A0A096N8P3_PAPAN Loading...

Potassium voltage-gated channel subfamily H member 1

AlphaFold DB (A0A2K5Z1C5), UniProt , Accession A0A096N8P3, Species PAPAN (Papio anubis, Olive baboon), Gene KCNH1, Length 989 aa.

						>A0A096N8P3_PAPAN|A0A096N8P3|KCNH1
MTMAGGRRGLVAPQNTFLENIVRRSNDTNFVLGNAQIVDWPIVYSNDGFCKLSGYHRAEVMQKSSTCSFMYGELTDKDTIEKVRQTFENYEMNSFEILMYKKNRTPVWFFVKIAPIRNEQDKVVLFLCTFSDITAFKQPIEDDSCKGWGKFARLTRALTSSRGVLQQLAPSVQKGENVHKHSRLAEVLQLGSDILPQYKQEAPKTPPHIILHYCVFKTTWDWIILILTFYTAILVPYNVSFKTRQNNVAWLVVDSIVDVIFLVDIVLNFHTTFVGPAGEVISDPKLIRMNYLKTWFVIDLLSCLPYDVINAFENVDEVSAFMGDPGKIGFADQIPPPLEGRESQGISSLFSSLKVVRLLRLGRVARKLDHYIEYGAAVLVLLVCVFGLAAHWMACIWYSIGDYEIFDEDTKTIRNNSWLYQLAMDIGTPYQFNGSGSGKWEGGPSKNSVYISSLYFTMTSLTSVGFGNIAPSTDIEKIFAVAIMMIGSLLYATIFGNVTTIFQQMYANTNRYHEMLNSVRDFLKLYQVPKGLSERVMDYIVSTWSMSRGIDTEKVLQICPKDMRADICVHLNRKVFKEHPAFRLASDGCLRALAMEFQTVHCAPGDLIYHAGESVDSLCFVVSGSLEVIQDDEVVAILGKGDVFGDVFWKEATLAQSCANVRALTYCDLHVIKRDALQKVLEFYTAFSHSFSRNLILTYNLRKRIVFRKISDVKREEEERMKRKNEAPLILPPDHPVRRLFQRFRQQKEARLAAERGGRDLDDLDVEKGNVLTEHASANHSLMKASVVTVRESPATPVSFQAASTSGVPDHAKLHAPGSECLGPKAGGGDCAKRKGWARFKDACGKGEEWNKVSKAESMETLPERTKASGEATLKKTDSCDSGITKSDLRLDNVGEARSPQDRSPILAEVKHSFYPIPEQTLQATVLEVRHELKEDIKALNAKMTNIEKQLSEILRILTSRRSSQSPQELFEISRPQSPESERDIFGAS
					

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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	30.4	Very low	38.4	Very low	247 Å²	247	120.7 Å²	120.7	100%	1.217	67%	0.666	S	S	*	*				0	141.7	0	-81.4	160.8	156.8	0	0	108.5
2	T	25	Very low	40.1	Very low	141 Å²	141	114.5 Å²	114.5	87%	0.865	64%	0.642	S	S	*	*			trans	-83.8	127.6	175	29.4	0	0	0	0	110.7	A4	T2-A4 PolarHBondContact O-N 2.78Å
3	M	29.1	Very low	41.7	Very low	194 Å²	194	111.5 Å²	111.5	96%	0.956	63%	0.63	S	S	*	*			trans	-70	86.2	179.8	-79.9	-77.2	-148.2	0	0	111.8	G5	M3-G5 PolarHBondContact O-N 2.75Å; M3-G5 VanDerWaalsContact O-N 3.14Å
4	A	28.3	Very low	43.3	Very low	88 Å²	88	111.3 Å²	111.3	73%	0.727	62%	0.621	S	S	*	*			trans	-83	39.8	173	0	0	0	0	0	113	T2 G6	T2-A4 PolarHBondContact O-N 2.78Å; A4-G6 PolarHBondContact O-N 3.43Å
5	G	37	Very low	45.1	Very low	46 Å²	46	107.5 Å²	107.5	47%	0.474	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-73	-20.4	-171.6	0	0	0	0	0	115.7	M3 R7	M3-G5 PolarHBondContact O-N 2.75Å; M3-G5 VanDerWaalsContact O-N 3.14Å; G5-R7 PolarHBondContact O-N 3.07Å
6	G	34.5	Very low	46.7	Very low	64 Å²	64	103.1 Å²	103.1	66%	0.66	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-83.7	9.9	-165.4	0	0	0	0	0	118.2	A4	A4-G6 PolarHBondContact O-N 3.43Å
7	R	36.7	Very low	48.5	Very low	202 Å²	202	97.4 Å²	97.4	76%	0.762	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-136.4	21.6	-173.6	-64	-167.3	-173	-179.6	3.6	115.7	G5 G9 G278	G5-R7 PolarHBondContact O-N 3.07Å; R7-G9 PolarHBondContact O-N 3.45Å; R7-G278 WeakPolarHBondContact O-CA 3.41Å
8	R	42.4	Very low	50	Low	154 Å²	154	95.8 Å²	95.8	58%	0.581	53%	0.534	S	S	*	.	S	Bend	trans	-91.2	104.4	179.5	-70.4	177.6	168.9	-159.8	-4.3	111.2	V274 D369	R8-V274 HydrophobicContact CB-CG1 4.45Å; R8-D369 IonicContact CZ-OD2 3.14Å; R8-D369 VanDerWaalsContact CZ-OD2 3.3Å; R8-D369 IonicContact NH1-OD2 3.62Å; R8-D369 PolarHBondContact NH1-OD2 3.14Å; R8-D369 IonicContact NH2-OD2 2.68Å; R8-D369 PolarHBondContact NH2-OD2 3.01Å
9	G	50	Low	51.2	Low	8 Å²	8	97.7 Å²	97.7	8%	0.082	54%	0.538	C	S	.	.	S	Bend	trans	77.3	20.7	164.6	0	0	0	0	0	116.8	R7 V11 G278	R7-G9 PolarHBondContact O-N 3.45Å; G9-V11 PolarHBondContact O-N 2.58Å; G9-G278 PolarHBondContact N-O 2.84Å
10	L	51.2	Low	52.4	Low	140 Å²	140	94.9 Å²	94.9	73%	0.733	52%	0.522	S	S	*	.			trans	-67.2	92.4	179.7	-82.8	170.8	0	0	0	112.4	A12	L10-A12 PolarHBondContact O-N 2.84Å
11	V	57.4	Low	53.6	Low	44 Å²	44	90.8 Å²	90.8	27%	0.267	50%	0.5	S	S	.	.			trans	-84.2	93.7	167.8	178.9	0	0	0	0	109.7	G9 P203 Y213 V280	G9-V11 PolarHBondContact O-N 2.58Å; V11-P203 HydrophobicContact CG1-CG 3.43Å; V11-P203 VanDerWaalsContact CG1-CG 3.43Å; V11-Y213 HydrophobicContact CB-CE1 4.11Å; V11-Y213 WeakPolarHBondContact CB-OH 3.33Å; V11-Y213 WeakPolarHBondContact CG1-OH 3.28Å; V11-Y213 HydrophobicContact CG2-CE1 3.67Å; V11-V280 HydrophobicContact CG2-CB 4.15Å; V11-V280 HydrophobicContact CG2-CG1 4.47Å; V11-V280 HydrophobicContact CG2-CG2 3.67Å
12	A	59.2	Low	55.7	Low	46 Å²	46	82.3 Å²	82.3	38%	0.38	46%	0.462	S	S	.	.			trans	-78.8	150	161	0	0	0	0	0	110.1	L10 Q14	L10-A12 PolarHBondContact O-N 2.84Å; A12-Q14 HydrophobicContact CB-CG 4.33Å; A12-Q14 PolarHBondContact O-N 2.85Å
13	P	61.1	Low	57.8	Low	75 Å²	75	84.1 Å²	84.1	49%	0.487	45%	0.453	S	S	.	.			trans	-62.3	131.3	161	28.8	-33	0	0	0	108.7	E201	P13-E201 WeakPolarHBondContact CA-O 3.18Å
14	Q	63.3	Low	59.8	Low	109 Å²	109	79.8 Å²	79.8	51%	0.509	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-137.2	134.1	-172	-74.1	-179.2	5.3	0	0	110.6	A12 T16 E201	A12-Q14 HydrophobicContact CB-CG 4.33Å; A12-Q14 PolarHBondContact O-N 2.85Å; Q14-T16 HydrophobicContact CB-CG2 4.05Å; Q14-T16 PolarHBondContact O-N 2.9Å; Q14-E201 PolarHBondContact N-O 3.37Å
15	N	70.8	Confident	61.5	Low	54 Å²	54	75.9 Å²	75.9	29%	0.289	39%	0.393	S	S	.	.			trans	-78.3	71	175.2	-165.6	-9.3	0	0	0	110.7	F17 Y198 Q200	N15-F17 PolarHBondContact O-N 3.47Å; N15-F17 WeakPolarHBondContact OD1-CB 3.26Å; N15-F17 PolarHBondContact OD1-N 3.23Å; N15-Y198 WeakPolarHBondContact ND2-CE2 3.5Å; N15-Q200 HydrophobicContact CB-CG 4.34Å
16	T	71.2	Confident	62.4	Low	37 Å²	37	80 Å²	80	23%	0.227	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	15.6	177.6	54.6	0	0	0	0	113	Q14 L18 E19 N20	Q14-T16 HydrophobicContact CB-CG2 4.05Å; Q14-T16 PolarHBondContact O-N 2.9Å; T16-L18 PolarHBondContact O-N 3.02Å; T16-E19 PolarHBondContact O-N 2.72Å; T16-N20 WeakPolarHBondContact O-CB 3.21Å; T16-N20 PolarHBondContact O-N 2.99Å; T16-N20 PolarHBondContact O-ND2 3.47Å; T16-N20 PolarHBondContact OG1-ND2 2.76Å
17	F	76.9	Confident	63.8	Low	7 Å²	7	83.1 Å²	83.1	3%	0.031	41%	0.405	C	S	.	.	H	α-helix	trans	-53.2	-48.1	-177.7	166.7	-97	0	0	0	113.2	N15 N20 I21 L32 I116 L125 P196 Y198	N15-F17 PolarHBondContact O-N 3.47Å; N15-F17 WeakPolarHBondContact OD1-CB 3.26Å; N15-F17 PolarHBondContact OD1-N 3.23Å; F17-N20 PolarHBondContact O-N 3.11Å; F17-I21 HydrophobicContact CD1-CD1 4.37Å; F17-I21 HydrophobicContact CD2-CD1 4.34Å; F17-I21 HydrophobicContact CE1-CD1 3.75Å; F17-I21 HydrophobicContact CE2-CD1 3.69Å; F17-I21 HydrophobicContact CZ-CD1 3.34Å; F17-I21 WeakPolarHBondContact O-CG1 3.34Å; F17-I21 PolarHBondContact O-N 3.2Å; F17-L32 HydrophobicContact CE1-CD1 3.79Å; F17-L32 HydrophobicContact CE1-CD2 4.18Å; F17-L32 HydrophobicContact CZ-CD1 4.47Å; F17-L32 HydrophobicContact CZ-CD2 4.04Å; F17-I116 HydrophobicContact CE2-CD1 4.08Å; F17-I116 HydrophobicContact CE2-CG1 4.29Å; F17-I116 HydrophobicContact CE2-CG2 3.71Å; F17-I116 HydrophobicContact CZ-CD1 3.58Å; F17-I116 HydrophobicContact CZ-CG1 4.28Å; F17-I116 HydrophobicContact CZ-CG2 4.15Å; F17-L125 HydrophobicContact CE1-CD1 4.14Å; F17-L125 HydrophobicContact CZ-CD1 4.28Å; F17-P196 HydrophobicContact CD2-CB 4.08Å; F17-P196 HydrophobicContact CD2-CG 3.98Å; F17-P196 WeakPolarHBondContact CD2-O 3.26Å; F17-P196 HydrophobicContact CE2-CG 4.15Å; F17-P196 VanDerWaalsContact CE2-O 3.3Å; F17-P196 WeakPolarHBondContact CE2-O 3.19Å; F17-Y198 HydrophobicContact CB-CD2 4.43Å; F17-Y198 AromaticContact CD1-CD2 3.88Å; F17-Y198 HydrophobicContact CD1-CD2 3.88Å; F17-Y198 HydrophobicContact CD1-CE2 4.36Å; F17-Y198 HydrophobicContact CD2-CD2 4.49Å; F17-Y198 HydrophobicContact CE1-CD2 4.26Å; F17-Y198 HydrophobicContact CG-CD2 4.02Å
18	L	74.9	Confident	65.6	Low	69 Å²	69	74.7 Å²	74.7	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-64	-43.5	178.4	-75.4	174.3	0	0	0	112	T16 I21 V22 L32 Y44	T16-L18 PolarHBondContact O-N 3.02Å; L18-I21 PolarHBondContact O-N 3.47Å; L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.22Å; L18-V22 PolarHBondContact O-N 2.82Å; L18-L32 HydrophobicContact CD2-CD1 3.49Å; L18-L32 VanDerWaalsContact CD2-CD1 3.49Å; L18-Y44 HydrophobicContact CD2-CD1 4.11Å; L18-Y44 HydrophobicContact CD2-CE1 4.21Å; L18-Y44 HydrophobicContact CD2-CG 4.3Å
19	E	73.7	Confident	67.8	Low	131 Å²	131	68.8 Å²	68.8	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-66.1	-39.2	178.8	-59.4	-179.9	153.1	0	0	111.6	T16 V22 R23	T16-E19 PolarHBondContact O-N 2.72Å; E19-V22 PolarHBondContact O-N 3.31Å; E19-R23 WeakPolarHBondContact O-CB 3.36Å; E19-R23 PolarHBondContact O-N 2.99Å
20	N	75.1	Confident	69.7	Low	42 Å²	42	68.4 Å²	68.4	23%	0.225	35%	0.353	C	S	.	.	H	α-helix	trans	-65.7	-36.4	175.1	-81.6	-60.4	0	0	0	112.5	T16 F17 R24 P196	T16-N20 WeakPolarHBondContact O-CB 3.21Å; T16-N20 PolarHBondContact O-N 2.99Å; T16-N20 PolarHBondContact O-ND2 3.47Å; T16-N20 PolarHBondContact OG1-ND2 2.76Å; F17-N20 PolarHBondContact O-N 3.11Å; N20-R24 WeakPolarHBondContact O-CB 3.35Å; N20-R24 WeakPolarHBondContact O-CD 3.45Å; N20-R24 WeakPolarHBondContact O-CG 3.46Å; N20-R24 PolarHBondContact O-N 2.92Å; N20-P196 HydrophobicContact CB-CB 4.38Å; N20-P196 HydrophobicContact CB-CG 4.47Å
21	I	76.8	Confident	71.7	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.046	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-57.6	169.8	-65.9	174	0	0	0	109	F17 L18 R23 R24 S25 F30 L32 L127 P196	F17-I21 HydrophobicContact CD1-CD1 4.37Å; F17-I21 HydrophobicContact CD2-CD1 4.34Å; F17-I21 HydrophobicContact CE1-CD1 3.75Å; F17-I21 HydrophobicContact CE2-CD1 3.69Å; F17-I21 HydrophobicContact CZ-CD1 3.34Å; F17-I21 WeakPolarHBondContact O-CG1 3.34Å; F17-I21 PolarHBondContact O-N 3.2Å; L18-I21 PolarHBondContact O-N 3.47Å; I21-R23 VanDerWaalsContact C-N 3.31Å; I21-R23 PolarHBondContact O-N 3.44Å; I21-R24 CarbonylContact O-C 3.56Å; I21-R24 PolarHBondContact O-N 2.97Å; I21-S25 WeakPolarHBondContact O-CB 3.46Å; I21-S25 PolarHBondContact O-N 3.43Å; I21-S25 PolarHBondContact O-OG 3.24Å; I21-F30 HydrophobicContact CB-CZ 4.28Å; I21-F30 HydrophobicContact CG2-CD1 4.05Å; I21-F30 HydrophobicContact CG2-CD2 4.36Å; I21-F30 HydrophobicContact CG2-CE1 3.55Å; I21-F30 HydrophobicContact CG2-CE2 3.89Å; I21-F30 HydrophobicContact CG2-CG 4.44Å; I21-F30 HydrophobicContact CG2-CZ 3.46Å; I21-F30 VanDerWaalsContact CG2-CZ 3.46Å; I21-L32 HydrophobicContact CD1-CD2 4.35Å; I21-L127 HydrophobicContact CD1-CD1 4.45Å; I21-L127 HydrophobicContact CD1-CD2 4.36Å; I21-P196 HydrophobicContact CG1-CG 3.93Å
22	V	74.6	Confident	73.4	Confident	69 Å²	69	59.9 Å²	59.9	42%	0.418	31%	0.306	S	S	.	.	H	α-helix	trans	-53.5	-44	-176.5	172.3	0	0	0	0	112.8	L18 E19 R24 S25 F30	L18-V22 VanDerWaalsContact O-CG2 3.27Å; L18-V22 WeakPolarHBondContact O-CG2 3.22Å; L18-V22 PolarHBondContact O-N 2.82Å; E19-V22 PolarHBondContact O-N 3.31Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.27Å; V22-S25 WeakPolarHBondContact CA-OG 3.36Å; V22-S25 PolarHBondContact O-N 2.65Å; V22-S25 PolarHBondContact O-OG 3.09Å; V22-F30 HydrophobicContact CG2-CE1 4.34Å; V22-F30 HydrophobicContact CG2-CZ 4.16Å
23	R	70.3	Confident	75.1	Confident	179 Å²	179	57.7 Å²	57.7	68%	0.675	29%	0.288	S	S	*	.	H	α-helix	trans	-70	-24.5	180	-168.5	178.7	74.6	104.1	-1.5	113.9	E19 I21 N26	E19-R23 WeakPolarHBondContact O-CB 3.36Å; E19-R23 PolarHBondContact O-N 2.99Å; I21-R23 VanDerWaalsContact C-N 3.31Å; I21-R23 PolarHBondContact O-N 3.44Å; R23-N26 PolarHBondContact O-OD1 3.45Å
24	R	69.5	Low	76.7	Confident	102 Å²	102	55.7 Å²	55.7	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-86.8	-29.7	171	-69	172.8	-178.7	-149.3	6.6	111.6	N20 I21 V22 N26 L190 D193 I194	N20-R24 WeakPolarHBondContact O-CB 3.35Å; N20-R24 WeakPolarHBondContact O-CD 3.45Å; N20-R24 WeakPolarHBondContact O-CG 3.46Å; N20-R24 PolarHBondContact O-N 2.92Å; I21-R24 CarbonylContact O-C 3.56Å; I21-R24 PolarHBondContact O-N 2.97Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.27Å; R24-N26 PolarHBondContact O-N 3.18Å; R24-L190 HydrophobicContact CB-CD1 4.06Å; R24-D193 PolarHBondContact NH1-O 3.35Å; R24-I194 PolarHBondContact NH1-O 3.44Å; R24-I194 PolarHBondContact NH2-O 2.99Å
25	S	64.8	Low	78.1	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.042	25%	0.25	C	C	.	.			trans	-94.9	31	-167.2	84.8	0	0	0	0	113.3	I21 V22 D27 T28	I21-S25 WeakPolarHBondContact O-CB 3.46Å; I21-S25 PolarHBondContact O-N 3.43Å; I21-S25 PolarHBondContact O-OG 3.24Å; V22-S25 WeakPolarHBondContact CA-OG 3.36Å; V22-S25 PolarHBondContact O-N 2.65Å; V22-S25 PolarHBondContact O-OG 3.09Å; S25-D27 VanDerWaalsContact C-N 3.29Å; S25-D27 PolarHBondContact O-N 3Å; S25-T28 VanDerWaalsContact CB-OG1 3.26Å; S25-T28 WeakPolarHBondContact CB-OG1 3.31Å; S25-T28 PolarHBondContact O-N 3.43Å; S25-T28 PolarHBondContact O-OG1 3.43Å
26	N	56.3	Low	79	Confident	132 Å²	132	53.9 Å²	53.9	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-35.9	-156.2	-79.3	-33.1	0	0	0	116.7	R23 R24	R23-N26 PolarHBondContact O-OD1 3.45Å; R24-N26 PolarHBondContact O-N 3.18Å
27	D	64.2	Low	80	Confident	130 Å²	130	56.4 Å²	56.4	70%	0.695	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	9.2	175.7	-83.8	-52.8	0	0	0	113.9	S25	S25-D27 VanDerWaalsContact C-N 3.29Å; S25-D27 PolarHBondContact O-N 3Å
28	T	74.4	Confident	80.7	Confident	26 Å²	26	62 Å²	62	16%	0.16	31%	0.309	C	S	.	.			trans	-99.3	150.6	-173.5	70.5	0	0	0	0	113.5	S25 N46	S25-T28 VanDerWaalsContact CB-OG1 3.26Å; S25-T28 WeakPolarHBondContact CB-OG1 3.31Å; S25-T28 PolarHBondContact O-N 3.43Å; S25-T28 PolarHBondContact O-OG1 3.43Å; T28-N46 PolarHBondContact O-ND2 2.67Å
29	N	88.2	Confident	81.3	Confident	30 Å²	30	64.2 Å²	64.2	16%	0.16	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.1	-174.5	-45.9	-83	0	0	0	109.2	N46 G48 F49 L52 T129 F130	N29-N46 WeakPolarHBondContact CA-OD1 3.46Å; N29-G48 WeakPolarHBondContact OD1-CA 3.21Å; N29-G48 PolarHBondContact OD1-O 3.32Å; N29-F49 HydrophobicContact CB-CB 4.34Å; N29-L52 HydrophobicContact CB-CD2 3.78Å; N29-T129 CarbonylContact O-C 3.57Å; N29-T129 WeakPolarHBondContact O-CA 3.38Å; N29-F130 HydrophobicContact CB-CB 4.4Å; N29-F130 WeakPolarHBondContact CB-O 3.5Å; N29-F130 PolarHBondContact ND2-O 3.42Å; N29-F130 VanDerWaalsContact ND2-O 3.13Å; N29-F130 PolarHBondContact O-N 3.3Å
30	F	90.4	Very high	82.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.1	-179	73.6	-93.4	0	0	0	114.8	I21 V22 L32 Y44 N46 L127 C128 T129	I21-F30 HydrophobicContact CB-CZ 4.28Å; I21-F30 HydrophobicContact CG2-CD1 4.05Å; I21-F30 HydrophobicContact CG2-CD2 4.36Å; I21-F30 HydrophobicContact CG2-CE1 3.55Å; I21-F30 HydrophobicContact CG2-CE2 3.89Å; I21-F30 HydrophobicContact CG2-CG 4.44Å; I21-F30 HydrophobicContact CG2-CZ 3.46Å; I21-F30 VanDerWaalsContact CG2-CZ 3.46Å; V22-F30 HydrophobicContact CG2-CE1 4.34Å; V22-F30 HydrophobicContact CG2-CZ 4.16Å; F30-L32 HydrophobicContact CD2-CG 4.36Å; F30-L32 HydrophobicContact CE2-CD1 4.35Å; F30-L32 HydrophobicContact CE2-CG 4.27Å; F30-Y44 AromaticContact CE2-CD1 3.86Å; F30-Y44 HydrophobicContact CE2-CD1 3.86Å; F30-Y44 AromaticContact CE2-CE1 3.65Å; F30-Y44 HydrophobicContact CE2-CE1 3.65Å; F30-Y44 AromaticContact CZ-CE1 3.84Å; F30-Y44 HydrophobicContact CZ-CE1 3.84Å; F30-N46 HydrophobicContact CD1-CB 3.96Å; F30-N46 VanDerWaalsContact CD1-ND2 3.34Å; F30-N46 WeakPolarHBondContact CD1-ND2 3.34Å; F30-N46 HydrophobicContact CE1-CB 3.72Å; F30-N46 HydrophobicContact CG-CB 4.46Å; F30-N46 HydrophobicContact CZ-CB 4.02Å; F30-N46 PolarHBondContact N-OD1 2.75Å; F30-N46 PolarHBondContact O-N 3.45Å; F30-N46 PolarHBondContact O-OD1 3.19Å; F30-L127 HydrophobicContact CB-CD1 3.82Å; F30-L127 HydrophobicContact CD2-CD1 3.61Å; F30-L127 HydrophobicContact CE2-CD1 4.41Å; F30-L127 HydrophobicContact CG-CD1 3.9Å; F30-C128 WeakPolarHBondContact CA-O 2.83Å; F30-C128 WeakPolarHBondContact CB-O 3.48Å; F30-T129 HydrophobicContact CB-CG2 4.11Å
31	V	93	Very high	83.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.2	164.9	-45.5	0	0	0	0	110.4	I42 Y44 F49 C128 F130	V31-I42 HydrophobicContact CB-CD1 4.42Å; V31-I42 HydrophobicContact CB-CG1 4.42Å; V31-I42 HydrophobicContact CB-CG2 4.01Å; V31-I42 HydrophobicContact CG2-CD1 3.99Å; V31-I42 HydrophobicContact CG2-CG1 3.95Å; V31-I42 HydrophobicContact CG2-CG2 4.43Å; V31-Y44 CarbonylContact C-O 3.57Å; V31-Y44 VanDerWaalsContact CA-O 3.27Å; V31-Y44 WeakPolarHBondContact CA-O 3.45Å; V31-Y44 WeakPolarHBondContact CB-O 3.38Å; V31-F49 HydrophobicContact CG1-CB 4.31Å; V31-F49 HydrophobicContact CG1-CD1 3.61Å; V31-F49 HydrophobicContact CG1-CD2 3.73Å; V31-F49 HydrophobicContact CG1-CE1 3.79Å; V31-F49 HydrophobicContact CG1-CE2 3.89Å; V31-F49 HydrophobicContact CG1-CG 3.58Å; V31-F49 HydrophobicContact CG1-CZ 3.92Å; V31-C128 HydrophobicContact CG2-CB 4.08Å; V31-C128 PolarHBondContact N-O 2.91Å; V31-C128 PolarHBondContact O-N 3.29Å; V31-F130 HydrophobicContact CG1-CE2 4.11Å; V31-F130 HydrophobicContact CG2-CE2 3.99Å; V31-F130 HydrophobicContact CG2-CZ 4.33Å
32	L	93.1	Very high	84.3	Confident	4 Å²	4	58 Å²	58	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.3	172.4	-66.3	166.7	0	0	0	109.4	F17 L18 I21 F30 I42 V43 Y44 I116 F126 L127	F17-L32 HydrophobicContact CE1-CD1 3.79Å; F17-L32 HydrophobicContact CE1-CD2 4.18Å; F17-L32 HydrophobicContact CZ-CD1 4.47Å; F17-L32 HydrophobicContact CZ-CD2 4.04Å; L18-L32 HydrophobicContact CD2-CD1 3.49Å; L18-L32 VanDerWaalsContact CD2-CD1 3.49Å; I21-L32 HydrophobicContact CD1-CD2 4.35Å; F30-L32 HydrophobicContact CD2-CG 4.36Å; F30-L32 HydrophobicContact CE2-CD1 4.35Å; F30-L32 HydrophobicContact CE2-CG 4.27Å; L32-I42 CarbonylContact O-C 3.59Å; L32-I42 WeakPolarHBondContact O-CA 3.41Å; L32-V43 HydrophobicContact CB-CG2 4.08Å; L32-V43 WeakPolarHBondContact O-CG2 3.38Å; L32-V43 PolarHBondContact O-N 3.22Å; L32-Y44 HydrophobicContact CD1-CD1 4.06Å; L32-Y44 HydrophobicContact CD1-CG 4.4Å; L32-Y44 PolarHBondContact N-O 2.91Å; L32-Y44 PolarHBondContact O-N 3.33Å; L32-I116 HydrophobicContact CD2-CD1 3.8Å; L32-F126 CarbonylContact C-O 3.58Å; L32-F126 VanDerWaalsContact CA-O 3.27Å; L32-F126 WeakPolarHBondContact CA-O 3.3Å; L32-L127 HydrophobicContact CD2-CB 4.14Å; L32-L127 HydrophobicContact CD2-CD1 3.92Å
33	G	94	Very high	85.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	150.5	170.9	0	0	0	0	0	111.7	P41 L125 F126	G33-P41 WeakPolarHBondContact CA-O 3.38Å; G33-L125 CarbonylContact O-C 3.31Å; G33-L125 VanDerWaalsContact O-CA 3.25Å; G33-L125 WeakPolarHBondContact O-CA 3.46Å; G33-L125 WeakPolarHBondContact O-CD2 3.35Å; G33-F126 PolarHBondContact N-O 3.43Å; G33-F126 PolarHBondContact O-N 2.89Å
34	N	94.3	Very high	86.3	Confident	34 Å²	34	52.1 Å²	52.1	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.4	167.7	-170.4	-53.8	0	0	0	109.9	Q36 I37 W40 P41 V43	N34-Q36 PolarHBondContact OD1-N 3.14Å; N34-I37 HydrophobicContact CB-CB 4.42Å; N34-I37 HydrophobicContact CB-CD1 4.14Å; N34-I37 HydrophobicContact CB-CG1 4.35Å; N34-I37 WeakPolarHBondContact ND2-CD1 3.41Å; N34-I37 PolarHBondContact OD1-N 3.45Å; N34-W40 WeakPolarHBondContact O-CA 3.37Å; N34-P41 HydrophobicContact CB-CG 4.38Å; N34-P41 PolarHBondContact N-O 3.14Å; N34-V43 HydrophobicContact CB-CG1 4.21Å
35	A	93.1	Very high	87.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.008	25%	0.249	C	C	.	.	S	Bend	trans	-86.3	-11.1	-176.8	0	0	0	0	0	114.5	Y90 V123 V124 F126	A35-Y90 HydrophobicContact CB-CE1 4.21Å; A35-V123 HydrophobicContact CB-CG1 3.76Å; A35-V124 VanDerWaalsContact CB-C 3.47Å; A35-V124 PolarHBondContact N-O 3.3Å; A35-F126 HydrophobicContact CB-CD2 3.57Å; A35-F126 HydrophobicContact CB-CE2 3.52Å; A35-F126 HydrophobicContact CB-CZ 4.47Å
36	Q	90.9	Very high	88.6	Confident	123 Å²	123	47.9 Å²	47.9	58%	0.575	25%	0.252	S	S	*	.	S	Bend	trans	-112.4	-8.9	-171.1	-59.2	-178.2	-12.5	0	0	113.3	N34 V123	N34-Q36 PolarHBondContact OD1-N 3.14Å; Q36-V123 PolarHBondContact NE2-O 2.92Å
37	I	92.4	Very high	90.1	Very high	91 Å²	91	45.9 Å²	45.9	47%	0.467	24%	0.241	S	C	.	.	S	Bend	trans	-101.4	136.5	176.1	-58.1	172.3	0	0	0	108.6	N34 W40 P41	N34-I37 HydrophobicContact CB-CB 4.42Å; N34-I37 HydrophobicContact CB-CD1 4.14Å; N34-I37 HydrophobicContact CB-CG1 4.35Å; N34-I37 WeakPolarHBondContact ND2-CD1 3.41Å; N34-I37 PolarHBondContact OD1-N 3.45Å; I37-W40 WeakPolarHBondContact O-CA 3.28Å; I37-W40 PolarHBondContact O-N 3.26Å; I37-W40 VanDerWaalsContact O-N 3.08Å; I37-P41 HydrophobicContact CB-CG 3.94Å; I37-P41 HydrophobicContact CD1-CG 4.36Å; I37-P41 HydrophobicContact CG2-CG 3.75Å
38	V	89.7	Confident	91.2	Very high	123 Å²	123	40.6 Å²	40.6	75%	0.745	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	146.9	176.2	-175.1	0	0	0	0	110.9	W40 P41	V38-W40 PolarHBondContact O-N 3.1Å; V38-W40 VanDerWaalsContact O-N 3.12Å; V38-P41 WeakPolarHBondContact O-CD 3.37Å
39	D	89.2	Confident	92	Very high	116 Å²	116	39.4 Å²	39.4	62%	0.62	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	2.4	-171.5	-55.5	-38.8	0	0	0	115.6	S64	D39-S64 VanDerWaalsContact O-CA 3.29Å; D39-S64 WeakPolarHBondContact O-CA 3.1Å; D39-S64 WeakPolarHBondContact O-CB 3.26Å; D39-S64 PolarHBondContact O-OG 2.78Å
40	W	95.1	Very high	92.1	Very high	38 Å²	38	38.9 Å²	38.9	14%	0.144	21%	0.208	C	C	.	.			trans	50.4	62.4	177.5	-49.1	-72.7	0	0	0	113.5	N34 I37 V38 S65 T66 R84 F87 E88 F126	N34-W40 WeakPolarHBondContact O-CA 3.37Å; I37-W40 WeakPolarHBondContact O-CA 3.28Å; I37-W40 PolarHBondContact O-N 3.26Å; I37-W40 VanDerWaalsContact O-N 3.08Å; V38-W40 PolarHBondContact O-N 3.1Å; V38-W40 VanDerWaalsContact O-N 3.12Å; W40-S65 VanDerWaalsContact CB-OG 3.26Å; W40-S65 WeakPolarHBondContact CB-OG 3.29Å; W40-S65 WeakPolarHBondContact O-CB 3.32Å; W40-S65 PolarHBondContact O-N 2.83Å; W40-S65 PolarHBondContact O-OG 3.35Å; W40-S65 VanDerWaalsContact O-OG 3.08Å; W40-T66 HydrophobicContact CE3-CG2 4.06Å; W40-T66 HydrophobicContact CZ3-CG2 4.21Å; W40-R84 HydrophobicContact CH2-CG 4.33Å; W40-R84 HydrophobicContact CZ3-CG 4.35Å; W40-F87 HydrophobicContact CB-CD1 4.48Å; W40-F87 HydrophobicContact CD2-CB 3.78Å; W40-F87 HydrophobicContact CD2-CD1 4.21Å; W40-F87 HydrophobicContact CD2-CG 4.12Å; W40-F87 HydrophobicContact CE3-CB 3.91Å; W40-F87 HydrophobicContact CE3-CG 4.15Å; W40-F87 HydrophobicContact CG-CD1 4.16Å; W40-F87 HydrophobicContact CH2-CB 3.76Å; W40-F87 HydrophobicContact CZ2-CB 3.62Å; W40-F87 HydrophobicContact CZ3-CB 3.9Å; W40-F87 HydrophobicContact CZ3-CG 4.47Å; W40-E88 HydrophobicContact CH2-CG 3.78Å; W40-E88 HydrophobicContact CZ2-CG 3.78Å; W40-F126 AromaticContact CD1-CE2 3.93Å
41	P	96.4	Very high	92.1	Very high	13 Å²	13	47.3 Å²	47.3	8%	0.084	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-64.7	137.3	-171.7	26	-35.2	0	0	0	112.6	G33 N34 I37 V38 V43 K63	G33-P41 WeakPolarHBondContact CA-O 3.38Å; N34-P41 HydrophobicContact CB-CG 4.38Å; N34-P41 PolarHBondContact N-O 3.14Å; I37-P41 HydrophobicContact CB-CG 3.94Å; I37-P41 HydrophobicContact CD1-CG 4.36Å; I37-P41 HydrophobicContact CG2-CG 3.75Å; V38-P41 WeakPolarHBondContact O-CD 3.37Å; P41-V43 PolarHBondContact O-N 3.18Å; P41-K63 CarbonylContact C-O 3.58Å; P41-K63 WeakPolarHBondContact CA-O 3.48Å
42	I	96.3	Very high	91.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	117.8	175.4	-64.9	165.8	0	0	0	109.5	V31 L32 Y44 V60 M61 Q62 K63 F69	V31-I42 HydrophobicContact CB-CD1 4.42Å; V31-I42 HydrophobicContact CB-CG1 4.42Å; V31-I42 HydrophobicContact CB-CG2 4.01Å; V31-I42 HydrophobicContact CG2-CD1 3.99Å; V31-I42 HydrophobicContact CG2-CG1 3.95Å; V31-I42 HydrophobicContact CG2-CG2 4.43Å; L32-I42 CarbonylContact O-C 3.59Å; L32-I42 WeakPolarHBondContact O-CA 3.41Å; I42-Y44 WeakPolarHBondContact CG2-O 3.46Å; I42-V60 HydrophobicContact CD1-CG1 3.87Å; I42-V60 HydrophobicContact CG2-CG1 4.17Å; I42-M61 WeakPolarHBondContact O-CA 3.28Å; I42-Q62 PolarHBondContact O-N 2.88Å; I42-K63 WeakPolarHBondContact CB-O 3.45Å; I42-K63 VanDerWaalsContact CG1-O 3.3Å; I42-K63 WeakPolarHBondContact CG1-O 3.27Å; I42-K63 PolarHBondContact N-O 3.38Å; I42-F69 HydrophobicContact CD1-CE1 4.32Å
43	V	94.2	Very high	91.7	Very high	58 Å²	58	48.4 Å²	48.4	35%	0.352	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-21.1	176.4	-63.4	0	0	0	0	112.8	L32 N34 P41 L125	L32-V43 HydrophobicContact CB-CG2 4.08Å; L32-V43 WeakPolarHBondContact O-CG2 3.38Å; L32-V43 PolarHBondContact O-N 3.22Å; N34-V43 HydrophobicContact CB-CG1 4.21Å; P41-V43 PolarHBondContact O-N 3.18Å; V43-L125 HydrophobicContact CG2-CD2 3.91Å
44	Y	92.7	Very high	91.5	Very high	68 Å²	68	50.5 Å²	50.5	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	147.3	178.6	177.5	-90.9	0	0	0	111.8	L18 F30 V31 L32 I42 N46	L18-Y44 HydrophobicContact CD2-CD1 4.11Å; L18-Y44 HydrophobicContact CD2-CE1 4.21Å; L18-Y44 HydrophobicContact CD2-CG 4.3Å; F30-Y44 AromaticContact CE2-CD1 3.86Å; F30-Y44 HydrophobicContact CE2-CD1 3.86Å; F30-Y44 AromaticContact CE2-CE1 3.65Å; F30-Y44 HydrophobicContact CE2-CE1 3.65Å; F30-Y44 AromaticContact CZ-CE1 3.84Å; F30-Y44 HydrophobicContact CZ-CE1 3.84Å; V31-Y44 CarbonylContact C-O 3.57Å; V31-Y44 VanDerWaalsContact CA-O 3.27Å; V31-Y44 WeakPolarHBondContact CA-O 3.45Å; V31-Y44 WeakPolarHBondContact CB-O 3.38Å; L32-Y44 HydrophobicContact CD1-CD1 4.06Å; L32-Y44 HydrophobicContact CD1-CG 4.4Å; L32-Y44 PolarHBondContact N-O 2.91Å; L32-Y44 PolarHBondContact O-N 3.33Å; I42-Y44 WeakPolarHBondContact CG2-O 3.46Å; Y44-N46 HydrophobicContact CE1-CB 4.13Å
45	S	92.1	Very high	91.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.5	166.6	62.7	0	0	0	0	109.9	R57	S45-R57 VanDerWaalsContact O-CZ 3.26Å; S45-R57 PolarHBondContact O-NE 3.42Å; S45-R57 PolarHBondContact O-NH2 2.94Å
46	N	90.2	Very high	91.5	Very high	18 Å²	18	57.2 Å²	57.2	10%	0.096	30%	0.3	C	S	.	.			trans	-81.3	162.3	174	84.4	-18.5	0	0	0	111.9	T28 N29 F30 Y44 G48 F49 C50 R57	T28-N46 PolarHBondContact O-ND2 2.67Å; N29-N46 WeakPolarHBondContact CA-OD1 3.46Å; F30-N46 HydrophobicContact CD1-CB 3.96Å; F30-N46 VanDerWaalsContact CD1-ND2 3.34Å; F30-N46 WeakPolarHBondContact CD1-ND2 3.34Å; F30-N46 HydrophobicContact CE1-CB 3.72Å; F30-N46 HydrophobicContact CG-CB 4.46Å; F30-N46 HydrophobicContact CZ-CB 4.02Å; F30-N46 PolarHBondContact N-OD1 2.75Å; F30-N46 PolarHBondContact O-N 3.45Å; F30-N46 PolarHBondContact O-OD1 3.19Å; Y44-N46 HydrophobicContact CE1-CB 4.13Å; N46-G48 PolarHBondContact O-N 3.21Å; N46-G48 PolarHBondContact OD1-N 2.83Å; N46-F49 PolarHBondContact O-N 3.4Å; N46-F49 VanDerWaalsContact O-N 3.14Å; N46-F49 PolarHBondContact OD1-N 2.94Å; N46-C50 PolarHBondContact O-N 2.88Å; N46-R57 VanDerWaalsContact C-NH2 3.27Å
47	D	88.4	Confident	91.6	Very high	91 Å²	91	55.1 Å²	55.1	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-24.3	-178.3	-78	-18.8	0	0	0	112.9	C50 K51 R57	D47-C50 PolarHBondContact O-N 2.9Å; D47-K51 VanDerWaalsContact O-CG 3.27Å; D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 3.21Å; D47-R57 IonicContact OD1-CZ 2.68Å; D47-R57 IonicContact OD1-NH1 3.2Å; D47-R57 PolarHBondContact OD1-NH1 3.12Å; D47-R57 IonicContact OD1-NH2 3.32Å; D47-R57 PolarHBondContact OD1-NH2 3.08Å
48	G	87.5	Confident	91.5	Very high	19 Å²	19	55.1 Å²	55.1	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-52.9	168.4	0	0	0	0	0	111.4	N29 N46 C50 K51 L52	N29-G48 WeakPolarHBondContact OD1-CA 3.21Å; N29-G48 PolarHBondContact OD1-O 3.32Å; N46-G48 PolarHBondContact O-N 3.21Å; N46-G48 PolarHBondContact OD1-N 2.83Å; G48-C50 VanDerWaalsContact C-N 3.32Å; G48-C50 PolarHBondContact O-N 2.74Å; G48-K51 PolarHBondContact O-N 3Å; G48-K51 VanDerWaalsContact O-N 3.16Å; G48-L52 VanDerWaalsContact O-CB 3.25Å; G48-L52 WeakPolarHBondContact O-CB 3.5Å; G48-L52 PolarHBondContact O-N 3.37Å
49	F	90.4	Very high	91.7	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-38.5	177.9	-174.4	-89.4	0	0	0	113	N29 V31 N46 L52 S53 V60 M70 F130	N29-F49 HydrophobicContact CB-CB 4.34Å; V31-F49 HydrophobicContact CG1-CB 4.31Å; V31-F49 HydrophobicContact CG1-CD1 3.61Å; V31-F49 HydrophobicContact CG1-CD2 3.73Å; V31-F49 HydrophobicContact CG1-CE1 3.79Å; V31-F49 HydrophobicContact CG1-CE2 3.89Å; V31-F49 HydrophobicContact CG1-CG 3.58Å; V31-F49 HydrophobicContact CG1-CZ 3.92Å; N46-F49 PolarHBondContact O-N 3.4Å; N46-F49 VanDerWaalsContact O-N 3.14Å; N46-F49 PolarHBondContact OD1-N 2.94Å; F49-L52 PolarHBondContact O-N 3.27Å; F49-S53 VanDerWaalsContact O-CB 3.3Å; F49-S53 WeakPolarHBondContact O-CB 3.49Å; F49-S53 PolarHBondContact O-N 3.38Å; F49-S53 PolarHBondContact O-OG 2.91Å; F49-V60 HydrophobicContact CD1-CG1 4.2Å; F49-V60 HydrophobicContact CE1-CG1 3.72Å; F49-V60 HydrophobicContact CE1-CG2 4.07Å; F49-M70 HydrophobicContact CZ-SD 4.01Å; F49-F130 HydrophobicContact CD2-CB 4.48Å; F49-F130 AromaticContact CD2-CD2 3.54Å; F49-F130 HydrophobicContact CD2-CD2 3.54Å; F49-F130 AromaticContact CD2-CE2 3.84Å; F49-F130 HydrophobicContact CD2-CE2 3.84Å; F49-F130 AromaticContact CD2-CG 3.97Å; F49-F130 HydrophobicContact CD2-CG 3.97Å; F49-F130 HydrophobicContact CE2-CD1 4.02Å; F49-F130 AromaticContact CE2-CD2 3.61Å; F49-F130 HydrophobicContact CE2-CD2 3.61Å; F49-F130 HydrophobicContact CE2-CE1 4.01Å; F49-F130 AromaticContact CE2-CE2 3.6Å; F49-F130 HydrophobicContact CE2-CE2 3.6Å; F49-F130 AromaticContact CE2-CG 3.84Å; F49-F130 HydrophobicContact CE2-CG 3.84Å; F49-F130 AromaticContact CE2-CZ 3.81Å; F49-F130 HydrophobicContact CE2-CZ 3.81Å
50	C	91.2	Very high	91.9	Very high	18 Å²	18	47.1 Å²	47.1	12%	0.122	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-46.4	174.7	-62.4	0	0	0	0	111.6	N46 D47 G48 G54 Y55	N46-C50 PolarHBondContact O-N 2.88Å; D47-C50 PolarHBondContact O-N 2.9Å; G48-C50 VanDerWaalsContact C-N 3.32Å; G48-C50 PolarHBondContact O-N 2.74Å; C50-G54 PolarHBondContact O-N 3.13Å; C50-Y55 WeakPolarHBondContact CA-O 3.3Å; C50-Y55 WeakPolarHBondContact CB-O 3.27Å
51	K	89.8	Confident	91.8	Very high	178 Å²	178	48.7 Å²	48.7	77%	0.774	26%	0.261	S	S	*	.	H	α-helix	trans	-64.5	-38.1	175.4	-69.3	166	-175.9	173.9	0	112.3	D47 G48	D47-K51 VanDerWaalsContact O-CG 3.27Å; D47-K51 WeakPolarHBondContact O-CG 3.25Å; D47-K51 PolarHBondContact O-N 3.21Å; G48-K51 PolarHBondContact O-N 3Å; G48-K51 VanDerWaalsContact O-N 3.16Å
52	L	88.5	Confident	91.6	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.141	29%	0.289	C	S	.	.	H	α-helix	trans	-72.6	-44	-177.9	177.4	63.7	0	0	0	112.6	N29 G48 F49 K101 F109 F130 D132	N29-L52 HydrophobicContact CB-CD2 3.78Å; G48-L52 VanDerWaalsContact O-CB 3.25Å; G48-L52 WeakPolarHBondContact O-CB 3.5Å; G48-L52 PolarHBondContact O-N 3.37Å; F49-L52 PolarHBondContact O-N 3.27Å; L52-K101 WeakPolarHBondContact O-CE 3.41Å; L52-F109 HydrophobicContact CD1-CE1 4.02Å; L52-F109 HydrophobicContact CD2-CD1 4.28Å; L52-F109 HydrophobicContact CD2-CE1 3.81Å; L52-F109 HydrophobicContact CG-CE1 3.81Å; L52-F130 HydrophobicContact CD2-CB 4Å; L52-D132 HydrophobicContact CD1-CB 4.19Å
53	S	90.3	Very high	91.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-82.8	-25.2	-178.1	64.6	0	0	0	0	113.1	F49 Y55 K102	F49-S53 VanDerWaalsContact O-CB 3.3Å; F49-S53 WeakPolarHBondContact O-CB 3.49Å; F49-S53 PolarHBondContact O-N 3.38Å; F49-S53 PolarHBondContact O-OG 2.91Å; S53-Y55 VanDerWaalsContact C-N 3.29Å; S53-Y55 WeakPolarHBondContact O-CD2 3.44Å; S53-Y55 PolarHBondContact OG-N 3.21Å; S53-K102 PolarHBondContact O-N 2.91Å
54	G	89.2	Confident	91.5	Very high	43 Å²	43	57.4 Å²	57.4	44%	0.443	30%	0.297	S	S	.	.			trans	81	3.5	-172.9	0	0	0	0	0	114.2	C50 K102	C50-G54 PolarHBondContact O-N 3.13Å; G54-K102 WeakPolarHBondContact O-CD 3.43Å
55	Y	93.4	Very high	91.6	Very high	39 Å²	39	54.3 Å²	54.3	15%	0.153	29%	0.286	C	S	.	.			trans	-94.8	149.6	176.2	-68.2	-94.8	0	0	0	111.6	C50 S53 E59 V60 F69 M70 K102	C50-Y55 WeakPolarHBondContact CA-O 3.3Å; C50-Y55 WeakPolarHBondContact CB-O 3.27Å; S53-Y55 VanDerWaalsContact C-N 3.29Å; S53-Y55 WeakPolarHBondContact O-CD2 3.44Å; S53-Y55 PolarHBondContact OG-N 3.21Å; Y55-E59 WeakPolarHBondContact CA-OE2 3.45Å; Y55-E59 HydrophobicContact CD1-CB 4.19Å; Y55-V60 HydrophobicContact CG-CG2 4.42Å; Y55-F69 HydrophobicContact CD1-CE2 4.47Å; Y55-F69 AromaticContact CD2-CE2 3.92Å; Y55-F69 HydrophobicContact CD2-CE2 3.92Å; Y55-F69 HydrophobicContact CE1-CD2 4.21Å; Y55-F69 HydrophobicContact CE1-CE2 4.45Å; Y55-F69 HydrophobicContact CE2-CD2 4.09Å; Y55-F69 AromaticContact CE2-CE2 3.9Å; Y55-F69 HydrophobicContact CE2-CE2 3.9Å; Y55-F69 HydrophobicContact CG-CE2 4.22Å; Y55-F69 AromaticContact CZ-CD2 3.93Å; Y55-M70 HydrophobicContact CE2-CG 4.47Å; Y55-K102 HydrophobicContact CD1-CB 4.29Å; Y55-K102 HydrophobicContact CD1-CD 3.84Å; Y55-K102 HydrophobicContact CD1-CG 4.03Å; Y55-K102 HydrophobicContact CD2-CB 3.8Å; Y55-K102 HydrophobicContact CD2-CG 4.44Å; Y55-K102 HydrophobicContact CE1-CB 4.11Å; Y55-K102 HydrophobicContact CE1-CD 4.11Å; Y55-K102 HydrophobicContact CE1-CG 3.79Å; Y55-K102 HydrophobicContact CE2-CB 3.59Å; Y55-K102 HydrophobicContact CE2-CG 4.23Å; Y55-K102 HydrophobicContact CG-CB 4.15Å; Y55-K102 HydrophobicContact CG-CD 4.13Å; Y55-K102 HydrophobicContact CG-CG 4.35Å
56	H	93.1	Very high	91.6	Very high	137 Å²	137	55.3 Å²	55.3	63%	0.634	29%	0.292	S	S	*	.			trans	-78.7	150	169	-67.6	-44.8	0	0	0	110.7	A58 E59 V60	H56-A58 PolarHBondContact O-N 3.05Å; H56-A58 VanDerWaalsContact O-N 3.11Å; H56-E59 HydrophobicContact CB-CG 4.27Å; H56-E59 PolarHBondContact N-OE2 3Å; H56-E59 WeakPolarHBondContact O-CA 3.4Å; H56-E59 WeakPolarHBondContact O-CB 3.19Å; H56-E59 PolarHBondContact O-N 3.36Å; H56-V60 PolarHBondContact O-N 2.86Å
57	R	92.8	Very high	91.7	Very high	80 Å²	80	54.5 Å²	54.5	30%	0.302	29%	0.287	S	S	.	.	H	α-helix	trans	-48.8	-41.6	-179.5	-180	169.5	-71.8	104.7	7.8	113.7	S45 N46 D47 E59 V60 M61	S45-R57 VanDerWaalsContact O-CZ 3.26Å; S45-R57 PolarHBondContact O-NE 3.42Å; S45-R57 PolarHBondContact O-NH2 2.94Å; N46-R57 VanDerWaalsContact C-NH2 3.27Å; D47-R57 IonicContact OD1-CZ 2.68Å; D47-R57 IonicContact OD1-NH1 3.2Å; D47-R57 PolarHBondContact OD1-NH1 3.12Å; D47-R57 IonicContact OD1-NH2 3.32Å; D47-R57 PolarHBondContact OD1-NH2 3.08Å; R57-E59 VanDerWaalsContact C-N 3.26Å; R57-E59 PolarHBondContact O-N 2.76Å; R57-V60 PolarHBondContact O-N 3.25Å; R57-M61 HydrophobicContact CG-CG 4.25Å; R57-M61 HydrophobicContact CG-SD 3.76Å; R57-M61 WeakPolarHBondContact O-CG 3.42Å; R57-M61 PolarHBondContact O-N 3.08Å
58	A	91.9	Very high	91.8	Very high	90 Å²	90	53.1 Å²	53.1	74%	0.744	29%	0.285	S	S	*	.	H	α-helix	trans	-67.8	-19.2	178	0	0	0	0	0	114.7	H56	H56-A58 PolarHBondContact O-N 3.05Å; H56-A58 VanDerWaalsContact O-N 3.11Å
59	E	93.3	Very high	92.1	Very high	72 Å²	72	54.2 Å²	54.2	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-88.3	-24.3	175.3	-54.7	174.9	131.4	0	0	112.1	Y55 H56 R57 K63 K102	Y55-E59 WeakPolarHBondContact CA-OE2 3.45Å; Y55-E59 HydrophobicContact CD1-CB 4.19Å; H56-E59 HydrophobicContact CB-CG 4.27Å; H56-E59 PolarHBondContact N-OE2 3Å; H56-E59 WeakPolarHBondContact O-CA 3.4Å; H56-E59 WeakPolarHBondContact O-CB 3.19Å; H56-E59 PolarHBondContact O-N 3.36Å; R57-E59 VanDerWaalsContact C-N 3.26Å; R57-E59 PolarHBondContact O-N 2.76Å; E59-K63 WeakPolarHBondContact O-CE 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.36Å; E59-K102 IonicContact OE1-NZ 2.65Å; E59-K102 PolarHBondContact OE1-NZ 3.23Å; E59-K102 IonicContact OE2-NZ 2.76Å; E59-K102 PolarHBondContact OE2-NZ 2.99Å
