3.27Å; D1214-C1216 PolarHBondContact O-N 2.83Å
1215	V	25.7	Very low	26	Very low	143 Å²	143	137.6 Å²	137.6	87%	0.867	77%	0.767	S	S	*	*			trans	-79.5	84	170.7	-176.6	0	0	0	0	107.4	S1213 G1217	S1213-V1215 PolarHBondContact O-N 3.41Å; V1215-G1217 VanDerWaalsContact C-N 3.3Å; V1215-G1217 PolarHBondContact O-N 3.16Å
1216	C	24.6	Very low	25.6	Very low	113 Å²	113	139.8 Å²	139.8	76%	0.764	78%	0.777	S	S	*	*			trans	-61.4	94.9	165.3	-59.9	0	0	0	0	108.9	D1214	D1214-C1216 VanDerWaalsContact C-N 3.27Å; D1214-C1216 PolarHBondContact O-N 2.83Å
1217	G	25.1	Very low	25.3	Very low	62 Å²	62	136.6 Å²	136.6	64%	0.639	77%	0.767	S	S	*	*			trans	-66.2	144.8	156.6	0	0	0	0	0	109.3	V1215 G1219	V1215-G1217 VanDerWaalsContact C-N 3.3Å; V1215-G1217 PolarHBondContact O-N 3.16Å; G1217-G1219 PolarHBondContact O-N 2.6Å
1218	D	25.6	Very low	25	Very low	174 Å²	174	139.3 Å²	139.3	93%	0.93	78%	0.784	S	S	*	*			trans	-69.1	92.2	178.6	-75.6	-52.8	0	0	0	110.4	Q1220	D1218-Q1220 PolarHBondContact O-N 2.97Å
1219	G	25.2	Very low	24.8	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	78%	0.782	S	S	*	*			trans	-68.5	113.7	168.9	0	0	0	0	0	110.2	G1217 E1221	G1217-G1219 PolarHBondContact O-N 2.6Å; G1219-E1221 VanDerWaalsContact C-N 3.33Å; G1219-E1221 PolarHBondContact O-N 3.05Å
1220	Q	25.7	Very low	24.8	Very low	186 Å²	186	140.9 Å²	140.9	87%	0.869	78%	0.782	S	S	*	*			trans	-78.3	78.5	-177.2	-171.6	176.8	-17.1	0	0	111.1	D1218 N1222	D1218-Q1220 PolarHBondContact O-N 2.97Å; Q1220-N1222 PolarHBondContact O-N 3.1Å
1221	E	24.8	Very low	24.8	Very low	183 Å²	183	139.3 Å²	139.3	86%	0.855	78%	0.782	S	S	*	*			trans	-67.8	113.2	176.6	-68.6	-171.4	154.7	0	0	111.4	G1219	G1219-E1221 VanDerWaalsContact C-N 3.33Å; G1219-E1221 PolarHBondContact O-N 3.05Å
1222	N	24.3	Very low	24.9	Very low	149 Å²	149	141.3 Å²	141.3	80%	0.797	78%	0.784	S	S	*	*			trans	-72.7	130.4	161.1	-82.1	-28.8	0	0	0	108.9	Q1220	Q1220-N1222 PolarHBondContact O-N 3.1Å
1223	F	23.4	Very low	25.1	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.833	77%	0.774	S	S	*	*			trans	-61.9	136.1	161.4	-85.6	-107.1	0	0	0	109.7
1224	D	25.1	Very low	25.2	Very low	162 Å²	162	144.5 Å²	144.5	87%	0.866	78%	0.778	S	S	*	*			trans	-141.3	157	130.7	-125.5	-32.8	0	0	0	110.6
1225	Q	23.7	Very low	25.7	Very low	164 Å²	164	149.3 Å²	149.3	77%	0.766	80%	0.804	S	S	*	*			trans	-97	155.1	-161.5	-59.6	171.8	-4.8	0	0	112.8
1226	L	25.7	Very low	25.7	Very low	162 Å²	162	149.7 Å²	149.7	85%	0.848	80%	0.801	S	S	*	*				-169.5	109.8	129.6	-102.7	162.9	0	0	0	113.1
1227	S	23.9	Very low	25.8	Very low	80 Å²	80	151.6 Å²	151.6	56%	0.559	80%	0.803	S	S	*	*			trans	31.7	123.8	144.8	62.8	0	0	0	0	122.2
1228	D	24.3	Very low	25.8	Very low	153 Å²	153	156.6 Å²	156.6	82%	0.818	81%	0.812	S	S	*	*				66.1	143.6	120.6	-54.5	-16.9	0	0	0	121.3
1229	S	24.7	Very low	25.8	Very low	103 Å²	103	155.5 Å²	155.5	72%	0.72	81%	0.805	S	S	*	*			cis	-164.8	160.3	-11.1	47.3	0	0	0	0	113.2
1230	E	25.4	Very low	25.9	Very low	175 Å²	175	161.2 Å²	161.2	82%	0.818	81%	0.814	S	S	*	*			trans	48.3	110.2	149.4	-67.7	-162.3	155	0	0	123.9
1231	T	24.5	Very low	25.9	Very low	112 Å²	112	159.5 Å²	159.5	69%	0.687	81%	0.81	S	S	*	*				68.3	123.1	115.2	-37.8	0	0	0	0	120.9
1232	I	27.6	Very low	26	Very low	161 Å²	161	157.9 Å²	157.9	83%	0.826	81%	0.807	S	S	*	*				-179.1	153.2	113.1	-90.9	172.3	0	0	0	113.3
1233	H	27.7	Very low	26.1	Very low	150 Å²	150	158.5 Å²	158.5	69%	0.694	81%	0.808	S	S	*	*			trans	-52.2	147.1	-169.9	-72.1	-68.3	0	0	0	121.9
1234	R	27.1	Very low	26.3	Very low	214 Å²	214	155.9 Å²	155.9	81%	0.808	81%	0.806	S	S	*	*				37.2	131.7	126	-60.5	179.4	170.3	170.7	-3.9	120.3
1235	N	35.9	Very low	26.4	Very low	235 Å²	235	155.4 Å²	155.4	100%	1.257	80%	0.8	S	S	*	*				-132.2	0	90	-94.1	-37.3	0	0	0	110.2

Retrieved 1,235 of 1,235 residues in 417.9 ms (Link to these results)

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