60	V	94.3	Very high	92.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-88.7	-38	-178.9	177.4	0	0	0	0	111.7	I42 F49 Y55 H56 R57 K63 F69	I42-V60 HydrophobicContact CD1-CG1 3.87Å; I42-V60 HydrophobicContact CG2-CG1 4.17Å; F49-V60 HydrophobicContact CD1-CG1 4.2Å; F49-V60 HydrophobicContact CE1-CG1 3.72Å; F49-V60 HydrophobicContact CE1-CG2 4.07Å; Y55-V60 HydrophobicContact CG-CG2 4.42Å; H56-V60 PolarHBondContact O-N 2.86Å; R57-V60 PolarHBondContact O-N 3.25Å; V60-K63 WeakPolarHBondContact O-CB 3.45Å; V60-K63 WeakPolarHBondContact O-CG 3.49Å; V60-K63 PolarHBondContact O-N 2.63Å; V60-F69 HydrophobicContact CG1-CZ 4.26Å; V60-F69 HydrophobicContact CG2-CZ 4.33Å
61	M	92.2	Very high	92.3	Very high	71 Å²	71	55.4 Å²	55.4	35%	0.35	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	147.3	175.1	-72.1	172.8	70.5	0	0	111.1	I42 R57 K63	I42-M61 WeakPolarHBondContact O-CA 3.28Å; R57-M61 HydrophobicContact CG-CG 4.25Å; R57-M61 HydrophobicContact CG-SD 3.76Å; R57-M61 WeakPolarHBondContact O-CG 3.42Å; R57-M61 PolarHBondContact O-N 3.08Å; M61-K63 PolarHBondContact O-N 2.77Å; M61-K63 VanDerWaalsContact O-N 3.16Å
62	Q	91.6	Very high	92.3	Very high	142 Å²	142	48.4 Å²	48.4	66%	0.664	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	9.3	-173.8	-49.4	-61.9	-21.9	0	0	115.3	I42	I42-Q62 PolarHBondContact O-N 2.88Å
63	K	94.6	Very high	92.3	Very high	96 Å²	96	56.3 Å²	56.3	42%	0.417	30%	0.301	S	S	.	.	S	Bend	trans	-88.8	157.6	162.6	-54.6	-56	-179.1	-171.9	0	110.2	P41 I42 E59 V60 M61 F69	P41-K63 CarbonylContact C-O 3.58Å; P41-K63 WeakPolarHBondContact CA-O 3.48Å; I42-K63 WeakPolarHBondContact CB-O 3.45Å; I42-K63 VanDerWaalsContact CG1-O 3.3Å; I42-K63 WeakPolarHBondContact CG1-O 3.27Å; I42-K63 PolarHBondContact N-O 3.38Å; E59-K63 WeakPolarHBondContact O-CE 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.36Å; V60-K63 WeakPolarHBondContact O-CB 3.45Å; V60-K63 WeakPolarHBondContact O-CG 3.49Å; V60-K63 PolarHBondContact O-N 2.63Å; M61-K63 PolarHBondContact O-N 2.77Å; M61-K63 VanDerWaalsContact O-N 3.16Å; K63-F69 HydrophobicContact CB-CD1 3.53Å; K63-F69 HydrophobicContact CB-CE1 3.72Å; K63-F69 HydrophobicContact CB-CG 4.4Å; K63-F69 HydrophobicContact CG-CD1 3.84Å; K63-F69 HydrophobicContact CG-CE1 4.16Å; K63-F69 HydrophobicContact CG-CG 4.25Å
64	S	94.8	Very high	92.2	Very high	16 Å²	16	61 Å²	61	11%	0.112	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-62.4	139	176.1	-176.9	0	0	0	0	112	D39 T66 C67	D39-S64 VanDerWaalsContact O-CA 3.29Å; D39-S64 WeakPolarHBondContact O-CA 3.1Å; D39-S64 WeakPolarHBondContact O-CB 3.26Å; D39-S64 PolarHBondContact O-OG 2.78Å; S64-T66 WeakPolarHBondContact CB-OG1 3.09Å; S64-T66 PolarHBondContact O-N 2.95Å; S64-T66 PolarHBondContact OG-N 2.9Å; S64-T66 PolarHBondContact OG-OG1 3.03Å; S64-C67 PolarHBondContact O-N 3.2Å
65	S	93.6	Very high	92.2	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.021	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.6	174.6	58.4	0	0	0	0	114.2	W40 C67 F87	W40-S65 VanDerWaalsContact CB-OG 3.26Å; W40-S65 WeakPolarHBondContact CB-OG 3.29Å; W40-S65 WeakPolarHBondContact O-CB 3.32Å; W40-S65 PolarHBondContact O-N 2.83Å; W40-S65 PolarHBondContact O-OG 3.35Å; W40-S65 VanDerWaalsContact O-OG 3.08Å; S65-C67 PolarHBondContact O-N 3.35Å; S65-F87 WeakPolarHBondContact OG-CE1 3.19Å; S65-F87 WeakPolarHBondContact OG-CZ 3.25Å
66	T	92.3	Very high	92.1	Very high	21 Å²	21	61.1 Å²	61.1	13%	0.129	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.6	165.3	61.8	0	0	0	0	113	W40 S64 Y71 V83 F87	W40-T66 HydrophobicContact CE3-CG2 4.06Å; W40-T66 HydrophobicContact CZ3-CG2 4.21Å; S64-T66 WeakPolarHBondContact CB-OG1 3.09Å; S64-T66 PolarHBondContact O-N 2.95Å; S64-T66 PolarHBondContact OG-N 2.9Å; S64-T66 PolarHBondContact OG-OG1 3.03Å; T66-Y71 WeakPolarHBondContact CB-OH 3.42Å; T66-Y71 WeakPolarHBondContact O-CE1 3.41Å; T66-Y71 PolarHBondContact O-OH 2.92Å; T66-V83 HydrophobicContact CG2-CG1 4.4Å; T66-F87 HydrophobicContact CG2-CD2 3.78Å; T66-F87 HydrophobicContact CG2-CE2 3.75Å
67	C	93.1	Very high	92.1	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.007	32%	0.323	C	S	.	.			trans	62.3	34.2	-174.2	-66.6	0	0	0	0	114.6	S64 S65 F69 M70 M99 F130	S64-C67 PolarHBondContact O-N 3.2Å; S65-C67 PolarHBondContact O-N 3.35Å; C67-F69 HydrophobicContact CB-CE1 4.34Å; C67-F69 PolarHBondContact O-N 2.79Å; C67-M70 HydrophobicContact CB-CB 4.48Å; C67-M70 HydrophobicContact CB-CG 4.4Å; C67-M70 HydrophobicContact CB-SD 4.18Å; C67-M70 WeakPolarHBondContact O-CA 3.1Å; C67-M70 WeakPolarHBondContact O-CB 3.13Å; C67-M70 PolarHBondContact O-N 3.5Å; C67-M99 HydrophobicContact CB-CE 4.47Å; C67-M99 HydrophobicContact CB-SD 3.95Å; C67-F130 VanDerWaalsContact SG-CZ 3.59Å
68	S	90.5	Very high	92.1	Very high	61 Å²	61	63.8 Å²	63.8	43%	0.427	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-51.6	-29.3	179	60.3	0	0	0	0	115.7	M70 Y71	S68-M70 PolarHBondContact O-N 3.34Å; S68-Y71 PolarHBondContact O-N 3.49Å
69	F	93	Very high	92	Very high	42 Å²	42	60.7 Å²	60.7	18%	0.184	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-69.1	-11.7	174.4	68.8	-83.7	0	0	0	114.5	I42 Y55 V60 K63 C67	I42-F69 HydrophobicContact CD1-CE1 4.32Å; Y55-F69 HydrophobicContact CD1-CE2 4.47Å; Y55-F69 AromaticContact CD2-CE2 3.92Å; Y55-F69 HydrophobicContact CD2-CE2 3.92Å; Y55-F69 HydrophobicContact CE1-CD2 4.21Å; Y55-F69 HydrophobicContact CE1-CE2 4.45Å; Y55-F69 HydrophobicContact CE2-CD2 4.09Å; Y55-F69 AromaticContact CE2-CE2 3.9Å; Y55-F69 HydrophobicContact CE2-CE2 3.9Å; Y55-F69 HydrophobicContact CG-CE2 4.22Å; Y55-F69 AromaticContact CZ-CD2 3.93Å; V60-F69 HydrophobicContact CG1-CZ 4.26Å; V60-F69 HydrophobicContact CG2-CZ 4.33Å; K63-F69 HydrophobicContact CB-CD1 3.53Å; K63-F69 HydrophobicContact CB-CE1 3.72Å; K63-F69 HydrophobicContact CB-CG 4.4Å; K63-F69 HydrophobicContact CG-CD1 3.84Å; K63-F69 HydrophobicContact CG-CE1 4.16Å; K63-F69 HydrophobicContact CG-CG 4.25Å; C67-F69 HydrophobicContact CB-CE1 4.34Å; C67-F69 PolarHBondContact O-N 2.79Å
70	M	93.5	Very high	91.9	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-102.8	0.1	175.4	-57.3	-178.5	58.5	0	0	112.5	F49 Y55 C67 S68 M99 Y100 F109	F49-M70 HydrophobicContact CZ-SD 4.01Å; Y55-M70 HydrophobicContact CE2-CG 4.47Å; C67-M70 HydrophobicContact CB-CB 4.48Å; C67-M70 HydrophobicContact CB-CG 4.4Å; C67-M70 HydrophobicContact CB-SD 4.18Å; C67-M70 WeakPolarHBondContact O-CA 3.1Å; C67-M70 WeakPolarHBondContact O-CB 3.13Å; C67-M70 PolarHBondContact O-N 3.5Å; S68-M70 PolarHBondContact O-N 3.34Å; M70-M99 HydrophobicContact CB-CB 3.96Å; M70-M99 HydrophobicContact CB-SD 4.31Å; M70-M99 HydrophobicContact CE-CB 4.39Å; M70-M99 CarbonylContact O-C 3.58Å; M70-M99 WeakPolarHBondContact O-CA 3.3Å; M70-M99 WeakPolarHBondContact O-CB 3.5Å; M70-Y100 WeakPolarHBondContact CB-O 3.5Å; M70-Y100 PolarHBondContact O-N 3.36Å; M70-F109 HydrophobicContact CE-CE2 3.78Å; M70-F109 HydrophobicContact CE-CZ 3.8Å
71	Y	93.4	Very high	91.9	Very high	44 Å²	44	62.5 Å²	62.5	17%	0.173	32%	0.317	C	S	.	.			trans	-74.1	157.1	176	-60	-11.5	0	0	0	111.5	T66 S68 T75 I80 I97 M99	T66-Y71 WeakPolarHBondContact CB-OH 3.42Å; T66-Y71 WeakPolarHBondContact O-CE1 3.41Å; T66-Y71 PolarHBondContact O-OH 2.92Å; S68-Y71 PolarHBondContact O-N 3.49Å; Y71-T75 HydrophobicContact CD1-CG2 4.06Å; Y71-T75 HydrophobicContact CG-CG2 4.27Å; Y71-I80 HydrophobicContact CD2-CD1 3.51Å; Y71-I80 HydrophobicContact CD2-CG1 4.01Å; Y71-I80 HydrophobicContact CD2-CG2 4.46Å; Y71-I80 HydrophobicContact CE1-CG1 4.27Å; Y71-I80 HydrophobicContact CE2-CB 4.27Å; Y71-I80 HydrophobicContact CE2-CD1 3.65Å; Y71-I80 HydrophobicContact CE2-CG1 3.63Å; Y71-I80 HydrophobicContact CE2-CG2 3.61Å; Y71-I80 HydrophobicContact CG-CD1 3.98Å; Y71-I80 HydrophobicContact CG-CG1 4.47Å; Y71-I97 HydrophobicContact CE1-CD1 4.22Å; Y71-M99 HydrophobicContact CD1-CG 4.29Å; Y71-M99 HydrophobicContact CD1-SD 4.21Å; Y71-M99 HydrophobicContact CE1-SD 3.98Å
72	G	89.8	Confident	91.9	Very high	30 Å²	30	63.9 Å²	63.9	31%	0.309	32%	0.321	S	S	.	.			trans	-162.4	-167	173.3	0	0	0	0	0	111.9	L74 T75	G72-L74 VanDerWaalsContact C-N 3.29Å; G72-L74 PolarHBondContact O-N 3.27Å; G72-T75 PolarHBondContact N-OG1 3.05Å; G72-T75 VanDerWaalsContact N-OG1 3.13Å; G72-T75 WeakPolarHBondContact O-CB 3.22Å; G72-T75 PolarHBondContact O-N 3.03Å; G72-T75 PolarHBondContact O-OG1 2.96Å
73	E	88	Confident	92	Very high	194 Å²	194	57.5 Å²	57.5	91%	0.907	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.8	-168	-67.3	165.8	-159.4	0	0	114.2
74	L	87.4	Confident	91.9	Very high	98 Å²	98	56.9 Å²	56.9	51%	0.513	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.9	176	-57.9	175.8	0	0	0	113.8	G72 L98 Y100	G72-L74 VanDerWaalsContact C-N 3.29Å; G72-L74 PolarHBondContact O-N 3.27Å; L74-L98 HydrophobicContact CB-CD1 4.09Å; L74-L98 HydrophobicContact CB-CD2 3.9Å; L74-Y100 WeakPolarHBondContact CB-OH 3.34Å; L74-Y100 WeakPolarHBondContact CG-OH 3.38Å; L74-Y100 PolarHBondContact N-OH 2.82Å; L74-Y100 VanDerWaalsContact N-OH 3.09Å
75	T	90.6	Very high	91.8	Very high	10 Å²	10	60.2 Å²	60.2	6%	0.061	30%	0.3	C	S	.	.	S	Bend	trans	-83.5	119.9	175.1	-55.9	0	0	0	0	109.9	Y71 G72 K77 I80 I97 L98	Y71-T75 HydrophobicContact CD1-CG2 4.06Å; Y71-T75 HydrophobicContact CG-CG2 4.27Å; G72-T75 PolarHBondContact N-OG1 3.05Å; G72-T75 VanDerWaalsContact N-OG1 3.13Å; G72-T75 WeakPolarHBondContact O-CB 3.22Å; G72-T75 PolarHBondContact O-N 3.03Å; G72-T75 PolarHBondContact O-OG1 2.96Å; T75-K77 PolarHBondContact O-N 3.26Å; T75-I80 HydrophobicContact CG2-CD1 3.66Å; T75-I80 HydrophobicContact CG2-CG1 3.89Å; T75-I97 HydrophobicContact CG2-CD1 3.88Å; T75-I97 HydrophobicContact CG2-CG1 3.94Å; T75-L98 WeakPolarHBondContact CB-O 3.43Å; T75-L98 VanDerWaalsContact CG2-O 3.3Å; T75-L98 WeakPolarHBondContact CG2-O 3.44Å; T75-L98 PolarHBondContact OG1-O 2.97Å
76	D	91.5	Very high	91.8	Very high	75 Å²	75	60.2 Å²	60.2	40%	0.401	30%	0.3	S	S	.	.			trans	-62.8	129.9	178.5	171	42.4	0	0	0	112.7	D78 T79 I80	D76-D78 PolarHBondContact OD1-N 2.88Å; D76-D78 VanDerWaalsContact OD1-N 3.14Å; D76-T79 WeakPolarHBondContact OD2-CB 3.38Å; D76-T79 PolarHBondContact OD2-N 3.46Å; D76-T79 PolarHBondContact OD2-OG1 3.35Å; D76-I80 WeakPolarHBondContact O-CG1 3.4Å; D76-I80 PolarHBondContact O-N 2.88Å
77	K	91.6	Very high	91.9	Very high	168 Å²	168	59.3 Å²	59.3	73%	0.73	30%	0.295	S	S	*	.	H	α-helix	trans	-74.7	-34.9	-178.4	-65.4	-177.5	-179.2	178.1	0	112.5	T75 T79 I80 E81	T75-K77 PolarHBondContact O-N 3.26Å; K77-T79 VanDerWaalsContact C-N 3.27Å; K77-T79 PolarHBondContact O-N 3.47Å; K77-I80 PolarHBondContact O-N 2.86Å; K77-E81 PolarHBondContact O-N 2.76Å
78	D	92.4	Very high	91.9	Very high	105 Å²	105	63.4 Å²	63.4	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-34.2	179.2	-72.7	9.5	0	0	0	110.8	D76 K82	D76-D78 PolarHBondContact OD1-N 2.88Å; D76-D78 VanDerWaalsContact OD1-N 3.14Å; D78-K82 VanDerWaalsContact O-CD 3.26Å; D78-K82 WeakPolarHBondContact O-CD 3.42Å; D78-K82 WeakPolarHBondContact O-CE 3.47Å; D78-K82 WeakPolarHBondContact O-CG 3.39Å; D78-K82 PolarHBondContact O-N 3.43Å
79	T	89.8	Confident	92	Very high	24 Å²	24	65.2 Å²	65.2	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-72.9	-38.2	174	-59.2	0	0	0	0	112.1	D76 K77 E81 K82 V83 F95 I97	D76-T79 WeakPolarHBondContact OD2-CB 3.38Å; D76-T79 PolarHBondContact OD2-N 3.46Å; D76-T79 PolarHBondContact OD2-OG1 3.35Å; K77-T79 VanDerWaalsContact C-N 3.27Å; K77-T79 PolarHBondContact O-N 3.47Å; T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 PolarHBondContact O-N 3Å; T79-K82 PolarHBondContact O-N 3.44Å; T79-V83 WeakPolarHBondContact O-CB 3.47Å; T79-V83 VanDerWaalsContact O-CG2 3.31Å; T79-V83 WeakPolarHBondContact O-CG2 3.48Å; T79-V83 PolarHBondContact O-N 3.18Å; T79-F95 HydrophobicContact CG2-CB 4.45Å; T79-F95 HydrophobicContact CG2-CD1 4.47Å; T79-I97 HydrophobicContact CG2-CB 3.98Å; T79-I97 HydrophobicContact CG2-CD1 4.17Å; T79-I97 HydrophobicContact CG2-CG1 4.11Å
80	I	92.4	Very high	91.9	Very high	42 Å²	42	68.1 Å²	68.1	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-57.5	-45.4	170.1	-68.2	165.7	0	0	0	110.4	Y71 T75 D76 K77 V83 R84 I97	Y71-I80 HydrophobicContact CD2-CD1 3.51Å; Y71-I80 HydrophobicContact CD2-CG1 4.01Å; Y71-I80 HydrophobicContact CD2-CG2 4.46Å; Y71-I80 HydrophobicContact CE1-CG1 4.27Å; Y71-I80 HydrophobicContact CE2-CB 4.27Å; Y71-I80 HydrophobicContact CE2-CD1 3.65Å; Y71-I80 HydrophobicContact CE2-CG1 3.63Å; Y71-I80 HydrophobicContact CE2-CG2 3.61Å; Y71-I80 HydrophobicContact CG-CD1 3.98Å; Y71-I80 HydrophobicContact CG-CG1 4.47Å; T75-I80 HydrophobicContact CG2-CD1 3.66Å; T75-I80 HydrophobicContact CG2-CG1 3.89Å; D76-I80 WeakPolarHBondContact O-CG1 3.4Å; D76-I80 PolarHBondContact O-N 2.88Å; K77-I80 PolarHBondContact O-N 2.86Å; I80-V83 WeakPolarHBondContact O-CB 3.31Å; I80-V83 PolarHBondContact O-N 2.8Å; I80-R84 PolarHBondContact O-N 3.4Å; I80-I97 HydrophobicContact CG1-CD1 4.19Å
81	E	93.2	Very high	91.7	Very high	68 Å²	68	72.1 Å²	72.1	32%	0.318	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-41	-178.4	179.2	52.9	-153.2	0	0	112.4	K77 T79 V83 R84 Q85	K77-E81 PolarHBondContact O-N 2.76Å; T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 PolarHBondContact O-N 3Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 3.1Å; E81-R84 WeakPolarHBondContact O-CB 3.14Å; E81-R84 PolarHBondContact O-N 2.87Å; E81-R84 IonicContact OE1-CZ 2.74Å; E81-R84 IonicContact OE1-NE 2.73Å; E81-R84 PolarHBondContact OE1-NE 2.62Å; E81-R84 IonicContact OE1-NH2 2.66Å; E81-R84 PolarHBondContact OE1-NH2 2.98Å; E81-R84 IonicContact OE2-CZ 3.49Å; E81-R84 IonicContact OE2-NE 3.39Å; E81-R84 PolarHBondContact OE2-NE 2.93Å; E81-R84 IonicContact OE2-NH2 2.75Å; E81-Q85 WeakPolarHBondContact O-CG 3.36Å; E81-Q85 PolarHBondContact O-N 3.09Å; E81-Q85 PolarHBondContact OE1-NE2 2.73Å
82	K	93.1	Very high	91.4	Very high	100 Å²	100	73.9 Å²	73.9	44%	0.435	36%	0.359	S	S	.	.	H	α-helix	trans	-65.8	-34.9	174.1	-67.7	157.9	-166	159.5	0	112.9	D78 T79 T86 F95	D78-K82 VanDerWaalsContact O-CD 3.26Å; D78-K82 WeakPolarHBondContact O-CD 3.42Å; D78-K82 WeakPolarHBondContact O-CE 3.47Å; D78-K82 WeakPolarHBondContact O-CG 3.39Å; D78-K82 PolarHBondContact O-N 3.43Å; T79-K82 PolarHBondContact O-N 3.44Å; K82-T86 PolarHBondContact O-N 3.03Å; K82-T86 VanDerWaalsContact O-N 3.11Å; K82-T86 PolarHBondContact O-OG1 3.29Å; K82-F95 HydrophobicContact CB-CE1 3.72Å; K82-F95 HydrophobicContact CB-CZ 4.2Å
83	V	92.8	Very high	91.4	Very high	8 Å²	8	75 Å²	75	5%	0.048	36%	0.358	C	S	.	.	H	α-helix	trans	-62.8	-47.7	170.7	164.5	0	0	0	0	110	T66 T79 I80 E81 Q85 T86 F87 F95 I113	T66-V83 HydrophobicContact CG2-CG1 4.4Å; T79-V83 WeakPolarHBondContact O-CB 3.47Å; T79-V83 VanDerWaalsContact O-CG2 3.31Å; T79-V83 WeakPolarHBondContact O-CG2 3.48Å; T79-V83 PolarHBondContact O-N 3.18Å; I80-V83 WeakPolarHBondContact O-CB 3.31Å; I80-V83 PolarHBondContact O-N 2.8Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-V83 PolarHBondContact O-N 3.1Å; V83-Q85 PolarHBondContact O-N 3.39Å; V83-T86 WeakPolarHBondContact O-CB 3.38Å; V83-T86 PolarHBondContact O-N 2.83Å; V83-F87 HydrophobicContact CG1-CD2 4.04Å; V83-F87 HydrophobicContact CG1-CE2 3.78Å; V83-F87 VanDerWaalsContact O-CD2 3.28Å; V83-F87 WeakPolarHBondContact O-CD2 3.38Å; V83-F87 PolarHBondContact O-N 3.4Å; V83-F95 HydrophobicContact CG2-CB 4.14Å; V83-F95 HydrophobicContact CG2-CD1 4.24Å; V83-F95 HydrophobicContact CG2-CD2 3.54Å; V83-F95 HydrophobicContact CG2-CE2 3.97Å; V83-F95 HydrophobicContact CG2-CG 3.69Å; V83-F95 HydrophobicContact CG2-CZ 4.49Å; V83-I113 HydrophobicContact CG1-CD1 4.06Å
84	R	93.5	Very high	91.5	Very high	84 Å²	84	68.3 Å²	68.3	32%	0.317	33%	0.332	S	S	.	.	H	α-helix	trans	-56.5	-49.7	177.3	-163.4	-172.9	71.3	65.8	22.5	111.6	W40 I80 E81 T86 F87 E88	W40-R84 HydrophobicContact CH2-CG 4.33Å; W40-R84 HydrophobicContact CZ3-CG 4.35Å; I80-R84 PolarHBondContact O-N 3.4Å; E81-R84 WeakPolarHBondContact O-CB 3.14Å; E81-R84 PolarHBondContact O-N 2.87Å; E81-R84 IonicContact OE1-CZ 2.74Å; E81-R84 IonicContact OE1-NE 2.73Å; E81-R84 PolarHBondContact OE1-NE 2.62Å; E81-R84 IonicContact OE1-NH2 2.66Å; E81-R84 PolarHBondContact OE1-NH2 2.98Å; E81-R84 IonicContact OE2-CZ 3.49Å; E81-R84 IonicContact OE2-NE 3.39Å; E81-R84 PolarHBondContact OE2-NE 2.93Å; E81-R84 IonicContact OE2-NH2 2.75Å; R84-T86 VanDerWaalsContact C-N 3.3Å; R84-T86 PolarHBondContact O-N 3.17Å; R84-F87 PolarHBondContact O-N 3.07Å; R84-F87 VanDerWaalsContact O-N 3.1Å; R84-E88 IonicContact CZ-OE1 3.55Å; R84-E88 IonicContact CZ-OE2 3.28Å; R84-E88 IonicContact NH1-OE1 3.6Å; R84-E88 PolarHBondContact NH1-OE1 3.21Å; R84-E88 IonicContact NH1-OE2 2.82Å; R84-E88 PolarHBondContact NH1-OE2 3.01Å; R84-E88 IonicContact NH2-OE2 2.7Å; R84-E88 PolarHBondContact NH2-OE2 2.96Å; R84-E88 PolarHBondContact O-N 3.42Å; R84-E88 VanDerWaalsContact O-N 3.14Å
85	Q	93.3	Very high	91.6	Very high	85 Å²	85	65.1 Å²	65.1	40%	0.397	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-34.6	177.6	-69.3	170.6	10	0	0	112.9	E81 V83 F87 E88 N89	E81-Q85 WeakPolarHBondContact O-CG 3.36Å; E81-Q85 PolarHBondContact O-N 3.09Å; E81-Q85 PolarHBondContact OE1-NE2 2.73Å; V83-Q85 PolarHBondContact O-N 3.39Å; Q85-F87 VanDerWaalsContact C-N 3.35Å; Q85-F87 PolarHBondContact O-N 2.68Å; Q85-E88 PolarHBondContact O-N 2.93Å; Q85-N89 WeakPolarHBondContact O-CB 3.42Å; Q85-N89 PolarHBondContact O-N 3.47Å
86	T	93.3	Very high	91.6	Very high	4 Å²	4	68.6 Å²	68.6	3%	0.025	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-38.8	174.6	-63.6	0	0	0	0	112.4	K82 V83 R84 E88 Y90 E91 N93 F95 I113	K82-T86 PolarHBondContact O-N 3.03Å; K82-T86 VanDerWaalsContact O-N 3.11Å; K82-T86 PolarHBondContact O-OG1 3.29Å; V83-T86 WeakPolarHBondContact O-CB 3.38Å; V83-T86 PolarHBondContact O-N 2.83Å; R84-T86 VanDerWaalsContact C-N 3.3Å; R84-T86 PolarHBondContact O-N 3.17Å; T86-E88 VanDerWaalsContact C-N 3.34Å; T86-Y90 PolarHBondContact O-N 2.67Å; T86-E91 HydrophobicContact CG2-CB 4.25Å; T86-E91 WeakPolarHBondContact CG2-O 3.39Å; T86-E91 PolarHBondContact O-N 2.85Å; T86-N93 HydrophobicContact CG2-CB 3.83Å; T86-N93 PolarHBondContact OG1-ND2 3.26Å; T86-N93 VanDerWaalsContact OG1-ND2 3.14Å; T86-F95 HydrophobicContact CG2-CE2 4.35Å; T86-F95 WeakPolarHBondContact OG1-CE2 3.32Å; T86-F95 VanDerWaalsContact OG1-CZ 3.28Å; T86-F95 WeakPolarHBondContact OG1-CZ 3.37Å; T86-I113 HydrophobicContact CG2-CB 4.27Å; T86-I113 HydrophobicContact CG2-CD1 4.21Å; T86-I113 HydrophobicContact CG2-CG2 4.17Å
87	F	93.3	Very high	91.5	Very high	1 Å²	1	65.3 Å²	65.3	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-70.3	-29.6	175	-77.8	-78	0	0	0	112.6	W40 S65 T66 V83 R84 Q85 I113 F126	W40-F87 HydrophobicContact CB-CD1 4.48Å; W40-F87 HydrophobicContact CD2-CB 3.78Å; W40-F87 HydrophobicContact CD2-CD1 4.21Å; W40-F87 HydrophobicContact CD2-CG 4.12Å; W40-F87 HydrophobicContact CE3-CB 3.91Å; W40-F87 HydrophobicContact CE3-CG 4.15Å; W40-F87 HydrophobicContact CG-CD1 4.16Å; W40-F87 HydrophobicContact CH2-CB 3.76Å; W40-F87 HydrophobicContact CZ2-CB 3.62Å; W40-F87 HydrophobicContact CZ3-CB 3.9Å; W40-F87 HydrophobicContact CZ3-CG 4.47Å; S65-F87 WeakPolarHBondContact OG-CE1 3.19Å; S65-F87 WeakPolarHBondContact OG-CZ 3.25Å; T66-F87 HydrophobicContact CG2-CD2 3.78Å; T66-F87 HydrophobicContact CG2-CE2 3.75Å; V83-F87 HydrophobicContact CG1-CD2 4.04Å; V83-F87 HydrophobicContact CG1-CE2 3.78Å; V83-F87 VanDerWaalsContact O-CD2 3.28Å; V83-F87 WeakPolarHBondContact O-CD2 3.38Å; V83-F87 PolarHBondContact O-N 3.4Å; R84-F87 PolarHBondContact O-N 3.07Å; R84-F87 VanDerWaalsContact O-N 3.1Å; Q85-F87 VanDerWaalsContact C-N 3.35Å; Q85-F87 PolarHBondContact O-N 2.68Å; F87-I113 HydrophobicContact CD2-CD1 4.24Å; F87-I113 HydrophobicContact CE1-CG2 4.11Å; F87-I113 HydrophobicContact CE2-CD1 3.65Å; F87-I113 HydrophobicContact CE2-CG1 4.4Å; F87-I113 HydrophobicContact CZ-CD1 4.02Å; F87-I113 HydrophobicContact CZ-CG1 4.29Å; F87-I113 HydrophobicContact CZ-CG2 4.16Å; F87-F126 HydrophobicContact CB-CZ 4.39Å; F87-F126 HydrophobicContact CD1-CB 4.38Å; F87-F126 AromaticContact CD1-CD1 3.89Å; F87-F126 HydrophobicContact CD1-CD1 3.89Å; F87-F126 AromaticContact CD1-CD2 3.61Å; F87-F126 HydrophobicContact CD1-CD2 3.61Å; F87-F126 AromaticContact CD1-CE1 3.93Å; F87-F126 HydrophobicContact CD1-CE1 3.93Å; F87-F126 AromaticContact CD1-CE2 3.67Å; F87-F126 HydrophobicContact CD1-CE2 3.67Å; F87-F126 AromaticContact CD1-CG 3.71Å; F87-F126 HydrophobicContact CD1-CG 3.71Å; F87-F126 AromaticContact CD1-CZ 3.82Å; F87-F126 HydrophobicContact CD1-CZ 3.82Å; F87-F126 HydrophobicContact CE1-CB 3.83Å; F87-F126 AromaticContact CE1-CD1 3.99Å; F87-F126 HydrophobicContact CE1-CD1 3.99Å; F87-F126 AromaticContact CE1-CD2 3.91Å; F87-F126 HydrophobicContact CE1-CD2 3.91Å; F87-F126 HydrophobicContact CE1-CE1 4.49Å; F87-F126 HydrophobicContact CE1-CE2 4.42Å; F87-F126 AromaticContact CE1-CG 3.66Å; F87-F126 HydrophobicContact CE1-CG 3.66Å; F87-F126 WeakPolarHBondContact O-CZ 3.19Å
88	E	92.8	Very high	91.5	Very high	88 Å²	88	57.7 Å²	57.7	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-76.8	-41.5	176.1	-67.1	-176.9	140	0	0	112.8	W40 R84 Q85 T86 Y90	W40-E88 HydrophobicContact CH2-CG 3.78Å; W40-E88 HydrophobicContact CZ2-CG 3.78Å; R84-E88 IonicContact CZ-OE1 3.55Å; R84-E88 IonicContact CZ-OE2 3.28Å; R84-E88 IonicContact NH1-OE1 3.6Å; R84-E88 PolarHBondContact NH1-OE1 3.21Å; R84-E88 IonicContact NH1-OE2 2.82Å; R84-E88 PolarHBondContact NH1-OE2 3.01Å; R84-E88 IonicContact NH2-OE2 2.7Å; R84-E88 PolarHBondContact NH2-OE2 2.96Å; R84-E88 PolarHBondContact O-N 3.42Å; R84-E88 VanDerWaalsContact O-N 3.14Å; Q85-E88 PolarHBondContact O-N 2.93Å; T86-E88 VanDerWaalsContact C-N 3.34Å; E88-Y90 VanDerWaalsContact C-N 3.28Å; E88-Y90 PolarHBondContact O-N 3.38Å
89	N	93.4	Very high	91.5	Very high	99 Å²	99	52.8 Å²	52.8	53%	0.529	25%	0.253	S	S	.	.	H	α-helix	trans	-78.4	-9	179.6	-67.8	4.5	0	0	0	113.7	Q85 E91	Q85-N89 WeakPolarHBondContact O-CB 3.42Å; Q85-N89 PolarHBondContact O-N 3.47Å; N89-E91 VanDerWaalsContact C-N 3.32Å; N89-E91 HydrophobicContact CB-CB 4.48Å; N89-E91 HydrophobicContact CB-CG 3.81Å; N89-E91 WeakPolarHBondContact CB-OE1 3.38Å; N89-E91 PolarHBondContact ND2-OE1 2.94Å; N89-E91 PolarHBondContact O-N 2.93Å
90	Y	91.7	Very high	91.5	Very high	103 Å²	103	53.1 Å²	53.1	40%	0.404	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	41.5	-170.1	-54.4	-80	0	0	0	113.6	A35 T86 E88 P115 V123 F126	A35-Y90 HydrophobicContact CB-CE1 4.21Å; T86-Y90 PolarHBondContact O-N 2.67Å; E88-Y90 VanDerWaalsContact C-N 3.28Å; E88-Y90 PolarHBondContact O-N 3.38Å; Y90-P115 WeakPolarHBondContact O-CG 3.2Å; Y90-V123 HydrophobicContact CD1-CB 4.01Å; Y90-V123 HydrophobicContact CD1-CG1 3.84Å; Y90-V123 HydrophobicContact CD1-CG2 4.29Å; Y90-V123 HydrophobicContact CE1-CB 4.45Å; Y90-V123 HydrophobicContact CE1-CG1 4.4Å; Y90-V123 HydrophobicContact CG-CG2 4.4Å; Y90-F126 HydrophobicContact CD1-CE1 4.36Å; Y90-F126 HydrophobicContact CD1-CE2 4.03Å; Y90-F126 AromaticContact CD1-CZ 3.48Å; Y90-F126 HydrophobicContact CD1-CZ 3.48Å; Y90-F126 VanDerWaalsContact CD1-CZ 3.48Å; Y90-F126 HydrophobicContact CE1-CE2 4.13Å; Y90-F126 HydrophobicContact CE1-CZ 4.01Å; Y90-F126 HydrophobicContact CG-CZ 4.4Å
91	E	88.4	Confident	91.4	Very high	84 Å²	84	53.1 Å²	53.1	39%	0.393	25%	0.25	S	S	.	.			trans	-91.9	160.5	-178.9	-77.2	174.8	-147.8	0	0	113.4	T86 N89 N93	T86-E91 HydrophobicContact CG2-CB 4.25Å; T86-E91 WeakPolarHBondContact CG2-O 3.39Å; T86-E91 PolarHBondContact O-N 2.85Å; N89-E91 VanDerWaalsContact C-N 3.32Å; N89-E91 HydrophobicContact CB-CB 4.48Å; N89-E91 HydrophobicContact CB-CG 3.81Å; N89-E91 WeakPolarHBondContact CB-OE1 3.38Å; N89-E91 PolarHBondContact ND2-OE1 2.94Å; N89-E91 PolarHBondContact O-N 2.93Å; E91-N93 PolarHBondContact OE2-ND2 2.92Å
92	M	87.6	Confident	91.3	Very high	82 Å²	82	54 Å²	54	40%	0.404	25%	0.253	S	S	.	.			trans	-100	89.5	170	-170.9	-169.2	-54.2	0	0	110.6	K112 I113 A114 L195	M92-K112 WeakPolarHBondContact SD-CE 3.44Å; M92-I113 WeakPolarHBondContact CA-O 3.39Å; M92-I113 VanDerWaalsContact CG-O 3.27Å; M92-I113 WeakPolarHBondContact CG-O 3.39Å; M92-A114 HydrophobicContact CE-CB 4.21Å; M92-A114 HydrophobicContact CG-CB 3.99Å; M92-A114 HydrophobicContact SD-CB 4.42Å; M92-L195 HydrophobicContact CE-CD1 3.55Å
93	N	89.7	Confident	91.1	Very high	54 Å²	54	54.4 Å²	54.4	29%	0.289	26%	0.26	S	S	.	.			trans	-112.9	165.7	177.9	-71.2	-49.3	0	0	0	112.8	T86 E91 F95 I113	T86-N93 HydrophobicContact CG2-CB 3.83Å; T86-N93 PolarHBondContact OG1-ND2 3.26Å; T86-N93 VanDerWaalsContact OG1-ND2 3.14Å; E91-N93 PolarHBondContact OE2-ND2 2.92Å; N93-F95 HydrophobicContact CB-CE2 3.57Å; N93-F95 HydrophobicContact CB-CZ 3.7Å; N93-I113 PolarHBondContact N-O 2.9Å; N93-I113 PolarHBondContact O-N 2.83Å
94	S	89.6	Confident	90.8	Very high	53 Å²	53	61.9 Å²	61.9	37%	0.371	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.3	177.6	-58.1	0	0	0	0	110.9	V111 K112	S94-V111 CarbonylContact C-O 3.56Å; S94-V111 WeakPolarHBondContact CA-O 3.25Å; S94-K112 WeakPolarHBondContact OG-CG 3.5Å
95	F	90.4	Very high	90.4	Very high	30 Å²	30	59.8 Å²	59.8	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.5	-171.4	-62.3	-76.8	0	0	0	111.8	T79 K82 V83 T86 N93 F110 V111 I113	T79-F95 HydrophobicContact CG2-CB 4.45Å; T79-F95 HydrophobicContact CG2-CD1 4.47Å; K82-F95 HydrophobicContact CB-CE1 3.72Å; K82-F95 HydrophobicContact CB-CZ 4.2Å; V83-F95 HydrophobicContact CG2-CB 4.14Å; V83-F95 HydrophobicContact CG2-CD1 4.24Å; V83-F95 HydrophobicContact CG2-CD2 3.54Å; V83-F95 HydrophobicContact CG2-CE2 3.97Å; V83-F95 HydrophobicContact CG2-CG 3.69Å; V83-F95 HydrophobicContact CG2-CZ 4.49Å; T86-F95 HydrophobicContact CG2-CE2 4.35Å; T86-F95 WeakPolarHBondContact OG1-CE2 3.32Å; T86-F95 VanDerWaalsContact OG1-CZ 3.28Å; T86-F95 WeakPolarHBondContact OG1-CZ 3.37Å; N93-F95 HydrophobicContact CB-CE2 3.57Å; N93-F95 HydrophobicContact CB-CZ 3.7Å; F95-F110 WeakPolarHBondContact O-CA 3.35Å; F95-V111 PolarHBondContact N-O 2.73Å; F95-V111 PolarHBondContact O-N 2.81Å; F95-I113 HydrophobicContact CD2-CD1 4.14Å; F95-I113 HydrophobicContact CE2-CD1 4.14Å
96	E	89.5	Confident	90	Very high	84 Å²	84	57.5 Å²	57.5	39%	0.393	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.1	167.1	-65.4	-175.1	134.5	0	0	108.2	F109 F110 I133 K137	E96-F109 WeakPolarHBondContact CA-O 3.43Å; E96-F110 HydrophobicContact CG-CD2 4.04Å; E96-I133 HydrophobicContact CB-CD1 4.15Å; E96-I133 HydrophobicContact CG-CD1 3.78Å; E96-I133 WeakPolarHBondContact OE1-CD1 3.39Å; E96-K137 WeakPolarHBondContact OE1-CE 3.45Å; E96-K137 IonicContact OE1-NZ 3.22Å; E96-K137 WeakPolarHBondContact OE2-CE 3.47Å; E96-K137 IonicContact OE2-NZ 3.43Å; E96-K137 PolarHBondContact OE2-NZ 3.44Å
97	I	90.5	Very high	89.7	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.3	-173.6	-171.8	172.9	0	0	0	111.4	Y71 T75 T79 I80 M99 F109 V111	Y71-I97 HydrophobicContact CE1-CD1 4.22Å; T75-I97 HydrophobicContact CG2-CD1 3.88Å; T75-I97 HydrophobicContact CG2-CG1 3.94Å; T79-I97 HydrophobicContact CG2-CB 3.98Å; T79-I97 HydrophobicContact CG2-CD1 4.17Å; T79-I97 HydrophobicContact CG2-CG1 4.11Å; I80-I97 HydrophobicContact CG1-CD1 4.19Å; I97-M99 HydrophobicContact CD1-CG 4.31Å; I97-M99 HydrophobicContact CD1-SD 4.48Å; I97-M99 HydrophobicContact CG1-CG 4.09Å; I97-M99 HydrophobicContact CG2-CE 4.01Å; I97-M99 HydrophobicContact CG2-CG 4.12Å; I97-M99 HydrophobicContact CG2-SD 4.12Å; I97-F109 PolarHBondContact N-O 2.78Å; I97-F109 PolarHBondContact O-N 2.85Å; I97-V111 HydrophobicContact CG2-CG2 3.78Å
98	L	90.3	Very high	89.3	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.5	173	-172.7	162.7	0	0	0	109.4	L74 T75 Y100 P106 V107 W108 I140	L74-L98 HydrophobicContact CB-CD1 4.09Å; L74-L98 HydrophobicContact CB-CD2 3.9Å; T75-L98 WeakPolarHBondContact CB-O 3.43Å; T75-L98 VanDerWaalsContact CG2-O 3.3Å; T75-L98 WeakPolarHBondContact CG2-O 3.44Å; T75-L98 PolarHBondContact OG1-O 2.97Å; L98-Y100 HydrophobicContact CD2-CD2 4.38Å; L98-Y100 HydrophobicContact CD2-CE2 3.88Å; L98-P106 HydrophobicContact CD1-CB 4.49Å; L98-P106 HydrophobicContact CD2-CB 3.83Å; L98-P106 HydrophobicContact CG-CB 4.33Å; L98-V107 WeakPolarHBondContact CA-O 3.47Å; L98-W108 HydrophobicContact CB-CD2 4.06Å; L98-W108 HydrophobicContact CB-CE3 4.19Å; L98-W108 HydrophobicContact CB-CH2 4.27Å; L98-W108 HydrophobicContact CB-CZ2 4.15Å; L98-W108 HydrophobicContact CB-CZ3 4.29Å; L98-W108 HydrophobicContact CD1-CZ2 4.18Å; L98-I140 HydrophobicContact CD1-CD1 4.46Å
99	M	91.9	Very high	89.2	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.7	176.3	-57.7	-174.4	-67.3	0	0	111.2	C67 M70 Y71 I97 V107 F109 V111 F130	C67-M99 HydrophobicContact CB-CE 4.47Å; C67-M99 HydrophobicContact CB-SD 3.95Å; M70-M99 HydrophobicContact CB-CB 3.96Å; M70-M99 HydrophobicContact CB-SD 4.31Å; M70-M99 HydrophobicContact CE-CB 4.39Å; M70-M99 CarbonylContact O-C 3.58Å; M70-M99 WeakPolarHBondContact O-CA 3.3Å; M70-M99 WeakPolarHBondContact O-CB 3.5Å; Y71-M99 HydrophobicContact CD1-CG 4.29Å; Y71-M99 HydrophobicContact CD1-SD 4.21Å; Y71-M99 HydrophobicContact CE1-SD 3.98Å; I97-M99 HydrophobicContact CD1-CG 4.31Å; I97-M99 HydrophobicContact CD1-SD 4.48Å; I97-M99 HydrophobicContact CG1-CG 4.09Å; I97-M99 HydrophobicContact CG2-CE 4.01Å; I97-M99 HydrophobicContact CG2-CG 4.12Å; I97-M99 HydrophobicContact CG2-SD 4.12Å; M99-V107 PolarHBondContact N-O 2.95Å; M99-V107 PolarHBondContact O-N 3.02Å; M99-V107 VanDerWaalsContact O-O 3.11Å; M99-F109 HydrophobicContact CB-CD2 3.78Å; M99-F109 HydrophobicContact CB-CE2 3.82Å; M99-F109 HydrophobicContact CE-CB 3.94Å; M99-F109 HydrophobicContact CE-CD2 3.47Å; M99-F109 VanDerWaalsContact CE-CD2 3.47Å; M99-F109 HydrophobicContact CE-CE2 4.11Å; M99-F109 HydrophobicContact CE-CG 3.82Å; M99-F109 HydrophobicContact CG-CD2 4.33Å; M99-V111 HydrophobicContact CE-CG2 4.13Å; M99-F130 HydrophobicContact CE-CD1 4.26Å; M99-F130 HydrophobicContact CE-CE1 4.09Å
100	Y	90.5	Very high	88.9	Confident	30 Å²	30	52.9 Å²	52.9	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.5	-172.8	-67.3	-105.3	0	0	0	111.1	M70 L74 L98 R104 P106	M70-Y100 WeakPolarHBondContact CB-O 3.5Å; M70-Y100 PolarHBondContact O-N 3.36Å; L74-Y100 WeakPolarHBondContact CB-OH 3.34Å; L74-Y100 WeakPolarHBondContact CG-OH 3.38Å; L74-Y100 PolarHBondContact N-OH 2.82Å; L74-Y100 VanDerWaalsContact N-OH 3.09Å; L98-Y100 HydrophobicContact CD2-CD2 4.38Å; L98-Y100 HydrophobicContact CD2-CE2 3.88Å; Y100-R104 WeakPolarHBondContact CD1-O 3.27Å; Y100-P106 HydrophobicContact CE1-CB 4.38Å
101	K	90.5	Very high	88.9	Confident	43 Å²	43	48.6 Å²	48.6	19%	0.187	23%	0.233	C	C	.	.			trans	-70.1	167	167.7	-78.3	170.6	170.5	136.6	0	110.7	L52 N103 R104 T105 V107 D132	L52-K101 WeakPolarHBondContact O-CE 3.41Å; K101-N103 WeakPolarHBondContact CB-OD1 3.37Å; K101-N103 PolarHBondContact O-N 2.89Å; K101-N103 VanDerWaalsContact O-N 3.09Å; K101-R104 WeakPolarHBondContact O-CA 3.4Å; K101-R104 PolarHBondContact O-N 3.07Å; K101-T105 PolarHBondContact N-O 2.78Å; K101-V107 HydrophobicContact CD-CG2 3.57Å; K101-V107 HydrophobicContact CG-CG2 3.86Å; K101-V107 VanDerWaalsContact NZ-CG2 3.26Å; K101-D132 IonicContact NZ-OD2 3.66Å; K101-D132 PolarHBondContact NZ-OD2 2.8Å; K101-D132 VanDerWaalsContact NZ-OD2 3.17Å
102	K	91.2	Very high	88.8	Confident	85 Å²	85	45.1 Å²	45.1	37%	0.37	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.2	178.9	-168.8	174.6	-173.5	175	0	114.2	S53 G54 Y55 E59 R104	S53-K102 PolarHBondContact O-N 2.91Å; G54-K102 WeakPolarHBondContact O-CD 3.43Å; Y55-K102 HydrophobicContact CD1-CB 4.29Å; Y55-K102 HydrophobicContact CD1-CD 3.84Å; Y55-K102 HydrophobicContact CD1-CG 4.03Å; Y55-K102 HydrophobicContact CD2-CB 3.8Å; Y55-K102 HydrophobicContact CD2-CG 4.44Å; Y55-K102 HydrophobicContact CE1-CB 4.11Å; Y55-K102 HydrophobicContact CE1-CD 4.11Å; Y55-K102 HydrophobicContact CE1-CG 3.79Å; Y55-K102 HydrophobicContact CE2-CB 3.59Å; Y55-K102 HydrophobicContact CE2-CG 4.23Å; Y55-K102 HydrophobicContact CG-CB 4.15Å; Y55-K102 HydrophobicContact CG-CD 4.13Å; Y55-K102 HydrophobicContact CG-CG 4.35Å; E59-K102 IonicContact OE1-NZ 2.65Å; E59-K102 PolarHBondContact OE1-NZ 3.23Å; E59-K102 IonicContact OE2-NZ 2.76Å; E59-K102 PolarHBondContact OE2-NZ 2.99Å; K102-R104 PolarHBondContact O-N 2.82Å
103	N	88.9	Confident	89	Confident	110 Å²	110	41.2 Å²	41.2	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	13.5	174.8	68.8	-20.8	0	0	0	113.9	K101 T105	K101-N103 WeakPolarHBondContact CB-OD1 3.37Å; K101-N103 PolarHBondContact O-N 2.89Å; K101-N103 VanDerWaalsContact O-N 3.09Å; N103-T105 WeakPolarHBondContact ND2-CG2 3.46Å; N103-T105 PolarHBondContact ND2-OG1 3.3Å; N103-T105 PolarHBondContact O-N 2.85Å; N103-T105 PolarHBondContact OD1-N 2.94Å; N103-T105 PolarHBondContact OD1-OG1 3.37Å
104	R	85.6	Confident	89	Confident	164 Å²	164	38.9 Å²	38.9	62%	0.619	19%	0.186	S	C	*	.			trans	59	16.7	-176.3	-59.5	-64	-166.3	167.6	4.7	115.9	Y100 K101 K102	Y100-R104 WeakPolarHBondContact CD1-O 3.27Å; K101-R104 WeakPolarHBondContact O-CA 3.4Å; K101-R104 PolarHBondContact O-N 3.07Å; K102-R104 PolarHBondContact O-N 2.82Å
105	T	85.1	Confident	89.1	Confident	40 Å²	40	37.4 Å²	37.4	25%	0.245	18%	0.175	C	C	.	.			trans	-74.6	130.6	169.4	55.8	0	0	0	0	110.6	K101 N103	K101-T105 PolarHBondContact N-O 2.78Å; N103-T105 WeakPolarHBondContact ND2-CG2 3.46Å; N103-T105 PolarHBondContact ND2-OG1 3.3Å; N103-T105 PolarHBondContact O-N 2.85Å; N103-T105 PolarHBondContact OD1-N 2.94Å; N103-T105 PolarHBondContact OD1-OG1 3.37Å
106	P	86	Confident	89	Confident	38 Å²	38	36.1 Å²	36.1	25%	0.247	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.1	174.7	31.4	-35	0	0	0	110.8	L98 Y100	L98-P106 HydrophobicContact CD1-CB 4.49Å; L98-P106 HydrophobicContact CD2-CB 3.83Å; L98-P106 HydrophobicContact CG-CB 4.33Å; Y100-P106 HydrophobicContact CE1-CB 4.38Å
107	V	85.8	Confident	88.8	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	132.2	-175.4	177	0	0	0	0	108.3	L98 M99 K101 F109 D132 T134	L98-V107 WeakPolarHBondContact CA-O 3.47Å; M99-V107 PolarHBondContact N-O 2.95Å; M99-V107 PolarHBondContact O-N 3.02Å; M99-V107 VanDerWaalsContact O-O 3.11Å; K101-V107 HydrophobicContact CD-CG2 3.57Å; K101-V107 HydrophobicContact CG-CG2 3.86Å; K101-V107 VanDerWaalsContact NZ-CG2 3.26Å; V107-F109 HydrophobicContact CB-CD2 4.18Å; V107-F109 HydrophobicContact CB-CE2 3.54Å; V107-F109 HydrophobicContact CB-CZ 3.76Å; V107-F109 HydrophobicContact CG1-CD1 4.14Å; V107-F109 HydrophobicContact CG1-CD2 3.99Å; V107-F109 HydrophobicContact CG1-CE1 3.71Å; V107-F109 HydrophobicContact CG1-CE2 3.57Å; V107-F109 HydrophobicContact CG1-CG 4.28Å; V107-F109 HydrophobicContact CG1-CZ 3.43Å; V107-F109 VanDerWaalsContact CG1-CZ 3.43Å; V107-F109 HydrophobicContact CG2-CZ 4.43Å; V107-F109 WeakPolarHBondContact O-CD2 3.48Å; V107-D132 WeakPolarHBondContact CG1-OD2 3.3Å; V107-T134 WeakPolarHBondContact CG1-OG1 3.41Å
108	W	86.4	Confident	88.5	Confident	61 Å²	61	39.2 Å²	39.2	23%	0.231	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119	169.4	-77.9	95.9	0	0	0	109.4	L98 I133 T134 K137	L98-W108 HydrophobicContact CB-CD2 4.06Å; L98-W108 HydrophobicContact CB-CE3 4.19Å; L98-W108 HydrophobicContact CB-CH2 4.27Å; L98-W108 HydrophobicContact CB-CZ2 4.15Å; L98-W108 HydrophobicContact CB-CZ3 4.29Å; L98-W108 HydrophobicContact CD1-CZ2 4.18Å; W108-I133 HydrophobicContact CB-CD1 4.33Å; W108-I133 HydrophobicContact CB-CG1 3.72Å; W108-I133 VanDerWaalsContact O-CG1 3.31Å; W108-I133 WeakPolarHBondContact O-CG1 3.4Å; W108-I133 PolarHBondContact O-N 3.25Å; W108-T134 PolarHBondContact N-OG1 2.97Å; W108-K137 HydrophobicContact CB-CB 4.44Å; W108-K137 HydrophobicContact CB-CG 4.1Å; W108-K137 HydrophobicContact CD2-CB 4.35Å; W108-K137 HydrophobicContact CD2-CG 3.96Å; W108-K137 HydrophobicContact CG-CB 3.9Å; W108-K137 HydrophobicContact CG-CG 3.77Å
109	F	89.4	Confident	88	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.1	174.4	-64.3	-82.3	0	0	0	110.3	L52 M70 E96 I97 M99 V107 V111 F130 S131	L52-F109 HydrophobicContact CD1-CE1 4.02Å; L52-F109 HydrophobicContact CD2-CD1 4.28Å; L52-F109 HydrophobicContact CD2-CE1 3.81Å; L52-F109 HydrophobicContact CG-CE1 3.81Å; M70-F109 HydrophobicContact CE-CE2 3.78Å; M70-F109 HydrophobicContact CE-CZ 3.8Å; E96-F109 WeakPolarHBondContact CA-O 3.43Å; I97-F109 PolarHBondContact N-O 2.78Å; I97-F109 PolarHBondContact O-N 2.85Å; M99-F109 HydrophobicContact CB-CD2 3.78Å; M99-F109 HydrophobicContact CB-CE2 3.82Å; M99-F109 HydrophobicContact CE-CB 3.94Å; M99-F109 HydrophobicContact CE-CD2 3.47Å; M99-F109 VanDerWaalsContact CE-CD2 3.47Å; M99-F109 HydrophobicContact CE-CE2 4.11Å; M99-F109 HydrophobicContact CE-CG 3.82Å; M99-F109 HydrophobicContact CG-CD2 4.33Å; V107-F109 HydrophobicContact CB-CD2 4.18Å; V107-F109 HydrophobicContact CB-CE2 3.54Å; V107-F109 HydrophobicContact CB-CZ 3.76Å; V107-F109 HydrophobicContact CG1-CD1 4.14Å; V107-F109 HydrophobicContact CG1-CD2 3.99Å; V107-F109 HydrophobicContact CG1-CE1 3.71Å; V107-F109 HydrophobicContact CG1-CE2 3.57Å; V107-F109 HydrophobicContact CG1-CG 4.28Å; V107-F109 HydrophobicContact CG1-CZ 3.43Å; V107-F109 VanDerWaalsContact CG1-CZ 3.43Å; V107-F109 HydrophobicContact CG2-CZ 4.43Å; V107-F109 WeakPolarHBondContact O-CD2 3.48Å; F109-V111 HydrophobicContact CB-CG2 3.83Å; F109-F130 HydrophobicContact CD1-CB 4.44Å; F109-S131 WeakPolarHBondContact CA-O 3.38Å
110	F	88.5	Confident	87.5	Confident	28 Å²	28	50 Å²	50	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.6	155.9	-176.5	-109.5	0	0	0	107.7	F95 E96 F130 S131 I133 L184 V187	F95-F110 WeakPolarHBondContact O-CA 3.35Å; E96-F110 HydrophobicContact CG-CD2 4.04Å; F110-F130 WeakPolarHBondContact O-CA 3.35Å; F110-S131 PolarHBondContact N-O 3.25Å; F110-S131 PolarHBondContact O-N 3.23Å; F110-I133 HydrophobicContact CB-CD1 4.28Å; F110-I133 HydrophobicContact CB-CG2 3.82Å; F110-L184 HydrophobicContact CE1-CD1 4.05Å; F110-L184 HydrophobicContact CE2-CD1 3.96Å; F110-L184 HydrophobicContact CZ-CD1 3.56Å; F110-L184 HydrophobicContact CZ-CG 4.35Å; F110-V187 HydrophobicContact CE1-CG1 4.12Å
111	V	90.3	Very high	87.1	Confident	12 Å²	12	52.4 Å²	52.4	7%	0.073	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114	-177.6	-173.2	0	0	0	0	108.5	S94 F95 I97 M99 F109 I113 T129 F130	S94-V111 CarbonylContact C-O 3.56Å; S94-V111 WeakPolarHBondContact CA-O 3.25Å; F95-V111 PolarHBondContact N-O 2.73Å; F95-V111 PolarHBondContact O-N 2.81Å; I97-V111 HydrophobicContact CG2-CG2 3.78Å; M99-V111 HydrophobicContact CE-CG2 4.13Å; F109-V111 HydrophobicContact CB-CG2 3.83Å; V111-I113 HydrophobicContact CG1-CG1 4.34Å; V111-T129 WeakPolarHBondContact CA-O 3.31Å; V111-F130 HydrophobicContact CG1-CD1 4.22Å; V111-F130 HydrophobicContact CG1-CE1 3.87Å; V111-F130 HydrophobicContact CG1-CZ 4.27Å; V111-F130 HydrophobicContact CG2-CD1 3.68Å; V111-F130 HydrophobicContact CG2-CE1 3.85Å
112	K	86.8	Confident	86.9	Confident	11 Å²	11	56.4 Å²	56.4	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.9	168.2	176	175.4	179.4	-178.1	0	109.4	M92 S94 C128 T129 V187	M92-K112 WeakPolarHBondContact SD-CE 3.44Å; S94-K112 WeakPolarHBondContact OG-CG 3.5Å; K112-C128 CarbonylContact O-C 3.57Å; K112-C128 WeakPolarHBondContact O-CA 3.4Å; K112-T129 PolarHBondContact N-O 2.99Å; K112-T129 PolarHBondContact O-N 3.02Å; K112-V187 HydrophobicContact CB-CG1 4.09Å; K112-V187 HydrophobicContact CD-CG1 3.56Å; K112-V187 HydrophobicContact CG-CG1 4.46Å; K112-V187 PolarHBondContact NZ-O 3.16Å
113	I	91.4	Very high	86.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.4	177.3	-59.1	165.2	0	0	0	107.3	V83 T86 F87 M92 N93 F95 V111 F126 L127	V83-I113 HydrophobicContact CG1-CD1 4.06Å; T86-I113 HydrophobicContact CG2-CB 4.27Å; T86-I113 HydrophobicContact CG2-CD1 4.21Å; T86-I113 HydrophobicContact CG2-CG2 4.17Å; F87-I113 HydrophobicContact CD2-CD1 4.24Å; F87-I113 HydrophobicContact CE1-CG2 4.11Å; F87-I113 HydrophobicContact CE2-CD1 3.65Å; F87-I113 HydrophobicContact CE2-CG1 4.4Å; F87-I113 HydrophobicContact CZ-CD1 4.02Å; F87-I113 HydrophobicContact CZ-CG1 4.29Å; F87-I113 HydrophobicContact CZ-CG2 4.16Å; M92-I113 WeakPolarHBondContact CA-O 3.39Å; M92-I113 VanDerWaalsContact CG-O 3.27Å; M92-I113 WeakPolarHBondContact CG-O 3.39Å; N93-I113 PolarHBondContact N-O 2.9Å; N93-I113 PolarHBondContact O-N 2.83Å; F95-I113 HydrophobicContact CD2-CD1 4.14Å; F95-I113 HydrophobicContact CE2-CD1 4.14Å; V111-I113 HydrophobicContact CG1-CG1 4.34Å; I113-F126 HydrophobicContact CG2-CD1 3.83Å; I113-F126 HydrophobicContact CG2-CE1 4.32Å; I113-L127 CarbonylContact C-O 3.58Å; I113-L127 WeakPolarHBondContact CA-O 3.34Å
114	A	89.7	Confident	86.9	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.2	175.2	0	0	0	0	0	111.3	M92 F126 L127 L195	M92-A114 HydrophobicContact CE-CB 4.21Å; M92-A114 HydrophobicContact CG-CB 3.99Å; M92-A114 HydrophobicContact SD-CB 4.42Å; A114-F126 WeakPolarHBondContact O-CA 3.21Å; A114-L127 PolarHBondContact N-O 3.24Å; A114-L127 PolarHBondContact O-N 3.24Å; A114-L195 HydrophobicContact CB-CD2 3.73Å
115	P	91.4	Very high	87.3	Confident	21 Å²	21	41.8 Å²	41.8	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.8	173.1	33	-37.7	0	0	0	110.6	Y90 V123 F126	Y90-P115 WeakPolarHBondContact O-CG 3.2Å; P115-V123 HydrophobicContact CB-CG1 3.72Å; P115-V123 HydrophobicContact CB-CG2 4.17Å; P115-F126 HydrophobicContact CB-CD1 4.37Å; P115-F126 HydrophobicContact CB-CE1 4.15Å
116	I	88.5	Confident	87.6	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126	177.6	-61.9	146.5	0	0	0	109	F17 L32 V123 V124 L125 L127 L195	F17-I116 HydrophobicContact CE2-CD1 4.08Å; F17-I116 HydrophobicContact CE2-CG1 4.29Å; F17-I116 HydrophobicContact CE2-CG2 3.71Å; F17-I116 HydrophobicContact CZ-CD1 3.58Å; F17-I116 HydrophobicContact CZ-CG1 4.28Å; F17-I116 HydrophobicContact CZ-CG2 4.15Å; L32-I116 HydrophobicContact CD2-CD1 3.8Å; I116-V123 WeakPolarHBondContact O-CA 3.47Å; I116-V124 PolarHBondContact O-N 3.17Å; I116-L125 HydrophobicContact CB-CB 4.02Å; I116-L125 WeakPolarHBondContact CB-O 3.42Å; I116-L125 HydrophobicContact CD1-CB 3.6Å; I116-L125 HydrophobicContact CG1-CB 4.46Å; I116-L125 HydrophobicContact CG2-CB 4.47Å; I116-L125 PolarHBondContact N-O 3.42Å; I116-L127 HydrophobicContact CD1-CB 3.84Å; I116-L127 HydrophobicContact CG1-CB 4.37Å; I116-L195 HydrophobicContact CG1-CD2 4.34Å
117	R	85.9	Confident	87.9	Confident	110 Å²	110	38.6 Å²	38.6	42%	0.415	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	148	179.5	-62.4	-179	-178	-127.4	-2.2	111.6	D121 K122 V123 Q197 Y198	R117-D121 WeakPolarHBondContact CD-O 3.46Å; R117-D121 WeakPolarHBondContact CD-OD1 3.38Å; R117-D121 VanDerWaalsContact CG-O 3.25Å; R117-D121 WeakPolarHBondContact CG-O 3.35Å; R117-D121 IonicContact CZ-OD2 3.41Å; R117-D121 IonicContact NH1-OD2 2.69Å; R117-D121 PolarHBondContact NH1-OD2 3.02Å; R117-K122 WeakPolarHBondContact CA-O 3.43Å; R117-V123 HydrophobicContact CG-CG2 4.03Å; R117-Q197 WeakPolarHBondContact O-CA 3.02Å; R117-Q197 WeakPolarHBondContact O-CB 3.35Å; R117-Y198 PolarHBondContact O-N 2.84Å
118	N	84.6	Confident	88.1	Confident	46 Å²	46	38.3 Å²	38.3	25%	0.246	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-90.9	179.2	173.5	-167.2	-9.3	0	0	0	109.8	Q120 D121 K122 V124 Y198	N118-Q120 PolarHBondContact O-N 2.79Å; N118-D121 WeakPolarHBondContact O-CA 3.34Å; N118-D121 PolarHBondContact O-N 2.87Å; N118-K122 PolarHBondContact N-O 2.77Å; N118-V124 HydrophobicContact CB-CG1 3.72Å; N118-V124 HydrophobicContact CB-CG2 3.94Å; N118-Y198 PolarHBondContact OD1-O 3.11Å
119	E	79.6	Confident	88.3	Confident	96 Å²	96	36 Å²	36	45%	0.449	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21	-179.8	-16.5	-163.1	171.1	0	0	114.2	D121 K199 Q200	E119-D121 VanDerWaalsContact C-N 3.28Å; E119-K199 HydrophobicContact CB-CD 4.23Å; E119-K199 HydrophobicContact CB-CG 4.34Å; E119-K199 HydrophobicContact CG-CB 4.05Å; E119-K199 HydrophobicContact CG-CD 4.15Å; E119-K199 HydrophobicContact CG-CG 3.71Å; E119-K199 WeakPolarHBondContact OE1-CG 3.35Å; E119-K199 IonicContact OE2-NZ 3.74Å; E119-K199 PolarHBondContact OE2-NZ 3.19Å; E119-Q200 PolarHBondContact OE1-N 3.13Å; E119-Q200 VanDerWaalsContact OE1-N 3.16Å
120	Q	82.2	Confident	88.2	Confident	140 Å²	140	36 Å²	36	65%	0.654	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	16.9	176.4	-58.2	-179.3	-1	0	0	112.5	N118 K122	N118-Q120 PolarHBondContact O-N 2.79Å; Q120-K122 PolarHBondContact O-N 2.98Å
121	D	81.6	Confident	88	Confident	81 Å²	81	36.1 Å²	36.1	43%	0.433	18%	0.177	S	C	.	.	S	Bend	trans	56.2	-3.7	-172.8	-155.1	59.2	0	0	0	116.9	R117 N118 E119	R117-D121 WeakPolarHBondContact CD-O 3.46Å; R117-D121 WeakPolarHBondContact CD-OD1 3.38Å; R117-D121 VanDerWaalsContact CG-O 3.25Å; R117-D121 WeakPolarHBondContact CG-O 3.35Å; R117-D121 IonicContact CZ-OD2 3.41Å; R117-D121 IonicContact NH1-OD2 2.69Å; R117-D121 PolarHBondContact NH1-OD2 3.02Å; N118-D121 WeakPolarHBondContact O-CA 3.34Å; N118-D121 PolarHBondContact O-N 2.87Å; E119-D121 VanDerWaalsContact C-N 3.28Å
122	K	87.1	Confident	87.7	Confident	126 Å²	126	37.7 Å²	37.7	55%	0.548	19%	0.185	S	C	.	.			trans	-64	135	173	-66.5	175.5	-177.5	170.4	0	111.4	R117 N118 Q120	R117-K122 WeakPolarHBondContact CA-O 3.43Å; N118-K122 PolarHBondContact N-O 2.77Å; Q120-K122 PolarHBondContact O-N 2.98Å
123	V	89	Confident	87.6	Confident	19 Å²	19	38.2 Å²	38.2	12%	0.115	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.1	169.9	-171.2	0	0	0	0	109.5	A35 Q36 Y90 P115 I116 R117	A35-V123 HydrophobicContact CB-CG1 3.76Å; Q36-V123 PolarHBondContact NE2-O 2.92Å; Y90-V123 HydrophobicContact CD1-CB 4.01Å; Y90-V123 HydrophobicContact CD1-CG1 3.84Å; Y90-V123 HydrophobicContact CD1-CG2 4.29Å; Y90-V123 HydrophobicContact CE1-CB 4.45Å; Y90-V123 HydrophobicContact CE1-CG1 4.4Å; Y90-V123 HydrophobicContact CG-CG2 4.4Å; P115-V123 HydrophobicContact CB-CG1 3.72Å; P115-V123 HydrophobicContact CB-CG2 4.17Å; I116-V123 WeakPolarHBondContact O-CA 3.47Å; R117-V123 HydrophobicContact CG-CG2 4.03Å
124	V	90.7	Very high	86.9	Confident	17 Å²	17	40.3 Å²	40.3	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-28.8	-177.6	-73.6	0	0	0	0	113.4	A35 I116 N118 Y198	A35-V124 VanDerWaalsContact CB-C 3.47Å; A35-V124 PolarHBondContact N-O 3.3Å; I116-V124 PolarHBondContact O-N 3.17Å; N118-V124 HydrophobicContact CB-CG1 3.72Å; N118-V124 HydrophobicContact CB-CG2 3.94Å; V124-Y198 HydrophobicContact CG2-CD1 4.43Å; V124-Y198 HydrophobicContact CG2-CG 4.4Å
125	L	92.4	Very high	85.9	Confident	17 Å²	17	41.8 Å²	41.8	9%	0.089	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.5	-175.5	-70	163.6	0	0	0	109.8	F17 G33 V43 I116 Y198	F17-L125 HydrophobicContact CE1-CD1 4.14Å; F17-L125 HydrophobicContact CZ-CD1 4.28Å; G33-L125 CarbonylContact O-C 3.31Å; G33-L125 VanDerWaalsContact O-CA 3.25Å; G33-L125 WeakPolarHBondContact O-CA 3.46Å; G33-L125 WeakPolarHBondContact O-CD2 3.35Å; V43-L125 HydrophobicContact CG2-CD2 3.91Å; I116-L125 HydrophobicContact CB-CB 4.02Å; I116-L125 WeakPolarHBondContact CB-O 3.42Å; I116-L125 HydrophobicContact CD1-CB 3.6Å; I116-L125 HydrophobicContact CG1-CB 4.46Å; I116-L125 HydrophobicContact CG2-CB 4.47Å; I116-L125 PolarHBondContact N-O 3.42Å; L125-Y198 HydrophobicContact CD1-CD2 3.54Å; L125-Y198 HydrophobicContact CD1-CE2 3.96Å; L125-Y198 HydrophobicContact CD1-CG 3.98Å
126	F	92.4	Very high	84.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.7	166.9	-77.5	-80.4	0	0	0	109.8	L32 G33 A35 W40 F87 Y90 I113 A114 P115	L32-F126 CarbonylContact C-O 3.58Å; L32-F126 VanDerWaalsContact CA-O 3.27Å; L32-F126 WeakPolarHBondContact CA-O 3.3Å; G33-F126 PolarHBondContact N-O 3.43Å; G33-F126 PolarHBondContact O-N 2.89Å; A35-F126 HydrophobicContact CB-CD2 3.57Å; A35-F126 HydrophobicContact CB-CE2 3.52Å; A35-F126 HydrophobicContact CB-CZ 4.47Å; W40-F126 AromaticContact CD1-CE2 3.93Å; F87-F126 HydrophobicContact CB-CZ 4.39Å; F87-F126 HydrophobicContact CD1-CB 4.38Å; F87-F126 AromaticContact CD1-CD1 3.89Å; F87-F126 HydrophobicContact CD1-CD1 3.89Å; F87-F126 AromaticContact CD1-CD2 3.61Å; F87-F126 HydrophobicContact CD1-CD2 3.61Å; F87-F126 AromaticContact CD1-CE1 3.93Å; F87-F126 HydrophobicContact CD1-CE1 3.93Å; F87-F126 AromaticContact CD1-CE2 3.67Å; F87-F126 HydrophobicContact CD1-CE2 3.67Å; F87-F126 AromaticContact CD1-CG 3.71Å; F87-F126 HydrophobicContact CD1-CG 3.71Å; F87-F126 AromaticContact CD1-CZ 3.82Å; F87-F126 HydrophobicContact CD1-CZ 3.82Å; F87-F126 HydrophobicContact CE1-CB 3.83Å; F87-F126 AromaticContact CE1-CD1 3.99Å; F87-F126 HydrophobicContact CE1-CD1 3.99Å; F87-F126 AromaticContact CE1-CD2 3.91Å; F87-F126 HydrophobicContact CE1-CD2 3.91Å; F87-F126 HydrophobicContact CE1-CE1 4.49Å; F87-F126 HydrophobicContact CE1-CE2 4.42Å; F87-F126 AromaticContact CE1-CG 3.66Å; F87-F126 HydrophobicContact CE1-CG 3.66Å; F87-F126 WeakPolarHBondContact O-CZ 3.19Å; Y90-F126 HydrophobicContact CD1-CE1 4.36Å; Y90-F126 HydrophobicContact CD1-CE2 4.03Å; Y90-F126 AromaticContact CD1-CZ 3.48Å; Y90-F126 HydrophobicContact CD1-CZ 3.48Å; Y90-F126 VanDerWaalsContact CD1-CZ 3.48Å; Y90-F126 HydrophobicContact CE1-CE2 4.13Å; Y90-F126 HydrophobicContact CE1-CZ 4.01Å; Y90-F126 HydrophobicContact CG-CZ 4.4Å; I113-F126 HydrophobicContact CG2-CD1 3.83Å; I113-F126 HydrophobicContact CG2-CE1 4.32Å; A114-F126 WeakPolarHBondContact O-CA 3.21Å; P115-F126 HydrophobicContact CB-CD1 4.37Å; P115-F126 HydrophobicContact CB-CE1 4.15Å
127	L	91.7	Very high	83.6	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.2	168.1	174.9	61.5	0	0	0	109	I21 F30 L32 I113 A114 I116 T129 L195	I21-L127 HydrophobicContact CD1-CD1 4.45Å; I21-L127 HydrophobicContact CD1-CD2 4.36Å; F30-L127 HydrophobicContact CB-CD1 3.82Å; F30-L127 HydrophobicContact CD2-CD1 3.61Å; F30-L127 HydrophobicContact CE2-CD1 4.41Å; F30-L127 HydrophobicContact CG-CD1 3.9Å; L32-L127 HydrophobicContact CD2-CB 4.14Å; L32-L127 HydrophobicContact CD2-CD1 3.92Å; I113-L127 CarbonylContact C-O 3.58Å; I113-L127 WeakPolarHBondContact CA-O 3.34Å; A114-L127 PolarHBondContact N-O 3.24Å; A114-L127 PolarHBondContact O-N 3.24Å; I116-L127 HydrophobicContact CD1-CB 3.84Å; I116-L127 HydrophobicContact CG1-CB 4.37Å; L127-T129 HydrophobicContact CD1-CG2 4.2Å; L127-T129 HydrophobicContact CD2-CG2 4.33Å; L127-T129 HydrophobicContact CG-CG2 4.06Å; L127-L195 HydrophobicContact CD2-CD2 4.42Å
128	C	91.1	Very high	82.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115	173.4	-55.7	0	0	0	0	108.9	F30 V31 K112 F130	F30-C128 WeakPolarHBondContact CA-O 2.83Å; F30-C128 WeakPolarHBondContact CB-O 3.48Å; V31-C128 HydrophobicContact CG2-CB 4.08Å; V31-C128 PolarHBondContact N-O 2.91Å; V31-C128 PolarHBondContact O-N 3.29Å; K112-C128 CarbonylContact O-C 3.57Å; K112-C128 WeakPolarHBondContact O-CA 3.4Å; C128-F130 HydrophobicContact CB-CE2 3.73Å; C128-F130 HydrophobicContact CB-CZ 3.88Å; C128-F130 WeakPolarHBondContact O-CD2 3.13Å; C128-F130 WeakPolarHBondContact O-CE2 3.21Å
129	T	89	Confident	80.7	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.4	178.1	61.5	0	0	0	0	111.1	N29 F30 V111 K112 L127 L190	N29-T129 CarbonylContact O-C 3.57Å; N29-T129 WeakPolarHBondContact O-CA 3.38Å; F30-T129 HydrophobicContact CB-CG2 4.11Å; V111-T129 WeakPolarHBondContact CA-O 3.31Å; K112-T129 PolarHBondContact N-O 2.99Å; K112-T129 PolarHBondContact O-N 3.02Å; L127-T129 HydrophobicContact CD1-CG2 4.2Å; L127-T129 HydrophobicContact CD2-CG2 4.33Å; L127-T129 HydrophobicContact CG-CG2 4.06Å; T129-L190 HydrophobicContact CG2-CD2 4.14Å
130	F	88.6	Confident	79.5	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.6	-172.5	-56.8	-100.5	0	0	0	111.5	N29 V31 F49 L52 C67 M99 F109 F110 V111 C128	N29-F130 HydrophobicContact CB-CB 4.4Å; N29-F130 WeakPolarHBondContact CB-O 3.5Å; N29-F130 PolarHBondContact ND2-O 3.42Å; N29-F130 VanDerWaalsContact ND2-O 3.13Å; N29-F130 PolarHBondContact O-N 3.3Å; V31-F130 HydrophobicContact CG1-CE2 4.11Å; V31-F130 HydrophobicContact CG2-CE2 3.99Å; V31-F130 HydrophobicContact CG2-CZ 4.33Å; F49-F130 HydrophobicContact CD2-CB 4.48Å; F49-F130 AromaticContact CD2-CD2 3.54Å; F49-F130 HydrophobicContact CD2-CD2 3.54Å; F49-F130 AromaticContact CD2-CE2 3.84Å; F49-F130 HydrophobicContact CD2-CE2 3.84Å; F49-F130 AromaticContact CD2-CG 3.97Å; F49-F130 HydrophobicContact CD2-CG 3.97Å; F49-F130 HydrophobicContact CE2-CD1 4.02Å; F49-F130 AromaticContact CE2-CD2 3.61Å; F49-F130 HydrophobicContact CE2-CD2 3.61Å; F49-F130 HydrophobicContact CE2-CE1 4.01Å; F49-F130 AromaticContact CE2-CE2 3.6Å; F49-F130 HydrophobicContact CE2-CE2 3.6Å; F49-F130 AromaticContact CE2-CG 3.84Å; F49-F130 HydrophobicContact CE2-CG 3.84Å; F49-F130 AromaticContact CE2-CZ 3.81Å; F49-F130 HydrophobicContact CE2-CZ 3.81Å; L52-F130 HydrophobicContact CD2-CB 4Å; C67-F130 VanDerWaalsContact SG-CZ 3.59Å; M99-F130 HydrophobicContact CE-CD1 4.26Å; M99-F130 HydrophobicContact CE-CE1 4.09Å; F109-F130 HydrophobicContact CD1-CB 4.44Å; F110-F130 WeakPolarHBondContact O-CA 3.35Å; V111-F130 HydrophobicContact CG1-CD1 4.22Å; V111-F130 HydrophobicContact CG1-CE1 3.87Å; V111-F130 HydrophobicContact CG1-CZ 4.27Å; V111-F130 HydrophobicContact CG2-CD1 3.68Å; V111-F130 HydrophobicContact CG2-CE1 3.85Å; C128-F130 HydrophobicContact CB-CE2 3.73Å; C128-F130 HydrophobicContact CB-CZ 3.88Å; C128-F130 WeakPolarHBondContact O-CD2 3.13Å; C128-F130 WeakPolarHBondContact O-CE2 3.21Å
131	S	84.9	Confident	78.2	Confident	29 Å²	29	52.5 Å²	52.5	20%	0.203	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.3	170.9	-70.9	0	0	0	0	110.8	F109 F110 I133	F109-S131 WeakPolarHBondContact CA-O 3.38Å; F110-S131 PolarHBondContact N-O 3.25Å; F110-S131 PolarHBondContact O-N 3.23Å; S131-I133 PolarHBondContact O-N 3.07Å
132	D	83.9	Confident	76.4	Confident	46 Å²	46	55.8 Å²	55.8	25%	0.246	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.8	174.4	-162.9	-35	0	0	0	109.5	L52 K101 V107 T134	L52-D132 HydrophobicContact CD1-CB 4.19Å; K101-D132 IonicContact NZ-OD2 3.66Å; K101-D132 PolarHBondContact NZ-OD2 2.8Å; K101-D132 VanDerWaalsContact NZ-OD2 3.17Å; V107-D132 WeakPolarHBondContact CG1-OD2 3.3Å; D132-T134 WeakPolarHBondContact OD1-CB 3.49Å; D132-T134 PolarHBondContact OD1-N 3.45Å; D132-T134 PolarHBondContact OD1-OG1 3.02Å
133	I	83	Confident	74.4	Confident	21 Å²	21	58 Å²	58	11%	0.108	31%	0.311	C	S	.	.			trans	-113.3	13.5	177.8	62.3	166.6	0	0	0	112.3	E96 W108 F110 S131 A135 F136 K137	E96-I133 HydrophobicContact CB-CD1 4.15Å; E96-I133 HydrophobicContact CG-CD1 3.78Å; E96-I133 WeakPolarHBondContact OE1-CD1 3.39Å; W108-I133 HydrophobicContact CB-CD1 4.33Å; W108-I133 HydrophobicContact CB-CG1 3.72Å; W108-I133 VanDerWaalsContact O-CG1 3.31Å; W108-I133 WeakPolarHBondContact O-CG1 3.4Å; W108-I133 PolarHBondContact O-N 3.25Å; F110-I133 HydrophobicContact CB-CD1 4.28Å; F110-I133 HydrophobicContact CB-CG2 3.82Å; S131-I133 PolarHBondContact O-N 3.07Å; I133-A135 PolarHBondContact O-N 2.91Å; I133-A135 VanDerWaalsContact O-N 3.1Å; I133-F136 HydrophobicContact CB-CD2 4.4Å; I133-F136 PolarHBondContact O-N 3.46Å; I133-K137 HydrophobicContact CD1-CG 4.32Å; I133-K137 PolarHBondContact O-N 3.2Å
134	T	77	Confident	72.5	Confident	45 Å²	45	62.4 Å²	62.4	28%	0.276	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.7	-175.7	-49.4	0	0	0	0	113.5	V107 W108 D132 F136	V107-T134 WeakPolarHBondContact CG1-OG1 3.41Å; W108-T134 PolarHBondContact N-OG1 2.97Å; D132-T134 WeakPolarHBondContact OD1-CB 3.49Å; D132-T134 PolarHBondContact OD1-N 3.45Å; D132-T134 PolarHBondContact OD1-OG1 3.02Å; T134-F136 VanDerWaalsContact C-N 3.34Å
135	A	68.6	Low	70.3	Confident	36 Å²	36	65.9 Å²	65.9	30%	0.298	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.8	174.3	0	0	0	0	0	114.3	I133 L154 L158	I133-A135 PolarHBondContact O-N 2.91Å; I133-A135 VanDerWaalsContact O-N 3.1Å; A135-L154 HydrophobicContact CB-CD1 4.12Å; A135-L158 HydrophobicContact CB-CD2 4.24Å
136	F	64.3	Low	68.3	Low	78 Å²	78	74.4 Å²	74.4	34%	0.342	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-11.2	179.6	-56.9	-79.2	0	0	0	113.3	I133 T134	I133-F136 HydrophobicContact CB-CD2 4.4Å; I133-F136 PolarHBondContact O-N 3.46Å; T134-F136 VanDerWaalsContact C-N 3.34Å
137	K	67.3	Low	66.2	Low	67 Å²	67	76.9 Å²	76.9	29%	0.291	43%	0.428	S	S	.	.	S	Bend	trans	-97.4	158.3	165.2	-65.2	-72	-176.1	168.9	0	108.7	E96 W108 I133	E96-K137 WeakPolarHBondContact OE1-CE 3.45Å; E96-K137 IonicContact OE1-NZ 3.22Å; E96-K137 WeakPolarHBondContact OE2-CE 3.47Å; E96-K137 IonicContact OE2-NZ 3.43Å; E96-K137 PolarHBondContact OE2-NZ 3.44Å; W108-K137 HydrophobicContact CB-CB 4.44Å; W108-K137 HydrophobicContact CB-CG 4.1Å; W108-K137 HydrophobicContact CD2-CB 4.35Å; W108-K137 HydrophobicContact CD2-CG 3.96Å; W108-K137 HydrophobicContact CG-CB 3.9Å; W108-K137 HydrophobicContact CG-CG 3.77Å; I133-K137 HydrophobicContact CD1-CG 4.32Å; I133-K137 PolarHBondContact O-N 3.2Å
138	Q	57	Low	64.1	Low	173 Å²	173	87.5 Å²	87.5	81%	0.808	47%	0.467	S	S	*	.			trans	-64.5	141.5	-179.4	-68.5	179.4	-7.4	0	0	110.7	I140	Q138-I140 PolarHBondContact O-N 3.11Å
139	P	53.8	Low	62.5	Low	122 Å²	122	89 Å²	89	79%	0.792	48%	0.483	S	S	*	.			trans	-74.3	99.4	-176.5	29.3	-34.5	0	0	0	111.3	E141	P139-E141 PolarHBondContact O-N 3.34Å
140	I	54.7	Low	60.5	Low	98 Å²	98	94.5 Å²	94.5	50%	0.503	51%	0.506	S	S	.	.			trans	-84.3	96	172.6	-55.4	169.3	0	0	0	108.5	L98 Q138	L98-I140 HydrophobicContact CD1-CD1 4.46Å; Q138-I140 PolarHBondContact O-N 3.11Å
141	E	54.1	Low	58.5	Low	104 Å²	104	101.4 Å²	101.4	49%	0.486	54%	0.537	S	S	.	.			trans	-147.3	144.2	164.9	-81.7	-167.4	155.6	0	0	110.5	P139 R153	P139-E141 PolarHBondContact O-N 3.34Å; E141-R153 VanDerWaalsContact CD-NH2 3.32Å; E141-R153 IonicContact OE1-CZ 2.72Å; E141-R153 IonicContact OE1-NH1 3.64Å; E141-R153 PolarHBondContact OE1-NH1 2.95Å; E141-R153 IonicContact OE1-NH2 2.82Å; E141-R153 PolarHBondContact OE1-NH2 3.32Å; E141-R153 IonicContact OE2-CZ 3.82Å; E141-R153 IonicContact OE2-NH1 3.6Å; E141-R153 PolarHBondContact OE2-NH1 3.22Å; E141-R153 IonicContact OE2-NH2 3.02Å; E141-R153 PolarHBondContact OE2-NH2 3.19Å
142	D	44	Very low	57	Low	149 Å²	149	101.9 Å²	101.9	80%	0.797	54%	0.542	S	S	*	.			trans	-61.8	166.6	178.3	-61.7	-69.1	0	0	0	114.1	S144	D142-S144 PolarHBondContact O-N 3.07Å
143	D	44	Very low	55.4	Low	174 Å²	174	106 Å²	106	93%	0.93	55%	0.554	S	S	*	*	S	Bend	trans	-59.2	3.4	-165.9	-87.9	-47.4	0	0	0	118.2	C145	D143-C145 PolarHBondContact O-N 2.98Å
144	S	49.8	Very low	53.5	Low	111 Å²	111	108.7 Å²	108.7	78%	0.776	57%	0.568	S	S	*	*			trans	-91.1	33	-165.4	67.7	0	0	0	0	117.1	D142	D142-S144 PolarHBondContact O-N 3.07Å
145	C	43.9	Very low	51.8	Low	90 Å²	90	109.5 Å²	109.5	61%	0.608	57%	0.573	S	S	*	*			trans	-161.8	140.1	160	-111.6	0	0	0	0	116.9	D143 K150	D143-C145 PolarHBondContact O-N 2.98Å; C145-K150 WeakPolarHBondContact O-CE 3.3Å
146	K	51.1	Low	50.9	Low	195 Å²	195	116.2 Å²	116.2	85%	0.848	59%	0.591	S	S	*	*			trans	-78.4	158	177.2	-67.8	-176.5	178.4	179.6	0	113	W148 G149	K146-W148 VanDerWaalsContact C-N 3.34Å; K146-W148 PolarHBondContact O-N 2.98Å; K146-G149 PolarHBondContact O-N 3.15Å
147	G	47.4	Very low	49.9	Very low	52 Å²	52	114.8 Å²	114.8	54%	0.536	59%	0.594	S	S	.	*	H	α-helix	trans	-54	-28.6	-157.2	0	0	0	0	0	118.9	G149 K150 F151	G147-G149 VanDerWaalsContact C-N 3.32Å; G147-G149 PolarHBondContact O-N 2.93Å; G147-K150 WeakPolarHBondContact O-CB 3.33Å; G147-K150 PolarHBondContact O-N 3.31Å; G147-F151 PolarHBondContact O-N 2.94Å
148	W	48.5	Very low	48.6	Very low	233 Å²	233	114.4 Å²	114.4	88%	0.883	59%	0.594	S	S	*	*	H	α-helix	trans	-64.4	-36.1	-179.2	-156.2	-98.4	0	0	0	112.6	K146 K150 F151 A152	K146-W148 VanDerWaalsContact C-N 3.34Å; K146-W148 PolarHBondContact O-N 2.98Å; W148-K150 VanDerWaalsContact C-N 3.28Å; W148-K150 PolarHBondContact O-N 2.77Å; W148-F151 PolarHBondContact O-N 3.46Å; W148-A152 WeakPolarHBondContact O-CB 3.36Å; W148-A152 PolarHBondContact O-N 2.98Å
149	G	56.9	Low	48	Very low	33 Å²	33	110.6 Å²	110.6	34%	0.34	58%	0.583	S	S	.	*	H	α-helix	trans	-64	-33.7	173.3	0	0	0	0	0	112.7	K146 G147 R153	K146-G149 PolarHBondContact O-N 3.15Å; G147-G149 VanDerWaalsContact C-N 3.32Å; G147-G149 PolarHBondContact O-N 2.93Å; G149-R153 WeakPolarHBondContact O-CB 3.38Å; G149-R153 WeakPolarHBondContact O-CG 3.38Å; G149-R153 PolarHBondContact O-N 2.83Å
150	K	48.3	Very low	47.5	Very low	126 Å²	126	110 Å²	110	55%	0.548	58%	0.582	S	S	.	*	H	α-helix	trans	-66	-47.9	176.9	-54.2	-166.8	177.9	-166	0	110.4	C145 G147 W148 R153 L154	C145-K150 WeakPolarHBondContact O-CE 3.3Å; G147-K150 WeakPolarHBondContact O-CB 3.33Å; G147-K150 PolarHBondContact O-N 3.31Å; W148-K150 VanDerWaalsContact C-N 3.28Å; W148-K150 PolarHBondContact O-N 2.77Å; K150-R153 PolarHBondContact O-N 3.42Å; K150-L154 VanDerWaalsContact O-CB 3.32Å; K150-L154 WeakPolarHBondContact O-CB 3.11Å; K150-L154 PolarHBondContact O-N 2.83Å
151	F	46	Very low	46.9	Very low	148 Å²	148	107.2 Å²	107.2	65%	0.649	57%	0.571	S	S	*	*	H	α-helix	trans	-66.4	-39.2	178	-157	-90.7	0	0	0	112.8	G147 W148 L154 T155	G147-F151 PolarHBondContact O-N 2.94Å; W148-F151 PolarHBondContact O-N 3.46Å; F151-L154 PolarHBondContact O-N 2.86Å; F151-T155 WeakPolarHBondContact O-CB 3.26Å; F151-T155 PolarHBondContact O-N 2.87Å; F151-T155 PolarHBondContact O-OG1 3.14Å
152	A	52.6	Low	46.3	Very low	38 Å²	38	111 Å²	111	31%	0.314	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-39.8	177.5	0	0	0	0	0	113.1	W148 R156	W148-A152 WeakPolarHBondContact O-CB 3.36Å; W148-A152 PolarHBondContact O-N 2.98Å; A152-R156 WeakPolarHBondContact O-CB 3.46Å; A152-R156 PolarHBondContact O-N 3Å
153	R	50.9	Low	46.1	Very low	133 Å²	133	107.1 Å²	107.1	50%	0.502	58%	0.576	S	S	.	*	H	α-helix	trans	-68.1	-43.1	172.5	-79.5	178.5	60.7	-179.8	-5.2	112	E141 G149 K150 T155 R156 A157	E141-R153 VanDerWaalsContact CD-NH2 3.32Å; E141-R153 IonicContact OE1-CZ 2.72Å; E141-R153 IonicContact OE1-NH1 3.64Å; E141-R153 PolarHBondContact OE1-NH1 2.95Å; E141-R153 IonicContact OE1-NH2 2.82Å; E141-R153 PolarHBondContact OE1-NH2 3.32Å; E141-R153 IonicContact OE2-CZ 3.82Å; E141-R153 IonicContact OE2-NH1 3.6Å; E141-R153 PolarHBondContact OE2-NH1 3.22Å; E141-R153 IonicContact OE2-NH2 3.02Å; E141-R153 PolarHBondContact OE2-NH2 3.19Å; G149-R153 WeakPolarHBondContact O-CB 3.38Å; G149-R153 WeakPolarHBondContact O-CG 3.38Å; G149-R153 PolarHBondContact O-N 2.83Å; K150-R153 PolarHBondContact O-N 3.42Å; R153-T155 VanDerWaalsContact C-N 3.34Å; R153-T155 PolarHBondContact O-N 2.88Å; R153-R156 PolarHBondContact O-N 3.47Å; R153-A157 PolarHBondContact O-N 3.46Å
154	L	42.8	Very low	46	Very low	77 Å²	77	104.1 Å²	104.1	40%	0.403	56%	0.564	S	S	.	*	H	α-helix	trans	-57.7	-48.5	175.8	-165.3	80	0	0	0	110.6	A135 K150 F151 R156 A157 L158	A135-L154 HydrophobicContact CB-CD1 4.12Å; K150-L154 VanDerWaalsContact O-CB 3.32Å; K150-L154 WeakPolarHBondContact O-CB 3.11Å; K150-L154 PolarHBondContact O-N 2.83Å; F151-L154 PolarHBondContact O-N 2.86Å; L154-R156 PolarHBondContact O-N 3.23Å; L154-A157 PolarHBondContact O-N 3.34Å; L154-L158 HydrophobicContact CD2-CD1 4.28Å; L154-L158 HydrophobicContact CG-CD1 3.97Å; L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 WeakPolarHBondContact O-CD1 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 2.84Å
155	T	41.7	Very low	45.4	Very low	63 Å²	63	105.3 Å²	105.3	39%	0.387	56%	0.561	S	S	.	*	H	α-helix	trans	-60.1	-43.7	177.9	-56.6	0	0	0	0	111.7	F151 R153 L158 T159	F151-T155 WeakPolarHBondContact O-CB 3.26Å; F151-T155 PolarHBondContact O-N 2.87Å; F151-T155 PolarHBondContact O-OG1 3.14Å; R153-T155 VanDerWaalsContact C-N 3.34Å; R153-T155 PolarHBondContact O-N 2.88Å; T155-L158 PolarHBondContact O-N 3.2Å; T155-T159 PolarHBondContact O-N 2.8Å; T155-T159 PolarHBondContact O-OG1 3.16Å
156	R	49.5	Very low	45.4	Very low	177 Å²	177	104.9 Å²	104.9	67%	0.668	55%	0.55	S	S	*	.	H	α-helix	trans	-71.4	-28.9	-179.5	-163.5	179.5	-63.4	120.5	-0.7	113.7	A152 R153 L154 T159	A152-R156 WeakPolarHBondContact O-CB 3.46Å; A152-R156 PolarHBondContact O-N 3Å; R153-R156 PolarHBondContact O-N 3.47Å; L154-R156 PolarHBondContact O-N 3.23Å; R156-T159 VanDerWaalsContact C-OG1 3.32Å; R156-T159 WeakPolarHBondContact CA-OG1 3.33Å; R156-T159 PolarHBondContact O-OG1 2.75Å
157	A	43.8	Very low	44.8	Very low	48 Å²	48	104.8 Å²	104.8	40%	0.397	55%	0.552	S	S	.	*	H	α-helix	trans	-72.3	-44.3	169.2	0	0	0	0	0	111.1	R153 L154 T159 S160	R153-A157 PolarHBondContact O-N 3.46Å; L154-A157 PolarHBondContact O-N 3.34Å; A157-T159 VanDerWaalsContact C-N 3.27Å; A157-T159 PolarHBondContact O-N 3.29Å; A157-S160 PolarHBondContact O-N 3.11Å
158	L	38.8	Very low	44.3	Very low	59 Å²	59	110.7 Å²	110.7	31%	0.309	57%	0.571	S	S	.	*	H	α-helix	trans	-60	-34.4	177.9	-73.3	166.5	0	0	0	112.6	A135 L154 T155 S160 S161 R162	A135-L158 HydrophobicContact CB-CD2 4.24Å; L154-L158 HydrophobicContact CD2-CD1 4.28Å; L154-L158 HydrophobicContact CG-CD1 3.97Å; L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 WeakPolarHBondContact O-CD1 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 2.84Å; T155-L158 PolarHBondContact O-N 3.2Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.34Å; L158-S161 PolarHBondContact O-N 3.37Å; L158-S161 PolarHBondContact O-OG 3.04Å; L158-R162 PolarHBondContact O-N 2.83Å
159	T	44.6	Very low	43.6	Very low	92 Å²	92	102.7 Å²	102.7	56%	0.564	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-61.9	-29.2	-178	37.4	0	0	0	0	115.3	T155 R156 A157 S161	T155-T159 PolarHBondContact O-N 2.8Å; T155-T159 PolarHBondContact O-OG1 3.16Å; R156-T159 VanDerWaalsContact C-OG1 3.32Å; R156-T159 WeakPolarHBondContact CA-OG1 3.33Å; R156-T159 PolarHBondContact O-OG1 2.75Å; A157-T159 VanDerWaalsContact C-N 3.27Å; A157-T159 PolarHBondContact O-N 3.29Å; T159-S161 PolarHBondContact O-N 3.02Å
160	S	43.8	Very low	42.7	Very low	110 Å²	110	106.9 Å²	106.9	77%	0.769	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-75.4	-5.5	175.2	93.4	0	0	0	0	113.1	A157 L158	A157-S160 PolarHBondContact O-N 3.11Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.34Å
161	S	42.3	Very low	42.1	Very low	39 Å²	39	106 Å²	106	27%	0.273	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-122.1	3.3	-166.1	88.9	0	0	0	0	113.3	L158 T159 R183	L158-S161 PolarHBondContact O-N 3.37Å; L158-S161 PolarHBondContact O-OG 3.04Å; T159-S161 PolarHBondContact O-N 3.02Å; S161-R183 PolarHBondContact O-NH2 2.98Å; S161-R183 PolarHBondContact OG-NH2 3.47Å
162	R	41.8	Very low	41.7	Very low	184 Å²	184	104.8 Å²	104.8	69%	0.694	59%	0.59	S	S	*	*	S	Bend	trans	-125.7	11.2	-172.6	-148.8	178.8	-173.3	-174.1	1.3	113	L158	L158-R162 PolarHBondContact O-N 2.83Å
163	G	39.1	Very low	41.1	Very low	68 Å²	68	112.7 Å²	112.7	70%	0.701	62%	0.62	S	S	*	*	S	Bend	trans	-69.3	-45.8	-162.2	0	0	0	0	0	115.9
164	V	41.6	Very low	40.5	Very low	111 Å²	111	115.3 Å²	115.3	67%	0.673	64%	0.635	S	S	*	*	S	Bend	trans	-132.3	-45.8	-168.4	-172.1	0	0	0	0	113.5	Q166	V164-Q166 PolarHBondContact O-N 2.7Å
165	L	38.4	Very low	40.3	Very low	135 Å²	135	112.8 Å²	112.8	71%	0.707	63%	0.628	S	S	*	*	S	Bend	trans	-82.9	1.4	-161.8	-121.2	161.9	0	0	0	116.5	E186	L165-E186 WeakPolarHBondContact CD1-OE1 3.42Å
166	Q	44.3	Very low	40.4	Very low	82 Å²	82	115.8 Å²	115.8	38%	0.383	64%	0.638	S	S	.	*			trans	-139.6	53.8	-169	-153.4	171.8	14.5	0	0	115.3	V164	V164-Q166 PolarHBondContact O-N 2.7Å
167	Q	38.1	Very low	40	Very low	193 Å²	193	113 Å²	113	90%	0.902	64%	0.636	S	S	*	*			trans	-85.3	-8.3	173	-85.9	-171.4	-31.3	0	0	115.5
168	L	36.4	Very low	40	Very low	175 Å²	175	115.5 Å²	115.5	92%	0.916	65%	0.646	S	S	*	*	S	Bend	trans	-101.1	1.5	-166.8	-87	167.3	0	0	0	117.5
169	A	34.4	Very low	40.3	Very low	65 Å²	65	116.4 Å²	116.4	54%	0.537	65%	0.649	S	S	.	*			trans	-154	111.1	177.7	0	0	0	0	0	115.2
170	P	37.5	Very low	40.5	Very low	121 Å²	121	115.9 Å²	115.9	79%	0.786	64%	0.638	S	S	*	*			trans	-128.8	40.8	166.4	40.4	-26.7	0	0	0	113.5
171	S	36.6	Very low	40.6	Very low	107 Å²	107	116.7 Å²	116.7	75%	0.748	63%	0.63	S	S	*	*			trans	-142.1	22.9	-167.5	56.2	0	0	0	0	117.7
172	V	37.3	Very low	41	Very low	124 Å²	124	118.2 Å²	118.2	75%	0.752	64%	0.64	S	S	*	*			trans	-130.9	111.3	175.6	-175.4	0	0	0	0	112.6	K174	V172-K174 VanDerWaalsContact C-N 3.33Å; V172-K174 PolarHBondContact O-N 2.65Å
173	Q	39.1	Very low	41.4	Very low	204 Å²	204	112.9 Å²	112.9	95%	0.953	62%	0.62	S	S	*	*	S	Bend	trans	-79.4	72	175.5	-74.7	-172.7	-22.3	0	0	112.7
174	K	37.7	Very low	41.8	Very low	187 Å²	187	112.4 Å²	112.4	81%	0.813	60%	0.601	S	S	*	*			trans	-164.3	49.7	158.8	-112.3	169.7	-174.2	-179.9	0	110.7	V172 E176	V172-K174 VanDerWaalsContact C-N 3.33Å; V172-K174 PolarHBondContact O-N 2.65Å; K174-E176 PolarHBondContact O-N 3.26Å
175	G	39.2	Very low	42.3	Very low	25 Å²	25	109.3 Å²	109.3	26%	0.258	59%	0.588	S	S	.	*	H	α-helix	trans	-71.3	-24.5	-161.8	0	0	0	0	0	117	N177 V178 H179	G175-N177 PolarHBondContact O-N 3.32Å; G175-V178 PolarHBondContact O-N 2.77Å; G175-H179 WeakPolarHBondContact O-CB 3.41Å; G175-H179 PolarHBondContact O-N 3.28Å; G175-H179 PolarHBondContact O-ND1 3.45Å
176	E	44.1	Very low	43	Very low	126 Å²	126	106.8 Å²	106.8	59%	0.589	57%	0.572	S	S	*	*	H	α-helix	trans	-63.7	-38.2	-157.6	-136.5	-162.5	122.3	0	0	115	K174 K180	K174-E176 PolarHBondContact O-N 3.26Å; E176-K180 VanDerWaalsContact O-CD 3.27Å; E176-K180 WeakPolarHBondContact O-CD 3.49Å; E176-K180 WeakPolarHBondContact O-CE 3.37Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.48Å; E176-K180 IonicContact OE1-NZ 3.54Å; E176-K180 PolarHBondContact OE1-NZ 3Å
177	N	40.3	Very low	43.3	Very low	117 Å²	117	103.4 Å²	103.4	63%	0.626	56%	0.557	S	S	*	*	H	α-helix	trans	-79.3	-43.1	175.8	-70	-7.3	0	0	0	111.6	G175 H179 K180 H181	G175-N177 PolarHBondContact O-N 3.32Å; N177-H179 VanDerWaalsContact C-N 3.35Å; N177-H179 PolarHBondContact O-N 3.27Å; N177-K180 PolarHBondContact O-N 2.81Å; N177-H181 PolarHBondContact O-CD2 3.34Å; N177-H181 VanDerWaalsContact O-CD2 3.32Å; N177-H181 PolarHBondContact O-N 2.99Å
178	V	44.1	Very low	43.8	Very low	101 Å²	101	98.6 Å²	98.6	61%	0.612	54%	0.537	S	S	*	.	H	α-helix	trans	-63.8	-39.6	-176.5	-175.3	0	0	0	0	111.7	G175 H181 S182	G175-V178 PolarHBondContact O-N 2.77Å; V178-H181 PolarHBondContact O-N 3.45Å; V178-S182 PolarHBondContact O-N 3.41Å
179	H	46.7	Very low	44.4	Very low	79 Å²	79	95.8 Å²	95.8	37%	0.366	52%	0.519	S	S	.	.	H	α-helix	trans	-73.7	-35.2	-178.5	-70.6	54.5	0	0	0	112.2	G175 N177 S182	G175-H179 WeakPolarHBondContact O-CB 3.41Å; G175-H179 PolarHBondContact O-N 3.28Å; G175-H179 PolarHBondContact O-ND1 3.45Å; N177-H179 VanDerWaalsContact C-N 3.35Å; N177-H179 PolarHBondContact O-N 3.27Å; H179-S182 PolarHBondContact O-N 3.05Å
180	K	48.4	Very low	45.3	Very low	80 Å²	80	94.6 Å²	94.6	35%	0.348	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-51	170.5	-70.3	170.7	-166.1	168.6	0	110	E176 N177 S182 R183 L184	E176-K180 VanDerWaalsContact O-CD 3.27Å; E176-K180 WeakPolarHBondContact O-CD 3.49Å; E176-K180 WeakPolarHBondContact O-CE 3.37Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.48Å; E176-K180 IonicContact OE1-NZ 3.54Å; E176-K180 PolarHBondContact OE1-NZ 3Å; N177-K180 PolarHBondContact O-N 2.81Å; K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.1Å; K180-R183 PolarHBondContact O-N 3.48Å; K180-L184 WeakPolarHBondContact O-CB 3.25Å; K180-L184 PolarHBondContact O-N 2.99Å
181	H	44.8	Very low	45.6	Very low	127 Å²	127	89.9 Å²	89.9	59%	0.588	48%	0.477	S	S	*	.	H	α-helix	trans	-59.6	-31.7	178.4	-86.4	-74.3	0	0	0	114.3	N177 V178 L184 A185	N177-H181 PolarHBondContact O-CD2 3.34Å; N177-H181 VanDerWaalsContact O-CD2 3.32Å; N177-H181 PolarHBondContact O-N 2.99Å; V178-H181 PolarHBondContact O-N 3.45Å; H181-L184 PolarHBondContact O-N 3.49Å; H181-A185 WeakPolarHBondContact O-CB 3.14Å; H181-A185 PolarHBondContact O-N 3.23Å
182	S	51.4	Low	46	Very low	71 Å²	71	88.5 Å²	88.5	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-47.6	178.2	-167.1	0	0	0	0	112.8	V178 H179 K180 A185 E186	V178-S182 PolarHBondContact O-N 3.41Å; H179-S182 PolarHBondContact O-N 3.05Å; K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.1Å; S182-A185 PolarHBondContact O-N 2.66Å; S182-E186 PolarHBondContact O-N 2.67Å
183	R	49.8	Very low	46.5	Very low	73 Å²	73	87.3 Å²	87.3	28%	0.275	46%	0.456	S	S	.	.	H	α-helix	trans	-75.6	-31.1	175.2	-67.9	-170.8	-171.6	160.7	7.9	112.7	S161 K180 A185 V187	S161-R183 PolarHBondContact O-NH2 2.98Å; S161-R183 PolarHBondContact OG-NH2 3.47Å; K180-R183 PolarHBondContact O-N 3.48Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.16Å; R183-V187 WeakPolarHBondContact O-CB 3.49Å; R183-V187 WeakPolarHBondContact O-CG2 3.47Å; R183-V187 PolarHBondContact O-N 3.16Å; R183-V187 VanDerWaalsContact O-N 3.11Å
184	L	48.2	Very low	47.2	Very low	58 Å²	58	84 Å²	84	30%	0.304	44%	0.444	S	S	.	.	H	α-helix	trans	-60.1	-42.2	168.9	-122.1	75.1	0	0	0	110.5	F110 K180 H181 V187 L188	F110-L184 HydrophobicContact CE1-CD1 4.05Å; F110-L184 HydrophobicContact CE2-CD1 3.96Å; F110-L184 HydrophobicContact CZ-CD1 3.56Å; F110-L184 HydrophobicContact CZ-CG 4.35Å; K180-L184 WeakPolarHBondContact O-CB 3.25Å; K180-L184 PolarHBondContact O-N 2.99Å; H181-L184 PolarHBondContact O-N 3.49Å; L184-V187 CarbonylContact O-C 3.58Å; L184-V187 PolarHBondContact O-N 3.32Å; L184-L188 HydrophobicContact CB-CD1 4.25Å; L184-L188 HydrophobicContact CD2-CD1 4.29Å; L184-L188 HydrophobicContact CG-CD1 4.27Å; L184-L188 WeakPolarHBondContact O-CA 3.12Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CD1 3.47Å; L184-L188 WeakPolarHBondContact O-CG 3.39Å; L184-L188 PolarHBondContact O-N 2.95Å
185	A	50.7	Low	48.4	Very low	46 Å²	46	76.6 Å²	76.6	38%	0.38	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-46.4	180	0	0	0	0	0	111.8	H181 S182 R183 V187 L188 Q189	H181-A185 WeakPolarHBondContact O-CB 3.14Å; H181-A185 PolarHBondContact O-N 3.23Å; S182-A185 PolarHBondContact O-N 2.66Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.16Å; A185-V187 VanDerWaalsContact C-N 3.34Å; A185-V187 PolarHBondContact O-N 2.65Å; A185-L188 PolarHBondContact O-N 3.5Å; A185-Q189 WeakPolarHBondContact O-CB 3.44Å; A185-Q189 VanDerWaalsContact O-CG 3.31Å; A185-Q189 WeakPolarHBondContact O-CG 3.39Å; A185-Q189 PolarHBondContact O-N 3.01Å
186	E	53.5	Low	49.7	Very low	81 Å²	81	76.5 Å²	76.5	38%	0.379	41%	0.408	S	S	.	.	H	α-helix	trans	-58	-44.5	175	-173	177.8	-172.3	0	0	111.9	L165 S182 L190	L165-E186 WeakPolarHBondContact CD1-OE1 3.42Å; S182-E186 PolarHBondContact O-N 2.67Å; E186-L190 PolarHBondContact O-N 3.35Å
187	V	50.5	Low	50.8	Low	12 Å²	12	74.8 Å²	74.8	7%	0.073	40%	0.4	C	S	.	.	H	α-helix	trans	-77.4	-22.3	179.4	175.7	0	0	0	0	112.9	F110 K112 R183 L184 A185 L190	F110-V187 HydrophobicContact CE1-CG1 4.12Å; K112-V187 HydrophobicContact CB-CG1 4.09Å; K112-V187 HydrophobicContact CD-CG1 3.56Å; K112-V187 HydrophobicContact CG-CG1 4.46Å; K112-V187 PolarHBondContact NZ-O 3.16Å; R183-V187 WeakPolarHBondContact O-CB 3.49Å; R183-V187 WeakPolarHBondContact O-CG2 3.47Å; R183-V187 PolarHBondContact O-N 3.16Å; R183-V187 VanDerWaalsContact O-N 3.11Å; L184-V187 CarbonylContact O-C 3.58Å; L184-V187 PolarHBondContact O-N 3.32Å; A185-V187 VanDerWaalsContact C-N 3.34Å; A185-V187 PolarHBondContact O-N 2.65Å; V187-L190 WeakPolarHBondContact O-CB 3.42Å
188	L	48.1	Very low	52.3	Low	92 Å²	92	74 Å²	74	48%	0.482	39%	0.389	S	S	.	.	H	α-helix	trans	-80.7	-37.2	172.2	-76.1	166.2	0	0	0	111.7	L184 A185 L190 G191 S192	L184-L188 HydrophobicContact CB-CD1 4.25Å; L184-L188 HydrophobicContact CD2-CD1 4.29Å; L184-L188 HydrophobicContact CG-CD1 4.27Å; L184-L188 WeakPolarHBondContact O-CA 3.12Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CD1 3.47Å; L184-L188 WeakPolarHBondContact O-CG 3.39Å; L184-L188 PolarHBondContact O-N 2.95Å; A185-L188 PolarHBondContact O-N 3.5Å; L188-L190 PolarHBondContact O-N 3.31Å; L188-G191 CarbonylContact O-C 3.57Å; L188-G191 VanDerWaalsContact O-CA 3.3Å; L188-G191 WeakPolarHBondContact O-CA 3.48Å; L188-G191 PolarHBondContact O-N 3.01Å; L188-S192 PolarHBondContact O-N 2.85Å
189	Q	50	Low	53.7	Low	116 Å²	116	72 Å²	72	54%	0.542	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-36.8	170.1	-78	177.9	-57	0	0	111.3	A185 G191 S192 D193	A185-Q189 WeakPolarHBondContact O-CB 3.44Å; A185-Q189 VanDerWaalsContact O-CG 3.31Å; A185-Q189 WeakPolarHBondContact O-CG 3.39Å; A185-Q189 PolarHBondContact O-N 3.01Å; Q189-G191 PolarHBondContact O-N 3.4Å; Q189-G191 VanDerWaalsContact O-N 3.07Å; Q189-S192 WeakPolarHBondContact CA-OG 3.18Å; Q189-S192 PolarHBondContact O-N 2.88Å; Q189-S192 PolarHBondContact O-OG 3.22Å; Q189-D193 PolarHBondContact O-N 2.79Å
190	L	52.9	Low	54.6	Low	40 Å²	40	74.5 Å²	74.5	21%	0.209	38%	0.384	C	S	.	.	H	α-helix	trans	-60	-16.4	170.4	-149.4	82.8	0	0	0	113.7	R24 T129 E186 V187 L188	R24-L190 HydrophobicContact CB-CD1 4.06Å; T129-L190 HydrophobicContact CG2-CD2 4.14Å; E186-L190 PolarHBondContact O-N 3.35Å; V187-L190 WeakPolarHBondContact O-CB 3.42Å; L188-L190 PolarHBondContact O-N 3.31Å
191	G	44.2	Very low	55.4	Low	21 Å²	21	73.4 Å²	73.4	22%	0.216	38%	0.38	C	S	.	.	H	α-helix	trans	-100.4	-31.9	173.6	0	0	0	0	0	115	L188 Q189	L188-G191 CarbonylContact O-C 3.57Å; L188-G191 VanDerWaalsContact O-CA 3.3Å; L188-G191 WeakPolarHBondContact O-CA 3.48Å; L188-G191 PolarHBondContact O-N 3.01Å; Q189-G191 PolarHBondContact O-N 3.4Å; Q189-G191 VanDerWaalsContact O-N 3.07Å
192	S	44.6	Very low	56.3	Low	78 Å²	78	70.4 Å²	70.4	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-78.3	-41.8	178.7	63	0	0	0	0	112.7	L188 Q189 I194	L188-S192 PolarHBondContact O-N 2.85Å; Q189-S192 WeakPolarHBondContact CA-OG 3.18Å; Q189-S192 PolarHBondContact O-N 2.88Å; Q189-S192 PolarHBondContact O-OG 3.22Å; S192-I194 PolarHBondContact O-N 3.37Å
193	D	47.3	Very low	57.1	Low	99 Å²	99	70.2 Å²	70.2	53%	0.529	37%	0.374	S	S	.	.	S	Bend	trans	-88.4	54.4	-168.9	-69.3	14.9	0	0	0	111.1	R24 Q189	R24-D193 PolarHBondContact NH1-O 3.35Å; Q189-D193 PolarHBondContact O-N 2.79Å
194	I	54.9	Low	57.9	Low	135 Å²	135	74.3 Å²	74.3	69%	0.692	39%	0.394	S	S	*	.			trans	52.8	96.5	172.3	-48.2	175.7	0	0	0	112.1	R24 S192	R24-I194 PolarHBondContact NH1-O 3.44Å; R24-I194 PolarHBondContact NH2-O 2.99Å; S192-I194 PolarHBondContact O-N 3.37Å
195	L	63.1	Low	59.3	Low	31 Å²	31	73.5 Å²	73.5	16%	0.162	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-51.1	130.9	166.3	-88	103	0	0	0	109.3	M92 A114 I116 L127 Q197	M92-L195 HydrophobicContact CE-CD1 3.55Å; A114-L195 HydrophobicContact CB-CD2 3.73Å; I116-L195 HydrophobicContact CG1-CD2 4.34Å; L127-L195 HydrophobicContact CD2-CD2 4.42Å; L195-Q197 PolarHBondContact O-N 3.38Å; L195-Q197 VanDerWaalsContact O-N 3.15Å
196	P	65.9	Low	60.7	Low	24 Å²	24	73.9 Å²	73.9	16%	0.156	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-63.3	121.2	178.2	26.1	-32.8	0	0	0	109.2	F17 N20 I21	F17-P196 HydrophobicContact CD2-CB 4.08Å; F17-P196 HydrophobicContact CD2-CG 3.98Å; F17-P196 WeakPolarHBondContact CD2-O 3.26Å; F17-P196 HydrophobicContact CE2-CG 4.15Å; F17-P196 VanDerWaalsContact CE2-O 3.3Å; F17-P196 WeakPolarHBondContact CE2-O 3.19Å; N20-P196 HydrophobicContact CB-CB 4.38Å; N20-P196 HydrophobicContact CB-CG 4.47Å; I21-P196 HydrophobicContact CG1-CG 3.93Å
197	Q	68.4	Low	61.8	Low	90 Å²	90	75.1 Å²	75.1	42%	0.421	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.3	147.3	170.5	-70.7	-179.6	-12	0	0	109.6	R117 L195 K199	R117-Q197 WeakPolarHBondContact O-CA 3.02Å; R117-Q197 WeakPolarHBondContact O-CB 3.35Å; L195-Q197 PolarHBondContact O-N 3.38Å; L195-Q197 VanDerWaalsContact O-N 3.15Å; Q197-K199 VanDerWaalsContact C-N 3.28Å; Q197-K199 HydrophobicContact CB-CB 4.23Å; Q197-K199 PolarHBondContact O-N 3.21Å
198	Y	71.3	Confident	63.5	Low	100 Å²	100	82.5 Å²	82.5	39%	0.392	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-78	82.5	173.1	-173.2	-95.4	0	0	0	108.8	N15 F17 R117 N118 V124 L125	N15-Y198 WeakPolarHBondContact ND2-CE2 3.5Å; F17-Y198 HydrophobicContact CB-CD2 4.43Å; F17-Y198 AromaticContact CD1-CD2 3.88Å; F17-Y198 HydrophobicContact CD1-CD2 3.88Å; F17-Y198 HydrophobicContact CD1-CE2 4.36Å; F17-Y198 HydrophobicContact CD2-CD2 4.49Å; F17-Y198 HydrophobicContact CE1-CD2 4.26Å; F17-Y198 HydrophobicContact CG-CD2 4.02Å; R117-Y198 PolarHBondContact O-N 2.84Å; N118-Y198 PolarHBondContact OD1-O 3.11Å; V124-Y198 HydrophobicContact CG2-CD1 4.43Å; V124-Y198 HydrophobicContact CG2-CG 4.4Å; L125-Y198 HydrophobicContact CD1-CD2 3.54Å; L125-Y198 HydrophobicContact CD1-CE2 3.96Å; L125-Y198 HydrophobicContact CD1-CG 3.98Å
199	K	72.3	Confident	65.5	Low	60 Å²	60	79.1 Å²	79.1	26%	0.261	42%	0.421	S	S	.	.			trans	-136.7	145.2	-167.2	178.1	167.9	176.9	82.9	0	111.4	E119 Q197 E201	E119-K199 HydrophobicContact CB-CD 4.23Å; E119-K199 HydrophobicContact CB-CG 4.34Å; E119-K199 HydrophobicContact CG-CB 4.05Å; E119-K199 HydrophobicContact CG-CD 4.15Å; E119-K199 HydrophobicContact CG-CG 3.71Å; E119-K199 WeakPolarHBondContact OE1-CG 3.35Å; E119-K199 IonicContact OE2-NZ 3.74Å; E119-K199 PolarHBondContact OE2-NZ 3.19Å; Q197-K199 VanDerWaalsContact C-N 3.28Å; Q197-K199 HydrophobicContact CB-CB 4.23Å; Q197-K199 PolarHBondContact O-N 3.21Å; K199-E201 HydrophobicContact CB-CG 3.98Å; K199-E201 HydrophobicContact CD-CG 3.61Å; K199-E201 HydrophobicContact CG-CG 3.48Å; K199-E201 VanDerWaalsContact CG-CG 3.48Å; K199-E201 PolarHBondContact O-N 3.38Å; K199-E201 VanDerWaalsContact O-N 3.16Å
200	Q	66.6	Low	67.5	Low	131 Å²	131	75.4 Å²	75.4	61%	0.612	40%	0.404	S	S	*	.			trans	-85.1	79.3	169.8	-67.4	-171.6	19.3	0	0	110	N15 E119	N15-Q200 HydrophobicContact CB-CG 4.34Å; E119-Q200 PolarHBondContact OE1-N 3.13Å; E119-Q200 VanDerWaalsContact OE1-N 3.16Å
201	E	64.6	Low	69.2	Low	57 Å²	57	75.8 Å²	75.8	27%	0.266	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-83.2	148.6	177.1	-58.9	-165.1	123.5	0	0	111.8	P13 Q14 K199 K204	P13-E201 WeakPolarHBondContact CA-O 3.18Å; Q14-E201 PolarHBondContact N-O 3.37Å; K199-E201 HydrophobicContact CB-CG 3.98Å; K199-E201 HydrophobicContact CD-CG 3.61Å; K199-E201 HydrophobicContact CG-CG 3.48Å; K199-E201 VanDerWaalsContact CG-CG 3.48Å; K199-E201 PolarHBondContact O-N 3.38Å; K199-E201 VanDerWaalsContact O-N 3.16Å; E201-K204 VanDerWaalsContact CD-CE 3.49Å; E201-K204 VanDerWaalsContact OE1-CE 3.26Å; E201-K204 WeakPolarHBondContact OE1-CE 3.44Å; E201-K204 IonicContact OE1-NZ 3.39Å; E201-K204 PolarHBondContact OE1-NZ 2.95Å; E201-K204 WeakPolarHBondContact OE2-CE 3.41Å; E201-K204 IonicContact OE2-NZ 2.67Å; E201-K204 PolarHBondContact OE2-NZ 3.28Å
202	A	64.9	Low	71.2	Confident	63 Å²	63	77.1 Å²	77.1	52%	0.521	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-62.9	138	154.4	0	0	0	0	0	108.3	K204	A202-K204 PolarHBondContact O-N 2.92Å; A202-K204 VanDerWaalsContact O-N 3.09Å
203	P	66.4	Low	73.1	Confident	68 Å²	68	78.2 Å²	78.2	44%	0.442	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-57.8	118.5	-177.3	22.8	-33.6	0	0	0	110.8	V11 T205	V11-P203 HydrophobicContact CG1-CG 3.43Å; V11-P203 VanDerWaalsContact CG1-CG 3.43Å; P203-T205 PolarHBondContact O-N 2.74Å
204	K	67.4	Low	75	Confident	159 Å²	159	75.8 Å²	75.8	69%	0.691	39%	0.39	S	S	*	.			trans	-67	103.8	-176.9	-75.2	170	171	156.1	0	110.5	E201 A202	E201-K204 VanDerWaalsContact CD-CE 3.49Å; E201-K204 VanDerWaalsContact OE1-CE 3.26Å; E201-K204 WeakPolarHBondContact OE1-CE 3.44Å; E201-K204 IonicContact OE1-NZ 3.39Å; E201-K204 PolarHBondContact OE1-NZ 2.95Å; E201-K204 WeakPolarHBondContact OE2-CE 3.41Å; E201-K204 IonicContact OE2-NZ 2.67Å; E201-K204 PolarHBondContact OE2-NZ 3.28Å; A202-K204 PolarHBondContact O-N 2.92Å; A202-K204 VanDerWaalsContact O-N 3.09Å
205	T	77.4	Confident	76.6	Confident	41 Å²	41	74.8 Å²	74.8	25%	0.252	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-62.6	144.3	161.4	48.7	0	0	0	0	109.5	P203 L211 T272	P203-T205 PolarHBondContact O-N 2.74Å; T205-L211 HydrophobicContact CG2-CD2 3.65Å; T205-L211 HydrophobicContact CG2-CG 4.26Å; T205-T272 HydrophobicContact CG2-CG2 4.17Å
206	P	80.8	Confident	78	Confident	53 Å²	53	78.4 Å²	78.4	34%	0.344	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-64	157.9	172.9	30.6	-35.9	0	0	0	110.4	I209	P206-I209 HydrophobicContact CG-CB 4.43Å; P206-I209 HydrophobicContact CG-CD1 3.52Å; P206-I209 HydrophobicContact CG-CG1 3.99Å; P206-I209 PolarHBondContact O-N 2.87Å
207	P	77	Confident	79.1	Confident	108 Å²	108	77.5 Å²	77.5	70%	0.701	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	150.7	176.1	25.7	-34.9	0	0	0	111.2	I209	P207-I209 VanDerWaalsContact C-N 3.29Å; P207-I209 PolarHBondContact O-N 2.69Å
208	H	85.7	Confident	80.1	Confident	167 Å²	167	75.7 Å²	75.7	77%	0.773	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	19.4	-174.8	-39.7	-79.2	0	0	0	115.7	H270	H208-H270 PolarHBondContact O-CD2 2.81Å; H208-H270 VanDerWaalsContact O-CD2 3.32Å
209	I	90.5	Very high	81	Confident	20 Å²	20	74.7 Å²	74.7	10%	0.103	40%	0.397	C	S	.	.			trans	-114.1	135.1	166.7	-62.7	-167.9	0	0	0	110.9	P206 P207 H270 T272 S282 P284 I287	P206-I209 HydrophobicContact CG-CB 4.43Å; P206-I209 HydrophobicContact CG-CD1 3.52Å; P206-I209 HydrophobicContact CG-CG1 3.99Å; P206-I209 PolarHBondContact O-N 2.87Å; P207-I209 VanDerWaalsContact C-N 3.29Å; P207-I209 PolarHBondContact O-N 2.69Å; I209-H270 CarbonylContact C-O 3.51Å; I209-H270 WeakPolarHBondContact CA-O 3.27Å; I209-T272 HydrophobicContact CG2-CG2 3.52Å; I209-S282 WeakPolarHBondContact CD1-O 3.39Å; I209-P284 HydrophobicContact CD1-CB 3.88Å; I209-P284 HydrophobicContact CD1-CG 4.18Å; I209-I287 HydrophobicContact CD1-CD1 3.99Å; I209-I287 HydrophobicContact CG2-CD1 4.27Å
210	I	91.1	Very high	82	Confident	39 Å²	39	73.7 Å²	73.7	20%	0.2	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-104	133	-176.6	-57.6	173.8	0	0	0	109.4	F216 K217 L267 H270 T271 T272	I210-F216 HydrophobicContact CD1-CE1 4.25Å; I210-K217 HydrophobicContact CG2-CB 4.12Å; I210-K217 HydrophobicContact CG2-CD 4.44Å; I210-L267 HydrophobicContact CD1-CD2 3.59Å; I210-H270 PolarHBondContact N-O 3.47Å; I210-T271 CarbonylContact O-C 3.55Å; I210-T271 WeakPolarHBondContact O-CA 3.27Å; I210-T272 PolarHBondContact O-N 3.35Å
211	L	88.7	Confident	83.1	Confident	47 Å²	47	68.3 Å²	68.3	25%	0.246	37%	0.368	C	S	.	.			trans	-73.5	131.6	175.5	-68.1	162.8	0	0	0	110.8	T205 Y213 C214 T272	T205-L211 HydrophobicContact CG2-CD2 3.65Å; T205-L211 HydrophobicContact CG2-CG 4.26Å; L211-Y213 HydrophobicContact CB-CD1 4.47Å; L211-Y213 HydrophobicContact CB-CE1 4.18Å; L211-Y213 HydrophobicContact CB-CE2 4.41Å; L211-Y213 HydrophobicContact CD1-CE2 4.16Å; L211-Y213 HydrophobicContact CD2-CE1 3.94Å; L211-Y213 HydrophobicContact CG-CE1 4.47Å; L211-Y213 PolarHBondContact O-N 2.87Å; L211-C214 HydrophobicContact CB-CB 4.21Å; L211-C214 WeakPolarHBondContact O-CB 3.36Å; L211-C214 PolarHBondContact O-N 3.3Å; L211-T272 HydrophobicContact CD2-CG2 4.3Å
212	H	86.5	Confident	84.2	Confident	49 Å²	49	71.7 Å²	71.7	23%	0.227	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.5	-179.4	61.8	-87.9	0	0	0	114.8	T271 T272 V274	H212-T271 HydrophobicContact CB-CG2 4.05Å; H212-T272 WeakPolarHBondContact CB-O 3.31Å; H212-T272 PolarHBondContact N-OG1 2.84Å; H212-T272 PolarHBondContact ND1-OG1 3.47Å; H212-V274 VanDerWaalsContact CE1-CG2 3.49Å; H212-V274 WeakPolarHBondContact CE1-CG2 3.28Å; H212-V274 WeakPolarHBondContact NE2-CG2 3.45Å
213	Y	84.8	Confident	85.5	Confident	101 Å²	101	72.2 Å²	72.2	40%	0.396	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.9	175.4	60.9	-96.9	0	0	0	113.5	V11 L211	V11-Y213 HydrophobicContact CB-CE1 4.11Å; V11-Y213 WeakPolarHBondContact CB-OH 3.33Å; V11-Y213 WeakPolarHBondContact CG1-OH 3.28Å; V11-Y213 HydrophobicContact CG2-CE1 3.67Å; L211-Y213 HydrophobicContact CB-CD1 4.47Å; L211-Y213 HydrophobicContact CB-CE1 4.18Å; L211-Y213 HydrophobicContact CB-CE2 4.41Å; L211-Y213 HydrophobicContact CD1-CE2 4.16Å; L211-Y213 HydrophobicContact CD2-CE1 3.94Å; L211-Y213 HydrophobicContact CG-CE1 4.47Å; L211-Y213 PolarHBondContact O-N 2.87Å
214	C	87	Confident	86.7	Confident	49 Å²	49	69.2 Å²	69.2	33%	0.331	35%	0.351	S	S	.	.			trans	-66.3	136.7	176.9	-176.1	0	0	0	0	110.6	L211 F216 K217 T218	L211-C214 HydrophobicContact CB-CB 4.21Å; L211-C214 WeakPolarHBondContact O-CB 3.36Å; L211-C214 PolarHBondContact O-N 3.3Å; C214-F216 PolarHBondContact O-N 3.48Å; C214-K217 HydrophobicContact CB-CB 4.27Å; C214-K217 WeakPolarHBondContact O-CA 3.27Å; C214-K217 WeakPolarHBondContact O-CB 2.96Å; C214-K217 PolarHBondContact O-N 3.3Å; C214-T218 PolarHBondContact O-N 3.44Å; C214-T218 PolarHBondContact O-OG1 2.86Å
215	V	88.6	Confident	87.8	Confident	114 Å²	114	63.5 Å²	63.5	69%	0.691	33%	0.328	S	S	*	.	H	α-helix	trans	-50.2	-44	177.5	-179	0	0	0	0	111.8	K217 T218 T219	V215-K217 VanDerWaalsContact C-N 3.34Å; V215-K217 PolarHBondContact O-N 2.98Å; V215-T218 PolarHBondContact O-N 2.86Å; V215-T219 PolarHBondContact O-N 3.09Å; V215-T219 PolarHBondContact O-OG1 2.98Å
216	F	92.3	Very high	88.4	Confident	107 Å²	107	66.9 Å²	66.9	47%	0.469	34%	0.344	S	S	.	.	H	α-helix	trans	-56.6	-45.1	174.4	169.8	-100.8	0	0	0	112.6	I210 C214 T219 W220	I210-F216 HydrophobicContact CD1-CE1 4.25Å; C214-F216 PolarHBondContact O-N 3.48Å; F216-T219 PolarHBondContact O-N 3.46Å; F216-W220 VanDerWaalsContact O-CB 3.31Å; F216-W220 WeakPolarHBondContact O-CB 3.24Å; F216-W220 PolarHBondContact O-N 3.37Å
217	K	89.4	Confident	88.9	Confident	5 Å²	5	65.7 Å²	65.7	2%	0.022	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-39.4	-179.6	-173.9	68.7	-158.7	69.5	0	111.3	I210 C214 V215 W220 D221 T271	I210-K217 HydrophobicContact CG2-CB 4.12Å; I210-K217 HydrophobicContact CG2-CD 4.44Å; C214-K217 HydrophobicContact CB-CB 4.27Å; C214-K217 WeakPolarHBondContact O-CA 3.27Å; C214-K217 WeakPolarHBondContact O-CB 2.96Å; C214-K217 PolarHBondContact O-N 3.3Å; V215-K217 VanDerWaalsContact C-N 3.34Å; V215-K217 PolarHBondContact O-N 2.98Å; K217-W220 PolarHBondContact O-N 3.29Å; K217-D221 IonicContact NZ-OD1 2.83Å; K217-D221 PolarHBondContact NZ-OD1 3.25Å; K217-D221 IonicContact NZ-OD2 3.98Å; K217-D221 PolarHBondContact NZ-OD2 3.29Å; K217-D221 PolarHBondContact O-N 2.9Å; K217-D221 VanDerWaalsContact O-OD2 3.05Å; K217-T271 HydrophobicContact CD-CG2 3.94Å; K217-T271 HydrophobicContact CG-CG2 4.15Å
218	T	88.1	Confident	89.6	Confident	52 Å²	52	60.7 Å²	60.7	32%	0.319	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-47.1	174.8	-52.8	0	0	0	0	111.7	C214 V215 W220 D221 W222	C214-T218 PolarHBondContact O-N 3.44Å; C214-T218 PolarHBondContact O-OG1 2.86Å; V215-T218 PolarHBondContact O-N 2.86Å; T218-W220 VanDerWaalsContact C-N 3.32Å; T218-W220 PolarHBondContact O-N 2.92Å; T218-D221 PolarHBondContact O-N 3.2Å; T218-W222 VanDerWaalsContact O-CD1 3.27Å; T218-W222 PolarHBondContact O-N 3.08Å; T218-W222 VanDerWaalsContact O-N 3.11Å
219	T	90.7	Very high	89.9	Confident	78 Å²	78	56.8 Å²	56.8	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-40.1	175.2	-59	0	0	0	0	111.5	V215 F216 W222 I223	V215-T219 PolarHBondContact O-N 3.09Å; V215-T219 PolarHBondContact O-OG1 2.98Å; F216-T219 PolarHBondContact O-N 3.46Å; T219-W222 PolarHBondContact O-N 3.18Å; T219-I223 HydrophobicContact CG2-CD1 4.32Å; T219-I223 WeakPolarHBondContact O-CG1 3.47Å; T219-I223 PolarHBondContact O-N 2.79Å
220	W	93	Very high	89.9	Confident	39 Å²	39	58.5 Å²	58.5	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-41.8	174.1	-176.8	-90.3	0	0	0	112.3	F216 K217 T218 W222 I223 I224 I260 V263 D264 L267	F216-W220 VanDerWaalsContact O-CB 3.31Å; F216-W220 WeakPolarHBondContact O-CB 3.24Å; F216-W220 PolarHBondContact O-N 3.37Å; K217-W220 PolarHBondContact O-N 3.29Å; T218-W220 VanDerWaalsContact C-N 3.32Å; T218-W220 PolarHBondContact O-N 2.92Å; W220-W222 VanDerWaalsContact C-N 3.29Å; W220-W222 PolarHBondContact O-N 3.23Å; W220-I223 PolarHBondContact O-N 3.45Å; W220-I224 HydrophobicContact CG-CG1 4.49Å; W220-I224 HydrophobicContact CZ2-CD1 4.11Å; W220-I224 WeakPolarHBondContact O-CG1 3.42Å; W220-I224 PolarHBondContact O-N 3.06Å; W220-I260 HydrophobicContact CH2-CG2 3.88Å; W220-I260 HydrophobicContact CZ2-CG2 4.02Å; W220-V263 HydrophobicContact CH2-CB 4.31Å; W220-V263 HydrophobicContact CH2-CG1 3.76Å; W220-V263 HydrophobicContact CZ2-CB 4.31Å; W220-V263 HydrophobicContact CZ2-CG1 3.86Å; W220-D264 HydrophobicContact CZ2-CB 4.29Å; W220-D264 PolarHBondContact NE1-OD1 3.5Å; W220-L267 HydrophobicContact CD2-CD1 3.84Å; W220-L267 VanDerWaalsContact CE2-CD1 3.42Å; W220-L267 HydrophobicContact CE3-CD1 4.42Å; W220-L267 HydrophobicContact CG-CD1 4.28Å; W220-L267 HydrophobicContact CH2-CD1 4.27Å; W220-L267 HydrophobicContact CZ2-CD1 3.67Å
221	D	89.5	Confident	89.9	Confident	19 Å²	19	56.9 Å²	56.9	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-35	174.4	-76.5	-51.9	0	0	0	112.8	K217 T218 L225 K367	K217-D221 IonicContact NZ-OD1 2.83Å; K217-D221 PolarHBondContact NZ-OD1 3.25Å; K217-D221 IonicContact NZ-OD2 3.98Å; K217-D221 PolarHBondContact NZ-OD2 3.29Å; K217-D221 PolarHBondContact O-N 2.9Å; K217-D221 VanDerWaalsContact O-OD2 3.05Å; T218-D221 PolarHBondContact O-N 3.2Å; D221-L225 WeakPolarHBondContact O-CB 3.14Å; D221-L225 PolarHBondContact O-N 2.87Å; D221-K367 HydrophobicContact CB-CD 4.18Å; D221-K367 WeakPolarHBondContact OD1-CE 3.49Å; D221-K367 IonicContact OD1-NZ 2.73Å; D221-K367 PolarHBondContact OD1-NZ 3.34Å; D221-K367 WeakPolarHBondContact OD2-CE 3.39Å; D221-K367 IonicContact OD2-NZ 2.71Å; D221-K367 PolarHBondContact OD2-NZ 3.14Å
222	W	89.4	Confident	90.1	Very high	127 Å²	127	54.7 Å²	54.7	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-67.4	-41.7	172.4	-81.6	107.2	0	0	0	112.8	T218 T219 W220 L225 I226 Y371	T218-W222 VanDerWaalsContact O-CD1 3.27Å; T218-W222 PolarHBondContact O-N 3.08Å; T218-W222 VanDerWaalsContact O-N 3.11Å; T219-W222 PolarHBondContact O-N 3.18Å; W220-W222 VanDerWaalsContact C-N 3.29Å; W220-W222 PolarHBondContact O-N 3.23Å; W222-L225 HydrophobicContact CE3-CD2 3.93Å; W222-L225 HydrophobicContact CZ3-CD2 3.89Å; W222-L225 PolarHBondContact O-N 3.39Å; W222-I226 WeakPolarHBondContact O-CG1 3.26Å; W222-I226 PolarHBondContact O-N 3.37Å; W222-Y371 AromaticContact CH2-CE1 3.75Å; W222-Y371 HydrophobicContact CH2-CE1 3.75Å; W222-Y371 AromaticContact CZ2-CE1 3.57Å; W222-Y371 HydrophobicContact CZ2-CE1 3.57Å; W222-Y371 AromaticContact CZ2-CZ 3.94Å; W222-Y371 WeakPolarHBondContact CZ2-OH 3.11Å
223	I	92.3	Very high	90.3	Very high	75 Å²	75	55 Å²	55	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-46.9	174.9	-66.9	165.4	0	0	0	110	T219 W220 L225 I226 L227	T219-I223 HydrophobicContact CG2-CD1 4.32Å; T219-I223 WeakPolarHBondContact O-CG1 3.47Å; T219-I223 PolarHBondContact O-N 2.79Å; W220-I223 PolarHBondContact O-N 3.45Å; I223-L225 PolarHBondContact O-N 3.01Å; I223-I226 PolarHBondContact O-N 3.32Å; I223-L227 HydrophobicContact CG2-CD1 4.04Å; I223-L227 HydrophobicContact CG2-CG 4.5Å; I223-L227 WeakPolarHBondContact O-CG 3.32Å; I223-L227 PolarHBondContact O-N 3.39Å
224	I	91.7	Very high	90.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-42	176.4	-67.1	-64.1	0	0	0	111.1	W220 I226 L227 T228 I260 F261 D264	W220-I224 HydrophobicContact CG-CG1 4.49Å; W220-I224 HydrophobicContact CZ2-CD1 4.11Å; W220-I224 WeakPolarHBondContact O-CG1 3.42Å; W220-I224 PolarHBondContact O-N 3.06Å; I224-I226 PolarHBondContact O-N 2.88Å; I224-L227 PolarHBondContact O-N 2.89Å; I224-T228 HydrophobicContact CG2-CG2 4.38Å; I224-T228 WeakPolarHBondContact O-CG2 3.39Å; I224-T228 PolarHBondContact O-N 2.87Å; I224-I260 HydrophobicContact CD1-CG2 3.89Å; I224-F261 HydrophobicContact CD1-CD1 4.36Å; I224-F261 HydrophobicContact CD1-CE1 4.38Å; I224-F261 HydrophobicContact CG2-CE1 4.04Å; I224-D264 HydrophobicContact CD1-CB 3.76Å; I224-D264 HydrophobicContact CG1-CB 4.28Å
225	L	88.8	Confident	90.6	Very high	40 Å²	40	50.1 Å²	50.1	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-48.4	175.2	179.1	59.3	0	0	0	111.7	D221 W222 I223 L227 T228 F229 V364 Y371	D221-L225 WeakPolarHBondContact O-CB 3.14Å; D221-L225 PolarHBondContact O-N 2.87Å; W222-L225 HydrophobicContact CE3-CD2 3.93Å; W222-L225 HydrophobicContact CZ3-CD2 3.89Å; W222-L225 PolarHBondContact O-N 3.39Å; I223-L225 PolarHBondContact O-N 3.01Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.17Å; L225-T228 PolarHBondContact O-N 2.97Å; L225-T228 PolarHBondContact O-OG1 3.26Å; L225-F229 PolarHBondContact O-N 3.33Å; L225-F229 VanDerWaalsContact O-N 3.07Å; L225-V364 HydrophobicContact CD1-CB 4.41Å; L225-V364 HydrophobicContact CD1-CG1 4.01Å; L225-V364 HydrophobicContact CD1-CG2 3.74Å; L225-Y371 HydrophobicContact CD2-CE2 4.03Å
226	I	90.8	Very high	90.7	Very high	112 Å²	112	45.4 Å²	45.4	57%	0.574	22%	0.221	S	C	*	.	H	α-helix	trans	-60.3	-43.7	176.8	-67.1	164.3	0	0	0	111	W222 I223 I224 F229 Y230	W222-I226 WeakPolarHBondContact O-CG1 3.26Å; W222-I226 PolarHBondContact O-N 3.37Å; I223-I226 PolarHBondContact O-N 3.32Å; I224-I226 PolarHBondContact O-N 2.88Å; I226-F229 PolarHBondContact O-N 2.92Å; I226-Y230 PolarHBondContact O-N 3.36Å
227	L	92.1	Very high	90.6	Very high	27 Å²	27	42.4 Å²	42.4	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-35.5	177.2	-69.4	176.4	0	0	0	112.8	I223 I224 L225 F229 Y230 T231 V257 I260 F261	I223-L227 HydrophobicContact CG2-CD1 4.04Å; I223-L227 HydrophobicContact CG2-CG 4.5Å; I223-L227 WeakPolarHBondContact O-CG 3.32Å; I223-L227 PolarHBondContact O-N 3.39Å; I224-L227 PolarHBondContact O-N 2.89Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.17Å; L227-F229 VanDerWaalsContact C-N 3.32Å; L227-F229 PolarHBondContact O-N 3.38Å; L227-Y230 PolarHBondContact O-N 3.21Å; L227-T231 WeakPolarHBondContact O-CG2 3.27Å; L227-T231 PolarHBondContact O-N 3.09Å; L227-T231 PolarHBondContact O-OG1 2.98Å; L227-V257 HydrophobicContact CD2-CG1 4.46Å; L227-V257 HydrophobicContact CD2-CG2 4.04Å; L227-I260 HydrophobicContact CD1-CB 4.08Å; L227-I260 HydrophobicContact CD1-CD1 3.98Å; L227-I260 HydrophobicContact CD1-CG2 3.49Å; L227-I260 VanDerWaalsContact CD1-CG2 3.49Å; L227-F261 HydrophobicContact CB-CE2 4.07Å; L227-F261 HydrophobicContact CB-CZ 3.9Å
228	T	90.9	Very high	90.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-40.7	172.8	60	0	0	0	0	111.3	I224 L225 T231 A232 F261 R360 R363	I224-T228 HydrophobicContact CG2-CG2 4.38Å; I224-T228 WeakPolarHBondContact O-CG2 3.39Å; I224-T228 PolarHBondContact O-N 2.87Å; L225-T228 PolarHBondContact O-N 2.97Å; L225-T228 PolarHBondContact O-OG1 3.26Å; T228-T231 WeakPolarHBondContact CA-OG1 3.39Å; T228-T231 PolarHBondContact O-N 2.69Å; T228-T231 PolarHBondContact O-OG1 2.85Å; T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 2.69Å; T228-F261 HydrophobicContact CG2-CE1 3.75Å; T228-F261 HydrophobicContact CG2-CZ 3.75Å; T228-R360 HydrophobicContact CG2-CB 4.1Å; T228-R360 WeakPolarHBondContact CG2-O 3.49Å; T228-R363 HydrophobicContact CG2-CB 4.34Å
229	F	90.8	Very high	90.3	Very high	85 Å²	85	44.5 Å²	44.5	37%	0.373	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-41.3	177.2	-166.1	-107.8	0	0	0	112.3	L225 I226 L227 T231 A232 I233 C384 L388	L225-F229 PolarHBondContact O-N 3.33Å; L225-F229 VanDerWaalsContact O-N 3.07Å; I226-F229 PolarHBondContact O-N 2.92Å; L227-F229 VanDerWaalsContact C-N 3.32Å; L227-F229 PolarHBondContact O-N 3.38Å; F229-T231 PolarHBondContact O-N 3.44Å; F229-A232 PolarHBondContact O-N 2.95Å; F229-I233 HydrophobicContact CD1-CD1 3.98Å; F229-I233 HydrophobicContact CE1-CD1 3.63Å; F229-I233 HydrophobicContact CZ-CD1 4.03Å; F229-I233 PolarHBondContact O-N 2.99Å; F229-C384 HydrophobicContact CE2-CB 4.09Å; F229-C384 HydrophobicContact CZ-CB 4.45Å; F229-L388 HydrophobicContact CD2-CD1 4.05Å; F229-L388 HydrophobicContact CE2-CB 4.31Å; F229-L388 HydrophobicContact CE2-CD1 4.01Å
230	Y	92.2	Very high	90.1	Very high	56 Å²	56	41.3 Å²	41.3	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-54.2	-51.1	169.6	167.9	-84.8	0	0	0	111.4	I226 L227 A232 I233 L234 V253 D254 V257	I226-Y230 PolarHBondContact O-N 3.36Å; L227-Y230 PolarHBondContact O-N 3.21Å; Y230-A232 VanDerWaalsContact C-N 3.31Å; Y230-A232 PolarHBondContact O-N 2.74Å; Y230-I233 PolarHBondContact O-N 3.48Å; Y230-L234 HydrophobicContact CD1-CD1 4.49Å; Y230-L234 HydrophobicContact CD2-CD1 3.88Å; Y230-L234 HydrophobicContact CE1-CD1 3.96Å; Y230-L234 HydrophobicContact CE2-CD1 3.29Å; Y230-L234 HydrophobicContact CG-CD1 4.44Å; Y230-L234 PolarHBondContact O-N 3.46Å; Y230-L234 WeakPolarHBondContact OH-CD1 3.29Å; Y230-V253 VanDerWaalsContact OH-CG1 3.3Å; Y230-V253 WeakPolarHBondContact OH-CG1 3.33Å; Y230-D254 PolarHBondContact OH-OD1 2.92Å; Y230-V257 HydrophobicContact CD1-CG2 4.27Å; Y230-V257 HydrophobicContact CE1-CG2 3.91Å
231	T	90.8	Very high	89.7	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-32.9	178.9	56.2	0	0	0	0	113	L227 T228 F229 I233 V235 V257 F261	L227-T231 WeakPolarHBondContact O-CG2 3.27Å; L227-T231 PolarHBondContact O-N 3.09Å; L227-T231 PolarHBondContact O-OG1 2.98Å; T228-T231 WeakPolarHBondContact CA-OG1 3.39Å; T228-T231 PolarHBondContact O-N 2.69Å; T228-T231 PolarHBondContact O-OG1 2.85Å; F229-T231 PolarHBondContact O-N 3.44Å; T231-I233 PolarHBondContact O-N 3.46Å; T231-V235 VanDerWaalsContact O-CB 3.27Å; T231-V235 WeakPolarHBondContact O-CB 3.43Å; T231-V235 VanDerWaalsContact O-CG2 3.29Å; T231-V235 WeakPolarHBondContact O-CG2 3.4Å; T231-V235 PolarHBondContact O-N 3.2Å; T231-V235 VanDerWaalsContact O-N 3.08Å; T231-V257 HydrophobicContact CG2-CG1 3.85Å; T231-F261 HydrophobicContact CG2-CE2 4.13Å
232	A	91.7	Very high	89	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-22.7	178.8	0	0	0	0	0	113.4	T228 F229 Y230 P236 L361 L388 W392	T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 2.69Å; F229-A232 PolarHBondContact O-N 2.95Å; Y230-A232 VanDerWaalsContact C-N 3.31Å; Y230-A232 PolarHBondContact O-N 2.74Å; A232-P236 WeakPolarHBondContact O-CD 3.28Å; A232-P236 WeakPolarHBondContact O-CG 3.43Å; A232-L361 HydrophobicContact CB-CD1 3.9Å; A232-L388 HydrophobicContact CB-CD1 3.65Å; A232-L388 HydrophobicContact CB-CG 4.41Å; A232-W392 HydrophobicContact CB-CZ2 4.43Å; A232-W392 PolarHBondContact O-NE1 3.49Å
233	I	92	Very high	87.9	Confident	56 Å²	56	40.8 Å²	40.8	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-92.8	-50.9	175.8	-64.7	168	0	0	0	110.3	F229 Y230 T231 V235 P236 Y237 H391	F229-I233 HydrophobicContact CD1-CD1 3.98Å; F229-I233 HydrophobicContact CE1-CD1 3.63Å; F229-I233 HydrophobicContact CZ-CD1 4.03Å; F229-I233 PolarHBondContact O-N 2.99Å; Y230-I233 PolarHBondContact O-N 3.48Å; T231-I233 PolarHBondContact O-N 3.46Å; I233-V235 PolarHBondContact O-N 3.39Å; I233-P236 WeakPolarHBondContact O-CD 3.35Å; I233-Y237 WeakPolarHBondContact O-CB 3.41Å; I233-Y237 PolarHBondContact O-N 2.87Å; I233-H391 PolarHBondContact O-NE2 2.86Å
234	L	89.1	Confident	86.1	Confident	37 Å²	37	47.6 Å²	47.6	19%	0.194	23%	0.225	C	C	.	.	H	α-helix	trans	-76.8	-25.9	-171.6	-74.4	171.2	0	0	0	114.6	Y230 Y237 N238 W250	Y230-L234 HydrophobicContact CD1-CD1 4.49Å; Y230-L234 HydrophobicContact CD2-CD1 3.88Å; Y230-L234 HydrophobicContact CE1-CD1 3.96Å; Y230-L234 HydrophobicContact CE2-CD1 3.29Å; Y230-L234 HydrophobicContact CG-CD1 4.44Å; Y230-L234 PolarHBondContact O-N 3.46Å; Y230-L234 WeakPolarHBondContact OH-CD1 3.29Å; L234-Y237 HydrophobicContact CD2-CD1 4.32Å; L234-N238 VanDerWaalsContact O-CB 3.25Å; L234-N238 WeakPolarHBondContact O-CB 3.42Å; L234-N238 VanDerWaalsContact O-CG 3.27Å; L234-N238 PolarHBondContact O-N 3.11Å; L234-N238 PolarHBondContact O-ND2 3.43Å; L234-W250 HydrophobicContact CD1-CZ3 4.36Å
235	V	87.9	Confident	84.5	Confident	11 Å²	11	52.4 Å²	52.4	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-67.6	-52.5	178.6	171.6	0	0	0	0	112	T231 I233 Y237 N238 V239 K354 R357 L358	T231-V235 VanDerWaalsContact O-CB 3.27Å; T231-V235 WeakPolarHBondContact O-CB 3.43Å; T231-V235 VanDerWaalsContact O-CG2 3.29Å; T231-V235 WeakPolarHBondContact O-CG2 3.4Å; T231-V235 PolarHBondContact O-N 3.2Å; T231-V235 VanDerWaalsContact O-N 3.08Å; I233-V235 PolarHBondContact O-N 3.39Å; V235-Y237 VanDerWaalsContact C-N 3.32Å; V235-Y237 PolarHBondContact O-N 3.43Å; V235-N238 PolarHBondContact O-N 2.75Å; V235-V239 WeakPolarHBondContact O-CB 3.18Å; V235-V239 VanDerWaalsContact O-CG2 3.29Å; V235-V239 WeakPolarHBondContact O-CG2 3.31Å; V235-V239 PolarHBondContact O-N 2.98Å; V235-K354 VanDerWaalsContact CG1-O 3.27Å; V235-K354 WeakPolarHBondContact CG1-O 3.4Å; V235-R357 HydrophobicContact CG2-CB 3.97Å; V235-L358 HydrophobicContact CG1-CG 4.35Å
236	P	91	Very high	82.8	Confident	15 Å²	15	56.8 Å²	56.8	10%	0.097	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-39.8	174.9	-23.8	35.4	0	0	0	113	A232 I233 S240 L358 W392 C395	A232-P236 WeakPolarHBondContact O-CD 3.28Å; A232-P236 WeakPolarHBondContact O-CG 3.43Å; I233-P236 WeakPolarHBondContact O-CD 3.35Å; P236-S240 WeakPolarHBondContact O-CB 3.19Å; P236-S240 PolarHBondContact O-N 3.25Å; P236-S240 PolarHBondContact O-OG 3.25Å; P236-L358 HydrophobicContact CG-CD1 4.41Å; P236-L358 HydrophobicContact CG-CD2 4.07Å; P236-W392 HydrophobicContact CG-CG 4.49Å; P236-C395 HydrophobicContact CB-CB 3.94Å
237	Y	90.2	Very high	81.7	Confident	44 Å²	44	56.2 Å²	56.2	17%	0.173	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-51.7	177.3	-179.5	-100.3	0	0	0	111.9	I233 L234 V235 V239 S240 F241 T243 Y450	I233-Y237 WeakPolarHBondContact O-CB 3.41Å; I233-Y237 PolarHBondContact O-N 2.87Å; L234-Y237 HydrophobicContact CD2-CD1 4.32Å; V235-Y237 VanDerWaalsContact C-N 3.32Å; V235-Y237 PolarHBondContact O-N 3.43Å; Y237-V239 PolarHBondContact O-N 3.35Å; Y237-S240 PolarHBondContact O-N 3.33Å; Y237-F241 HydrophobicContact CD2-CB 4.44Å; Y237-F241 AromaticContact CD2-CD2 3.55Å; Y237-F241 HydrophobicContact CD2-CD2 3.55Å; Y237-F241 HydrophobicContact CD2-CE2 4.13Å; Y237-F241 HydrophobicContact CD2-CG 4.11Å; Y237-F241 HydrophobicContact CE2-CB 4.16Å; Y237-F241 AromaticContact CE2-CD2 3.75Å; Y237-F241 HydrophobicContact CE2-CD2 3.75Å; Y237-F241 HydrophobicContact CE2-CE2 4.37Å; Y237-F241 AromaticContact CE2-CG 3.87Å; Y237-F241 HydrophobicContact CE2-CG 3.87Å; Y237-F241 HydrophobicContact CG-CD2 4.33Å; Y237-F241 WeakPolarHBondContact O-CB 3.19Å; Y237-F241 PolarHBondContact O-N 3.32Å; Y237-T243 HydrophobicContact CE1-CG2 3.91Å; Y237-Y450 AromaticContact CD2-CD2 3.92Å; Y237-Y450 HydrophobicContact CD2-CD2 3.92Å; Y237-Y450 HydrophobicContact CD2-CE2 4.08Å; Y237-Y450 HydrophobicContact CD2-CG 4.42Å; Y237-Y450 AromaticContact CE2-CD2 3.94Å; Y237-Y450 HydrophobicContact CE2-CD2 3.94Å; Y237-Y450 HydrophobicContact CE2-CE2 4.45Å; Y237-Y450 AromaticContact CE2-CG 4Å; Y237-Y450 HydrophobicContact CE2-CG 4Å
238	N	85.9	Confident	81	Confident	53 Å²	53	59.7 Å²	59.7	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-66.7	-36.1	-178.8	-74.9	-23.4	0	0	0	112.6	L234 V235 K242 T243	L234-N238 VanDerWaalsContact O-CB 3.25Å; L234-N238 WeakPolarHBondContact O-CB 3.42Å; L234-N238 VanDerWaalsContact O-CG 3.27Å; L234-N238 PolarHBondContact O-N 3.11Å; L234-N238 PolarHBondContact O-ND2 3.43Å; V235-N238 PolarHBondContact O-N 2.75Å; N238-K242 PolarHBondContact O-N 3.42Å; N238-T243 WeakPolarHBondContact CA-OG1 3.36Å; N238-T243 PolarHBondContact OD1-OG1 3.21Å
239	V	84.6	Confident	80.5	Confident	48 Å²	48	62.8 Å²	62.8	29%	0.291	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-46.7	175.5	168.9	0	0	0	0	111.2	V235 Y237 K354 V355	V235-V239 WeakPolarHBondContact O-CB 3.18Å; V235-V239 VanDerWaalsContact O-CG2 3.29Å; V235-V239 WeakPolarHBondContact O-CG2 3.31Å; V235-V239 PolarHBondContact O-N 2.98Å; Y237-V239 PolarHBondContact O-N 3.35Å; V239-K354 HydrophobicContact CG2-CB 4.24Å; V239-V355 HydrophobicContact CG1-CG2 4.35Å; V239-V355 HydrophobicContact CG2-CG2 4.23Å
240	S	86.6	Confident	80.1	Confident	10 Å²	10	65.8 Å²	65.8	7%	0.07	33%	0.326	C	S	.	.	H	α-helix	trans	-78.7	-52.5	-175	-52.7	0	0	0	0	112.1	P236 Y237 K242 C395 Y398 S399	P236-S240 WeakPolarHBondContact O-CB 3.19Å; P236-S240 PolarHBondContact O-N 3.25Å; P236-S240 PolarHBondContact O-OG 3.25Å; Y237-S240 PolarHBondContact O-N 3.33Å; S240-K242 PolarHBondContact O-N 2.94Å; S240-C395 WeakPolarHBondContact CB-O 3.4Å; S240-C395 WeakPolarHBondContact OG-CB 3.42Å; S240-C395 PolarHBondContact OG-O 3.19Å; S240-Y398 WeakPolarHBondContact O-CE1 3.32Å; S240-S399 WeakPolarHBondContact CB-OG 3.44Å; S240-S399 PolarHBondContact OG-OG 2.92Å
241	F	84.5	Confident	79.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-78.9	1.3	-173.1	-71.2	-89	0	0	0	114.2	Y237 T243 Y398 K446 V449 Y450	Y237-F241 HydrophobicContact CD2-CB 4.44Å; Y237-F241 AromaticContact CD2-CD2 3.55Å; Y237-F241 HydrophobicContact CD2-CD2 3.55Å; Y237-F241 HydrophobicContact CD2-CE2 4.13Å; Y237-F241 HydrophobicContact CD2-CG 4.11Å; Y237-F241 HydrophobicContact CE2-CB 4.16Å; Y237-F241 AromaticContact CE2-CD2 3.75Å; Y237-F241 HydrophobicContact CE2-CD2 3.75Å; Y237-F241 HydrophobicContact CE2-CE2 4.37Å; Y237-F241 AromaticContact CE2-CG 3.87Å; Y237-F241 HydrophobicContact CE2-CG 3.87Å; Y237-F241 HydrophobicContact CG-CD2 4.33Å; Y237-F241 WeakPolarHBondContact O-CB 3.19Å; Y237-F241 PolarHBondContact O-N 3.32Å; F241-T243 VanDerWaalsContact C-N 3.27Å; F241-T243 PolarHBondContact O-N 3.35Å; F241-Y398 AromaticContact CD1-CD1 3.57Å; F241-Y398 HydrophobicContact CD1-CD1 3.57Å; F241-Y398 AromaticContact CD1-CE1 3.71Å; F241-Y398 HydrophobicContact CD1-CE1 3.71Å; F241-Y398 HydrophobicContact CD1-CG 4.1Å; F241-Y398 HydrophobicContact CD2-CD1 4.08Å; F241-Y398 AromaticContact CE1-CD1 3.44Å; F241-Y398 HydrophobicContact CE1-CD1 3.44Å; F241-Y398 VanDerWaalsContact CE1-CD1 3.44Å; F241-Y398 HydrophobicContact CE1-CD2 4.02Å; F241-Y398 AromaticContact CE1-CE1 3.96Å; F241-Y398 HydrophobicContact CE1-CE1 3.96Å; F241-Y398 HydrophobicContact CE1-CE2 4.49Å; F241-Y398 AromaticContact CE1-CG 3.48Å; F241-Y398 HydrophobicContact CE1-CG 3.48Å; F241-Y398 VanDerWaalsContact CE1-CG 3.48Å; F241-Y398 AromaticContact CE2-CD1 3.95Å; F241-Y398 HydrophobicContact CE2-CD1 3.95Å; F241-Y398 HydrophobicContact CE2-CG 4.25Å; F241-Y398 AromaticContact CG-CD1 3.89Å; F241-Y398 HydrophobicContact CG-CD1 3.89Å; F241-Y398 HydrophobicContact CG-CE1 4.11Å; F241-Y398 AromaticContact CZ-CD1 3.62Å; F241-Y398 HydrophobicContact CZ-CD1 3.62Å; F241-Y398 HydrophobicContact CZ-CD2 4.43Å; F241-Y398 AromaticContact CZ-CG 3.55Å; F241-Y398 HydrophobicContact CZ-CG 3.55Å; F241-K446 PolarHBondContact O-NZ 3.46Å; F241-V449 HydrophobicContact CE1-CG1 4.27Å; F241-Y450 HydrophobicContact CD2-CD2 4.42Å; F241-Y450 AromaticContact CE2-CD2 3.67Å; F241-Y450 HydrophobicContact CE2-CD2 3.67Å; F241-Y450 AromaticContact CZ-CD2 3.75Å; F241-Y450 HydrophobicContact CZ-CD2 3.75Å; F241-Y450 HydrophobicContact CZ-CG 4.28Å
242	K	75.1	Confident	79.2	Confident	125 Å²	125	68.5 Å²	68.5	54%	0.543	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	54.3	173.9	-63.8	164.9	-172.1	167.2	0	110.9	N238 S240 R244 D402 K446	N238-K242 PolarHBondContact O-N 3.42Å; S240-K242 PolarHBondContact O-N 2.94Å; K242-R244 PolarHBondContact O-N 3.36Å; K242-D402 IonicContact NZ-OD2 2.64Å; K242-D402 PolarHBondContact NZ-OD2 3.3Å; K242-K446 PolarHBondContact O-NZ 2.89Å; K242-K446 VanDerWaalsContact O-NZ 3.1Å
243	T	67.2	Low	79	Confident	50 Å²	50	71.2 Å²	71.2	31%	0.307	36%	0.363	S	S	.	.			trans	-68.6	93.8	174.1	29.5	0	0	0	0	108.4	Y237 N238 F241 Q245	Y237-T243 HydrophobicContact CE1-CG2 3.91Å; N238-T243 WeakPolarHBondContact CA-OG1 3.36Å; N238-T243 PolarHBondContact OD1-OG1 3.21Å; F241-T243 VanDerWaalsContact C-N 3.27Å; F241-T243 PolarHBondContact O-N 3.35Å; T243-Q245 PolarHBondContact O-N 3.14Å
244	R	55.3	Low	78.6	Confident	217 Å²	217	69.6 Å²	69.6	82%	0.819	36%	0.355	S	S	*	.			trans	-50.9	135	171.5	-77.6	-170.8	167.5	-167.9	-5	109	K242 N246	K242-R244 PolarHBondContact O-N 3.36Å; R244-N246 VanDerWaalsContact CB-OD1 3.26Å; R244-N246 WeakPolarHBondContact CB-OD1 3.28Å; R244-N246 PolarHBondContact O-N 3.28Å
245	Q	56.3	Low	78.5	Confident	105 Å²	105	69.4 Å²	69.4	49%	0.491	36%	0.357	S	S	.	.			trans	-75	42.5	-171.4	-65.8	168.9	-60.1	0	0	112.8	T243 N247 D307	T243-Q245 PolarHBondContact O-N 3.14Å; Q245-N247 PolarHBondContact O-N 2.89Å; Q245-N247 VanDerWaalsContact O-N 3.08Å; Q245-D307 PolarHBondContact NE2-OD1 3.19Å
246	N	54.3	Low	78.6	Confident	132 Å²	132	73.3 Å²	73.3	71%	0.706	38%	0.376	S	S	*	.			trans	-60.3	-20.9	-176.9	-63.3	3.6	0	0	0	112.9	R244	R244-N246 VanDerWaalsContact CB-OD1 3.26Å; R244-N246 WeakPolarHBondContact CB-OD1 3.28Å; R244-N246 PolarHBondContact O-N 3.28Å
247	N	67.6	Low	78.6	Confident	101 Å²	101	73 Å²	73	54%	0.54	37%	0.374	S	S	.	.			trans	-111.6	102.6	177.1	-67.1	7.6	0	0	0	109.9	Q245 A249 W250	Q245-N247 PolarHBondContact O-N 2.89Å; Q245-N247 VanDerWaalsContact O-N 3.08Å; N247-A249 PolarHBondContact O-N 2.86Å; N247-W250 PolarHBondContact O-N 2.74Å
248	V	76.6	Confident	78.6	Confident	100 Å²	100	71.2 Å²	71.2	61%	0.606	37%	0.368	S	S	*	.	H	α-helix	trans	-52.5	-28.1	174.7	-179.1	0	0	0	0	112.3	W250 L251 V252	V248-W250 VanDerWaalsContact C-N 3.31Å; V248-W250 PolarHBondContact O-N 3.24Å; V248-L251 WeakPolarHBondContact O-CB 3.27Å; V248-L251 PolarHBondContact O-N 2.83Å; V248-L251 VanDerWaalsContact O-N 3.15Å; V248-V252 HydrophobicContact CG1-CG2 4.21Å; V248-V252 WeakPolarHBondContact O-CG2 3.46Å; V248-V252 PolarHBondContact O-N 3.19Å
249	A	81.1	Confident	78.8	Confident	68 Å²	68	73 Å²	73	56%	0.562	38%	0.38	S	S	*	.	H	α-helix	trans	-53.5	-40	175.3	0	0	0	0	0	114	N247 V252 V253	N247-A249 PolarHBondContact O-N 2.86Å; A249-V252 PolarHBondContact O-N 3.27Å; A249-V253 WeakPolarHBondContact O-CG2 3.34Å; A249-V253 PolarHBondContact O-N 2.86Å
250	W	81.9	Confident	79.2	Confident	148 Å²	148	72.9 Å²	72.9	56%	0.561	38%	0.377	S	S	*	.	H	α-helix	trans	-70.4	-38.9	178.3	-75.2	119.3	0	0	0	112.1	L234 N247 V248 V252 V253 D254	L234-W250 HydrophobicContact CD1-CZ3 4.36Å; N247-W250 PolarHBondContact O-N 2.74Å; V248-W250 VanDerWaalsContact C-N 3.31Å; V248-W250 PolarHBondContact O-N 3.24Å; W250-V252 VanDerWaalsContact C-N 3.29Å; W250-V252 PolarHBondContact O-N 3.47Å; W250-V253 PolarHBondContact O-N 3.21Å; W250-D254 PolarHBondContact O-N 3.12Å
251	L	79.2	Confident	79.5	Confident	45 Å²	45	72.4 Å²	72.4	24%	0.236	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-39.4	173.4	177	63.4	0	0	0	111.5	V248 S255 D307	V248-L251 WeakPolarHBondContact O-CB 3.27Å; V248-L251 PolarHBondContact O-N 2.83Å; V248-L251 VanDerWaalsContact O-N 3.15Å; L251-S255 VanDerWaalsContact O-CB 3.32Å; L251-S255 WeakPolarHBondContact O-CB 3.26Å; L251-S255 PolarHBondContact O-N 2.94Å; L251-S255 PolarHBondContact O-OG 3.48Å; L251-D307 HydrophobicContact CD1-CB 3.59Å
252	V	85.3	Confident	79.9	Confident	73 Å²	73	76.8 Å²	76.8	44%	0.442	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-44	175	171.5	0	0	0	0	111.6	V248 A249 W250 S255 I256	V248-V252 HydrophobicContact CG1-CG2 4.21Å; V248-V252 WeakPolarHBondContact O-CG2 3.46Å; V248-V252 PolarHBondContact O-N 3.19Å; A249-V252 PolarHBondContact O-N 3.27Å; W250-V252 VanDerWaalsContact C-N 3.29Å; W250-V252 PolarHBondContact O-N 3.47Å; V252-S255 PolarHBondContact O-N 3.39Å; V252-I256 HydrophobicContact CG1-CD1 3.92Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.39Å; V252-I256 PolarHBondContact O-N 3.46Å
253	V	86.6	Confident	80.8	Confident	58 Å²	58	73.8 Å²	73.8	35%	0.352	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-48.4	177.5	174.7	0	0	0	0	111.1	Y230 A249 W250 S255 I256 V257	Y230-V253 VanDerWaalsContact OH-CG1 3.3Å; Y230-V253 WeakPolarHBondContact OH-CG1 3.33Å; A249-V253 WeakPolarHBondContact O-CG2 3.34Å; A249-V253 PolarHBondContact O-N 2.86Å; W250-V253 PolarHBondContact O-N 3.21Å; V253-S255 VanDerWaalsContact C-N 3.26Å; V253-S255 PolarHBondContact O-N 3.1Å; V253-I256 WeakPolarHBondContact O-CB 3.36Å; V253-I256 PolarHBondContact O-N 2.92Å; V253-I256 VanDerWaalsContact O-N 3.11Å; V253-V257 WeakPolarHBondContact O-CG2 3.42Å; V253-V257 PolarHBondContact O-N 2.81Å
254	D	85.3	Confident	82	Confident	21 Å²	21	71.6 Å²	71.6	11%	0.112	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-33.1	178.9	-75.3	-3.4	0	0	0	111.8	Y230 W250 V257 D258	Y230-D254 PolarHBondContact OH-OD1 2.92Å; W250-D254 PolarHBondContact O-N 3.12Å; D254-V257 PolarHBondContact O-N 2.7Å; D254-D258 PolarHBondContact O-N 3.05Å
255	S	85.9	Confident	83.8	Confident	34 Å²	34	61.6 Å²	61.6	24%	0.238	34%	0.338	C	S	.	.	H	α-helix	trans	-65.4	-40.8	171.8	-59.1	0	0	0	0	112.7	L251 V252 V253 V257 D258 V259	L251-S255 VanDerWaalsContact O-CB 3.32Å; L251-S255 WeakPolarHBondContact O-CB 3.26Å; L251-S255 PolarHBondContact O-N 2.94Å; L251-S255 PolarHBondContact O-OG 3.48Å; V252-S255 PolarHBondContact O-N 3.39Å; V253-S255 VanDerWaalsContact C-N 3.26Å; V253-S255 PolarHBondContact O-N 3.1Å; S255-V257 VanDerWaalsContact C-N 3.34Å; S255-D258 PolarHBondContact O-N 3.43Å; S255-V259 WeakPolarHBondContact O-CG2 3.36Å; S255-V259 PolarHBondContact O-N 3.37Å
256	I	90.1	Very high	85.6	Confident	93 Å²	93	60.4 Å²	60.4	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-42	174.4	-70	163	0	0	0	110.4	V252 V253 V259 I260	V252-I256 HydrophobicContact CG1-CD1 3.92Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.39Å; V252-I256 PolarHBondContact O-N 3.46Å; V253-I256 WeakPolarHBondContact O-CB 3.36Å; V253-I256 PolarHBondContact O-N 2.92Å; V253-I256 VanDerWaalsContact O-N 3.11Å; I256-V259 PolarHBondContact O-N 3.32Å; I256-I260 HydrophobicContact CG2-CD1 4.02Å; I256-I260 WeakPolarHBondContact O-CG1 3.35Å; I256-I260 PolarHBondContact O-N 3.09Å
257	V	90.9	Very high	87.4	Confident	8 Å²	8	55.5 Å²	55.5	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-44.5	176.6	174.1	0	0	0	0	110.9	L227 Y230 T231 V253 D254 S255 V259 I260 F261	L227-V257 HydrophobicContact CD2-CG1 4.46Å; L227-V257 HydrophobicContact CD2-CG2 4.04Å; Y230-V257 HydrophobicContact CD1-CG2 4.27Å; Y230-V257 HydrophobicContact CE1-CG2 3.91Å; T231-V257 HydrophobicContact CG2-CG1 3.85Å; V253-V257 WeakPolarHBondContact O-CG2 3.42Å; V253-V257 PolarHBondContact O-N 2.81Å; D254-V257 PolarHBondContact O-N 2.7Å; S255-V257 VanDerWaalsContact C-N 3.34Å; V257-V259 PolarHBondContact O-N 2.83Å; V257-I260 PolarHBondContact O-N 2.7Å; V257-F261 HydrophobicContact CG1-CD2 3.81Å; V257-F261 HydrophobicContact CG1-CE2 3.56Å; V257-F261 WeakPolarHBondContact O-CD2 3.33Å; V257-F261 PolarHBondContact O-N 3.02Å
258	D	89.9	Confident	88.5	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-39	176.9	-74.8	-0.3	0	0	0	112.2	D254 S255 F261 L262 P305 R357 R360	D254-D258 PolarHBondContact O-N 3.05Å; S255-D258 PolarHBondContact O-N 3.43Å; D258-F261 PolarHBondContact O-N 2.79Å; D258-L262 PolarHBondContact O-N 2.87Å; D258-P305 HydrophobicContact CB-CB 4.49Å; D258-R357 IonicContact OD1-NE 3.59Å; D258-R357 PolarHBondContact OD1-NE 2.9Å; D258-R357 IonicContact OD2-CZ 2.67Å; D258-R357 IonicContact OD2-NE 3.71Å; D258-R357 PolarHBondContact OD2-NE 3.45Å; D258-R357 IonicContact OD2-NH2 2.67Å; D258-R357 PolarHBondContact OD2-NH2 3.4Å; D258-R360 IonicContact OD1-CZ 2.75Å; D258-R360 IonicContact OD1-NH1 2.67Å; D258-R360 PolarHBondContact OD1-NH1 2.79Å; D258-R360 IonicContact OD1-NH2 3.72Å; D258-R360 PolarHBondContact OD1-NH2 2.89Å; D258-R360 IonicContact OD2-NH2 2.87Å
259	V	91.5	Very high	89.3	Confident	90 Å²	90	49.1 Å²	49.1	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-41.1	172.2	169.5	0	0	0	0	112	S255 I256 V257 F261 L262 V263	S255-V259 WeakPolarHBondContact O-CG2 3.36Å; S255-V259 PolarHBondContact O-N 3.37Å; I256-V259 PolarHBondContact O-N 3.32Å; V257-V259 PolarHBondContact O-N 2.83Å; V259-F261 VanDerWaalsContact C-N 3.33Å; V259-F261 PolarHBondContact O-N 3.2Å; V259-L262 WeakPolarHBondContact O-CB 3.37Å; V259-L262 PolarHBondContact O-N 3.39Å; V259-V263 WeakPolarHBondContact O-CG2 3.37Å; V259-V263 PolarHBondContact O-N 2.98Å
260	I	93.2	Very high	89.8	Confident	45 Å²	45	48.1 Å²	48.1	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-38.8	176.9	-66.7	164.1	0	0	0	111	W220 I224 L227 I256 V257 V263 D264	W220-I260 HydrophobicContact CH2-CG2 3.88Å; W220-I260 HydrophobicContact CZ2-CG2 4.02Å; I224-I260 HydrophobicContact CD1-CG2 3.89Å; L227-I260 HydrophobicContact CD1-CB 4.08Å; L227-I260 HydrophobicContact CD1-CD1 3.98Å; L227-I260 HydrophobicContact CD1-CG2 3.49Å; L227-I260 VanDerWaalsContact CD1-CG2 3.49Å; I256-I260 HydrophobicContact CG2-CD1 4.02Å; I256-I260 WeakPolarHBondContact O-CG1 3.35Å; I256-I260 PolarHBondContact O-N 3.09Å; V257-I260 PolarHBondContact O-N 2.7Å; I260-V263 PolarHBondContact O-N 2.87Å; I260-D264 PolarHBondContact O-N 3.47Å
261	F	92.3	Very high	90.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67	-34.4	173.5	-79.2	-67.5	0	0	0	113.1	I224 L227 T228 T231 V257 D258 V259 D264 I265 C303 R360	I224-F261 HydrophobicContact CD1-CD1 4.36Å; I224-F261 HydrophobicContact CD1-CE1 4.38Å; I224-F261 HydrophobicContact CG2-CE1 4.04Å; L227-F261 HydrophobicContact CB-CE2 4.07Å; L227-F261 HydrophobicContact CB-CZ 3.9Å; T228-F261 HydrophobicContact CG2-CE1 3.75Å; T228-F261 HydrophobicContact CG2-CZ 3.75Å; T231-F261 HydrophobicContact CG2-CE2 4.13Å; V257-F261 HydrophobicContact CG1-CD2 3.81Å; V257-F261 HydrophobicContact CG1-CE2 3.56Å; V257-F261 WeakPolarHBondContact O-CD2 3.33Å; V257-F261 PolarHBondContact O-N 3.02Å; D258-F261 PolarHBondContact O-N 2.79Å; V259-F261 VanDerWaalsContact C-N 3.33Å; V259-F261 PolarHBondContact O-N 3.2Å; F261-D264 PolarHBondContact O-N 2.6Å; F261-I265 PolarHBondContact O-N 2.93Å; F261-I265 VanDerWaalsContact O-N 3.14Å; F261-C303 HydrophobicContact CB-CB 4.22Å; F261-R360 HydrophobicContact CE1-CB 4.48Å; F261-R360 HydrophobicContact CE1-CG 4.39Å; F261-R360 HydrophobicContact CZ-CG 4.45Å
262	L	91.8	Very high	90.9	Very high	92 Å²	92	39.9 Å²	39.9	48%	0.482	22%	0.224	S	C	.	.	H	α-helix	trans	-65.7	-41.1	172.9	-173	65.7	0	0	0	111.6	D258 V259 D264 I265 V266	D258-L262 PolarHBondContact O-N 2.87Å; V259-L262 WeakPolarHBondContact O-CB 3.37Å; V259-L262 PolarHBondContact O-N 3.39Å; L262-D264 VanDerWaalsContact C-N 3.33Å; L262-D264 PolarHBondContact O-N 2.83Å; L262-I265 PolarHBondContact O-N 2.9Å; L262-V266 PolarHBondContact O-N 2.77Å
263	V	93.9	Very high	91	Very high	63 Å²	63	38.8 Å²	38.8	38%	0.382	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-39.6	172.3	172.5	0	0	0	0	111.2	W220 V259 I260 I265 V266 L267	W220-V263 HydrophobicContact CH2-CB 4.31Å; W220-V263 HydrophobicContact CH2-CG1 3.76Å; W220-V263 HydrophobicContact CZ2-CB 4.31Å; W220-V263 HydrophobicContact CZ2-CG1 3.86Å; V259-V263 WeakPolarHBondContact O-CG2 3.37Å; V259-V263 PolarHBondContact O-N 2.98Å; I260-V263 PolarHBondContact O-N 2.87Å; V263-I265 VanDerWaalsContact C-N 3.33Å; V263-I265 PolarHBondContact O-N 3.18Å; V263-V266 PolarHBondContact O-N 2.79Å; V263-V266 VanDerWaalsContact O-N 3.17Å; V263-L267 HydrophobicContact CG1-CD1 3.9Å; V263-L267 HydrophobicContact CG1-CG 4.28Å; V263-L267 WeakPolarHBondContact O-CG 3.4Å; V263-L267 PolarHBondContact O-N 3.46Å
264	D	93.7	Very high	91	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-38.8	175.1	-169.2	52.9	0	0	0	112.2	W220 I224 I260 F261 L262 V266 L267 N268 R363	W220-D264 HydrophobicContact CZ2-CB 4.29Å; W220-D264 PolarHBondContact NE1-OD1 3.5Å; I224-D264 HydrophobicContact CD1-CB 3.76Å; I224-D264 HydrophobicContact CG1-CB 4.28Å; I260-D264 PolarHBondContact O-N 3.47Å; F261-D264 PolarHBondContact O-N 2.6Å; L262-D264 VanDerWaalsContact C-N 3.33Å; L262-D264 PolarHBondContact O-N 2.83Å; D264-V266 VanDerWaalsContact C-N 3.33Å; D264-V266 PolarHBondContact O-N 3.34Å; D264-L267 PolarHBondContact O-N 3.47Å; D264-N268 WeakPolarHBondContact O-CB 3.42Å; D264-N268 PolarHBondContact O-N 3.23Å; D264-N268 PolarHBondContact O-ND2 2.63Å; D264-N268 PolarHBondContact OD1-ND2 2.94Å; D264-N268 PolarHBondContact OD2-ND2 3.01Å; D264-R363 IonicContact OD2-CZ 3.33Å; D264-R363 IonicContact OD2-NE 3.14Å; D264-R363 IonicContact OD2-NH1 2.7Å; D264-R363 PolarHBondContact OD2-NH1 3.48Å
265	I	92.7	Very high	90.7	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-44.7	174.2	-66.8	175.6	0	0	0	110.9	F261 L262 V263 L267 N268 F269 Y291 F296 D299 C303	F261-I265 PolarHBondContact O-N 2.93Å; F261-I265 VanDerWaalsContact O-N 3.14Å; L262-I265 PolarHBondContact O-N 2.9Å; V263-I265 VanDerWaalsContact C-N 3.33Å; V263-I265 PolarHBondContact O-N 3.18Å; I265-L267 VanDerWaalsContact C-N 3.34Å; I265-L267 PolarHBondContact O-N 2.83Å; I265-N268 PolarHBondContact O-N 3.49Å; I265-F269 HydrophobicContact CG2-CD2 4.05Å; I265-F269 HydrophobicContact CG2-CE2 3.87Å; I265-F269 VanDerWaalsContact O-CD2 3.31Å; I265-F269 WeakPolarHBondContact O-CD2 3.26Å; I265-F269 PolarHBondContact O-N 3.13Å; I265-F269 VanDerWaalsContact O-N 3.13Å; I265-Y291 HydrophobicContact CG2-CE1 4.25Å; I265-F296 HydrophobicContact CG2-CD2 4.19Å; I265-F296 HydrophobicContact CG2-CE2 4.14Å; I265-D299 HydrophobicContact CD1-CB 4.11Å; I265-D299 HydrophobicContact CG1-CB 4.08Å; I265-C303 HydrophobicContact CD1-CB 4.06Å; I265-C303 WeakPolarHBondContact CD1-SG 3.05Å
266	V	93.4	Very high	90.4	Very high	80 Å²	80	42.8 Å²	42.8	49%	0.485	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-39.8	176.2	178.9	0	0	0	0	111.4	L262 V263 D264 F269 H270	L262-V266 PolarHBondContact O-N 2.77Å; V263-V266 PolarHBondContact O-N 2.79Å; V263-V266 VanDerWaalsContact O-N 3.17Å; D264-V266 VanDerWaalsContact C-N 3.33Å; D264-V266 PolarHBondContact O-N 3.34Å; V266-F269 PolarHBondContact O-N 3Å; V266-H270 PolarHBondContact O-ND1 3.49Å
267	L	92.3	Very high	89.5	Confident	29 Å²	29	41.9 Å²	41.9	15%	0.152	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-37.9	176.6	-68.6	169.8	0	0	0	112.5	I210 W220 V263 D264 I265 F269 H270 T271	I210-L267 HydrophobicContact CD1-CD2 3.59Å; W220-L267 HydrophobicContact CD2-CD1 3.84Å; W220-L267 VanDerWaalsContact CE2-CD1 3.42Å; W220-L267 HydrophobicContact CE3-CD1 4.42Å; W220-L267 HydrophobicContact CG-CD1 4.28Å; W220-L267 HydrophobicContact CH2-CD1 4.27Å; W220-L267 HydrophobicContact CZ2-CD1 3.67Å; V263-L267 HydrophobicContact CG1-CD1 3.9Å; V263-L267 HydrophobicContact CG1-CG 4.28Å; V263-L267 WeakPolarHBondContact O-CG 3.4Å; V263-L267 PolarHBondContact O-N 3.46Å; D264-L267 PolarHBondContact O-N 3.47Å; I265-L267 VanDerWaalsContact C-N 3.34Å; I265-L267 PolarHBondContact O-N 2.83Å; L267-F269 VanDerWaalsContact C-N 3.33Å; L267-F269 PolarHBondContact O-N 2.86Å; L267-H270 CarbonylContact O-C 3.57Å; L267-H270 PolarHBondContact O-N 3.39Å; L267-T271 PolarHBondContact O-N 3.3Å; L267-T271 PolarHBondContact O-OG1 3.01Å
268	N	91.2	Very high	88.5	Confident	24 Å²	24	42.2 Å²	42.2	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-38.5	174.8	-79.1	-82.8	0	0	0	111.4	D264 I265 H270 T271 Y291 R366	D264-N268 WeakPolarHBondContact O-CB 3.42Å; D264-N268 PolarHBondContact O-N 3.23Å; D264-N268 PolarHBondContact O-ND2 2.63Å; D264-N268 PolarHBondContact OD1-ND2 2.94Å; D264-N268 PolarHBondContact OD2-ND2 3.01Å; I265-N268 PolarHBondContact O-N 3.49Å; N268-H270 PolarHBondContact O-N 2.82Å; N268-H270 VanDerWaalsContact O-N 3.14Å; N268-T271 PolarHBondContact O-N 3.01Å; N268-Y291 HydrophobicContact CB-CD1 4.4Å; N268-Y291 HydrophobicContact CB-CD2 4.26Å; N268-Y291 HydrophobicContact CB-CE1 3.96Å; N268-Y291 HydrophobicContact CB-CE2 3.81Å; N268-R366 PolarHBondContact OD1-NH1 3.46Å
269	F	92.7	Very high	88	Confident	43 Å²	43	47.1 Å²	47.1	19%	0.189	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.2	172	-83.7	-61	0	0	0	114.9	I265 V266 L267 R288 Y291 F296	I265-F269 HydrophobicContact CG2-CD2 4.05Å; I265-F269 HydrophobicContact CG2-CE2 3.87Å; I265-F269 VanDerWaalsContact O-CD2 3.31Å; I265-F269 WeakPolarHBondContact O-CD2 3.26Å; I265-F269 PolarHBondContact O-N 3.13Å; I265-F269 VanDerWaalsContact O-N 3.13Å; V266-F269 PolarHBondContact O-N 3Å; L267-F269 VanDerWaalsContact C-N 3.33Å; L267-F269 PolarHBondContact O-N 2.86Å; F269-R288 HydrophobicContact CB-CG 4.48Å; F269-R288 HydrophobicContact CD1-CB 4.06Å; F269-R288 HydrophobicContact CD1-CG 3.8Å; F269-R288 HydrophobicContact CE1-CB 4.43Å; F269-Y291 AromaticContact CD1-CD1 3.56Å; F269-Y291 HydrophobicContact CD1-CD1 3.56Å; F269-Y291 HydrophobicContact CD1-CE1 4.16Å; F269-Y291 HydrophobicContact CD2-CD1 4.11Å; F269-Y291 AromaticContact CD2-CE1 3.86Å; F269-Y291 HydrophobicContact CD2-CE1 3.86Å; F269-Y291 AromaticContact CE1-CD1 3.57Å; F269-Y291 HydrophobicContact CE1-CD1 3.57Å; F269-Y291 HydrophobicContact CE1-CE1 4.12Å; F269-Y291 HydrophobicContact CE2-CD1 4.1Å; F269-Y291 AromaticContact CE2-CE1 3.79Å; F269-Y291 HydrophobicContact CE2-CE1 3.79Å; F269-Y291 AromaticContact CG-CD1 3.86Å; F269-Y291 HydrophobicContact CG-CD1 3.86Å; F269-Y291 HydrophobicContact CG-CE1 4.05Å; F269-Y291 AromaticContact CZ-CD1 3.84Å; F269-Y291 HydrophobicContact CZ-CD1 3.84Å; F269-Y291 AromaticContact CZ-CE1 3.94Å; F269-Y291 HydrophobicContact CZ-CE1 3.94Å; F269-F296 AromaticContact CE2-CD2 3.64Å; F269-F296 HydrophobicContact CE2-CD2 3.64Å; F269-F296 AromaticContact CE2-CE2 3.6Å; F269-F296 HydrophobicContact CE2-CE2 3.6Å; F269-F296 HydrophobicContact CE2-CZ 4.49Å; F269-F296 AromaticContact CZ-CD2 3.49Å; F269-F296 HydrophobicContact CZ-CD2 3.49Å; F269-F296 VanDerWaalsContact CZ-CD2 3.49Å; F269-F296 AromaticContact CZ-CE2 3.65Å; F269-F296 HydrophobicContact CZ-CE2 3.65Å; F269-F296 AromaticContact CZ-CG 4Å; F269-F296 HydrophobicContact CZ-CG 4Å; F269-F296 HydrophobicContact CZ-CZ 4.26Å
270	H	93.1	Very high	87.6	Confident	48 Å²	48	44.4 Å²	44.4	22%	0.222	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	8.2	-178.2	-65.9	94.7	0	0	0	113.6	H208 I209 I210 V266 L267 N268 R288	H208-H270 PolarHBondContact O-CD2 2.81Å; H208-H270 VanDerWaalsContact O-CD2 3.32Å; I209-H270 CarbonylContact C-O 3.51Å; I209-H270 WeakPolarHBondContact CA-O 3.27Å; I210-H270 PolarHBondContact N-O 3.47Å; V266-H270 PolarHBondContact O-ND1 3.49Å; L267-H270 CarbonylContact O-C 3.57Å; L267-H270 PolarHBondContact O-N 3.39Å; N268-H270 PolarHBondContact O-N 2.82Å; N268-H270 VanDerWaalsContact O-N 3.14Å; H270-R288 PolarHBondContact NE2-NH2 3.15Å
271	T	91.7	Very high	87.3	Confident	15 Å²	15	43.6 Å²	43.6	9%	0.092	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-99	137.8	178.5	-56.8	0	0	0	0	110.6	I210 H212 K217 L267 N268 I287	I210-T271 CarbonylContact O-C 3.55Å; I210-T271 WeakPolarHBondContact O-CA 3.27Å; H212-T271 HydrophobicContact CB-CG2 4.05Å; K217-T271 HydrophobicContact CD-CG2 3.94Å; K217-T271 HydrophobicContact CG-CG2 4.15Å; L267-T271 PolarHBondContact O-N 3.3Å; L267-T271 PolarHBondContact O-OG1 3.01Å; N268-T271 PolarHBondContact O-N 3.01Å; T271-I287 VanDerWaalsContact O-CG2 3.27Å; T271-I287 WeakPolarHBondContact O-CG2 3.48Å
272	T	90.9	Very high	87	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.031	27%	0.267	C	S	.	.			trans	-63.2	158.3	173.4	62.3	0	0	0	0	111.7	T205 I209 I210 L211 H212 V280 I281	T205-T272 HydrophobicContact CG2-CG2 4.17Å; I209-T272 HydrophobicContact CG2-CG2 3.52Å; I210-T272 PolarHBondContact O-N 3.35Å; L211-T272 HydrophobicContact CD2-CG2 4.3Å; H212-T272 WeakPolarHBondContact CB-O 3.31Å; H212-T272 PolarHBondContact N-OG1 2.84Å; H212-T272 PolarHBondContact ND1-OG1 3.47Å; T272-V280 HydrophobicContact CG2-CG1 4.41Å; T272-I281 VanDerWaalsContact CB-O 3.29Å; T272-I281 WeakPolarHBondContact CB-O 3.31Å
273	F	87.6	Confident	86.7	Confident	49 Å²	49	44.8 Å²	44.8	22%	0.215	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.6	171.7	74.6	-89.3	0	0	0	111.7	I281 L286 I287 N290	F273-I281 HydrophobicContact CD1-CB 4.06Å; F273-I281 HydrophobicContact CD1-CG2 4.24Å; F273-I281 HydrophobicContact CD2-CB 4.49Å; F273-I281 HydrophobicContact CD2-CG1 4.42Å; F273-I281 HydrophobicContact CE1-CB 3.72Å; F273-I281 HydrophobicContact CE1-CG1 4.23Å; F273-I281 HydrophobicContact CE1-CG2 3.55Å; F273-I281 HydrophobicContact CE2-CB 4.19Å; F273-I281 HydrophobicContact CE2-CG1 3.85Å; F273-I281 HydrophobicContact CG-CB 4.43Å; F273-I281 HydrophobicContact CZ-CB 3.79Å; F273-I281 HydrophobicContact CZ-CG1 3.75Å; F273-I281 HydrophobicContact CZ-CG2 3.8Å; F273-I281 PolarHBondContact N-O 2.99Å; F273-I281 PolarHBondContact O-N 3.19Å; F273-L286 HydrophobicContact CE1-CG 4.49Å; F273-L286 HydrophobicContact CZ-CG 4.32Å; F273-I287 HydrophobicContact CD1-CG1 3.93Å; F273-I287 HydrophobicContact CE1-CG1 4.12Å; F273-N290 HydrophobicContact CE1-CB 3.91Å; F273-N290 WeakPolarHBondContact CE2-ND2 3.08Å; F273-N290 HydrophobicContact CZ-CB 3.98Å; F273-N290 WeakPolarHBondContact CZ-ND2 3.27Å
274	V	86.5	Confident	86.5	Confident	47 Å²	47	43.9 Å²	43.9	29%	0.285	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.6	176.6	-176.6	0	0	0	0	108.9	R8 H212 E279	R8-V274 HydrophobicContact CB-CG1 4.45Å; H212-V274 VanDerWaalsContact CE1-CG2 3.49Å; H212-V274 WeakPolarHBondContact CE1-CG2 3.28Å; H212-V274 WeakPolarHBondContact NE2-CG2 3.45Å; V274-E279 CarbonylContact C-O 3.58Å; V274-E279 WeakPolarHBondContact CA-O 3.41Å
275	G	80.3	Confident	86.3	Confident	6 Å²	6	51.7 Å²	51.7	6%	0.062	29%	0.293	C	S	.	.			trans	-71.8	165.2	175.3	0	0	0	0	0	112.5	A277 G278 E279	G275-A277 PolarHBondContact O-N 3.46Å; G275-A277 VanDerWaalsContact O-N 3.13Å; G275-G278 PolarHBondContact O-N 2.78Å; G275-E279 PolarHBondContact N-O 3.28Å
276	P	77.8	Confident	86.2	Confident	145 Å²	145	54.5 Å²	54.5	94%	0.942	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.7	177.8	27.2	-35	0	0	0	113.3	G278	P276-G278 VanDerWaalsContact C-N 3.3Å
277	A	73.3	Confident	86.1	Confident	73 Å²	73	50.9 Å²	50.9	60%	0.603	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.3	172	0	0	0	0	0	114.1	G275 E279	G275-A277 PolarHBondContact O-N 3.46Å; G275-A277 VanDerWaalsContact O-N 3.13Å; A277-E279 HydrophobicContact CB-CG 4.36Å
278	G	68.5	Low	86.2	Confident	15 Å²	15	55 Å²	55	16%	0.155	30%	0.299	C	S	.	.	S	Bend	trans	93.7	-10.2	-176.5	0	0	0	0	0	115.2	R7 G9 G275 P276	R7-G278 WeakPolarHBondContact O-CA 3.41Å; G9-G278 PolarHBondContact N-O 2.84Å; G275-G278 PolarHBondContact O-N 2.78Å; P276-G278 VanDerWaalsContact C-N 3.3Å
279	E	79.4	Confident	86.1	Confident	110 Å²	110	59.8 Å²	59.8	51%	0.514	32%	0.323	S	S	.	.			trans	-66.5	151.6	178	67.9	-158.5	163.9	0	0	113.6	V274 G275 A277 I281	V274-E279 CarbonylContact C-O 3.58Å; V274-E279 WeakPolarHBondContact CA-O 3.41Å; G275-E279 PolarHBondContact N-O 3.28Å; A277-E279 HydrophobicContact CB-CG 4.36Å; E279-I281 HydrophobicContact CG-CD1 3.92Å
280	V	84.2	Confident	86	Confident	34 Å²	34	60.6 Å²	60.6	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	105.4	179.7	-179	0	0	0	0	111	V11 T272 S282	V11-V280 HydrophobicContact CG2-CB 4.15Å; V11-V280 HydrophobicContact CG2-CG1 4.47Å; V11-V280 HydrophobicContact CG2-CG2 3.67Å; T272-V280 HydrophobicContact CG2-CG1 4.41Å; V280-S282 PolarHBondContact O-N 2.98Å; V280-S282 PolarHBondContact O-OG 2.94Å
281	I	86.3	Confident	86	Confident	28 Å²	28	59 Å²	59	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.4	-179.2	-57.9	-57.7	0	0	0	110.2	T272 F273 E279 L286 I287	T272-I281 VanDerWaalsContact CB-O 3.29Å; T272-I281 WeakPolarHBondContact CB-O 3.31Å; F273-I281 HydrophobicContact CD1-CB 4.06Å; F273-I281 HydrophobicContact CD1-CG2 4.24Å; F273-I281 HydrophobicContact CD2-CB 4.49Å; F273-I281 HydrophobicContact CD2-CG1 4.42Å; F273-I281 HydrophobicContact CE1-CB 3.72Å; F273-I281 HydrophobicContact CE1-CG1 4.23Å; F273-I281 HydrophobicContact CE1-CG2 3.55Å; F273-I281 HydrophobicContact CE2-CB 4.19Å; F273-I281 HydrophobicContact CE2-CG1 3.85Å; F273-I281 HydrophobicContact CG-CB 4.43Å; F273-I281 HydrophobicContact CZ-CB 3.79Å; F273-I281 HydrophobicContact CZ-CG1 3.75Å; F273-I281 HydrophobicContact CZ-CG2 3.8Å; F273-I281 PolarHBondContact N-O 2.99Å; F273-I281 PolarHBondContact O-N 3.19Å; E279-I281 HydrophobicContact CG-CD1 3.92Å; I281-L286 HydrophobicContact CD1-CD2 4.38Å; I281-L286 HydrophobicContact CG2-CB 4.11Å; I281-L286 HydrophobicContact CG2-CD2 3.7Å; I281-L286 HydrophobicContact CG2-CG 3.91Å; I281-I287 HydrophobicContact CG2-CG1 4.46Å
282	S	84.9	Confident	86.1	Confident	39 Å²	39	63 Å²	63	27%	0.273	34%	0.341	S	S	.	.			trans	-122	8.1	-176.1	-55.4	0	0	0	0	114	I209 V280	I209-S282 WeakPolarHBondContact CD1-O 3.39Å; V280-S282 PolarHBondContact O-N 2.98Å; V280-S282 PolarHBondContact O-OG 2.94Å
283	D	87	Confident	86.1	Confident	78 Å²	78	71.5 Å²	71.5	42%	0.417	38%	0.378	S	S	.	.			trans	-81.1	119.7	172.8	173.9	3.7	0	0	0	110	K285 L286 I287	D283-K285 PolarHBondContact O-N 3.15Å; D283-K285 WeakPolarHBondContact OD1-CB 3.36Å; D283-K285 PolarHBondContact OD1-N 2.92Å; D283-L286 HydrophobicContact CB-CB 4.1Å; D283-L286 PolarHBondContact O-N 2.96Å; D283-I287 WeakPolarHBondContact O-CD1 3.49Å; D283-I287 VanDerWaalsContact O-CG1 3.3Å; D283-I287 WeakPolarHBondContact O-CG1 3.35Å; D283-I287 PolarHBondContact O-N 3.32Å
284	P	89.1	Confident	86.1	Confident	43 Å²	43	72.4 Å²	72.4	28%	0.279	39%	0.388	S	S	.	.	H	α-helix	trans	-59.6	-31.5	178.9	22.8	-31.4	0	0	0	113.3	I209 R288	I209-P284 HydrophobicContact CD1-CB 3.88Å; I209-P284 HydrophobicContact CD1-CG 4.18Å; P284-R288 VanDerWaalsContact O-CB 3.28Å; P284-R288 WeakPolarHBondContact O-CB 3.26Å; P284-R288 VanDerWaalsContact O-CD 3.25Å; P284-R288 WeakPolarHBondContact O-CD 3.38Å; P284-R288 WeakPolarHBondContact O-CG 3.46Å; P284-R288 PolarHBondContact O-N 2.83Å
285	K	90.3	Very high	86.2	Confident	168 Å²	168	74.1 Å²	74.1	73%	0.73	39%	0.389	S	S	*	.	H	α-helix	trans	-67	-46	178.2	-65.6	179.9	179	178.1	0	110.7	D283 R288 M289	D283-K285 PolarHBondContact O-N 3.15Å; D283-K285 WeakPolarHBondContact OD1-CB 3.36Å; D283-K285 PolarHBondContact OD1-N 2.92Å; K285-R288 PolarHBondContact O-N 3.38Å; K285-M289 WeakPolarHBondContact O-CB 3.36Å; K285-M289 PolarHBondContact O-N 2.97Å
286	L	89.8	Confident	86.7	Confident	66 Å²	66	76 Å²	76	35%	0.346	40%	0.395	S	S	.	.	H	α-helix	trans	-70.6	-38.6	-179.8	-171.9	53.2	0	0	0	112.1	F273 I281 D283 M289 N290	F273-L286 HydrophobicContact CE1-CG 4.49Å; F273-L286 HydrophobicContact CZ-CG 4.32Å; I281-L286 HydrophobicContact CD1-CD2 4.38Å; I281-L286 HydrophobicContact CG2-CB 4.11Å; I281-L286 HydrophobicContact CG2-CD2 3.7Å; I281-L286 HydrophobicContact CG2-CG 3.91Å; D283-L286 HydrophobicContact CB-CB 4.1Å; D283-L286 PolarHBondContact O-N 2.96Å; L286-M289 HydrophobicContact CD1-CE 3.96Å; L286-N290 WeakPolarHBondContact O-CB 3.47Å; L286-N290 PolarHBondContact O-N 3.32Å
287	I	91.8	Very high	87.4	Confident	4 Å²	4	74 Å²	74	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-56.5	-54.5	170.7	-70.4	161.3	0	0	0	110.4	I209 T271 F273 I281 D283 M289 N290 Y291	I209-I287 HydrophobicContact CD1-CD1 3.99Å; I209-I287 HydrophobicContact CG2-CD1 4.27Å; T271-I287 VanDerWaalsContact O-CG2 3.27Å; T271-I287 WeakPolarHBondContact O-CG2 3.48Å; F273-I287 HydrophobicContact CD1-CG1 3.93Å; F273-I287 HydrophobicContact CE1-CG1 4.12Å; I281-I287 HydrophobicContact CG2-CG1 4.46Å; D283-I287 WeakPolarHBondContact O-CD1 3.49Å; D283-I287 VanDerWaalsContact O-CG1 3.3Å; D283-I287 WeakPolarHBondContact O-CG1 3.35Å; D283-I287 PolarHBondContact O-N 3.32Å; I287-M289 PolarHBondContact O-N 2.71Å; I287-N290 PolarHBondContact O-N 3.25Å; I287-Y291 PolarHBondContact O-N 2.86Å
288	R	93.3	Very high	88.1	Confident	114 Å²	114	73.8 Å²	73.8	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-43	-176.9	-68.8	166.1	179.9	-174.7	-1	112	F269 H270 P284 K285 L292	F269-R288 HydrophobicContact CB-CG 4.48Å; F269-R288 HydrophobicContact CD1-CB 4.06Å; F269-R288 HydrophobicContact CD1-CG 3.8Å; F269-R288 HydrophobicContact CE1-CB 4.43Å; H270-R288 PolarHBondContact NE2-NH2 3.15Å; P284-R288 VanDerWaalsContact O-CB 3.28Å; P284-R288 WeakPolarHBondContact O-CB 3.26Å; P284-R288 VanDerWaalsContact O-CD 3.25Å; P284-R288 WeakPolarHBondContact O-CD 3.38Å; P284-R288 WeakPolarHBondContact O-CG 3.46Å; P284-R288 PolarHBondContact O-N 2.83Å; K285-R288 PolarHBondContact O-N 3.38Å; R288-L292 WeakPolarHBondContact O-CB 3.27Å; R288-L292 PolarHBondContact O-N 2.86Å
289	M	90.7	Very high	89.2	Confident	126 Å²	126	73.1 Å²	73.1	62%	0.621	36%	0.361	S	S	*	.	H	α-helix	trans	-66.8	-39.4	177.6	-174.6	171.2	63.8	0	0	112.6	K285 L286 I287 K293	K285-M289 WeakPolarHBondContact O-CB 3.36Å; K285-M289 PolarHBondContact O-N 2.97Å; L286-M289 HydrophobicContact CD1-CE 3.96Å; I287-M289 PolarHBondContact O-N 2.71Å; M289-K293 WeakPolarHBondContact O-CB 3.31Å; M289-K293 PolarHBondContact O-N 3.12Å; M289-K293 VanDerWaalsContact O-N 3.09Å
290	N	90.3	Very high	89.7	Confident	60 Å²	60	71.1 Å²	71.1	32%	0.321	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-47.6	176.7	-175.8	39.4	0	0	0	111.7	F273 L286 I287 K293 T294	F273-N290 HydrophobicContact CE1-CB 3.91Å; F273-N290 WeakPolarHBondContact CE2-ND2 3.08Å; F273-N290 HydrophobicContact CZ-CB 3.98Å; F273-N290 WeakPolarHBondContact CZ-ND2 3.27Å; L286-N290 WeakPolarHBondContact O-CB 3.47Å; L286-N290 PolarHBondContact O-N 3.32Å; I287-N290 PolarHBondContact O-N 3.25Å; N290-K293 PolarHBondContact O-N 2.82Å; N290-T294 WeakPolarHBondContact O-CB 3.23Å; N290-T294 WeakPolarHBondContact O-CG2 3.43Å; N290-T294 PolarHBondContact O-N 3.45Å; N290-T294 PolarHBondContact O-OG1 3.25Å
291	Y	92.3	Very high	89.9	Confident	14 Å²	14	73.5 Å²	73.5	6%	0.055	37%	0.365	C	S	.	.	H	α-helix	trans	-65.4	-40.9	178.2	177.1	-121.1	0	0	0	112.4	I265 N268 F269 I287 K293 T294 W295 F296 D299	I265-Y291 HydrophobicContact CG2-CE1 4.25Å; N268-Y291 HydrophobicContact CB-CD1 4.4Å; N268-Y291 HydrophobicContact CB-CD2 4.26Å; N268-Y291 HydrophobicContact CB-CE1 3.96Å; N268-Y291 HydrophobicContact CB-CE2 3.81Å; F269-Y291 AromaticContact CD1-CD1 3.56Å; F269-Y291 HydrophobicContact CD1-CD1 3.56Å; F269-Y291 HydrophobicContact CD1-CE1 4.16Å; F269-Y291 HydrophobicContact CD2-CD1 4.11Å; F269-Y291 AromaticContact CD2-CE1 3.86Å; F269-Y291 HydrophobicContact CD2-CE1 3.86Å; F269-Y291 AromaticContact CE1-CD1 3.57Å; F269-Y291 HydrophobicContact CE1-CD1 3.57Å; F269-Y291 HydrophobicContact CE1-CE1 4.12Å; F269-Y291 HydrophobicContact CE2-CD1 4.1Å; F269-Y291 AromaticContact CE2-CE1 3.79Å; F269-Y291 HydrophobicContact CE2-CE1 3.79Å; F269-Y291 AromaticContact CG-CD1 3.86Å; F269-Y291 HydrophobicContact CG-CD1 3.86Å; F269-Y291 HydrophobicContact CG-CE1 4.05Å; F269-Y291 AromaticContact CZ-CD1 3.84Å; F269-Y291 HydrophobicContact CZ-CD1 3.84Å; F269-Y291 AromaticContact CZ-CE1 3.94Å; F269-Y291 HydrophobicContact CZ-CE1 3.94Å; I287-Y291 PolarHBondContact O-N 2.86Å; Y291-K293 VanDerWaalsContact C-N 3.32Å; Y291-K293 PolarHBondContact O-N 2.84Å; Y291-T294 PolarHBondContact O-N 3.1Å; Y291-T294 PolarHBondContact O-OG1 2.86Å; Y291-W295 HydrophobicContact CD2-CB 4.07Å; Y291-W295 HydrophobicContact CE2-CB 3.89Å; Y291-W295 PolarHBondContact O-N 2.99Å; Y291-F296 HydrophobicContact CD1-CB 4.19Å; Y291-F296 HydrophobicContact CE1-CB 4.06Å; Y291-F296 AromaticContact CE1-CD2 3.97Å; Y291-F296 HydrophobicContact CE1-CD2 3.97Å; Y291-F296 HydrophobicContact CE1-CG 4.46Å; Y291-F296 WeakPolarHBondContact O-CB 3.35Å; Y291-F296 PolarHBondContact O-N 3.45Å; Y291-D299 WeakPolarHBondContact CE2-OD2 3.44Å; Y291-D299 WeakPolarHBondContact OH-CB 3.33Å; Y291-D299 PolarHBondContact OH-OD2 3.03Å
292	L	93.6	Very high	89.9	Confident	99 Å²	99	72.1 Å²	72.1	52%	0.518	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-38	176.7	-170.1	146.5	0	0	0	112.4	R288 F296	R288-L292 WeakPolarHBondContact O-CB 3.27Å; R288-L292 PolarHBondContact O-N 2.86Å; L292-F296 HydrophobicContact CD1-CD1 4.41Å; L292-F296 HydrophobicContact CG-CD1 4.06Å
293	K	91.4	Very high	90	Very high	183 Å²	183	70.6 Å²	70.6	80%	0.796	35%	0.347	S	S	*	.	H	α-helix	trans	-73.6	-22.6	177.3	-176.8	173.2	178.5	-179.3	0	114.2	M289 N290 Y291	M289-K293 WeakPolarHBondContact O-CB 3.31Å; M289-K293 PolarHBondContact O-N 3.12Å; M289-K293 VanDerWaalsContact O-N 3.09Å; N290-K293 PolarHBondContact O-N 2.82Å; Y291-K293 VanDerWaalsContact C-N 3.32Å; Y291-K293 PolarHBondContact O-N 2.84Å
294	T	87.3	Confident	89.8	Confident	69 Å²	69	69.8 Å²	69.8	42%	0.423	34%	0.342	S	S	.	.	H	α-helix	trans	-112.1	-57.6	-166.4	51.2	0	0	0	0	114.4	N290 Y291	N290-T294 WeakPolarHBondContact O-CB 3.23Å; N290-T294 WeakPolarHBondContact O-CG2 3.43Å; N290-T294 PolarHBondContact O-N 3.45Å; N290-T294 PolarHBondContact O-OG1 3.25Å; Y291-T294 PolarHBondContact O-N 3.1Å; Y291-T294 PolarHBondContact O-OG1 2.86Å
295	W	88.9	Confident	89.5	Confident	82 Å²	82	70.1 Å²	70.1	31%	0.311	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-22.2	-167.7	-68.2	96.9	0	0	0	114.3	Y291 V297 I298 D299 R366	Y291-W295 HydrophobicContact CD2-CB 4.07Å; Y291-W295 HydrophobicContact CE2-CB 3.89Å; Y291-W295 PolarHBondContact O-N 2.99Å; W295-V297 VanDerWaalsContact C-N 3.32Å; W295-V297 PolarHBondContact O-N 2.9Å; W295-I298 HydrophobicContact CE3-CD1 4.32Å; W295-I298 HydrophobicContact CZ3-CD1 4.48Å; W295-I298 PolarHBondContact O-N 3.36Å; W295-I298 VanDerWaalsContact O-N 3.14Å; W295-D299 WeakPolarHBondContact O-CB 3.38Å; W295-D299 PolarHBondContact O-N 3.04Å; W295-R366 HydrophobicContact CD2-CG 3.96Å; W295-R366 HydrophobicContact CE3-CG 4.37Å; W295-R366 HydrophobicContact CH2-CG 4.1Å; W295-R366 HydrophobicContact CZ2-CG 3.65Å; W295-R366 HydrophobicContact CZ3-CG 4.44Å
296	F	91.9	Very high	89	Confident	46 Å²	46	63 Å²	63	20%	0.202	31%	0.313	C	S	.	.	H	α-helix	trans	-52.2	-43.9	-174.8	173.1	-115.9	0	0	0	114.2	I265 F269 Y291 L292 I298 D299 L300	I265-F296 HydrophobicContact CG2-CD2 4.19Å; I265-F296 HydrophobicContact CG2-CE2 4.14Å; F269-F296 AromaticContact CE2-CD2 3.64Å; F269-F296 HydrophobicContact CE2-CD2 3.64Å; F269-F296 AromaticContact CE2-CE2 3.6Å; F269-F296 HydrophobicContact CE2-CE2 3.6Å; F269-F296 HydrophobicContact CE2-CZ 4.49Å; F269-F296 AromaticContact CZ-CD2 3.49Å; F269-F296 HydrophobicContact CZ-CD2 3.49Å; F269-F296 VanDerWaalsContact CZ-CD2 3.49Å; F269-F296 AromaticContact CZ-CE2 3.65Å; F269-F296 HydrophobicContact CZ-CE2 3.65Å; F269-F296 AromaticContact CZ-CG 4Å; F269-F296 HydrophobicContact CZ-CG 4Å; F269-F296 HydrophobicContact CZ-CZ 4.26Å; Y291-F296 HydrophobicContact CD1-CB 4.19Å; Y291-F296 HydrophobicContact CE1-CB 4.06Å; Y291-F296 AromaticContact CE1-CD2 3.97Å; Y291-F296 HydrophobicContact CE1-CD2 3.97Å; Y291-F296 HydrophobicContact CE1-CG 4.46Å; Y291-F296 WeakPolarHBondContact O-CB 3.35Å; Y291-F296 PolarHBondContact O-N 3.45Å; L292-F296 HydrophobicContact CD1-CD1 4.41Å; L292-F296 HydrophobicContact CG-CD1 4.06Å; F296-I298 PolarHBondContact O-N 3.17Å; F296-D299 PolarHBondContact O-N 3.5Å; F296-L300 HydrophobicContact CE1-CD2 4.2Å; F296-L300 HydrophobicContact CE2-CB 4.29Å; F296-L300 HydrophobicContact CE2-CD2 4.38Å; F296-L300 HydrophobicContact CZ-CD2 3.83Å; F296-L300 WeakPolarHBondContact O-CB 3.39Å; F296-L300 PolarHBondContact O-N 3.4Å
297	V	90.6	Very high	88.2	Confident	103 Å²	103	60.3 Å²	60.3	62%	0.624	30%	0.299	S	S	*	.	H	α-helix	trans	-64.1	-41.7	-177.7	-177.8	0	0	0	0	111.5	W295 L301	W295-V297 VanDerWaalsContact C-N 3.32Å; W295-V297 PolarHBondContact O-N 2.9Å; V297-L301 WeakPolarHBondContact O-CB 3.35Å; V297-L301 PolarHBondContact O-N 3.31Å; V297-L301 VanDerWaalsContact O-N 3.09Å
298	I	89.3	Confident	87.5	Confident	68 Å²	68	62.3 Å²	62.3	35%	0.349	31%	0.311	S	S	.	.	H	α-helix	trans	-69.7	-47.9	178	-56.4	174.2	0	0	0	109.7	W295 F296 L300 L301 S302 L359	W295-I298 HydrophobicContact CE3-CD1 4.32Å; W295-I298 HydrophobicContact CZ3-CD1 4.48Å; W295-I298 PolarHBondContact O-N 3.36Å; W295-I298 VanDerWaalsContact O-N 3.14Å; F296-I298 PolarHBondContact O-N 3.17Å; I298-L300 PolarHBondContact O-N 3.24Å; I298-L301 PolarHBondContact O-N 3.36Å; I298-S302 VanDerWaalsContact O-CB 3.28Å; I298-S302 WeakPolarHBondContact O-CB 3.11Å; I298-S302 PolarHBondContact O-N 2.96Å; I298-S302 PolarHBondContact O-OG 3.04Å; I298-L359 HydrophobicContact CG2-CB 4.01Å; I298-L359 HydrophobicContact CG2-CD1 4.41Å
299	D	90.5	Very high	86.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.011	31%	0.309	C	S	.	.	H	α-helix	trans	-57	-47.1	178.4	-86.6	16.8	0	0	0	111.6	I265 Y291 W295 F296 S302 C303 R363 R366	I265-D299 HydrophobicContact CD1-CB 4.11Å; I265-D299 HydrophobicContact CG1-CB 4.08Å; Y291-D299 WeakPolarHBondContact CE2-OD2 3.44Å; Y291-D299 WeakPolarHBondContact OH-CB 3.33Å; Y291-D299 PolarHBondContact OH-OD2 3.03Å; W295-D299 WeakPolarHBondContact O-CB 3.38Å; W295-D299 PolarHBondContact O-N 3.04Å; F296-D299 PolarHBondContact O-N 3.5Å; D299-S302 PolarHBondContact O-N 3.22Å; D299-S302 PolarHBondContact O-OG 2.83Å; D299-C303 PolarHBondContact O-N 3.17Å; D299-R363 VanDerWaalsContact CG-CZ 3.47Å; D299-R363 VanDerWaalsContact CG-NH1 3.32Å; D299-R363 IonicContact OD1-CZ 2.74Å; D299-R363 IonicContact OD1-NH1 3.62Å; D299-R363 IonicContact OD1-NH2 3.56Å; D299-R363 IonicContact OD2-CZ 3.24Å; D299-R363 IonicContact OD2-NH1 3.55Å; D299-R363 PolarHBondContact OD2-NH1 3.31Å; D299-R363 IonicContact OD2-NH2 3.63Å; D299-R363 PolarHBondContact OD2-NH2 3.24Å; D299-R366 IonicContact OD1-CZ 2.79Å; D299-R366 IonicContact OD1-NH2 2.6Å; D299-R366 PolarHBondContact OD1-NH2 3.4Å; D299-R366 IonicContact OD2-CZ 3.79Å; D299-R366 IonicContact OD2-NH2 2.67Å; D299-R366 PolarHBondContact OD2-NH2 3.08Å
300	L	90.1	Very high	85.7	Confident	68 Å²	68	56.1 Å²	56.1	36%	0.356	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-51.2	179.8	177.7	66.5	0	0	0	111.8	F296 I298 S302 C303	F296-L300 HydrophobicContact CE1-CD2 4.2Å; F296-L300 HydrophobicContact CE2-CB 4.29Å; F296-L300 HydrophobicContact CE2-CD2 4.38Å; F296-L300 HydrophobicContact CZ-CD2 3.83Å; F296-L300 WeakPolarHBondContact O-CB 3.39Å; F296-L300 PolarHBondContact O-N 3.4Å; I298-L300 PolarHBondContact O-N 3.24Å; L300-S302 PolarHBondContact O-N 3.24Å; L300-C303 PolarHBondContact O-N 3.12Å; L300-C303 PolarHBondContact O-SG 2.94Å
301	L	88.5	Confident	84.8	Confident	83 Å²	83	55.3 Å²	55.3	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-36.1	178.3	-161.3	81.8	0	0	0	110.8	V297 I298 C303 Y306 V356 L359	V297-L301 WeakPolarHBondContact O-CB 3.35Å; V297-L301 PolarHBondContact O-N 3.31Å; V297-L301 VanDerWaalsContact O-N 3.09Å; I298-L301 PolarHBondContact O-N 3.36Å; L301-C303 VanDerWaalsContact C-N 3.34Å; L301-C303 PolarHBondContact O-N 3.41Å; L301-Y306 PolarHBondContact O-OH 3.32Å; L301-V356 HydrophobicContact CB-CG1 4.45Å; L301-V356 HydrophobicContact CD2-CG1 3.78Å; L301-V356 HydrophobicContact CG-CG1 3.77Å; L301-V356 WeakPolarHBondContact O-CG1 3.45Å; L301-L359 HydrophobicContact CD2-CD1 4.05Å
302	S	87.1	Confident	83.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-71.5	-20.2	178.4	85.3	0	0	0	0	114.8	I298 D299 L300 R360	I298-S302 VanDerWaalsContact O-CB 3.28Å; I298-S302 WeakPolarHBondContact O-CB 3.11Å; I298-S302 PolarHBondContact O-N 2.96Å; I298-S302 PolarHBondContact O-OG 3.04Å; D299-S302 PolarHBondContact O-N 3.22Å; D299-S302 PolarHBondContact O-OG 2.83Å; L300-S302 PolarHBondContact O-N 3.24Å; S302-R360 PolarHBondContact O-NE 3.29Å; S302-R360 PolarHBondContact O-NH2 2.85Å
303	C	85.9	Confident	82.3	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.041	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	2.4	-171.7	83.5	0	0	0	0	114.9	F261 I265 D299 L300 L301	F261-C303 HydrophobicContact CB-CB 4.22Å; I265-C303 HydrophobicContact CD1-CB 4.06Å; I265-C303 WeakPolarHBondContact CD1-SG 3.05Å; D299-C303 PolarHBondContact O-N 3.17Å; L300-C303 PolarHBondContact O-N 3.12Å; L300-C303 PolarHBondContact O-SG 2.94Å; L301-C303 VanDerWaalsContact C-N 3.34Å; L301-C303 PolarHBondContact O-N 3.41Å
304	L	84.3	Confident	80.8	Confident	62 Å²	62	55.5 Å²	55.5	33%	0.325	29%	0.291	S	S	.	.			trans	-67.3	129.6	-178.6	-68.3	173.2	0	0	0	111.3	Y306	L304-Y306 VanDerWaalsContact C-N 3.26Å; L304-Y306 HydrophobicContact CB-CD1 4.47Å; L304-Y306 HydrophobicContact CB-CD2 4.34Å; L304-Y306 HydrophobicContact CB-CE1 4.04Å; L304-Y306 HydrophobicContact CB-CE2 3.89Å; L304-Y306 HydrophobicContact CD1-CE1 4.2Å; L304-Y306 WeakPolarHBondContact O-CD2 3.21Å; L304-Y306 PolarHBondContact O-N 2.88Å
305	P	82.4	Confident	79.3	Confident	49 Å²	49	56.2 Å²	56.2	32%	0.318	30%	0.296	S	S	.	.			trans	-83.8	65.2	-176.1	35.2	-36.9	0	0	0	111.4	D258 D307 V308 I309	D258-P305 HydrophobicContact CB-CB 4.49Å; P305-D307 PolarHBondContact O-N 2.79Å; P305-D307 VanDerWaalsContact O-N 3.13Å; P305-V308 HydrophobicContact CB-CB 4.23Å; P305-V308 HydrophobicContact CB-CG2 4.12Å; P305-V308 PolarHBondContact O-N 3.39Å; P305-I309 PolarHBondContact O-N 3.46Å
306	Y	78.7	Confident	77.4	Confident	20 Å²	20	57.6 Å²	57.6	8%	0.078	31%	0.309	C	S	.	.	H	α-helix	trans	-52.6	-36.2	-176.2	-59.8	-74	0	0	0	113.7	L301 L304 V308 I309 N310 L353 V356	L301-Y306 PolarHBondContact O-OH 3.32Å; L304-Y306 VanDerWaalsContact C-N 3.26Å; L304-Y306 HydrophobicContact CB-CD1 4.47Å; L304-Y306 HydrophobicContact CB-CD2 4.34Å; L304-Y306 HydrophobicContact CB-CE1 4.04Å; L304-Y306 HydrophobicContact CB-CE2 3.89Å; L304-Y306 HydrophobicContact CD1-CE1 4.2Å; L304-Y306 WeakPolarHBondContact O-CD2 3.21Å; L304-Y306 PolarHBondContact O-N 2.88Å; Y306-V308 VanDerWaalsContact C-N 3.32Å; Y306-V308 PolarHBondContact O-N 3.14Å; Y306-I309 PolarHBondContact O-N 2.86Å; Y306-N310 WeakPolarHBondContact O-CB 3.49Å; Y306-N310 PolarHBondContact O-N 2.9Å; Y306-L353 HydrophobicContact CD1-CB 4.36Å; Y306-L353 HydrophobicContact CE1-CB 4.3Å; Y306-L353 HydrophobicContact CE1-CD1 4.31Å; Y306-V356 HydrophobicContact CE2-CB 4.45Å
307	D	73.8	Confident	75.4	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-38.4	175.8	-72.6	-83.5	0	0	0	113.2	Q245 L251 P305 A311 K354 R357	Q245-D307 PolarHBondContact NE2-OD1 3.19Å; L251-D307 HydrophobicContact CD1-CB 3.59Å; P305-D307 PolarHBondContact O-N 2.79Å; P305-D307 VanDerWaalsContact O-N 3.13Å; D307-A311 VanDerWaalsContact O-CB 3.26Å; D307-A311 WeakPolarHBondContact O-CB 3.35Å; D307-A311 PolarHBondContact O-N 2.94Å; D307-K354 WeakPolarHBondContact OD1-CE 3.45Å; D307-K354 IonicContact OD1-NZ 2.75Å; D307-K354 PolarHBondContact OD1-NZ 2.82Å; D307-K354 IonicContact OD2-NZ 2.75Å; D307-R357 IonicContact OD2-CZ 3.16Å; D307-R357 VanDerWaalsContact OD2-CZ 3.24Å; D307-R357 IonicContact OD2-NH1 3.17Å; D307-R357 PolarHBondContact OD2-NH1 3.45Å; D307-R357 IonicContact OD2-NH2 3.12Å; D307-R357 PolarHBondContact OD2-NH2 3.14Å
308	V	76.1	Confident	73.2	Confident	45 Å²	45	59.7 Å²	59.7	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-74.8	-40.3	-178.9	179.8	0	0	0	0	110.4	P305 Y306 A311 F312	P305-V308 HydrophobicContact CB-CB 4.23Å; P305-V308 HydrophobicContact CB-CG2 4.12Å; P305-V308 PolarHBondContact O-N 3.39Å; Y306-V308 VanDerWaalsContact C-N 3.32Å; Y306-V308 PolarHBondContact O-N 3.14Å; V308-A311 PolarHBondContact O-N 3.46Å; V308-F312 HydrophobicContact CG1-CD2 3.88Å; V308-F312 HydrophobicContact CG1-CE2 3.61Å; V308-F312 VanDerWaalsContact O-CD2 3.24Å; V308-F312 WeakPolarHBondContact O-CD2 3.49Å; V308-F312 PolarHBondContact O-N 3.25Å; V308-F312 VanDerWaalsContact O-N 3.12Å
309	I	77	Confident	71.2	Confident	77 Å²	77	59.8 Å²	59.8	40%	0.395	33%	0.326	S	S	.	.	H	α-helix	trans	-59.6	-53.4	176.3	-61.6	169.8	0	0	0	109.7	P305 Y306 A311 F312 E313	P305-I309 PolarHBondContact O-N 3.46Å; Y306-I309 PolarHBondContact O-N 2.86Å; I309-A311 VanDerWaalsContact C-N 3.28Å; I309-A311 PolarHBondContact O-N 3.22Å; I309-F312 PolarHBondContact O-N 2.96Å; I309-F312 VanDerWaalsContact O-N 3.16Å; I309-E313 PolarHBondContact O-N 3.08Å
310	N	70.8	Confident	69.2	Low	34 Å²	34	63.7 Å²	63.7	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-37	176.6	178.4	83.1	0	0	0	111.9	Y306 F312 E313 N314 S347	Y306-N310 WeakPolarHBondContact O-CB 3.49Å; Y306-N310 PolarHBondContact O-N 2.9Å; N310-F312 VanDerWaalsContact C-N 3.32Å; N310-F312 PolarHBondContact O-N 3.16Å; N310-E313 PolarHBondContact O-N 3.41Å; N310-N314 PolarHBondContact ND2-ND2 3.47Å; N310-N314 PolarHBondContact O-N 3Å; N310-N314 PolarHBondContact O-ND2 3.48Å; N310-N314 PolarHBondContact OD1-ND2 3.28Å; N310-N314 VanDerWaalsContact OD1-ND2 3.15Å; N310-S347 WeakPolarHBondContact OD1-CB 3.47Å
311	A	69.5	Low	67.1	Low	42 Å²	42	69.7 Å²	69.7	35%	0.347	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-30.9	177.7	0	0	0	0	0	113.9	D307 V308 I309 V315	D307-A311 VanDerWaalsContact O-CB 3.26Å; D307-A311 WeakPolarHBondContact O-CB 3.35Å; D307-A311 PolarHBondContact O-N 2.94Å; V308-A311 PolarHBondContact O-N 3.46Å; I309-A311 VanDerWaalsContact C-N 3.28Å; I309-A311 PolarHBondContact O-N 3.22Å; A311-V315 WeakPolarHBondContact O-CG2 3.16Å
312	F	68.9	Low	65	Low	145 Å²	145	73.5 Å²	73.5	64%	0.636	40%	0.399	S	S	*	.	H	α-helix	trans	-80.7	-42.8	173.4	-76.6	-66.8	0	0	0	112.4	V308 I309 N310 N314 V315 D316	V308-F312 HydrophobicContact CG1-CD2 3.88Å; V308-F312 HydrophobicContact CG1-CE2 3.61Å; V308-F312 VanDerWaalsContact O-CD2 3.24Å; V308-F312 WeakPolarHBondContact O-CD2 3.49Å; V308-F312 PolarHBondContact O-N 3.25Å; V308-F312 VanDerWaalsContact O-N 3.12Å; I309-F312 PolarHBondContact O-N 2.96Å; I309-F312 VanDerWaalsContact O-N 3.16Å; N310-F312 VanDerWaalsContact C-N 3.32Å; N310-F312 PolarHBondContact O-N 3.16Å; F312-N314 VanDerWaalsContact C-N 3.29Å; F312-N314 PolarHBondContact O-N 2.67Å; F312-V315 WeakPolarHBondContact O-CA 3.43Å; F312-V315 WeakPolarHBondContact O-CB 3.5Å; F312-V315 PolarHBondContact O-N 2.84Å; F312-D316 PolarHBondContact O-N 2.89Å
313	E	65.8	Low	62.8	Low	93 Å²	93	76.5 Å²	76.5	44%	0.435	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-37	-177.8	-164.7	167.8	-144.4	0	0	112.4	I309 N310 V315 D316 F350	I309-E313 PolarHBondContact O-N 3.08Å; N310-E313 PolarHBondContact O-N 3.41Å; E313-V315 VanDerWaalsContact C-N 3.28Å; E313-V315 PolarHBondContact O-N 2.92Å; E313-D316 PolarHBondContact O-N 2.76Å; E313-F350 WeakPolarHBondContact OE2-CE2 3.49Å
314	N	59	Low	60.9	Low	62 Å²	62	82.1 Å²	82.1	33%	0.332	46%	0.46	S	S	.	.	H	α-helix	trans	-72.7	-14	173.9	-74	-100.4	0	0	0	113.8	N310 F312 V318	N310-N314 PolarHBondContact ND2-ND2 3.47Å; N310-N314 PolarHBondContact O-N 3Å; N310-N314 PolarHBondContact O-ND2 3.48Å; N310-N314 PolarHBondContact OD1-ND2 3.28Å; N310-N314 VanDerWaalsContact OD1-ND2 3.15Å; F312-N314 VanDerWaalsContact C-N 3.29Å; F312-N314 PolarHBondContact O-N 2.67Å; N314-V318 WeakPolarHBondContact O-CG2 3.49Å
315	V	55.2	Low	58.9	Low	85 Å²	85	85.8 Å²	85.8	52%	0.515	49%	0.487	S	S	.	.	H	α-helix	trans	-86.1	-32.8	175.3	171	0	0	0	0	110.9	A311 F312 E313 V318 S319	A311-V315 WeakPolarHBondContact O-CG2 3.16Å; F312-V315 WeakPolarHBondContact O-CA 3.43Å; F312-V315 WeakPolarHBondContact O-CB 3.5Å; F312-V315 PolarHBondContact O-N 2.84Å; E313-V315 VanDerWaalsContact C-N 3.28Å; E313-V315 PolarHBondContact O-N 2.92Å; V315-V318 PolarHBondContact O-N 3.06Å; V315-S319 PolarHBondContact O-N 3.31Å
316	D	50.7	Low	57.2	Low	110 Å²	110	86 Å²	86	59%	0.588	50%	0.499	S	S	*	.	H	α-helix	trans	-66.8	-41.5	175.9	-71.8	-26.1	0	0	0	111.5	F312 E313 V318 S319 A320	F312-D316 PolarHBondContact O-N 2.89Å; E313-D316 PolarHBondContact O-N 2.76Å; D316-V318 VanDerWaalsContact C-N 3.31Å; D316-V318 PolarHBondContact O-N 2.85Å; D316-S319 PolarHBondContact O-N 3.45Å; D316-S319 PolarHBondContact O-OG 3.49Å; D316-A320 WeakPolarHBondContact O-CB 3.33Å; D316-A320 PolarHBondContact O-N 3.08Å
317	E	49.5	Very low	55.3	Low	101 Å²	101	94.2 Å²	94.2	47%	0.472	54%	0.535	S	S	.	.	H	α-helix	trans	-56.4	-41.5	169.9	-91.2	-167	149.6	0	0	112.4	F321 S343	E317-F321 PolarHBondContact O-N 3.43Å; E317-S343 WeakPolarHBondContact OE1-CB 3.22Å; E317-S343 PolarHBondContact OE1-OG 3.39Å
318	V	44.6	Very low	54	Low	93 Å²	93	102.5 Å²	102.5	56%	0.564	58%	0.577	S	S	*	*	H	α-helix	trans	-72.9	-37.4	-179.4	172.2	0	0	0	0	111.9	N314 V315 D316 F321 M322	N314-V318 WeakPolarHBondContact O-CG2 3.49Å; V315-V318 PolarHBondContact O-N 3.06Å; D316-V318 VanDerWaalsContact C-N 3.31Å; D316-V318 PolarHBondContact O-N 2.85Å; V318-F321 WeakPolarHBondContact O-CB 3.34Å; V318-F321 PolarHBondContact O-N 3.21Å; V318-F321 VanDerWaalsContact O-N 3.17Å; V318-M322 PolarHBondContact O-N 3.02Å
319	S	46	Very low	52.1	Low	70 Å²	70	103.7 Å²	103.7	49%	0.49	60%	0.599	S	S	.	*	H	α-helix	trans	-68.5	-34.9	176	75.3	0	0	0	0	112.2	V315 D316 F321 M322	V315-S319 PolarHBondContact O-N 3.31Å; D316-S319 PolarHBondContact O-N 3.45Å; D316-S319 PolarHBondContact O-OG 3.49Å; S319-F321 PolarHBondContact O-N 3.41Å; S319-M322 PolarHBondContact O-N 3.2Å
320	A	49	Very low	50.5	Low	83 Å²	83	110.5 Å²	110.5	69%	0.686	63%	0.626	S	S	*	*	H	α-helix	trans	-64.6	-26.8	171	0	0	0	0	0	112.8	D316	D316-A320 WeakPolarHBondContact O-CB 3.33Å; D316-A320 PolarHBondContact O-N 3.08Å
321	F	45.8	Very low	48.8	Very low	194 Å²	194	113.9 Å²	113.9	85%	0.851	66%	0.659	S	S	*	*	H	α-helix	trans	-80.2	-22.6	175.3	-126.3	-83.7	0	0	0	113.7	E317 V318 S319 G323	E317-F321 PolarHBondContact O-N 3.43Å; V318-F321 WeakPolarHBondContact O-CB 3.34Å; V318-F321 PolarHBondContact O-N 3.21Å; V318-F321 VanDerWaalsContact O-N 3.17Å; S319-F321 PolarHBondContact O-N 3.41Å; F321-G323 VanDerWaalsContact C-N 3.29Å; F321-G323 PolarHBondContact O-N 2.89Å; F321-G323 VanDerWaalsContact O-N 3.1Å
322	M	45.2	Very low	47.5	Very low	163 Å²	163	118.2 Å²	118.2	80%	0.803	68%	0.676	S	S	*	*	S	Bend	trans	-84.2	70.9	171.2	-80.8	-163.8	164.4	0	0	111.5	V318 S319	V318-M322 PolarHBondContact O-N 3.02Å; S319-M322 PolarHBondContact O-N 3.2Å
323	G	41.2	Very low	46.3	Very low	64 Å²	64	119.1 Å²	119.1	66%	0.66	68%	0.682	S	S	*	*			trans	-58.1	138.6	174.5	0	0	0	0	0	113.7	F321	F321-G323 VanDerWaalsContact C-N 3.29Å; F321-G323 PolarHBondContact O-N 2.89Å; F321-G323 VanDerWaalsContact O-N 3.1Å
324	D	44.7	Very low	45	Very low	124 Å²	124	122.3 Å²	122.3	66%	0.663	70%	0.7	S	S	*	*			trans	-31.8	122.8	174.9	175.4	31.4	0	0	0	114.8	G326	D324-G326 PolarHBondContact O-N 3.4Å
325	P	43.8	Very low	44.1	Very low	138 Å²	138	124.8 Å²	124.8	90%	0.896	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	25.3	-177.7	32.9	-37.9	0	0	0	114.2
326	G	45.2	Very low	43.5	Very low	55 Å²	55	126.2 Å²	126.2	57%	0.567	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-3.2	-167.4	0	0	0	0	0	117.2	D324	D324-G326 PolarHBondContact O-N 3.4Å
327	K	39	Very low	42.7	Very low	191 Å²	191	125.9 Å²	125.9	83%	0.83	74%	0.735	S	S	*	*			trans	-132.5	100.8	-173.6	-72.4	-178.3	-178.3	169.5	0	114.9
328	I	47	Very low	42.3	Very low	183 Å²	183	129.5 Å²	129.5	94%	0.938	76%	0.757	S	S	*	*			trans	-86	118.7	162	-59.9	170.6	0	0	0	107.7
329	G	35.9	Very low	42	Very low	70 Å²	70	132.8 Å²	132.8	72%	0.722	77%	0.766	S	S	*	*			trans	-169.8	117.4	-179.3	0	0	0	0	0	114	A331	G329-A331 PolarHBondContact O-N 3.45Å
330	F	44.2	Very low	41.5	Very low	221 Å²	221	132.5 Å²	132.5	97%	0.969	77%	0.774	S	S	*	*			trans	-47.2	123.3	179.5	-79.6	-110.2	0	0	0	115.3
331	A	34.9	Very low	41	Very low	105 Å²	105	138.5 Å²	138.5	87%	0.868	78%	0.779	S	S	*	*			trans	-156.8	146.8	144.3	0	0	0	0	0	108.7	G329	G329-A331 PolarHBondContact O-N 3.45Å
332	D	42.4	Very low	40.9	Very low	132 Å²	132	137 Å²	137	71%	0.706	77%	0.774	S	S	*	*			trans	-123.4	158.1	-177.8	-170.5	24.5	0	0	0	111.1
333	Q	43.1	Very low	40.8	Very low	165 Å²	165	131.2 Å²	131.2	77%	0.771	75%	0.75	S	S	*	*			trans	51.1	76.9	166.2	-72.1	167.8	67.2	0	0	118.6
334	I	38.3	Very low	41.2	Very low	159 Å²	159	134.8 Å²	134.8	82%	0.815	75%	0.749	S	S	*	*			trans	-138.7	124.8	143.9	-52.8	-180	0	0	0	109
335	P	40.8	Very low	41.6	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-74.9	138.3	169.2	31.2	-32.9	0	0	0	110.6
336	P	41.9	Very low	42.3	Very low	116 Å²	116	128 Å²	128	75%	0.753	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-66.7	150.3	-178.5	27.5	-34.8	0	0	0	112.4
337	P	34.3	Very low	43.1	Very low	102 Å²	102	127 Å²	127	66%	0.662	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-60.7	158.5	176.5	-24.1	34.8	0	0	0	114.4	E339	P337-E339 PolarHBondContact O-N 2.94Å
338	L	41.7	Very low	44.3	Very low	178 Å²	178	121.7 Å²	121.7	93%	0.932	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	46.7	-179.1	-75.3	165.2	0	0	0	113.8
339	E	38.1	Very low	45.1	Very low	162 Å²	162	118.3 Å²	118.3	76%	0.757	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-11	-178.3	-72.2	178.7	139.2	0	0	114.1	P337 R341	P337-E339 PolarHBondContact O-N 2.94Å; E339-R341 PolarHBondContact O-N 3.31Å
340	G	34.8	Very low	46.6	Very low	64 Å²	64	117.6 Å²	117.6	66%	0.66	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	26.8	176.7	0	0	0	0	0	116
341	R	38.5	Very low	47.7	Very low	208 Å²	208	109.6 Å²	109.6	79%	0.785	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-14.7	-175.1	-157.8	170.3	-175.9	-179.7	-1.6	114.3	E339	E339-R341 PolarHBondContact O-N 3.31Å
342	E	42.9	Very low	49.4	Very low	163 Å²	163	107.7 Å²	107.7	76%	0.762	60%	0.596	S	S	*	*	S	Bend	trans	-80.4	-38.5	-177.8	-58.8	-159.6	147.1	0	0	113.1	Q344 G345 I346	E342-Q344 VanDerWaalsContact C-N 3.31Å; E342-Q344 PolarHBondContact O-N 2.86Å; E342-G345 WeakPolarHBondContact O-CA 3.46Å; E342-G345 PolarHBondContact O-N 3.35Å; E342-I346 PolarHBondContact O-N 3.38Å
343	S	43.8	Very low	51.1	Low	41 Å²	41	104.6 Å²	104.6	29%	0.287	58%	0.58	S	S	.	*	H	α-helix	trans	-66.1	-28.7	-179.9	57.2	0	0	0	0	114	E317 G345 I346 S347	E317-S343 WeakPolarHBondContact OE1-CB 3.22Å; E317-S343 PolarHBondContact OE1-OG 3.39Å; S343-G345 VanDerWaalsContact C-N 3.25Å; S343-G345 PolarHBondContact O-N 2.94Å; S343-I346 PolarHBondContact O-N 2.92Å; S343-S347 PolarHBondContact O-N 2.88Å; S343-S347 PolarHBondContact O-OG 3.47Å
344	Q	49.2	Very low	52.9	Low	139 Å²	139	98 Å²	98	65%	0.65	55%	0.548	S	S	*	.	H	α-helix	trans	-65.4	-27	169.3	-67.4	-170.3	1.7	0	0	113.1	E342 S347	E342-Q344 VanDerWaalsContact C-N 3.31Å; E342-Q344 PolarHBondContact O-N 2.86Å; Q344-S347 PolarHBondContact O-OG 2.76Å
345	G	53.2	Low	55	Low	35 Å²	35	94 Å²	94	36%	0.361	53%	0.531	S	S	.	.	H	α-helix	trans	-69.3	-42.9	170.7	0	0	0	0	0	111.7	E342 S343 S348 L349	E342-G345 WeakPolarHBondContact O-CA 3.46Å; E342-G345 PolarHBondContact O-N 3.35Å; S343-G345 VanDerWaalsContact C-N 3.25Å; S343-G345 PolarHBondContact O-N 2.94Å; G345-S348 WeakPolarHBondContact O-CB 3.47Å; G345-S348 PolarHBondContact O-N 3.01Å; G345-L349 WeakPolarHBondContact O-CG 3.49Å; G345-L349 PolarHBondContact O-N 2.84Å
346	I	59.3	Low	57.2	Low	84 Å²	84	90.1 Å²	90.1	43%	0.431	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-48.3	-177.3	-62.6	173.8	0	0	0	111.5	E342 S343 S348 L349 F350	E342-I346 PolarHBondContact O-N 3.38Å; S343-I346 PolarHBondContact O-N 2.92Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 2.97Å; I346-L349 WeakPolarHBondContact O-CB 3.48Å; I346-L349 PolarHBondContact O-N 2.89Å; I346-L349 VanDerWaalsContact O-N 3.17Å; I346-F350 HydrophobicContact CG2-CD2 3.76Å; I346-F350 HydrophobicContact CG2-CE2 3.56Å; I346-F350 WeakPolarHBondContact O-CD2 3.42Å; I346-F350 PolarHBondContact O-N 2.75Å
347	S	61.3	Low	59.3	Low	34 Å²	34	85 Å²	85	24%	0.238	47%	0.471	C	S	.	.	H	α-helix	trans	-64.1	-33.8	177.3	55.5	0	0	0	0	113.2	N310 S343 Q344 F350 S351	N310-S347 WeakPolarHBondContact OD1-CB 3.47Å; S343-S347 PolarHBondContact O-N 2.88Å; S343-S347 PolarHBondContact O-OG 3.47Å; Q344-S347 PolarHBondContact O-OG 2.76Å; S347-F350 PolarHBondContact O-N 3.09Å; S347-S351 PolarHBondContact O-N 3.5Å
348	S	64.1	Low	61.8	Low	81 Å²	81	82 Å²	82	57%	0.566	45%	0.449	S	S	*	.	H	α-helix	trans	-64.9	-42.7	172.3	-169.6	0	0	0	0	112.1	G345 I346 S351 S352	G345-S348 WeakPolarHBondContact O-CB 3.47Å; G345-S348 PolarHBondContact O-N 3.01Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 2.97Å; S348-S351 PolarHBondContact O-N 2.91Å; S348-S351 VanDerWaalsContact O-N 3.16Å; S348-S352 PolarHBondContact O-N 2.86Å; S348-S352 VanDerWaalsContact O-N 3.12Å
349	L	63.8	Low	64	Low	112 Å²	112	77.2 Å²	77.2	59%	0.586	42%	0.424	S	S	*	.	H	α-helix	trans	-64.9	-41.1	175	-69	168.5	0	0	0	112	G345 I346 S351 S352 L353	G345-L349 WeakPolarHBondContact O-CG 3.49Å; G345-L349 PolarHBondContact O-N 2.84Å; I346-L349 WeakPolarHBondContact O-CB 3.48Å; I346-L349 PolarHBondContact O-N 2.89Å; I346-L349 VanDerWaalsContact O-N 3.17Å; L349-S351 PolarHBondContact O-N 3.28Å; L349-S352 PolarHBondContact O-N 2.91Å; L349-S352 VanDerWaalsContact O-N 3.11Å; L349-S352 PolarHBondContact O-OG 2.67Å; L349-L353 PolarHBondContact O-N 2.74Å; L349-L353 VanDerWaalsContact O-N 3.12Å
350	F	67.1	Low	66.3	Low	55 Å²	55	69.5 Å²	69.5	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-31.6	172	-80.7	-61.5	0	0	0	112.8	E313 I346 S347 L353	E313-F350 WeakPolarHBondContact OE2-CE2 3.49Å; I346-F350 HydrophobicContact CG2-CD2 3.76Å; I346-F350 HydrophobicContact CG2-CE2 3.56Å; I346-F350 WeakPolarHBondContact O-CD2 3.42Å; I346-F350 PolarHBondContact O-N 2.75Å; S347-F350 PolarHBondContact O-N 3.09Å; F350-L353 HydrophobicContact CD1-CD1 3.83Å; F350-L353 HydrophobicContact CE1-CD1 4.2Å
351	S	67.6	Low	68.7	Low	53 Å²	53	68.7 Å²	68.7	37%	0.371	37%	0.368	S	S	.	.	H	α-helix	trans	-73.1	-24	173.6	-164.8	0	0	0	0	114	S347 S348 L349 K354	S347-S351 PolarHBondContact O-N 3.5Å; S348-S351 PolarHBondContact O-N 2.91Å; S348-S351 VanDerWaalsContact O-N 3.16Å; L349-S351 PolarHBondContact O-N 3.28Å; S351-K354 WeakPolarHBondContact O-CG 3.11Å
352	S	71.9	Confident	70.8	Confident	64 Å²	64	59.7 Å²	59.7	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-80.4	-30.5	174.1	78.4	0	0	0	0	112.4	S348 L349 K354 V355	S348-S352 PolarHBondContact O-N 2.86Å; S348-S352 VanDerWaalsContact O-N 3.12Å; L349-S352 PolarHBondContact O-N 2.91Å; L349-S352 VanDerWaalsContact O-N 3.11Å; L349-S352 PolarHBondContact O-OG 2.67Å; S352-K354 PolarHBondContact O-N 3.42Å; S352-V355 WeakPolarHBondContact O-CB 3.28Å; S352-V355 WeakPolarHBondContact O-CG2 3.38Å; S352-V355 PolarHBondContact O-N 3.23Å; S352-V355 VanDerWaalsContact O-N 3.1Å
353	L	77.5	Confident	72.7	Confident	68 Å²	68	52.5 Å²	52.5	36%	0.356	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58	-17	173	-74.4	173.8	0	0	0	113.9	Y306 L349 F350 V355 V356	Y306-L353 HydrophobicContact CD1-CB 4.36Å; Y306-L353 HydrophobicContact CE1-CB 4.3Å; Y306-L353 HydrophobicContact CE1-CD1 4.31Å; L349-L353 PolarHBondContact O-N 2.74Å; L349-L353 VanDerWaalsContact O-N 3.12Å; F350-L353 HydrophobicContact CD1-CD1 3.83Å; F350-L353 HydrophobicContact CE1-CD1 4.2Å; L353-V355 PolarHBondContact O-N 2.83Å; L353-V355 VanDerWaalsContact O-N 3.11Å; L353-V356 HydrophobicContact CD2-CG2 4.37Å; L353-V356 WeakPolarHBondContact O-CB 3.34Å; L353-V356 VanDerWaalsContact O-CG2 3.24Å; L353-V356 WeakPolarHBondContact O-CG2 3.42Å; L353-V356 PolarHBondContact O-N 3.11Å
354	K	80.1	Confident	74.6	Confident	27 Å²	27	51.9 Å²	51.9	12%	0.117	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-54.3	-28.7	171.8	-63.8	-179.2	-172.2	-177.7	0	113.2	V235 V239 D307 S351 S352 V356 R357	V235-K354 VanDerWaalsContact CG1-O 3.27Å; V235-K354 WeakPolarHBondContact CG1-O 3.4Å; V239-K354 HydrophobicContact CG2-CB 4.24Å; D307-K354 WeakPolarHBondContact OD1-CE 3.45Å; D307-K354 IonicContact OD1-NZ 2.75Å; D307-K354 PolarHBondContact OD1-NZ 2.82Å; D307-K354 IonicContact OD2-NZ 2.75Å; S351-K354 WeakPolarHBondContact O-CG 3.11Å; S352-K354 PolarHBondContact O-N 3.42Å; K354-V356 PolarHBondContact O-N 3.25Å; K354-V356 VanDerWaalsContact O-N 3.16Å; K354-R357 VanDerWaalsContact O-CB 3.3Å; K354-R357 WeakPolarHBondContact O-CB 3.36Å; K354-R357 WeakPolarHBondContact O-CG 3.48Å; K354-R357 PolarHBondContact O-N 3.29Å
355	V	83.8	Confident	76	Confident	75 Å²	75	48 Å²	48	46%	0.455	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-55.7	-29.3	174.9	175.1	0	0	0	0	112	V239 S352 L353 R357 L358	V239-V355 HydrophobicContact CG1-CG2 4.35Å; V239-V355 HydrophobicContact CG2-CG2 4.23Å; S352-V355 WeakPolarHBondContact O-CB 3.28Å; S352-V355 WeakPolarHBondContact O-CG2 3.38Å; S352-V355 PolarHBondContact O-N 3.23Å; S352-V355 VanDerWaalsContact O-N 3.1Å; L353-V355 PolarHBondContact O-N 2.83Å; L353-V355 VanDerWaalsContact O-N 3.11Å; V355-R357 PolarHBondContact O-N 2.99Å; V355-R357 VanDerWaalsContact O-N 3.16Å; V355-L358 HydrophobicContact CG1-CD1 4.11Å; V355-L358 VanDerWaalsContact O-CB 3.3Å; V355-L358 WeakPolarHBondContact O-CB 3.29Å; V355-L358 WeakPolarHBondContact O-CG 3.25Å; V355-L358 PolarHBondContact O-N 3.46Å
356	V	86.6	Confident	77	Confident	32 Å²	32	49.4 Å²	49.4	19%	0.194	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.1	-25.4	176.2	-179.9	0	0	0	0	112.5	L301 Y306 L353 K354 L358 L359	L301-V356 HydrophobicContact CB-CG1 4.45Å; L301-V356 HydrophobicContact CD2-CG1 3.78Å; L301-V356 HydrophobicContact CG-CG1 3.77Å; L301-V356 WeakPolarHBondContact O-CG1 3.45Å; Y306-V356 HydrophobicContact CE2-CB 4.45Å; L353-V356 HydrophobicContact CD2-CG2 4.37Å; L353-V356 WeakPolarHBondContact O-CB 3.34Å; L353-V356 VanDerWaalsContact O-CG2 3.24Å; L353-V356 WeakPolarHBondContact O-CG2 3.42Å; L353-V356 PolarHBondContact O-N 3.11Å; K354-V356 PolarHBondContact O-N 3.25Å; K354-V356 VanDerWaalsContact O-N 3.16Å; V356-L358 PolarHBondContact O-N 2.89Å; V356-L358 VanDerWaalsContact O-N 3.12Å; V356-L359 HydrophobicContact CG1-CD1 3.95Å; V356-L359 WeakPolarHBondContact O-CB 3.07Å; V356-L359 WeakPolarHBondContact O-CG 3.28Å; V356-L359 PolarHBondContact O-N 3.28Å
357	R	86.3	Confident	77.7	Confident	8 Å²	8	48.3 Å²	48.3	3%	0.03	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59.9	-21.1	173	-66.6	-169.2	171.7	124.1	-2.7	112.8	V235 D258 D307 K354 V355 L359 R360	V235-R357 HydrophobicContact CG2-CB 3.97Å; D258-R357 IonicContact OD1-NE 3.59Å; D258-R357 PolarHBondContact OD1-NE 2.9Å; D258-R357 IonicContact OD2-CZ 2.67Å; D258-R357 IonicContact OD2-NE 3.71Å; D258-R357 PolarHBondContact OD2-NE 3.45Å; D258-R357 IonicContact OD2-NH2 2.67Å; D258-R357 PolarHBondContact OD2-NH2 3.4Å; D307-R357 IonicContact OD2-CZ 3.16Å; D307-R357 VanDerWaalsContact OD2-CZ 3.24Å; D307-R357 IonicContact OD2-NH1 3.17Å; D307-R357 PolarHBondContact OD2-NH1 3.45Å; D307-R357 IonicContact OD2-NH2 3.12Å; D307-R357 PolarHBondContact OD2-NH2 3.14Å; K354-R357 VanDerWaalsContact O-CB 3.3Å; K354-R357 WeakPolarHBondContact O-CB 3.36Å; K354-R357 WeakPolarHBondContact O-CG 3.48Å; K354-R357 PolarHBondContact O-N 3.29Å; V355-R357 PolarHBondContact O-N 2.99Å; V355-R357 VanDerWaalsContact O-N 3.16Å; R357-L359 PolarHBondContact O-N 3.07Å; R357-R360 VanDerWaalsContact O-CB 3.23Å; R357-R360 WeakPolarHBondContact O-CB 3.3Å; R357-R360 VanDerWaalsContact O-CD 3.32Å; R357-R360 WeakPolarHBondContact O-CD 3.49Å; R357-R360 WeakPolarHBondContact O-CG 3.34Å; R357-R360 PolarHBondContact O-N 3.4Å; R357-R360 VanDerWaalsContact O-N 3.13Å
358	L	86.5	Confident	78.5	Confident	39 Å²	39	49.7 Å²	49.7	20%	0.204	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.6	-19.1	175	-66.1	166.5	0	0	0	113.1	V235 P236 V355 V356 R360 L361 W392	V235-L358 HydrophobicContact CG1-CG 4.35Å; P236-L358 HydrophobicContact CG-CD1 4.41Å; P236-L358 HydrophobicContact CG-CD2 4.07Å; V355-L358 HydrophobicContact CG1-CD1 4.11Å; V355-L358 VanDerWaalsContact O-CB 3.3Å; V355-L358 WeakPolarHBondContact O-CB 3.29Å; V355-L358 WeakPolarHBondContact O-CG 3.25Å; V355-L358 PolarHBondContact O-N 3.46Å; V356-L358 PolarHBondContact O-N 2.89Å; V356-L358 VanDerWaalsContact O-N 3.12Å; L358-R360 PolarHBondContact O-N 3.29Å; L358-R360 VanDerWaalsContact O-N 3.08Å; L358-L361 HydrophobicContact CD2-CD1 4.33Å; L358-L361 WeakPolarHBondContact O-CD1 3.5Å; L358-L361 PolarHBondContact O-N 3.31Å; L358-L361 VanDerWaalsContact O-N 3.12Å; L358-W392 HydrophobicContact CD2-CH2 4.45Å; L358-W392 HydrophobicContact CD2-CZ2 3.69Å
359	L	87.9	Confident	79	Confident	77 Å²	77	49.9 Å²	49.9	40%	0.403	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-61.3	-16.9	171.5	-63.2	179.3	0	0	0	112.9	I298 L301 V356 R357 L361 G362	I298-L359 HydrophobicContact CG2-CB 4.01Å; I298-L359 HydrophobicContact CG2-CD1 4.41Å; L301-L359 HydrophobicContact CD2-CD1 4.05Å; V356-L359 HydrophobicContact CG1-CD1 3.95Å; V356-L359 WeakPolarHBondContact O-CB 3.07Å; V356-L359 WeakPolarHBondContact O-CG 3.28Å; V356-L359 PolarHBondContact O-N 3.28Å; R357-L359 PolarHBondContact O-N 3.07Å; L359-L361 PolarHBondContact O-N 2.98Å; L359-L361 VanDerWaalsContact O-N 3.16Å; L359-G362 PolarHBondContact O-N 3.18Å
360	R	86.3	Confident	79.6	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57.5	-24.5	172.6	-65.7	171.6	-168.5	-167	2.8	112.9	T228 D258 F261 S302 R357 L358 G362 R363	T228-R360 HydrophobicContact CG2-CB 4.1Å; T228-R360 WeakPolarHBondContact CG2-O 3.49Å; D258-R360 IonicContact OD1-CZ 2.75Å; D258-R360 IonicContact OD1-NH1 2.67Å; D258-R360 PolarHBondContact OD1-NH1 2.79Å; D258-R360 IonicContact OD1-NH2 3.72Å; D258-R360 PolarHBondContact OD1-NH2 2.89Å; D258-R360 IonicContact OD2-NH2 2.87Å; F261-R360 HydrophobicContact CE1-CB 4.48Å; F261-R360 HydrophobicContact CE1-CG 4.39Å; F261-R360 HydrophobicContact CZ-CG 4.45Å; S302-R360 PolarHBondContact O-NE 3.29Å; S302-R360 PolarHBondContact O-NH2 2.85Å; R357-R360 VanDerWaalsContact O-CB 3.23Å; R357-R360 WeakPolarHBondContact O-CB 3.3Å; R357-R360 VanDerWaalsContact O-CD 3.32Å; R357-R360 WeakPolarHBondContact O-CD 3.49Å; R357-R360 WeakPolarHBondContact O-CG 3.34Å; R357-R360 PolarHBondContact O-N 3.4Å; R357-R360 VanDerWaalsContact O-N 3.13Å; L358-R360 PolarHBondContact O-N 3.29Å; L358-R360 VanDerWaalsContact O-N 3.08Å; R360-G362 PolarHBondContact O-N 2.95Å; R360-G362 VanDerWaalsContact O-N 3.15Å; R360-R363 WeakPolarHBondContact O-CB 3.4Å; R360-R363 WeakPolarHBondContact O-CG 3.35Å; R360-R363 PolarHBondContact O-N 3.34Å
361	L	85.2	Confident	79.9	Confident	47 Å²	47	47.6 Å²	47.6	25%	0.246	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.2	-19.8	172.9	-78.9	86	0	0	0	113	A232 L358 L359 R363 V364 A365 L388 W392	A232-L361 HydrophobicContact CB-CD1 3.9Å; L358-L361 HydrophobicContact CD2-CD1 4.33Å; L358-L361 WeakPolarHBondContact O-CD1 3.5Å; L358-L361 PolarHBondContact O-N 3.31Å; L358-L361 VanDerWaalsContact O-N 3.12Å; L359-L361 PolarHBondContact O-N 2.98Å; L359-L361 VanDerWaalsContact O-N 3.16Å; L361-R363 PolarHBondContact O-N 3.45Å; L361-R363 VanDerWaalsContact O-N 3.15Å; L361-V364 VanDerWaalsContact O-CB 3.31Å; L361-V364 WeakPolarHBondContact O-CB 3.27Å; L361-V364 PolarHBondContact O-N 3.24Å; L361-A365 PolarHBondContact O-N 3.21Å; L361-L388 HydrophobicContact CD2-CD1 4.28Å; L361-W392 HydrophobicContact CD1-CH2 4.38Å; L361-W392 HydrophobicContact CD1-CZ2 4.11Å; L361-W392 HydrophobicContact CD2-CH2 3.82Å; L361-W392 HydrophobicContact CD2-CZ2 3.92Å
362	G	82.9	Confident	80.3	Confident	19 Å²	19	49.8 Å²	49.8	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-23.4	170.9	0	0	0	0	0	113.9	L359 R360 V364 A365 R366	L359-G362 PolarHBondContact O-N 3.18Å; R360-G362 PolarHBondContact O-N 2.95Å; R360-G362 VanDerWaalsContact O-N 3.15Å; G362-V364 VanDerWaalsContact C-N 3.32Å; G362-A365 PolarHBondContact O-N 2.88Å; G362-R366 PolarHBondContact O-N 2.92Å
363	R	83.2	Confident	80.5	Confident	11 Å²	11	52.6 Å²	52.6	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-32.3	171.8	-56.4	-170.4	-168	-85.8	-14.1	112.2	T228 D264 D299 R360 L361 R366 K367	T228-R363 HydrophobicContact CG2-CB 4.34Å; D264-R363 IonicContact OD2-CZ 3.33Å; D264-R363 IonicContact OD2-NE 3.14Å; D264-R363 IonicContact OD2-NH1 2.7Å; D264-R363 PolarHBondContact OD2-NH1 3.48Å; D299-R363 VanDerWaalsContact CG-CZ 3.47Å; D299-R363 VanDerWaalsContact CG-NH1 3.32Å; D299-R363 IonicContact OD1-CZ 2.74Å; D299-R363 IonicContact OD1-NH1 3.62Å; D299-R363 IonicContact OD1-NH2 3.56Å; D299-R363 IonicContact OD2-CZ 3.24Å; D299-R363 IonicContact OD2-NH1 3.55Å; D299-R363 PolarHBondContact OD2-NH1 3.31Å; D299-R363 IonicContact OD2-NH2 3.63Å; D299-R363 PolarHBondContact OD2-NH2 3.24Å; R360-R363 WeakPolarHBondContact O-CB 3.4Å; R360-R363 WeakPolarHBondContact O-CG 3.35Å; R360-R363 PolarHBondContact O-N 3.34Å; L361-R363 PolarHBondContact O-N 3.45Å; L361-R363 VanDerWaalsContact O-N 3.15Å; R363-R366 PolarHBondContact O-N 3.21Å; R363-K367 PolarHBondContact O-N 2.95Å
364	V	82.9	Confident	80.6	Confident	29 Å²	29	56 Å²	56	18%	0.176	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-42.2	176.3	-169.8	0	0	0	0	110.4	L225 L361 G362 R366 K367 L368 L381	L225-V364 HydrophobicContact CD1-CB 4.41Å; L225-V364 HydrophobicContact CD1-CG1 4.01Å; L225-V364 HydrophobicContact CD1-CG2 3.74Å; L361-V364 VanDerWaalsContact O-CB 3.31Å; L361-V364 WeakPolarHBondContact O-CB 3.27Å; L361-V364 PolarHBondContact O-N 3.24Å; G362-V364 VanDerWaalsContact C-N 3.32Å; V364-R366 VanDerWaalsContact C-N 3.27Å; V364-R366 PolarHBondContact O-N 2.9Å; V364-K367 CarbonylContact O-C 3.56Å; V364-K367 WeakPolarHBondContact O-CA 3.44Å; V364-K367 PolarHBondContact O-N 3.14Å; V364-L368 PolarHBondContact O-N 2.71Å; V364-L381 HydrophobicContact CG1-CD1 4.47Å
365	A	77.9	Confident	80.5	Confident	56 Å²	56	55.9 Å²	55.9	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-38	175	0	0	0	0	0	112.4	L361 G362 K367 L368	L361-A365 PolarHBondContact O-N 3.21Å; G362-A365 PolarHBondContact O-N 2.88Å; A365-K367 PolarHBondContact O-N 2.73Å; A365-L368 WeakPolarHBondContact O-CB 3.45Å; A365-L368 PolarHBondContact O-N 3Å
366	R	75.8	Confident	80.4	Confident	65 Å²	65	55.8 Å²	55.8	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-15.6	173.2	-72.5	-167.9	-86.3	150.9	-15	114.9	N268 W295 D299 G362 R363 V364	N268-R366 PolarHBondContact OD1-NH1 3.46Å; W295-R366 HydrophobicContact CD2-CG 3.96Å; W295-R366 HydrophobicContact CE3-CG 4.37Å; W295-R366 HydrophobicContact CH2-CG 4.1Å; W295-R366 HydrophobicContact CZ2-CG 3.65Å; W295-R366 HydrophobicContact CZ3-CG 4.44Å; D299-R366 IonicContact OD1-CZ 2.79Å; D299-R366 IonicContact OD1-NH2 2.6Å; D299-R366 PolarHBondContact OD1-NH2 3.4Å; D299-R366 IonicContact OD2-CZ 3.79Å; D299-R366 IonicContact OD2-NH2 2.67Å; D299-R366 PolarHBondContact OD2-NH2 3.08Å; G362-R366 PolarHBondContact O-N 2.92Å; R363-R366 PolarHBondContact O-N 3.21Å; V364-R366 VanDerWaalsContact C-N 3.27Å; V364-R366 PolarHBondContact O-N 2.9Å
367	K	73.3	Confident	80.2	Confident	61 Å²	61	55.9 Å²	55.9	27%	0.265	30%	0.303	S	S	.	.	H	α-helix	trans	-108.9	-11.2	178.4	-64.7	-73.1	148.5	176.8	0	113.1	D221 R363 V364 A365 D369 H370 Y371	D221-K367 HydrophobicContact CB-CD 4.18Å; D221-K367 WeakPolarHBondContact OD1-CE 3.49Å; D221-K367 IonicContact OD1-NZ 2.73Å; D221-K367 PolarHBondContact OD1-NZ 3.34Å; D221-K367 WeakPolarHBondContact OD2-CE 3.39Å; D221-K367 IonicContact OD2-NZ 2.71Å; D221-K367 PolarHBondContact OD2-NZ 3.14Å; R363-K367 PolarHBondContact O-N 2.95Å; V364-K367 CarbonylContact O-C 3.56Å; V364-K367 WeakPolarHBondContact O-CA 3.44Å; V364-K367 PolarHBondContact O-N 3.14Å; A365-K367 PolarHBondContact O-N 2.73Å; K367-D369 VanDerWaalsContact C-N 3.31Å; K367-D369 PolarHBondContact O-N 2.81Å; K367-H370 WeakPolarHBondContact O-CB 3.48Å; K367-H370 PolarHBondContact O-N 3.44Å; K367-Y371 HydrophobicContact CB-CD2 4.28Å; K367-Y371 HydrophobicContact CB-CE2 3.87Å; K367-Y371 WeakPolarHBondContact O-CD2 3.19Å; K367-Y371 PolarHBondContact O-N 3.17Å
368	L	78.6	Confident	80.1	Confident	64 Å²	64	56.8 Å²	56.8	34%	0.335	31%	0.309	S	S	.	.	H	α-helix	trans	-55.7	-42.1	-177.6	-174	64.1	0	0	0	112.6	V364 A365 H370 Y371 I372 L381	V364-L368 PolarHBondContact O-N 2.71Å; A365-L368 WeakPolarHBondContact O-CB 3.45Å; A365-L368 PolarHBondContact O-N 3Å; L368-H370 PolarHBondContact O-N 3.45Å; L368-H370 VanDerWaalsContact O-N 3.14Å; L368-Y371 PolarHBondContact O-N 3.18Å; L368-I372 HydrophobicContact CD1-CD1 4.24Å; L368-I372 HydrophobicContact CD1-CG1 4.15Å; L368-I372 HydrophobicContact CD2-CD1 4.16Å; L368-I372 HydrophobicContact CG-CD1 3.7Å; L368-I372 HydrophobicContact CG-CG1 4.06Å; L368-I372 WeakPolarHBondContact O-CG1 3.43Å; L368-I372 PolarHBondContact O-N 2.84Å; L368-L381 HydrophobicContact CD1-CD2 3.48Å; L368-L381 VanDerWaalsContact CD1-CD2 3.48Å
369	D	74.9	Confident	80.1	Confident	85 Å²	85	57.5 Å²	57.5	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-53.8	-31.8	175.6	-90	36.3	0	0	0	113.6	R8 K367	R8-D369 IonicContact CZ-OD2 3.14Å; R8-D369 VanDerWaalsContact CZ-OD2 3.3Å; R8-D369 IonicContact NH1-OD2 3.62Å; R8-D369 PolarHBondContact NH1-OD2 3.14Å; R8-D369 IonicContact NH2-OD2 2.68Å; R8-D369 PolarHBondContact NH2-OD2 3.01Å; K367-D369 VanDerWaalsContact C-N 3.31Å; K367-D369 PolarHBondContact O-N 2.81Å
370	H	74.6	Confident	80.1	Confident	95 Å²	95	58.3 Å²	58.3	44%	0.44	32%	0.321	S	S	.	.	H	α-helix	trans	-81.8	-30	178.5	-177.6	44.9	0	0	0	112.6	K367 L368	K367-H370 WeakPolarHBondContact O-CB 3.48Å; K367-H370 PolarHBondContact O-N 3.44Å; L368-H370 PolarHBondContact O-N 3.45Å; L368-H370 VanDerWaalsContact O-N 3.14Å
371	Y	73.2	Confident	80.1	Confident	24 Å²	24	60.2 Å²	60.2	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-87	-24.7	179.8	-62.2	-54.2	0	0	0	113.2	W222 L225 K367 L368 E373 Y374	W222-Y371 AromaticContact CH2-CE1 3.75Å; W222-Y371 HydrophobicContact CH2-CE1 3.75Å; W222-Y371 AromaticContact CZ2-CE1 3.57Å; W222-Y371 HydrophobicContact CZ2-CE1 3.57Å; W222-Y371 AromaticContact CZ2-CZ 3.94Å; W222-Y371 WeakPolarHBondContact CZ2-OH 3.11Å; L225-Y371 HydrophobicContact CD2-CE2 4.03Å; K367-Y371 HydrophobicContact CB-CD2 4.28Å; K367-Y371 HydrophobicContact CB-CE2 3.87Å; K367-Y371 WeakPolarHBondContact O-CD2 3.19Å; K367-Y371 PolarHBondContact O-N 3.17Å; L368-Y371 PolarHBondContact O-N 3.18Å; Y371-E373 PolarHBondContact O-N 3.47Å; Y371-Y374 PolarHBondContact O-N 3.13Å; Y371-Y374 VanDerWaalsContact O-N 3.17Å
372	I	77.3	Confident	80.2	Confident	98 Å²	98	59.8 Å²	59.8	50%	0.503	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.5	175.6	-80.5	176.2	0	0	0	112.7	L368 Y374 V378	L368-I372 HydrophobicContact CD1-CD1 4.24Å; L368-I372 HydrophobicContact CD1-CG1 4.15Å; L368-I372 HydrophobicContact CD2-CD1 4.16Å; L368-I372 HydrophobicContact CG-CD1 3.7Å; L368-I372 HydrophobicContact CG-CG1 4.06Å; L368-I372 WeakPolarHBondContact O-CG1 3.43Å; L368-I372 PolarHBondContact O-N 2.84Å; I372-Y374 PolarHBondContact O-N 3.33Å; I372-V378 HydrophobicContact CG1-CG2 4.49Å
373	E	75.4	Confident	80.5	Confident	124 Å²	124	63 Å²	63	58%	0.579	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.5	177.8	-62.7	-177.1	164	0	0	113.1	Y371	Y371-E373 PolarHBondContact O-N 3.47Å
374	Y	79.3	Confident	80.9	Confident	140 Å²	140	64.8 Å²	64.8	55%	0.549	36%	0.358	S	S	.	.			trans	-115.8	97.2	-175.4	-61.5	-84.5	0	0	0	111.3	Y371 I372 A376 A377 V378	Y371-Y374 PolarHBondContact O-N 3.13Å; Y371-Y374 VanDerWaalsContact O-N 3.17Å; I372-Y374 PolarHBondContact O-N 3.33Å; Y374-A376 VanDerWaalsContact C-N 3.26Å; Y374-A376 PolarHBondContact O-N 2.84Å; Y374-A376 VanDerWaalsContact O-N 3.09Å; Y374-A377 WeakPolarHBondContact O-CA 3.48Å; Y374-A377 WeakPolarHBondContact O-CB 3.36Å; Y374-A377 PolarHBondContact O-N 3.46Å; Y374-V378 PolarHBondContact O-N 3Å
375	G	78.9	Confident	81.3	Confident	23 Å²	23	66.5 Å²	66.5	24%	0.237	37%	0.368	C	S	.	.	H	α-helix	trans	-51.7	-37.9	-176.3	0	0	0	0	0	115.1	A377 V378 L379 I501	G375-A377 PolarHBondContact O-N 2.9Å; G375-V378 WeakPolarHBondContact O-CB 3.39Å; G375-V378 PolarHBondContact O-N 3.25Å; G375-L379 PolarHBondContact O-N 3.25Å; G375-I501 WeakPolarHBondContact O-CD1 3.39Å
376	A	80.8	Confident	82	Confident	73 Å²	73	65 Å²	65	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-65.1	-34.9	174.6	0	0	0	0	0	113.4	Y374 L379 V380	Y374-A376 VanDerWaalsContact C-N 3.26Å; Y374-A376 PolarHBondContact O-N 2.84Å; Y374-A376 VanDerWaalsContact O-N 3.09Å; A376-L379 PolarHBondContact O-N 2.95Å; A376-V380 WeakPolarHBondContact O-CG2 3.37Å; A376-V380 PolarHBondContact O-N 3.31Å
377	A	82.9	Confident	82.9	Confident	35 Å²	35	63.7 Å²	63.7	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-71.2	-36	174	0	0	0	0	0	111.5	Y374 G375 L379 V380 L381	Y374-A377 WeakPolarHBondContact O-CA 3.48Å; Y374-A377 WeakPolarHBondContact O-CB 3.36Å; Y374-A377 PolarHBondContact O-N 3.46Å; G375-A377 PolarHBondContact O-N 2.9Å; A377-L379 VanDerWaalsContact C-N 3.33Å; A377-L379 PolarHBondContact O-N 2.95Å; A377-V380 PolarHBondContact O-N 3.09Å; A377-L381 WeakPolarHBondContact O-CB 3.13Å; A377-L381 PolarHBondContact O-N 2.89Å
378	V	84.4	Confident	83.8	Confident	26 Å²	26	61.5 Å²	61.5	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-41.9	171.9	178.8	0	0	0	0	111.1	I372 Y374 G375 L381 L382	I372-V378 HydrophobicContact CG1-CG2 4.49Å; Y374-V378 PolarHBondContact O-N 3Å; G375-V378 WeakPolarHBondContact O-CB 3.39Å; G375-V378 PolarHBondContact O-N 3.25Å; V378-L381 PolarHBondContact O-N 3.28Å; V378-L382 HydrophobicContact CG1-CD1 3.96Å; V378-L382 HydrophobicContact CG1-CG 4.39Å; V378-L382 WeakPolarHBondContact O-CB 3.35Å; V378-L382 VanDerWaalsContact O-CG 3.3Å; V378-L382 WeakPolarHBondContact O-CG 3.49Å; V378-L382 PolarHBondContact O-N 3.4Å
379	L	85.7	Confident	84.6	Confident	54 Å²	54	59.4 Å²	59.4	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-48.4	175.2	178.8	57.2	0	0	0	112.4	G375 A376 A377 L381 L382 V383 V498 I501	G375-L379 PolarHBondContact O-N 3.25Å; A376-L379 PolarHBondContact O-N 2.95Å; A377-L379 VanDerWaalsContact C-N 3.33Å; A377-L379 PolarHBondContact O-N 2.95Å; L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 3Å; L379-L382 PolarHBondContact O-N 3.3Å; L379-V383 HydrophobicContact CD1-CG2 4.29Å; L379-V383 WeakPolarHBondContact O-CG2 3.4Å; L379-V383 PolarHBondContact O-N 3.14Å; L379-V498 HydrophobicContact CD1-CG2 3.51Å; L379-I501 HydrophobicContact CB-CD1 3.74Å
380	V	88.1	Confident	85.6	Confident	94 Å²	94	55.3 Å²	55.3	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-59.4	-44.2	176.9	173.4	0	0	0	0	110.6	A376 A377 L382 V383 C384	A376-V380 WeakPolarHBondContact O-CG2 3.37Å; A376-V380 PolarHBondContact O-N 3.31Å; A377-V380 PolarHBondContact O-N 3.09Å; V380-L382 PolarHBondContact O-N 3.47Å; V380-V383 PolarHBondContact O-N 3.4Å; V380-C384 PolarHBondContact O-N 2.92Å; V380-C384 PolarHBondContact O-SG 3.42Å
381	L	85.9	Confident	86.6	Confident	42 Å²	42	51.1 Å²	51.1	22%	0.22	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-44.1	176.9	-179.4	61.9	0	0	0	112.2	V364 L368 A377 V378 L379 C384 V385	V364-L381 HydrophobicContact CG1-CD1 4.47Å; L368-L381 HydrophobicContact CD1-CD2 3.48Å; L368-L381 VanDerWaalsContact CD1-CD2 3.48Å; A377-L381 WeakPolarHBondContact O-CB 3.13Å; A377-L381 PolarHBondContact O-N 2.89Å; V378-L381 PolarHBondContact O-N 3.28Å; L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 3Å; L381-C384 PolarHBondContact O-N 3.03Å; L381-V385 HydrophobicContact CD1-CG2 4.41Å; L381-V385 WeakPolarHBondContact O-CB 3.35Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.02Å; L381-V385 PolarHBondContact O-N 2.82Å
382	L	87.3	Confident	87.6	Confident	37 Å²	37	53.7 Å²	53.7	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-38.5	177.1	-74.8	169.6	0	0	0	112.3	V378 L379 V380 V385 F386 T493 I494 N497	V378-L382 HydrophobicContact CG1-CD1 3.96Å; V378-L382 HydrophobicContact CG1-CG 4.39Å; V378-L382 WeakPolarHBondContact O-CB 3.35Å; V378-L382 VanDerWaalsContact O-CG 3.3Å; V378-L382 WeakPolarHBondContact O-CG 3.49Å; V378-L382 PolarHBondContact O-N 3.4Å; L379-L382 PolarHBondContact O-N 3.3Å; V380-L382 PolarHBondContact O-N 3.47Å; L382-V385 PolarHBondContact O-N 3.31Å; L382-F386 WeakPolarHBondContact O-CB 3.48Å; L382-F386 PolarHBondContact O-N 2.93Å; L382-T493 HydrophobicContact CD2-CG2 4.49Å; L382-I494 HydrophobicContact CB-CG1 4.39Å; L382-N497 HydrophobicContact CD1-CB 3.54Å
383	V	90.9	Very high	88.5	Confident	86 Å²	86	50.2 Å²	50.2	52%	0.521	29%	0.291	S	S	.	.	H	α-helix	trans	-66.5	-41.1	174.1	172.5	0	0	0	0	111.2	L379 V380 F386 G387	L379-V383 HydrophobicContact CD1-CG2 4.29Å; L379-V383 WeakPolarHBondContact O-CG2 3.4Å; L379-V383 PolarHBondContact O-N 3.14Å; V380-V383 PolarHBondContact O-N 3.4Å; V383-F386 PolarHBondContact O-N 3.27Å; V383-G387 PolarHBondContact O-N 3.29Å
384	C	90.9	Very high	89.4	Confident	50 Å²	50	44.3 Å²	44.3	34%	0.338	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-42.2	173.3	-70	0	0	0	0	112.2	F229 V380 L381 L388	F229-C384 HydrophobicContact CE2-CB 4.09Å; F229-C384 HydrophobicContact CZ-CB 4.45Å; V380-C384 PolarHBondContact O-N 2.92Å; V380-C384 PolarHBondContact O-SG 3.42Å; L381-C384 PolarHBondContact O-N 3.03Å; C384-L388 WeakPolarHBondContact O-CB 3.28Å; C384-L388 PolarHBondContact O-N 2.87Å
385	V	90.4	Very high	90.1	Very high	64 Å²	64	37.8 Å²	37.8	39%	0.388	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-39.1	175.2	168.2	0	0	0	0	111.3	L381 L382 L388 A389	L381-V385 HydrophobicContact CD1-CG2 4.41Å; L381-V385 WeakPolarHBondContact O-CB 3.35Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.02Å; L381-V385 PolarHBondContact O-N 2.82Å; L382-V385 PolarHBondContact O-N 3.31Å; V385-L388 PolarHBondContact O-N 3.21Å; V385-A389 VanDerWaalsContact O-CB 3.3Å; V385-A389 WeakPolarHBondContact O-CB 3.46Å; V385-A389 PolarHBondContact O-N 2.67Å
386	F	93	Very high	90.9	Very high	26 Å²	26	40.3 Å²	40.3	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-49.2	175.8	-177.4	-95.8	0	0	0	112.3	L382 V383 L388 A389 A390 M458 L461 T462 I494	L382-F386 WeakPolarHBondContact O-CB 3.48Å; L382-F386 PolarHBondContact O-N 2.93Å; V383-F386 PolarHBondContact O-N 3.27Å; F386-L388 VanDerWaalsContact C-N 3.32Å; F386-L388 PolarHBondContact O-N 3.02Å; F386-A389 PolarHBondContact O-N 3.38Å; F386-A390 PolarHBondContact O-N 3.23Å; F386-M458 HydrophobicContact CE1-CE 4.07Å; F386-M458 HydrophobicContact CE1-SD 3.99Å; F386-L461 HydrophobicContact CE2-CB 3.9Å; F386-L461 HydrophobicContact CZ-CB 3.79Å; F386-T462 HydrophobicContact CE1-CG2 4.17Å; F386-T462 HydrophobicContact CZ-CG2 3.78Å; F386-I494 HydrophobicContact CB-CD1 3.85Å; F386-I494 HydrophobicContact CD2-CD1 3.5Å; F386-I494 VanDerWaalsContact CD2-CD1 3.5Å; F386-I494 HydrophobicContact CE2-CD1 4.29Å; F386-I494 HydrophobicContact CG-CD1 3.85Å
387	G	94.3	Very high	91.6	Very high	36 Å²	36	36.9 Å²	36.9	37%	0.371	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-37	177.3	0	0	0	0	0	113	V383 A390 H391	V383-G387 PolarHBondContact O-N 3.29Å; G387-A390 PolarHBondContact O-N 2.82Å; G387-H391 WeakPolarHBondContact O-CB 3.32Å; G387-H391 PolarHBondContact O-N 2.82Å
388	L	93.7	Very high	92.1	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-41.6	174.2	174.9	157.9	0	0	0	111.8	F229 A232 L361 C384 V385 F386 H391 W392	F229-L388 HydrophobicContact CD2-CD1 4.05Å; F229-L388 HydrophobicContact CE2-CB 4.31Å; F229-L388 HydrophobicContact CE2-CD1 4.01Å; A232-L388 HydrophobicContact CB-CD1 3.65Å; A232-L388 HydrophobicContact CB-CG 4.41Å; L361-L388 HydrophobicContact CD2-CD1 4.28Å; C384-L388 WeakPolarHBondContact O-CB 3.28Å; C384-L388 PolarHBondContact O-N 2.87Å; V385-L388 PolarHBondContact O-N 3.21Å; F386-L388 VanDerWaalsContact C-N 3.32Å; F386-L388 PolarHBondContact O-N 3.02Å; L388-H391 PolarHBondContact O-N 2.89Å; L388-W392 HydrophobicContact CD2-CD2 3.79Å; L388-W392 VanDerWaalsContact CD2-CE2 3.44Å; L388-W392 HydrophobicContact CD2-CE3 4.18Å; L388-W392 HydrophobicContact CD2-CG 4.39Å; L388-W392 HydrophobicContact CD2-CH2 4Å; L388-W392 HydrophobicContact CD2-CZ2 3.56Å; L388-W392 HydrophobicContact CD2-CZ3 4.28Å; L388-W392 HydrophobicContact CG-CZ2 4.26Å; L388-W392 PolarHBondContact O-N 3.01Å
389	A	94	Very high	92.4	Very high	19 Å²	19	37.2 Å²	37.2	16%	0.157	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-43.8	174.1	0	0	0	0	0	111.5	V385 F386 H391 W392 M393 L490	V385-A389 VanDerWaalsContact O-CB 3.3Å; V385-A389 WeakPolarHBondContact O-CB 3.46Å; V385-A389 PolarHBondContact O-N 2.67Å; F386-A389 PolarHBondContact O-N 3.38Å; A389-H391 VanDerWaalsContact C-N 3.32Å; A389-H391 PolarHBondContact O-N 2.92Å; A389-W392 PolarHBondContact O-N 3.43Å; A389-M393 VanDerWaalsContact O-CG 3.29Å; A389-M393 WeakPolarHBondContact O-CG 3.38Å; A389-M393 PolarHBondContact O-N 2.85Å; A389-L490 HydrophobicContact CB-CD1 4.09Å
390	A	95.6	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-43.4	174	0	0	0	0	0	112.3	F386 G387 A394 L454 T457 M458 L461	F386-A390 PolarHBondContact O-N 3.23Å; G387-A390 PolarHBondContact O-N 2.82Å; A390-A394 VanDerWaalsContact O-CB 3.31Å; A390-A394 WeakPolarHBondContact O-CB 3.47Å; A390-A394 PolarHBondContact O-N 3.42Å; A390-L454 HydrophobicContact CB-CD1 4.18Å; A390-T457 PolarHBondContact O-OG1 3.45Å; A390-M458 HydrophobicContact CB-CG 4.12Å; A390-M458 HydrophobicContact CB-SD 3.55Å; A390-M458 VanDerWaalsContact CB-SD 3.55Å; A390-L461 VanDerWaalsContact CA-CD1 3.44Å; A390-L461 HydrophobicContact CB-CD1 3.62Å
391	H	95.8	Very high	92.7	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.032	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-43.4	175.2	172.8	71.3	0	0	0	113	I233 G387 L388 A389 A394 C395 Y450 L454	I233-H391 PolarHBondContact O-NE2 2.86Å; G387-H391 WeakPolarHBondContact O-CB 3.32Å; G387-H391 PolarHBondContact O-N 2.82Å; L388-H391 PolarHBondContact O-N 2.89Å; A389-H391 VanDerWaalsContact C-N 3.32Å; A389-H391 PolarHBondContact O-N 2.92Å; H391-A394 WeakPolarHBondContact O-CB 3.36Å; H391-A394 PolarHBondContact O-N 3.16Å; H391-C395 VanDerWaalsContact CE1-SG 3.52Å; H391-C395 PolarHBondContact O-N 3.33Å; H391-C395 PolarHBondContact O-SG 2.85Å; H391-Y450 AromaticContact CE1-CE2 3.77Å; H391-Y450 AromaticContact ND1-CE2 3.57Å; H391-Y450 AromaticContact ND1-CZ 3.67Å; H391-Y450 PolarHBondContact ND1-OH 2.98Å; H391-L454 HydrophobicContact CB-CD1 4.48Å
392	W	95.1	Very high	92.7	Very high	78 Å²	78	30.9 Å²	30.9	30%	0.295	18%	0.178	S	C	.	.	H	α-helix	trans	-62.6	-47.1	175.5	-71.5	4	0	0	0	111.7	A232 P236 L358 L361 L388 A389 A394 C395 I396	A232-W392 HydrophobicContact CB-CZ2 4.43Å; A232-W392 PolarHBondContact O-NE1 3.49Å; P236-W392 HydrophobicContact CG-CG 4.49Å; L358-W392 HydrophobicContact CD2-CH2 4.45Å; L358-W392 HydrophobicContact CD2-CZ2 3.69Å; L361-W392 HydrophobicContact CD1-CH2 4.38Å; L361-W392 HydrophobicContact CD1-CZ2 4.11Å; L361-W392 HydrophobicContact CD2-CH2 3.82Å; L361-W392 HydrophobicContact CD2-CZ2 3.92Å; L388-W392 HydrophobicContact CD2-CD2 3.79Å; L388-W392 VanDerWaalsContact CD2-CE2 3.44Å; L388-W392 HydrophobicContact CD2-CE3 4.18Å; L388-W392 HydrophobicContact CD2-CG 4.39Å; L388-W392 HydrophobicContact CD2-CH2 4Å; L388-W392 HydrophobicContact CD2-CZ2 3.56Å; L388-W392 HydrophobicContact CD2-CZ3 4.28Å; L388-W392 HydrophobicContact CG-CZ2 4.26Å; L388-W392 PolarHBondContact O-N 3.01Å; A389-W392 PolarHBondContact O-N 3.43Å; W392-A394 VanDerWaalsContact C-N 3.27Å; W392-A394 PolarHBondContact O-N 2.8Å; W392-C395 WeakPolarHBondContact O-CB 3.43Å; W392-C395 PolarHBondContact O-N 3.13Å; W392-C395 VanDerWaalsContact O-N 3.17Å; W392-I396 WeakPolarHBondContact O-CG1 3.36Å; W392-I396 PolarHBondContact O-N 2.84Å
393	M	95.3	Very high	92.6	Very high	25 Å²	25	36.1 Å²	36.1	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-33.3	177.1	-62.8	-57.1	-83.2	0	0	111.6	A389 I396 W397 T457 F479 I483 I486	A389-M393 VanDerWaalsContact O-CG 3.29Å; A389-M393 WeakPolarHBondContact O-CG 3.38Å; A389-M393 PolarHBondContact O-N 2.85Å; M393-I396 PolarHBondContact O-N 2.83Å; M393-I396 HydrophobicContact SD-CD1 4.12Å; M393-W397 VanDerWaalsContact O-CB 3.29Å; M393-W397 WeakPolarHBondContact O-CB 3.35Å; M393-W397 PolarHBondContact O-N 2.64Å; M393-T457 HydrophobicContact CB-CG2 3.96Å; M393-F479 HydrophobicContact CB-CZ 4.14Å; M393-F479 HydrophobicContact CE-CD2 4.34Å; M393-F479 HydrophobicContact CE-CE1 4.42Å; M393-F479 HydrophobicContact CE-CE2 3.46Å; M393-F479 VanDerWaalsContact CE-CE2 3.46Å; M393-F479 HydrophobicContact CE-CZ 3.53Å; M393-F479 WeakPolarHBondContact O-CZ 3.31Å; M393-F479 HydrophobicContact SD-CE2 4.23Å; M393-F479 HydrophobicContact SD-CZ 4.27Å; M393-I483 HydrophobicContact CB-CD1 3.65Å; M393-I483 HydrophobicContact CB-CG1 4.4Å; M393-I483 HydrophobicContact CE-CB 3.65Å; M393-I483 HydrophobicContact CE-CD1 4.15Å; M393-I483 HydrophobicContact CE-CG1 3.76Å; M393-I483 HydrophobicContact CG-CD1 4.01Å; M393-I483 HydrophobicContact CG-CG1 4.22Å; M393-I486 HydrophobicContact CE-CD1 4.45Å
394	A	95.7	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-35.4	174.9	0	0	0	0	0	112.7	A390 H391 W392 Y398 S453 L454 T457	A390-A394 VanDerWaalsContact O-CB 3.31Å; A390-A394 WeakPolarHBondContact O-CB 3.47Å; A390-A394 PolarHBondContact O-N 3.42Å; H391-A394 WeakPolarHBondContact O-CB 3.36Å; H391-A394 PolarHBondContact O-N 3.16Å; W392-A394 VanDerWaalsContact C-N 3.27Å; W392-A394 PolarHBondContact O-N 2.8Å; A394-Y398 PolarHBondContact O-N 3.4Å; A394-S453 VanDerWaalsContact CA-OG 3.3Å; A394-S453 WeakPolarHBondContact CA-OG 3.31Å; A394-S453 PolarHBondContact O-OG 3.35Å; A394-L454 HydrophobicContact CB-CB 4.16Å; A394-L454 HydrophobicContact CB-CD1 4.13Å; A394-T457 HydrophobicContact CB-CG2 4.29Å
395	C	94.1	Very high	92	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-40.9	173.7	-67.1	0	0	0	0	111.3	P236 S240 H391 W392 S399	P236-C395 HydrophobicContact CB-CB 3.94Å; S240-C395 WeakPolarHBondContact CB-O 3.4Å; S240-C395 WeakPolarHBondContact OG-CB 3.42Å; S240-C395 PolarHBondContact OG-O 3.19Å; H391-C395 VanDerWaalsContact CE1-SG 3.52Å; H391-C395 PolarHBondContact O-N 3.33Å; H391-C395 PolarHBondContact O-SG 2.85Å; W392-C395 WeakPolarHBondContact O-CB 3.43Å; W392-C395 PolarHBondContact O-N 3.13Å; W392-C395 VanDerWaalsContact O-N 3.17Å; C395-S399 PolarHBondContact O-N 3.45Å; C395-S399 PolarHBondContact O-OG 3.45Å
396	I	93.9	Very high	91.4	Very high	77 Å²	77	32 Å²	32	40%	0.395	16%	0.161	S	C	.	.	H	α-helix	trans	-67.4	-43.5	174.8	-60.9	163.1	0	0	0	111.2	W392 M393 Y398 S399 I400 F479	W392-I396 WeakPolarHBondContact O-CG1 3.36Å; W392-I396 PolarHBondContact O-N 2.84Å; M393-I396 PolarHBondContact O-N 2.83Å; M393-I396 HydrophobicContact SD-CD1 4.12Å; I396-Y398 VanDerWaalsContact C-N 3.33Å; I396-Y398 PolarHBondContact O-N 2.9Å; I396-S399 CarbonylContact O-C 3.53Å; I396-S399 WeakPolarHBondContact O-CB 3.28Å; I396-S399 PolarHBondContact O-N 2.98Å; I396-S399 VanDerWaalsContact O-N 3.07Å; I396-I400 HydrophobicContact CG2-CD1 3.97Å; I396-I400 HydrophobicContact CG2-CG1 4.43Å; I396-I400 WeakPolarHBondContact O-CG1 3.31Å; I396-I400 PolarHBondContact O-N 2.77Å; I396-F479 HydrophobicContact CB-CE2 3.94Å; I396-F479 HydrophobicContact CB-CZ 4.25Å; I396-F479 HydrophobicContact CG2-CD2 4.02Å; I396-F479 HydrophobicContact CG2-CE2 3.43Å; I396-F479 VanDerWaalsContact CG2-CE2 3.43Å; I396-F479 HydrophobicContact CG2-CZ 4.15Å
397	W	95.4	Very high	90.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-39.6	177.7	-178	-116.3	0	0	0	112.7	M393 I400 G401 W418 F456 T457 I469 P471 E476 F479	M393-W397 VanDerWaalsContact O-CB 3.29Å; M393-W397 WeakPolarHBondContact O-CB 3.35Å; M393-W397 PolarHBondContact O-N 2.64Å; W397-I400 PolarHBondContact O-N 2.69Å; W397-G401 PolarHBondContact O-N 2.99Å; W397-G401 VanDerWaalsContact O-N 3.09Å; W397-W418 AromaticContact CD1-CE2 3.57Å; W397-W418 AromaticContact CD1-CH2 3.76Å; W397-W418 AromaticContact CD1-CZ2 3.37Å; W397-W418 AromaticContact CD2-NE1 3.88Å; W397-W418 AromaticContact CE2-CD1 3.59Å; W397-W418 AromaticContact CE2-CD2 3.69Å; W397-W418 AromaticContact CE2-CE2 3.61Å; W397-W418 AromaticContact CE2-CG 3.7Å; W397-W418 AromaticContact CE2-NE1 3.51Å; W397-W418 HydrophobicContact CG-CZ2 4.16Å; W397-W418 HydrophobicContact CH2-CB 4.46Å; W397-W418 AromaticContact CH2-CD1 3.94Å; W397-W418 HydrophobicContact CH2-CG 4.24Å; W397-W418 HydrophobicContact CZ2-CB 3.77Å; W397-W418 AromaticContact CZ2-CD1 3.43Å; W397-W418 VanDerWaalsContact CZ2-CD1 3.43Å; W397-W418 AromaticContact CZ2-CD2 3.89Å; W397-W418 HydrophobicContact CZ2-CD2 3.89Å; W397-W418 AromaticContact CZ2-CG 3.41Å; W397-W418 HydrophobicContact CZ2-CG 3.41Å; W397-W418 VanDerWaalsContact CZ2-CG 3.41Å; W397-W418 AromaticContact CZ2-NE1 3.88Å; W397-W418 AromaticContact NE1-CD1 3.96Å; W397-W418 AromaticContact NE1-CD2 3.28Å; W397-W418 VanDerWaalsContact NE1-CD2 3.28Å; W397-W418 AromaticContact NE1-CE2 3.15Å; W397-W418 AromaticContact NE1-CE3 3.62Å; W397-W418 AromaticContact NE1-CG 3.82Å; W397-W418 AromaticContact NE1-CH2 3.75Å; W397-W418 AromaticContact NE1-CZ2 3.42Å; W397-W418 AromaticContact NE1-CZ3 3.82Å; W397-W418 AromaticContact NE1-NE1 3.57Å; W397-W418 PolarHBondContact O-NE1 3.26Å; W397-F456 AromaticContact CD1-CD1 3.57Å; W397-F456 AromaticContact CD2-CD1 3.66Å; W397-F456 HydrophobicContact CD2-CD1 3.66Å; W397-F456 AromaticContact CD2-CE1 3.51Å; W397-F456 HydrophobicContact CD2-CE1 3.51Å; W397-F456 HydrophobicContact CD2-CZ 4.46Å; W397-F456 AromaticContact CE2-CD1 3.38Å; W397-F456 AromaticContact CE2-CE1 3.39Å; W397-F456 HydrophobicContact CE3-CD1 4.42Å; W397-F456 AromaticContact CE3-CE1 3.81Å; W397-F456 HydrophobicContact CE3-CE1 3.81Å; W397-F456 AromaticContact CG-CD1 3.76Å; W397-F456 HydrophobicContact CG-CD1 3.76Å; W397-F456 HydrophobicContact CG-CE1 4.05Å; W397-F456 AromaticContact CH2-CE1 3.88Å; W397-F456 HydrophobicContact CH2-CE1 3.88Å; W397-F456 AromaticContact CH2-CZ 3.9Å; W397-F456 HydrophobicContact CH2-CZ 3.9Å; W397-F456 AromaticContact CZ2-CD1 3.93Å; W397-F456 HydrophobicContact CZ2-CD1 3.93Å; W397-F456 AromaticContact CZ2-CE1 3.6Å; W397-F456 HydrophobicContact CZ2-CE1 3.6Å; W397-F456 HydrophobicContact CZ2-CE2 4.28Å; W397-F456 HydrophobicContact CZ2-CG 4.4Å; W397-F456 AromaticContact CZ2-CZ 3.79Å; W397-F456 HydrophobicContact CZ2-CZ 3.79Å; W397-F456 AromaticContact CZ3-CE1 3.98Å; W397-F456 HydrophobicContact CZ3-CE1 3.98Å; W397-F456 HydrophobicContact CZ3-CZ 4.3Å; W397-F456 AromaticContact NE1-CD1 3.33Å; W397-F456 VanDerWaalsContact NE1-CD1 3.33Å; W397-F456 AromaticContact NE1-CE1 3.87Å; W397-F456 AromaticContact NE1-CG 3.77Å; W397-T457 HydrophobicContact CB-CG2 4.28Å; W397-I469 HydrophobicContact CZ2-CG2 4.36Å; W397-P471 HydrophobicContact CH2-CB 4.04Å; W397-E476 HydrophobicContact CH2-CB 3.79Å; W397-E476 HydrophobicContact CH2-CG 3.9Å; W397-E476 HydrophobicContact CZ3-CB 3.81Å; W397-E476 HydrophobicContact CZ3-CG 3.95Å; W397-F479 HydrophobicContact CB-CE1 3.92Å; W397-F479 HydrophobicContact CB-CZ 4.24Å; W397-F479 HydrophobicContact CD2-CD1 4.37Å; W397-F479 HydrophobicContact CD2-CE1 4.23Å; W397-F479 AromaticContact CE3-CD1 3.36Å; W397-F479 HydrophobicContact CE3-CD1 3.36Å; W397-F479 AromaticContact CE3-CE1 3.64Å; W397-F479 HydrophobicContact CE3-CE1 3.64Å; W397-F479 HydrophobicContact CE3-CG 4.3Å; W397-F479 HydrophobicContact CG-CE1 4.39Å; W397-F479 AromaticContact CZ3-CD1 3.82Å; W397-F479 HydrophobicContact CZ3-CD1 3.82Å; W397-F479 HydrophobicContact CZ3-CE1 4.48Å
398	Y	93.8	Very high	88.6	Confident	19 Å²	19	38.5 Å²	38.5	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-43	170	175.9	-112.7	0	0	0	112.4	S240 F241 A394 I396 I400 G401 D402 L419 V449	S240-Y398 WeakPolarHBondContact O-CE1 3.32Å; F241-Y398 AromaticContact CD1-CD1 3.57Å; F241-Y398 HydrophobicContact CD1-CD1 3.57Å; F241-Y398 AromaticContact CD1-CE1 3.71Å; F241-Y398 HydrophobicContact CD1-CE1 3.71Å; F241-Y398 HydrophobicContact CD1-CG 4.1Å; F241-Y398 HydrophobicContact CD2-CD1 4.08Å; F241-Y398 AromaticContact CE1-CD1 3.44Å; F241-Y398 HydrophobicContact CE1-CD1 3.44Å; F241-Y398 VanDerWaalsContact CE1-CD1 3.44Å; F241-Y398 HydrophobicContact CE1-CD2 4.02Å; F241-Y398 AromaticContact CE1-CE1 3.96Å; F241-Y398 HydrophobicContact CE1-CE1 3.96Å; F241-Y398 HydrophobicContact CE1-CE2 4.49Å; F241-Y398 AromaticContact CE1-CG 3.48Å; F241-Y398 HydrophobicContact CE1-CG 3.48Å; F241-Y398 VanDerWaalsContact CE1-CG 3.48Å; F241-Y398 AromaticContact CE2-CD1 3.95Å; F241-Y398 HydrophobicContact CE2-CD1 3.95Å; F241-Y398 HydrophobicContact CE2-CG 4.25Å; F241-Y398 AromaticContact CG-CD1 3.89Å; F241-Y398 HydrophobicContact CG-CD1 3.89Å; F241-Y398 HydrophobicContact CG-CE1 4.11Å; F241-Y398 AromaticContact CZ-CD1 3.62Å; F241-Y398 HydrophobicContact CZ-CD1 3.62Å; F241-Y398 HydrophobicContact CZ-CD2 4.43Å; F241-Y398 AromaticContact CZ-CG 3.55Å; F241-Y398 HydrophobicContact CZ-CG 3.55Å; A394-Y398 PolarHBondContact O-N 3.4Å; I396-Y398 VanDerWaalsContact C-N 3.33Å; I396-Y398 PolarHBondContact O-N 2.9Å; Y398-I400 VanDerWaalsContact C-N 3.26Å; Y398-I400 PolarHBondContact O-N 2.94Å; Y398-G401 PolarHBondContact O-N 2.95Å; Y398-G401 VanDerWaalsContact O-N 3.1Å; Y398-D402 HydrophobicContact CE1-CB 4.34Å; Y398-D402 HydrophobicContact CE2-CB 4.16Å; Y398-D402 WeakPolarHBondContact O-CB 3.21Å; Y398-D402 PolarHBondContact O-N 3.33Å; Y398-D402 PolarHBondContact OH-OD1 3.37Å; Y398-L419 HydrophobicContact CE2-CD2 4.06Å; Y398-V449 HydrophobicContact CD2-CG1 3.39Å; Y398-V449 HydrophobicContact CE2-CG1 3.73Å; Y398-V449 HydrophobicContact CG-CG1 4.28Å
399	S	90.5	Very high	87.1	Confident	50 Å²	50	45.4 Å²	45.4	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-60.6	-34.6	176.6	-59.4	0	0	0	0	112.9	S240 C395 I396 Y403	S240-S399 WeakPolarHBondContact CB-OG 3.44Å; S240-S399 PolarHBondContact OG-OG 2.92Å; C395-S399 PolarHBondContact O-N 3.45Å; C395-S399 PolarHBondContact O-OG 3.45Å; I396-S399 CarbonylContact O-C 3.53Å; I396-S399 WeakPolarHBondContact O-CB 3.28Å; I396-S399 PolarHBondContact O-N 2.98Å; I396-S399 VanDerWaalsContact O-N 3.07Å; S399-Y403 WeakPolarHBondContact O-CB 3.15Å; S399-Y403 PolarHBondContact O-N 3.4Å
400	I	91.3	Very high	85.7	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.108	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-43.4	173.4	-67.4	166.4	0	0	0	110.7	I396 W397 Y398 Y403 E404 I475 E476 F479	I396-I400 HydrophobicContact CG2-CD1 3.97Å; I396-I400 HydrophobicContact CG2-CG1 4.43Å; I396-I400 WeakPolarHBondContact O-CG1 3.31Å; I396-I400 PolarHBondContact O-N 2.77Å; W397-I400 PolarHBondContact O-N 2.69Å; Y398-I400 VanDerWaalsContact C-N 3.26Å; Y398-I400 PolarHBondContact O-N 2.94Å; I400-Y403 PolarHBondContact O-N 2.82Å; I400-E404 HydrophobicContact CG2-CG 4.5Å; I400-E404 WeakPolarHBondContact O-CB 3.47Å; I400-E404 PolarHBondContact O-N 2.94Å; I400-I475 HydrophobicContact CG2-CG2 4.11Å; I400-E476 HydrophobicContact CG2-CG 4.08Å; I400-F479 HydrophobicContact CD1-CB 3.78Å; I400-F479 HydrophobicContact CD1-CD1 4.31Å; I400-F479 HydrophobicContact CD1-CD2 3.58Å; I400-F479 HydrophobicContact CD1-CE2 4.22Å; I400-F479 HydrophobicContact CD1-CG 3.62Å
401	G	89.7	Confident	84.3	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-40.1	176.6	0	0	0	0	0	113.6	W397 Y398 Y403 I405	W397-G401 PolarHBondContact O-N 2.99Å; W397-G401 VanDerWaalsContact O-N 3.09Å; Y398-G401 PolarHBondContact O-N 2.95Å; Y398-G401 VanDerWaalsContact O-N 3.1Å; G401-Y403 PolarHBondContact O-N 2.7Å; G401-I405 VanDerWaalsContact O-CB 3.25Å; G401-I405 WeakPolarHBondContact O-CB 3.29Å; G401-I405 WeakPolarHBondContact O-CG2 3.39Å; G401-I405 PolarHBondContact O-N 3.46Å; G401-I405 VanDerWaalsContact O-N 3.15Å
402	D	86.6	Confident	83.1	Confident	35 Å²	35	59.3 Å²	59.3	19%	0.187	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-21.5	176.5	-159.4	71.8	0	0	0	112.5	K242 Y398	K242-D402 IonicContact NZ-OD2 2.64Å; K242-D402 PolarHBondContact NZ-OD2 3.3Å; Y398-D402 HydrophobicContact CE1-CB 4.34Å; Y398-D402 HydrophobicContact CE2-CB 4.16Å; Y398-D402 WeakPolarHBondContact O-CB 3.21Å; Y398-D402 PolarHBondContact O-N 3.33Å; Y398-D402 PolarHBondContact OH-OD1 3.37Å
403	Y	85.4	Confident	82	Confident	147 Å²	147	56.5 Å²	56.5	58%	0.576	28%	0.281	S	S	*	.	H	α-helix	trans	-87.5	-51.5	174	-176.9	-90.9	0	0	0	112.2	S399 I400 G401 I405	S399-Y403 WeakPolarHBondContact O-CB 3.15Å; S399-Y403 PolarHBondContact O-N 3.4Å; I400-Y403 PolarHBondContact O-N 2.82Å; G401-Y403 PolarHBondContact O-N 2.7Å; Y403-I405 VanDerWaalsContact C-N 3.29Å; Y403-I405 PolarHBondContact O-N 3.02Å
404	E	85.3	Confident	81	Confident	23 Å²	23	59.4 Å²	59.4	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-69.2	-21.1	-176.9	-85.8	-77.2	119.2	0	0	114.4	I400 R414 T473 I475	I400-E404 HydrophobicContact CG2-CG 4.5Å; I400-E404 WeakPolarHBondContact O-CB 3.47Å; I400-E404 PolarHBondContact O-N 2.94Å; E404-R414 WeakPolarHBondContact O-CB 3.48Å; E404-R414 IonicContact OE1-NH1 2.9Å; E404-R414 PolarHBondContact OE1-NH1 2.85Å; E404-R414 IonicContact OE2-CZ 3.88Å; E404-R414 IonicContact OE2-NH1 2.79Å; E404-R414 PolarHBondContact OE2-NH1 3.21Å; E404-T473 WeakPolarHBondContact OE2-CB 3.19Å; E404-T473 VanDerWaalsContact OE2-CG2 3.26Å; E404-T473 WeakPolarHBondContact OE2-CG2 3.48Å; E404-T473 PolarHBondContact OE2-OG1 3.34Å; E404-I475 HydrophobicContact CG-CG2 3.46Å; E404-I475 VanDerWaalsContact CG-CG2 3.46Å
405	I	82.7	Confident	80.1	Confident	1 Å²	1	64 Å²	64	1%	0.005	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-27.6	-176.6	-164	162.5	0	0	0	113.4	G401 Y403 I413 R414 L419 Y430	G401-I405 VanDerWaalsContact O-CB 3.25Å; G401-I405 WeakPolarHBondContact O-CB 3.29Å; G401-I405 WeakPolarHBondContact O-CG2 3.39Å; G401-I405 PolarHBondContact O-N 3.46Å; G401-I405 VanDerWaalsContact O-N 3.15Å; Y403-I405 VanDerWaalsContact C-N 3.29Å; Y403-I405 PolarHBondContact O-N 3.02Å; I405-I413 HydrophobicContact CD1-CD1 4.1Å; I405-I413 HydrophobicContact CD1-CG1 4.33Å; I405-I413 HydrophobicContact CG1-CD1 3.91Å; I405-I413 HydrophobicContact CG1-CG1 3.6Å; I405-I413 WeakPolarHBondContact O-CA 3.42Å; I405-I413 WeakPolarHBondContact O-CG1 3.32Å; I405-R414 PolarHBondContact O-N 3.38Å; I405-R414 VanDerWaalsContact O-N 3.09Å; I405-L419 HydrophobicContact CD1-CB 4.21Å; I405-L419 HydrophobicContact CD1-CD2 4Å; I405-L419 HydrophobicContact CD1-CG 3.95Å; I405-L419 HydrophobicContact CG2-CD2 4.41Å; I405-Y430 HydrophobicContact CD1-CD2 4.13Å; I405-Y430 HydrophobicContact CD1-CE1 4.48Å; I405-Y430 HydrophobicContact CD1-CE2 3.47Å; I405-Y430 VanDerWaalsContact CD1-CE2 3.47Å
406	F	77.7	Confident	79.5	Confident	90 Å²	90	68.9 Å²	68.9	40%	0.395	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-110.5	109.6	179.4	-65.4	-65.6	0	0	0	111	E408 W440	F406-E408 PolarHBondContact O-N 3.44Å; F406-W440 HydrophobicContact CE1-CB 4.46Å; F406-W440 AromaticContact CE1-CD1 3.98Å; F406-W440 HydrophobicContact CE1-CG 4.27Å
407	D	67.6	Low	79.3	Confident	37 Å²	37	65.2 Å²	65.2	20%	0.198	32%	0.322	C	S	.	.			trans	-76.2	113.7	179.5	-168	78.6	0	0	0	110.4	D409 T410 K411 T412 R414	D407-D409 PolarHBondContact O-N 3.38Å; D407-T410 WeakPolarHBondContact CB-OG1 3.36Å; D407-T410 PolarHBondContact O-N 2.75Å; D407-T410 WeakPolarHBondContact OD2-CB 3.44Å; D407-T410 WeakPolarHBondContact OD2-CG2 3.43Å; D407-T410 PolarHBondContact OD2-OG1 2.88Å; D407-K411 VanDerWaalsContact O-CA 3.26Å; D407-K411 WeakPolarHBondContact O-CA 3.45Å; D407-K411 PolarHBondContact O-N 2.82Å; D407-T412 PolarHBondContact N-O 3.27Å; D407-R414 IonicContact OD1-CZ 3.72Å; D407-R414 IonicContact OD1-NE 3.86Å; D407-R414 IonicContact OD1-NH2 2.76Å; D407-R414 PolarHBondContact OD1-NH2 2.82Å
408	E	62.6	Low	79.1	Confident	162 Å²	162	65.3 Å²	65.3	76%	0.757	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-41.4	-167.8	-68	-159.1	130.2	0	0	113.7	F406	F406-E408 PolarHBondContact O-N 3.44Å
409	D	61.7	Low	79	Confident	161 Å²	161	64.5 Å²	64.5	86%	0.861	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-38.3	-177.1	-72.5	-44.3	0	0	0	112.7	D407	D407-D409 PolarHBondContact O-N 3.38Å
410	T	64.7	Low	78.9	Confident	79 Å²	79	64.1 Å²	64.1	49%	0.485	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-19.3	-172.2	67.3	0	0	0	0	114.2	D407 T412	D407-T410 WeakPolarHBondContact CB-OG1 3.36Å; D407-T410 PolarHBondContact O-N 2.75Å; D407-T410 WeakPolarHBondContact OD2-CB 3.44Å; D407-T410 WeakPolarHBondContact OD2-CG2 3.43Å; D407-T410 PolarHBondContact OD2-OG1 2.88Å; T410-T412 PolarHBondContact O-N 2.77Å; T410-T412 VanDerWaalsContact O-N 3.14Å; T410-T412 PolarHBondContact OG1-N 2.8Å; T410-T412 PolarHBondContact OG1-OG1 3.34Å
411	K	65.7	Low	78.7	Confident	163 Å²	163	66.2 Å²	66.2	71%	0.709	32%	0.32	S	S	*	.			trans	54.8	19.2	-168.7	-58	178.5	-176.5	171.8	0	114.2	D407 W440	D407-K411 VanDerWaalsContact O-CA 3.26Å; D407-K411 WeakPolarHBondContact O-CA 3.45Å; D407-K411 PolarHBondContact O-N 2.82Å; K411-W440 PolarHBondContact O-NE1 3.47Å; K411-W440 VanDerWaalsContact O-NE1 3.12Å
412	T	70.1	Confident	78.8	Confident	75 Å²	75	67 Å²	67	46%	0.46	32%	0.324	S	S	.	.			trans	-83.9	159.2	172.6	66.3	0	0	0	0	110.5	D407 T410	D407-T412 PolarHBondContact N-O 3.27Å; T410-T412 PolarHBondContact O-N 2.77Å; T410-T412 VanDerWaalsContact O-N 3.14Å; T410-T412 PolarHBondContact OG1-N 2.8Å; T410-T412 PolarHBondContact OG1-OG1 3.34Å
413	I	72	Confident	78.9	Confident	19 Å²	19	65.3 Å²	65.3	10%	0.097	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-88.4	131.2	178.8	-154.7	171.7	0	0	0	109.9	I405 N415 Y420 Y430 W440	I405-I413 HydrophobicContact CD1-CD1 4.1Å; I405-I413 HydrophobicContact CD1-CG1 4.33Å; I405-I413 HydrophobicContact CG1-CD1 3.91Å; I405-I413 HydrophobicContact CG1-CG1 3.6Å; I405-I413 WeakPolarHBondContact O-CA 3.42Å; I405-I413 WeakPolarHBondContact O-CG1 3.32Å; I413-N415 PolarHBondContact O-N 2.74Å; I413-Y420 HydrophobicContact CD1-CD2 3.97Å; I413-Y420 HydrophobicContact CD1-CE2 4.43Å; I413-Y420 HydrophobicContact CG1-CD2 4.3Å; I413-Y420 HydrophobicContact CG2-CD2 4.48Å; I413-Y420 HydrophobicContact CG2-CE2 4.21Å; I413-Y430 VanDerWaalsContact CD1-CB 3.43Å; I413-Y430 HydrophobicContact CD1-CD1 4.17Å; I413-Y430 HydrophobicContact CD1-CD2 3.62Å; I413-Y430 HydrophobicContact CD1-CE2 4.41Å; I413-Y430 HydrophobicContact CD1-CG 3.48Å; I413-Y430 VanDerWaalsContact CD1-CG 3.48Å; I413-W440 HydrophobicContact CB-CH2 3.93Å; I413-W440 HydrophobicContact CB-CZ2 4.09Å; I413-W440 HydrophobicContact CB-CZ3 4.18Å; I413-W440 HydrophobicContact CG2-CH2 3.71Å; I413-W440 HydrophobicContact CG2-CZ2 4.35Å; I413-W440 HydrophobicContact CG2-CZ3 3.9Å
414	R	74.6	Confident	79	Confident	87 Å²	87	63.3 Å²	63.3	33%	0.328	31%	0.312	S	S	.	.			trans	-83.4	101.9	-177.9	-169.1	175.8	-72.7	176.1	2.5	110.3	E404 I405 D407 N416 S417	E404-R414 WeakPolarHBondContact O-CB 3.48Å; E404-R414 IonicContact OE1-NH1 2.9Å; E404-R414 PolarHBondContact OE1-NH1 2.85Å; E404-R414 IonicContact OE2-CZ 3.88Å; E404-R414 IonicContact OE2-NH1 2.79Å; E404-R414 PolarHBondContact OE2-NH1 3.21Å; I405-R414 PolarHBondContact O-N 3.38Å; I405-R414 VanDerWaalsContact O-N 3.09Å; D407-R414 IonicContact OD1-CZ 3.72Å; D407-R414 IonicContact OD1-NE 3.86Å; D407-R414 IonicContact OD1-NH2 2.76Å; D407-R414 PolarHBondContact OD1-NH2 2.82Å; R414-N416 PolarHBondContact O-N 2.95Å; R414-S417 PolarHBondContact O-N 2.99Å
415	N	77.3	Confident	79.2	Confident	96 Å²	96	68.3 Å²	68.3	51%	0.513	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-6.7	-177.4	-65.8	-8.8	0	0	0	116.4	I413 Y420	I413-N415 PolarHBondContact O-N 2.74Å; N415-Y420 HydrophobicContact CB-CD1 4.42Å; N415-Y420 HydrophobicContact CB-CE1 4.01Å; N415-Y420 WeakPolarHBondContact O-CD1 3.49Å; N415-Y420 WeakPolarHBondContact O-CE1 3.35Å
416	N	81.6	Confident	79.4	Confident	104 Å²	104	71.7 Å²	71.7	56%	0.556	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	1.3	-170.5	-64.8	2.4	0	0	0	114.1	R414 S472	R414-N416 PolarHBondContact O-N 2.95Å; N416-S472 WeakPolarHBondContact O-CB 3.44Å
417	S	89.5	Confident	79.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.367	C	S	.	.	S	Bend	trans	-82.1	149.3	176.2	179.2	0	0	0	0	112.3	R414 L419 Y420 Q421 E476	R414-S417 PolarHBondContact O-N 2.99Å; S417-L419 PolarHBondContact O-N 3.01Å; S417-L419 VanDerWaalsContact O-N 3.16Å; S417-Y420 WeakPolarHBondContact O-CB 3.5Å; S417-Y420 PolarHBondContact O-N 2.95Å; S417-Q421 PolarHBondContact O-N 2.96Å; S417-Q421 VanDerWaalsContact O-N 3.08Å; S417-E476 VanDerWaalsContact CA-OE1 3.3Å; S417-E476 WeakPolarHBondContact CA-OE1 3.42Å; S417-E476 WeakPolarHBondContact CB-OE1 3.35Å; S417-E476 PolarHBondContact OG-OE1 3.38Å
418	W	91.4	Very high	80.8	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-54.2	-34.1	177.6	83.4	-92.4	0	0	0	113.3	W397 Q421 L422 V449 I469 E476	W397-W418 AromaticContact CD1-CE2 3.57Å; W397-W418 AromaticContact CD1-CH2 3.76Å; W397-W418 AromaticContact CD1-CZ2 3.37Å; W397-W418 AromaticContact CD2-NE1 3.88Å; W397-W418 AromaticContact CE2-CD1 3.59Å; W397-W418 AromaticContact CE2-CD2 3.69Å; W397-W418 AromaticContact CE2-CE2 3.61Å; W397-W418 AromaticContact CE2-CG 3.7Å; W397-W418 AromaticContact CE2-NE1 3.51Å; W397-W418 HydrophobicContact CG-CZ2 4.16Å; W397-W418 HydrophobicContact CH2-CB 4.46Å; W397-W418 AromaticContact CH2-CD1 3.94Å; W397-W418 HydrophobicContact CH2-CG 4.24Å; W397-W418 HydrophobicContact CZ2-CB 3.77Å; W397-W418 AromaticContact CZ2-CD1 3.43Å; W397-W418 VanDerWaalsContact CZ2-CD1 3.43Å; W397-W418 AromaticContact CZ2-CD2 3.89Å; W397-W418 HydrophobicContact CZ2-CD2 3.89Å; W397-W418 AromaticContact CZ2-CG 3.41Å; W397-W418 HydrophobicContact CZ2-CG 3.41Å; W397-W418 VanDerWaalsContact CZ2-CG 3.41Å; W397-W418 AromaticContact CZ2-NE1 3.88Å; W397-W418 AromaticContact NE1-CD1 3.96Å; W397-W418 AromaticContact NE1-CD2 3.28Å; W397-W418 VanDerWaalsContact NE1-CD2 3.28Å; W397-W418 AromaticContact NE1-CE2 3.15Å; W397-W418 AromaticContact NE1-CE3 3.62Å; W397-W418 AromaticContact NE1-CG 3.82Å; W397-W418 AromaticContact NE1-CH2 3.75Å; W397-W418 AromaticContact NE1-CZ2 3.42Å; W397-W418 AromaticContact NE1-CZ3 3.82Å; W397-W418 AromaticContact NE1-NE1 3.57Å; W397-W418 PolarHBondContact O-NE1 3.26Å; W418-Q421 PolarHBondContact O-N 3.11Å; W418-L422 HydrophobicContact CZ3-CD2 3.89Å; W418-L422 WeakPolarHBondContact O-CB 3.49Å; W418-L422 PolarHBondContact O-N 3.3Å; W418-V449 HydrophobicContact CH2-CG1 4.13Å; W418-I469 HydrophobicContact CB-CG2 4.36Å; W418-I469 HydrophobicContact CD2-CG2 4.27Å; W418-I469 HydrophobicContact CE3-CG2 3.61Å; W418-I469 HydrophobicContact CZ3-CD1 4.35Å; W418-I469 HydrophobicContact CZ3-CG2 4.25Å; W418-E476 PolarHBondContact N-OE1 2.66Å
419	L	90.2	Very high	81.9	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-72.5	-31.3	-178.9	-177.8	60.6	0	0	0	112.1	Y398 I405 S417 A423 P444 V449	Y398-L419 HydrophobicContact CE2-CD2 4.06Å; I405-L419 HydrophobicContact CD1-CB 4.21Å; I405-L419 HydrophobicContact CD1-CD2 4Å; I405-L419 HydrophobicContact CD1-CG 3.95Å; I405-L419 HydrophobicContact CG2-CD2 4.41Å; S417-L419 PolarHBondContact O-N 3.01Å; S417-L419 VanDerWaalsContact O-N 3.16Å; L419-A423 PolarHBondContact O-N 3.46Å; L419-P444 HydrophobicContact CD1-CG 4.37Å; L419-V449 HydrophobicContact CD1-CG1 3.71Å; L419-V449 HydrophobicContact CD1-CG2 3.98Å
420	Y	88.5	Confident	82.9	Confident	42 Å²	42	60.4 Å²	60.4	17%	0.165	32%	0.322	C	S	.	.	H	α-helix	trans	-74	-42.4	173.1	177.2	-91.7	0	0	0	111.2	I413 N415 S417 L422 A423 M424 Y430	I413-Y420 HydrophobicContact CD1-CD2 3.97Å; I413-Y420 HydrophobicContact CD1-CE2 4.43Å; I413-Y420 HydrophobicContact CG1-CD2 4.3Å; I413-Y420 HydrophobicContact CG2-CD2 4.48Å; I413-Y420 HydrophobicContact CG2-CE2 4.21Å; N415-Y420 HydrophobicContact CB-CD1 4.42Å; N415-Y420 HydrophobicContact CB-CE1 4.01Å; N415-Y420 WeakPolarHBondContact O-CD1 3.49Å; N415-Y420 WeakPolarHBondContact O-CE1 3.35Å; S417-Y420 WeakPolarHBondContact O-CB 3.5Å; S417-Y420 PolarHBondContact O-N 2.95Å; Y420-L422 PolarHBondContact O-N 3.34Å; Y420-A423 WeakPolarHBondContact O-CB 3.31Å; Y420-A423 PolarHBondContact O-N 3.06Å; Y420-A423 VanDerWaalsContact O-N 3.14Å; Y420-M424 HydrophobicContact CD1-SD 4.07Å; Y420-M424 HydrophobicContact CE1-CG 4.15Å; Y420-M424 HydrophobicContact CE1-SD 3.35Å; Y420-M424 WeakPolarHBondContact CE1-SD 3.36Å; Y420-M424 PolarHBondContact O-N 3.26Å; Y420-M424 VanDerWaalsContact O-N 3.15Å; Y420-Y430 HydrophobicContact CD2-CD2 4.29Å
421	Q	88.9	Confident	83.7	Confident	66 Å²	66	63 Å²	63	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-47.4	173.5	-68.5	169.9	-5.1	0	0	111.1	S417 W418 A423 M424 D425 S472	S417-Q421 PolarHBondContact O-N 2.96Å; S417-Q421 VanDerWaalsContact O-N 3.08Å; W418-Q421 PolarHBondContact O-N 3.11Å; Q421-A423 VanDerWaalsContact C-N 3.26Å; Q421-A423 PolarHBondContact O-N 3.18Å; Q421-M424 WeakPolarHBondContact O-CB 3.27Å; Q421-M424 PolarHBondContact O-N 3.11Å; Q421-D425 PolarHBondContact O-N 3.37Å; Q421-S472 PolarHBondContact NE2-OG 3.33Å; Q421-S472 PolarHBondContact OE1-OG 2.94Å
422	L	90.9	Very high	84.1	Confident	15 Å²	15	60.8 Å²	60.8	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-36.5	175.2	-175	71.3	0	0	0	112.9	W418 Y420 M424 I426 V449 I469	W418-L422 HydrophobicContact CZ3-CD2 3.89Å; W418-L422 WeakPolarHBondContact O-CB 3.49Å; W418-L422 PolarHBondContact O-N 3.3Å; Y420-L422 PolarHBondContact O-N 3.34Å; L422-M424 VanDerWaalsContact C-N 3.32Å; L422-I426 HydrophobicContact CD1-CD1 3.76Å; L422-I426 HydrophobicContact CD1-CG1 4.21Å; L422-I426 HydrophobicContact CD2-CD1 4.34Å; L422-I426 HydrophobicContact CG-CD1 3.79Å; L422-I426 HydrophobicContact CG-CG1 4.43Å; L422-I426 WeakPolarHBondContact O-CB 3.06Å; L422-I426 WeakPolarHBondContact O-CG1 3.22Å; L422-I426 PolarHBondContact O-N 3.24Å; L422-I426 VanDerWaalsContact O-N 3.09Å; L422-V449 HydrophobicContact CD2-CG2 4.42Å; L422-I469 HydrophobicContact CD1-CD1 4.18Å
423	A	88.9	Confident	84.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-35.6	176.9	0	0	0	0	0	112.4	L419 Y420 Q421 G427 T428 Y430 P444	L419-A423 PolarHBondContact O-N 3.46Å; Y420-A423 WeakPolarHBondContact O-CB 3.31Å; Y420-A423 PolarHBondContact O-N 3.06Å; Y420-A423 VanDerWaalsContact O-N 3.14Å; Q421-A423 VanDerWaalsContact C-N 3.26Å; Q421-A423 PolarHBondContact O-N 3.18Å; A423-G427 PolarHBondContact O-N 3.23Å; A423-T428 CarbonylContact O-C 3.15Å; A423-T428 PolarHBondContact O-N 3.47Å; A423-Y430 HydrophobicContact CB-CD2 3.81Å; A423-Y430 HydrophobicContact CB-CE2 3.59Å; A423-P444 HydrophobicContact CB-CG 4.22Å
424	M	87.8	Confident	83.6	Confident	105 Å²	105	62.2 Å²	62.2	52%	0.517	34%	0.339	S	S	.	.	H	α-helix	trans	-70.6	-49	174.2	-65.3	-177.2	64.7	0	0	111.6	Y420 Q421 L422 I426 G427	Y420-M424 HydrophobicContact CD1-SD 4.07Å; Y420-M424 HydrophobicContact CE1-CG 4.15Å; Y420-M424 HydrophobicContact CE1-SD 3.35Å; Y420-M424 WeakPolarHBondContact CE1-SD 3.36Å; Y420-M424 PolarHBondContact O-N 3.26Å; Y420-M424 VanDerWaalsContact O-N 3.15Å; Q421-M424 WeakPolarHBondContact O-CB 3.27Å; Q421-M424 PolarHBondContact O-N 3.11Å; L422-M424 VanDerWaalsContact C-N 3.32Å; M424-I426 VanDerWaalsContact C-N 3.32Å; M424-I426 PolarHBondContact O-N 2.92Å; M424-G427 WeakPolarHBondContact O-CA 3.21Å; M424-G427 PolarHBondContact O-N 3.29Å
425	D	88.7	Confident	82.9	Confident	128 Å²	128	63.6 Å²	63.6	68%	0.684	36%	0.362	S	S	*	.	H	α-helix	trans	-63.8	-34.4	-176.7	-75.2	0.2	0	0	0	113.3	Q421 G427	Q421-D425 PolarHBondContact O-N 3.37Å; D425-G427 VanDerWaalsContact C-N 3.26Å
426	I	87.9	Confident	81.8	Confident	73 Å²	73	62.7 Å²	62.7	37%	0.374	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.6	174.8	-66.9	179.3	0	0	0	111.9	L422 M424 T428 P444 S448	L422-I426 HydrophobicContact CD1-CD1 3.76Å; L422-I426 HydrophobicContact CD1-CG1 4.21Å; L422-I426 HydrophobicContact CD2-CD1 4.34Å; L422-I426 HydrophobicContact CG-CD1 3.79Å; L422-I426 HydrophobicContact CG-CG1 4.43Å; L422-I426 WeakPolarHBondContact O-CB 3.06Å; L422-I426 WeakPolarHBondContact O-CG1 3.22Å; L422-I426 PolarHBondContact O-N 3.24Å; L422-I426 VanDerWaalsContact O-N 3.09Å; M424-I426 VanDerWaalsContact C-N 3.32Å; M424-I426 PolarHBondContact O-N 2.92Å; I426-T428 HydrophobicContact CG2-CG2 4.29Å; I426-P444 HydrophobicContact CD1-CB 4.31Å; I426-S448 WeakPolarHBondContact CD1-OG 3.35Å
427	G	85.9	Confident	80.6	Confident	57 Å²	57	59.9 Å²	59.9	59%	0.588	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	19.2	-177.7	0	0	0	0	0	114.2	A423 M424 D425 P429	A423-G427 PolarHBondContact O-N 3.23Å; M424-G427 WeakPolarHBondContact O-CA 3.21Å; M424-G427 PolarHBondContact O-N 3.29Å; D425-G427 VanDerWaalsContact C-N 3.26Å; G427-P429 WeakPolarHBondContact O-CD 3.39Å
428	T	88.1	Confident	79.3	Confident	58 Å²	58	62.8 Å²	62.8	36%	0.356	39%	0.394	S	S	.	.			trans	-120.9	63.2	177.1	58.5	0	0	0	0	111	A423 I426 G443 P444	A423-T428 CarbonylContact O-C 3.15Å; A423-T428 PolarHBondContact O-N 3.47Å; I426-T428 HydrophobicContact CG2-CG2 4.29Å; T428-G443 CarbonylContact O-C 3.43Å; T428-G443 WeakPolarHBondContact O-CA 3.49Å; T428-G443 PolarHBondContact O-N 3.05Å; T428-P444 WeakPolarHBondContact OG1-CA 3.43Å
429	P	85.4	Confident	78.1	Confident	52 Å²	52	69.2 Å²	69.2	34%	0.338	42%	0.422	S	S	.	.			trans	-66.1	159.4	-178.1	29.6	-36.8	0	0	0	112	G427 G443	G427-P429 WeakPolarHBondContact O-CD 3.39Å; P429-G443 PolarHBondContact O-N 3.37Å
430	Y	83.2	Confident	77.2	Confident	46 Å²	46	73 Å²	73	18%	0.18	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.1	171.1	-63.5	-88.5	0	0	0	110.5	I405 I413 Y420 A423	I405-Y430 HydrophobicContact CD1-CD2 4.13Å; I405-Y430 HydrophobicContact CD1-CE1 4.48Å; I405-Y430 HydrophobicContact CD1-CE2 3.47Å; I405-Y430 VanDerWaalsContact CD1-CE2 3.47Å; I413-Y430 VanDerWaalsContact CD1-CB 3.43Å; I413-Y430 HydrophobicContact CD1-CD1 4.17Å; I413-Y430 HydrophobicContact CD1-CD2 3.62Å; I413-Y430 HydrophobicContact CD1-CE2 4.41Å; I413-Y430 HydrophobicContact CD1-CG 3.48Å; I413-Y430 VanDerWaalsContact CD1-CG 3.48Å; Y420-Y430 HydrophobicContact CD2-CD2 4.29Å; A423-Y430 HydrophobicContact CB-CD2 3.81Å; A423-Y430 HydrophobicContact CB-CE2 3.59Å
431	Q	80.4	Confident	76.4	Confident	134 Å²	134	75 Å²	75	63%	0.626	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	145	-179	-60.4	-175.2	2.5	0	0	110	W440 E441	Q431-W440 WeakPolarHBondContact O-CA 3.37Å; Q431-E441 PolarHBondContact N-O 3.01Å; Q431-E441 PolarHBondContact O-N 3.33Å; Q431-E441 VanDerWaalsContact O-O 3.13Å
432	F	74.9	Confident	75.5	Confident	116 Å²	116	74.9 Å²	74.9	51%	0.509	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.4	178.7	-175	-102.4	0	0	0	110.8	G434 W440	F432-G434 PolarHBondContact O-N 2.74Å; F432-G434 VanDerWaalsContact O-N 3.08Å; F432-W440 HydrophobicContact CB-CD2 4.4Å; F432-W440 HydrophobicContact CB-CE3 3.95Å; F432-W440 HydrophobicContact CB-CH2 4.06Å; F432-W440 HydrophobicContact CB-CZ2 4.48Å; F432-W440 HydrophobicContact CB-CZ3 3.78Å; F432-W440 AromaticContact CD2-CD2 3.94Å; F432-W440 HydrophobicContact CD2-CD2 3.94Å; F432-W440 AromaticContact CD2-CE2 3.8Å; F432-W440 HydrophobicContact CD2-CE3 4.35Å; F432-W440 HydrophobicContact CD2-CG 4.34Å; F432-W440 HydrophobicContact CD2-CH2 4.49Å; F432-W440 HydrophobicContact CD2-CZ2 4.08Å
433	N	71.9	Confident	75	Confident	60 Å²	60	75.1 Å²	75.1	32%	0.321	47%	0.469	S	S	.	.			trans	-86.2	81.3	-177.9	-167.4	-17.2	0	0	0	111.6	S435 K439 E441	N433-S435 PolarHBondContact O-N 2.69Å; N433-S435 VanDerWaalsContact O-N 3.12Å; N433-S435 PolarHBondContact OD1-N 3.27Å; N433-K439 PolarHBondContact N-O 3.01Å; N433-E441 WeakPolarHBondContact CB-OE2 3.3Å; N433-E441 PolarHBondContact ND2-OE2 2.95Å
434	G	59.7	Low	75	Confident	63 Å²	63	75.8 Å²	75.8	65%	0.649	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-1.2	-179.2	0	0	0	0	0	115.9	F432	F432-G434 PolarHBondContact O-N 2.74Å; F432-G434 VanDerWaalsContact O-N 3.08Å
435	S	58.8	Low	75	Confident	116 Å²	116	74.5 Å²	74.5	81%	0.811	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	1.9	-169.3	-166.3	0	0	0	0	115.7	N433	N433-S435 PolarHBondContact O-N 2.69Å; N433-S435 VanDerWaalsContact O-N 3.12Å; N433-S435 PolarHBondContact OD1-N 3.27Å
436	G	54.3	Low	74.8	Confident	78 Å²	78	73.1 Å²	73.1	80%	0.804	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179.7	-17.5	177	0	0	0	0	0	119.4
437	S	57.1	Low	74.9	Confident	45 Å²	45	75.1 Å²	75.1	32%	0.315	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-21.8	-175.1	70.2	0	0	0	0	115.1	K439 E441	S437-K439 PolarHBondContact O-N 3Å; S437-K439 PolarHBondContact OG-N 3.2Å; S437-E441 PolarHBondContact OG-OE1 3.37Å
438	G	61.7	Low	75.2	Confident	61 Å²	61	74.3 Å²	74.3	63%	0.629	46%	0.459	S	S	*	.			trans	64.5	25.2	-175.8	0	0	0	0	0	113.3
439	K	67.7	Low	75.4	Confident	137 Å²	137	71.8 Å²	71.8	60%	0.596	44%	0.444	S	S	*	.	S	Bend	trans	-122.5	152.2	-173.1	-70.4	166.6	-171.4	171.6	0	111.7	N433 S437	N433-K439 PolarHBondContact N-O 3.01Å; S437-K439 PolarHBondContact O-N 3Å; S437-K439 PolarHBondContact OG-N 3.2Å
440	W	71.2	Confident	75.8	Confident	82 Å²	82	71.4 Å²	71.4	31%	0.311	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.4	163.4	-67.4	99.1	0	0	0	109	F406 K411 I413 Q431 F432	F406-W440 HydrophobicContact CE1-CB 4.46Å; F406-W440 AromaticContact CE1-CD1 3.98Å; F406-W440 HydrophobicContact CE1-CG 4.27Å; K411-W440 PolarHBondContact O-NE1 3.47Å; K411-W440 VanDerWaalsContact O-NE1 3.12Å; I413-W440 HydrophobicContact CB-CH2 3.93Å; I413-W440 HydrophobicContact CB-CZ2 4.09Å; I413-W440 HydrophobicContact CB-CZ3 4.18Å; I413-W440 HydrophobicContact CG2-CH2 3.71Å; I413-W440 HydrophobicContact CG2-CZ2 4.35Å; I413-W440 HydrophobicContact CG2-CZ3 3.9Å; Q431-W440 WeakPolarHBondContact O-CA 3.37Å; F432-W440 HydrophobicContact CB-CD2 4.4Å; F432-W440 HydrophobicContact CB-CE3 3.95Å; F432-W440 HydrophobicContact CB-CH2 4.06Å; F432-W440 HydrophobicContact CB-CZ2 4.48Å; F432-W440 HydrophobicContact CB-CZ3 3.78Å; F432-W440 AromaticContact CD2-CD2 3.94Å; F432-W440 HydrophobicContact CD2-CD2 3.94Å; F432-W440 AromaticContact CD2-CE2 3.8Å; F432-W440 HydrophobicContact CD2-CE3 4.35Å; F432-W440 HydrophobicContact CD2-CG 4.34Å; F432-W440 HydrophobicContact CD2-CH2 4.49Å; F432-W440 HydrophobicContact CD2-CZ2 4.08Å
441	E	70.4	Confident	76.4	Confident	83 Å²	83	74.1 Å²	74.1	39%	0.388	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.6	-177.6	-69.6	170.7	-174.5	0	0	108.9	Q431 N433 S437	Q431-E441 PolarHBondContact N-O 3.01Å; Q431-E441 PolarHBondContact O-N 3.33Å; Q431-E441 VanDerWaalsContact O-O 3.13Å; N433-E441 WeakPolarHBondContact CB-OE2 3.3Å; N433-E441 PolarHBondContact ND2-OE2 2.95Å; S437-E441 PolarHBondContact OG-OE1 3.37Å
442	G	70.6	Confident	77	Confident	64 Å²	64	68.7 Å²	68.7	66%	0.66	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	93.5	-157.2	-171.8	0	0	0	0	0	114.1
443	G	81.1	Confident	78	Confident	19 Å²	19	63.2 Å²	63.2	20%	0.196	41%	0.406	C	S	.	.			trans	92.2	163.3	-171.3	0	0	0	0	0	114.7	T428 P429	T428-G443 CarbonylContact O-C 3.43Å; T428-G443 WeakPolarHBondContact O-CA 3.49Å; T428-G443 PolarHBondContact O-N 3.05Å; P429-G443 PolarHBondContact O-N 3.37Å
444	P	87.9	Confident	79.1	Confident	15 Å²	15	62.3 Å²	62.3	10%	0.097	40%	0.4	C	S	.	.			trans	-71.1	150.3	-176.7	27.2	-34.6	0	0	0	113.3	L419 A423 I426 T428 V449	L419-P444 HydrophobicContact CD1-CG 4.37Å; A423-P444 HydrophobicContact CB-CG 4.22Å; I426-P444 HydrophobicContact CD1-CB 4.31Å; T428-P444 WeakPolarHBondContact OG1-CA 3.43Å; P444-V449 HydrophobicContact CB-CG2 3.87Å; P444-V449 HydrophobicContact CG-CG2 3.58Å
445	S	88.5	Confident	80.9	Confident	78 Å²	78	63 Å²	63	55%	0.545	38%	0.384	S	S	.	.			trans	-64.7	142.2	-178.4	74.5	0	0	0	0	112.7	N447 S448 V449	S445-N447 PolarHBondContact O-N 2.73Å; S445-N447 VanDerWaalsContact O-N 3.12Å; S445-S448 WeakPolarHBondContact O-CA 3.48Å; S445-S448 WeakPolarHBondContact O-CB 3.47Å; S445-S448 PolarHBondContact O-N 2.89Å; S445-S448 WeakPolarHBondContact OG-CB 3.35Å; S445-S448 PolarHBondContact OG-N 3.3Å; S445-V449 PolarHBondContact O-N 3.08Å
446	K	84.9	Confident	82.6	Confident	99 Å²	99	57.9 Å²	57.9	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-52.9	-37.4	-177.7	-69.2	-163.1	173.6	-163.2	0	113.8	F241 K242 V449 Y450	F241-K446 PolarHBondContact O-NZ 3.46Å; K242-K446 PolarHBondContact O-NZ 2.89Å; K242-K446 VanDerWaalsContact O-NZ 3.1Å; K446-V449 PolarHBondContact O-N 3.42Å; K446-Y450 PolarHBondContact O-N 3.4Å
447	N	89.4	Confident	84.6	Confident	115 Å²	115	54.2 Å²	54.2	62%	0.615	31%	0.309	S	S	*	.	H	α-helix	trans	-66.5	-42.5	176.4	-70	10.1	0	0	0	111.4	S445 Y450 I451	S445-N447 PolarHBondContact O-N 2.73Å; S445-N447 VanDerWaalsContact O-N 3.12Å; N447-Y450 PolarHBondContact O-N 3.42Å; N447-I451 WeakPolarHBondContact O-CG1 3.46Å; N447-I451 PolarHBondContact O-N 3.28Å; N447-I451 VanDerWaalsContact O-N 3.08Å
448	S	91.3	Very high	86.4	Confident	39 Å²	39	55.3 Å²	55.3	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-44.5	175.6	-161	0	0	0	0	111.3	I426 S445 Y450 I451 S452	I426-S448 WeakPolarHBondContact CD1-OG 3.35Å; S445-S448 WeakPolarHBondContact O-CA 3.48Å; S445-S448 WeakPolarHBondContact O-CB 3.47Å; S445-S448 PolarHBondContact O-N 2.89Å; S445-S448 WeakPolarHBondContact OG-CB 3.35Å; S445-S448 PolarHBondContact OG-N 3.3Å; S448-Y450 VanDerWaalsContact C-N 3.34Å; S448-Y450 PolarHBondContact O-N 3.16Å; S448-I451 PolarHBondContact O-N 2.7Å; S448-S452 WeakPolarHBondContact O-CB 3.5Å; S448-S452 PolarHBondContact O-N 2.82Å; S448-S452 PolarHBondContact O-OG 3.5Å; S448-S452 VanDerWaalsContact O-OG 3.11Å
449	V	92.4	Very high	88	Confident	5 Å²	5	53 Å²	53	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-40.5	178.5	-179.2	0	0	0	0	111.6	F241 Y398 W418 L419 L422 P444 S445 K446 S453	F241-V449 HydrophobicContact CE1-CG1 4.27Å; Y398-V449 HydrophobicContact CD2-CG1 3.39Å; Y398-V449 HydrophobicContact CE2-CG1 3.73Å; Y398-V449 HydrophobicContact CG-CG1 4.28Å; W418-V449 HydrophobicContact CH2-CG1 4.13Å; L419-V449 HydrophobicContact CD1-CG1 3.71Å; L419-V449 HydrophobicContact CD1-CG2 3.98Å; L422-V449 HydrophobicContact CD2-CG2 4.42Å; P444-V449 HydrophobicContact CB-CG2 3.87Å; P444-V449 HydrophobicContact CG-CG2 3.58Å; S445-V449 PolarHBondContact O-N 3.08Å; K446-V449 PolarHBondContact O-N 3.42Å; V449-S453 WeakPolarHBondContact O-CB 3.48Å; V449-S453 PolarHBondContact O-N 3.26Å
450	Y	94.5	Very high	89.3	Confident	44 Å²	44	47.4 Å²	47.4	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-47.5	174.3	173.1	-107.2	0	0	0	112.4	Y237 F241 H391 K446 N447 S448 S453 L454	Y237-Y450 AromaticContact CD2-CD2 3.92Å; Y237-Y450 HydrophobicContact CD2-CD2 3.92Å; Y237-Y450 HydrophobicContact CD2-CE2 4.08Å; Y237-Y450 HydrophobicContact CD2-CG 4.42Å; Y237-Y450 AromaticContact CE2-CD2 3.94Å; Y237-Y450 HydrophobicContact CE2-CD2 3.94Å; Y237-Y450 HydrophobicContact CE2-CE2 4.45Å; Y237-Y450 AromaticContact CE2-CG 4Å; Y237-Y450 HydrophobicContact CE2-CG 4Å; F241-Y450 HydrophobicContact CD2-CD2 4.42Å; F241-Y450 AromaticContact CE2-CD2 3.67Å; F241-Y450 HydrophobicContact CE2-CD2 3.67Å; F241-Y450 AromaticContact CZ-CD2 3.75Å; F241-Y450 HydrophobicContact CZ-CD2 3.75Å; F241-Y450 HydrophobicContact CZ-CG 4.28Å; H391-Y450 AromaticContact CE1-CE2 3.77Å; H391-Y450 AromaticContact ND1-CE2 3.57Å; H391-Y450 AromaticContact ND1-CZ 3.67Å; H391-Y450 PolarHBondContact ND1-OH 2.98Å; K446-Y450 PolarHBondContact O-N 3.4Å; N447-Y450 PolarHBondContact O-N 3.42Å; S448-Y450 VanDerWaalsContact C-N 3.34Å; S448-Y450 PolarHBondContact O-N 3.16Å; Y450-S453 PolarHBondContact O-N 3.12Å; Y450-L454 HydrophobicContact CE1-CD2 4.41Å; Y450-L454 WeakPolarHBondContact O-CB 3.16Å; Y450-L454 PolarHBondContact O-N 3.25Å
451	I	94.9	Very high	90.3	Very high	104 Å²	104	43.6 Å²	43.6	53%	0.533	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-42.7	179.4	-65	-63.9	0	0	0	111.4	N447 S448 L454 Y455	N447-I451 WeakPolarHBondContact O-CG1 3.46Å; N447-I451 PolarHBondContact O-N 3.28Å; N447-I451 VanDerWaalsContact O-N 3.08Å; S448-I451 PolarHBondContact O-N 2.7Å; I451-L454 PolarHBondContact O-N 3.41Å; I451-Y455 VanDerWaalsContact O-CB 3.29Å; I451-Y455 WeakPolarHBondContact O-CB 3.48Å; I451-Y455 PolarHBondContact O-N 2.69Å
452	S	94.6	Very high	91.5	Very high	20 Å²	20	41.4 Å²	41.4	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-40.8	174.8	-68.7	0	0	0	0	112.5	S448 Y455 F456 I469	S448-S452 WeakPolarHBondContact O-CB 3.5Å; S448-S452 PolarHBondContact O-N 2.82Å; S448-S452 PolarHBondContact O-OG 3.5Å; S448-S452 VanDerWaalsContact O-OG 3.11Å; S452-Y455 PolarHBondContact O-N 2.78Å; S452-F456 PolarHBondContact O-N 2.94Å; S452-I469 WeakPolarHBondContact O-CD1 3.41Å
453	S	95.1	Very high	92.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-46.9	175.2	-174	0	0	0	0	111.9	A394 V449 Y450 Y455 F456 T457	A394-S453 VanDerWaalsContact CA-OG 3.3Å; A394-S453 WeakPolarHBondContact CA-OG 3.31Å; A394-S453 PolarHBondContact O-OG 3.35Å; V449-S453 WeakPolarHBondContact O-CB 3.48Å; V449-S453 PolarHBondContact O-N 3.26Å; Y450-S453 PolarHBondContact O-N 3.12Å; S453-Y455 VanDerWaalsContact C-N 3.34Å; S453-Y455 PolarHBondContact O-N 3.1Å; S453-F456 PolarHBondContact O-N 3.32Å; S453-T457 PolarHBondContact O-N 3.26Å; S453-T457 PolarHBondContact O-OG1 3.29Å
454	L	95.8	Very high	93.3	Very high	41 Å²	41	46 Å²	46	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-38	177.5	-175.5	64.2	0	0	0	112	A390 H391 A394 Y450 I451 T457 M458	A390-L454 HydrophobicContact CB-CD1 4.18Å; H391-L454 HydrophobicContact CB-CD1 4.48Å; A394-L454 HydrophobicContact CB-CB 4.16Å; A394-L454 HydrophobicContact CB-CD1 4.13Å; Y450-L454 HydrophobicContact CE1-CD2 4.41Å; Y450-L454 WeakPolarHBondContact O-CB 3.16Å; Y450-L454 PolarHBondContact O-N 3.25Å; I451-L454 PolarHBondContact O-N 3.41Å; L454-T457 PolarHBondContact O-OG1 3.27Å; L454-M458 HydrophobicContact CD1-CG 4.33Å; L454-M458 HydrophobicContact CG-CG 4.37Å; L454-M458 VanDerWaalsContact O-CB 3.22Å; L454-M458 WeakPolarHBondContact O-CB 3.33Å; L454-M458 WeakPolarHBondContact O-CG 3.41Å; L454-M458 PolarHBondContact O-N 3.43Å
455	Y	95.8	Very high	93.4	Very high	79 Å²	79	47.8 Å²	47.8	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-50.2	172	164.8	-99.2	0	0	0	111.3	I451 S452 S453 T457 M458 T459 F466 N468 I469	I451-Y455 VanDerWaalsContact O-CB 3.29Å; I451-Y455 WeakPolarHBondContact O-CB 3.48Å; I451-Y455 PolarHBondContact O-N 2.69Å; S452-Y455 PolarHBondContact O-N 2.78Å; S453-Y455 VanDerWaalsContact C-N 3.34Å; S453-Y455 PolarHBondContact O-N 3.1Å; Y455-T457 PolarHBondContact O-N 3.23Å; Y455-M458 PolarHBondContact O-N 3.36Å; Y455-T459 HydrophobicContact CD2-CG2 4.11Å; Y455-T459 HydrophobicContact CE2-CG2 3.88Å; Y455-T459 WeakPolarHBondContact O-CG2 3.45Å; Y455-T459 PolarHBondContact O-N 2.98Å; Y455-T459 PolarHBondContact O-OG1 3Å; Y455-F466 AromaticContact CE2-CD2 3.87Å; Y455-F466 HydrophobicContact CE2-CD2 3.87Å; Y455-F466 HydrophobicContact CE2-CE2 4.22Å; Y455-F466 AromaticContact CZ-CD2 3.82Å; Y455-F466 WeakPolarHBondContact OH-CB 3.31Å; Y455-F466 VanDerWaalsContact OH-CD2 3.23Å; Y455-F466 WeakPolarHBondContact OH-CD2 3.48Å; Y455-N468 HydrophobicContact CE1-CB 4.39Å; Y455-I469 HydrophobicContact CD1-CD1 4.2Å
456	F	95.5	Very high	93.6	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-53.9	-56	176.2	171.1	-107.1	0	0	0	111	W397 S452 S453 M458 T459 S460 I469	W397-F456 AromaticContact CD1-CD1 3.57Å; W397-F456 AromaticContact CD2-CD1 3.66Å; W397-F456 HydrophobicContact CD2-CD1 3.66Å; W397-F456 AromaticContact CD2-CE1 3.51Å; W397-F456 HydrophobicContact CD2-CE1 3.51Å; W397-F456 HydrophobicContact CD2-CZ 4.46Å; W397-F456 AromaticContact CE2-CD1 3.38Å; W397-F456 AromaticContact CE2-CE1 3.39Å; W397-F456 HydrophobicContact CE3-CD1 4.42Å; W397-F456 AromaticContact CE3-CE1 3.81Å; W397-F456 HydrophobicContact CE3-CE1 3.81Å; W397-F456 AromaticContact CG-CD1 3.76Å; W397-F456 HydrophobicContact CG-CD1 3.76Å; W397-F456 HydrophobicContact CG-CE1 4.05Å; W397-F456 AromaticContact CH2-CE1 3.88Å; W397-F456 HydrophobicContact CH2-CE1 3.88Å; W397-F456 AromaticContact CH2-CZ 3.9Å; W397-F456 HydrophobicContact CH2-CZ 3.9Å; W397-F456 AromaticContact CZ2-CD1 3.93Å; W397-F456 HydrophobicContact CZ2-CD1 3.93Å; W397-F456 AromaticContact CZ2-CE1 3.6Å; W397-F456 HydrophobicContact CZ2-CE1 3.6Å; W397-F456 HydrophobicContact CZ2-CE2 4.28Å; W397-F456 HydrophobicContact CZ2-CG 4.4Å; W397-F456 AromaticContact CZ2-CZ 3.79Å; W397-F456 HydrophobicContact CZ2-CZ 3.79Å; W397-F456 AromaticContact CZ3-CE1 3.98Å; W397-F456 HydrophobicContact CZ3-CE1 3.98Å; W397-F456 HydrophobicContact CZ3-CZ 4.3Å; W397-F456 AromaticContact NE1-CD1 3.33Å; W397-F456 VanDerWaalsContact NE1-CD1 3.33Å; W397-F456 AromaticContact NE1-CE1 3.87Å; W397-F456 AromaticContact NE1-CG 3.77Å; S452-F456 PolarHBondContact O-N 2.94Å; S453-F456 PolarHBondContact O-N 3.32Å; F456-M458 PolarHBondContact O-N 2.87Å; F456-T459 PolarHBondContact O-N 3.44Å; F456-T459 PolarHBondContact O-OG1 2.61Å; F456-S460 PolarHBondContact O-N 3.37Å; F456-S460 PolarHBondContact O-OG 3.24Å; F456-I469 HydrophobicContact CB-CB 4.25Å; F456-I469 HydrophobicContact CB-CG2 4Å; F456-I469 HydrophobicContact CD2-CB 4.14Å; F456-I469 HydrophobicContact CD2-CG2 3.88Å; F456-I469 VanDerWaalsContact CD2-O 3.29Å; F456-I469 WeakPolarHBondContact CD2-O 3.44Å; F456-I469 HydrophobicContact CG-CG2 4.04Å
457	T	95.7	Very high	93.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-35.5	-176.4	61	0	0	0	0	113.4	A390 M393 A394 W397 S453 L454 Y455 T459 S460 L461 I483	A390-T457 PolarHBondContact O-OG1 3.45Å; M393-T457 HydrophobicContact CB-CG2 3.96Å; A394-T457 HydrophobicContact CB-CG2 4.29Å; W397-T457 HydrophobicContact CB-CG2 4.28Å; S453-T457 PolarHBondContact O-N 3.26Å; S453-T457 PolarHBondContact O-OG1 3.29Å; L454-T457 PolarHBondContact O-OG1 3.27Å; Y455-T457 PolarHBondContact O-N 3.23Å; T457-T459 VanDerWaalsContact C-N 3.35Å; T457-S460 PolarHBondContact O-N 2.72Å; T457-L461 WeakPolarHBondContact O-CB 3.41Å; T457-L461 VanDerWaalsContact O-CG 3.22Å; T457-L461 WeakPolarHBondContact O-CG 3.37Å; T457-L461 PolarHBondContact O-N 3.46Å; T457-I483 HydrophobicContact CG2-CD1 3.67Å
458	M	95.1	Very high	93.6	Very high	69 Å²	69	47.9 Å²	47.9	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-44.7	170.4	-77.9	-69.2	-66.4	0	0	111.1	F386 A390 L454 Y455 F456 S460 L461 T462	F386-M458 HydrophobicContact CE1-CE 4.07Å; F386-M458 HydrophobicContact CE1-SD 3.99Å; A390-M458 HydrophobicContact CB-CG 4.12Å; A390-M458 HydrophobicContact CB-SD 3.55Å; A390-M458 VanDerWaalsContact CB-SD 3.55Å; L454-M458 HydrophobicContact CD1-CG 4.33Å; L454-M458 HydrophobicContact CG-CG 4.37Å; L454-M458 VanDerWaalsContact O-CB 3.22Å; L454-M458 WeakPolarHBondContact O-CB 3.33Å; L454-M458 WeakPolarHBondContact O-CG 3.41Å; L454-M458 PolarHBondContact O-N 3.43Å; Y455-M458 PolarHBondContact O-N 3.36Å; F456-M458 PolarHBondContact O-N 2.87Å; M458-S460 VanDerWaalsContact C-N 3.33Å; M458-S460 PolarHBondContact O-N 2.75Å; M458-L461 PolarHBondContact O-N 3.21Å; M458-T462 WeakPolarHBondContact O-CB 3.22Å; M458-T462 WeakPolarHBondContact O-CG2 3.43Å; M458-T462 PolarHBondContact O-N 3.27Å; M458-T462 PolarHBondContact O-OG1 2.69Å
459	T	95	Very high	93.6	Very high	12 Å²	12	47 Å²	47	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-29	-179.6	66.1	0	0	0	0	113.1	Y455 F456 T457 S463 V464 G465 F466	Y455-T459 HydrophobicContact CD2-CG2 4.11Å; Y455-T459 HydrophobicContact CE2-CG2 3.88Å; Y455-T459 WeakPolarHBondContact O-CG2 3.45Å; Y455-T459 PolarHBondContact O-N 2.98Å; Y455-T459 PolarHBondContact O-OG1 3Å; F456-T459 PolarHBondContact O-N 3.44Å; F456-T459 PolarHBondContact O-OG1 2.61Å; T457-T459 VanDerWaalsContact C-N 3.35Å; T459-S463 PolarHBondContact O-N 2.83Å; T459-V464 PolarHBondContact O-N 3.06Å; T459-G465 PolarHBondContact O-N 3.2Å; T459-F466 HydrophobicContact CG2-CD2 3.5Å; T459-F466 HydrophobicContact CG2-CE2 3.95Å
460	S	94.8	Very high	93.5	Very high	19 Å²	19	48.5 Å²	48.5	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-72.3	-47.9	170.4	-45.1	0	0	0	0	112.1	F456 T457 M458 T462 S463	F456-S460 PolarHBondContact O-N 3.37Å; F456-S460 PolarHBondContact O-OG 3.24Å; T457-S460 PolarHBondContact O-N 2.72Å; M458-S460 VanDerWaalsContact C-N 3.33Å; M458-S460 PolarHBondContact O-N 2.75Å; S460-T462 VanDerWaalsContact C-N 3.33Å; S460-T462 PolarHBondContact O-N 3.06Å; S460-S463 PolarHBondContact O-N 2.95Å; S460-S463 VanDerWaalsContact O-N 3.11Å
461	L	93.9	Very high	93.5	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-70.5	-25.9	-176.8	-69.9	171.1	0	0	0	113.6	F386 A390 T457 M458 I483 G487	F386-L461 HydrophobicContact CE2-CB 3.9Å; F386-L461 HydrophobicContact CZ-CB 3.79Å; A390-L461 VanDerWaalsContact CA-CD1 3.44Å; A390-L461 HydrophobicContact CB-CD1 3.62Å; T457-L461 WeakPolarHBondContact O-CB 3.41Å; T457-L461 VanDerWaalsContact O-CG 3.22Å; T457-L461 WeakPolarHBondContact O-CG 3.37Å; T457-L461 PolarHBondContact O-N 3.46Å; M458-L461 PolarHBondContact O-N 3.21Å; L461-I483 HydrophobicContact CD1-CD1 4.41Å; L461-I483 HydrophobicContact CD2-CD1 4.29Å; L461-I483 HydrophobicContact CD2-CG1 3.66Å; L461-I483 HydrophobicContact CG-CD1 4.02Å; L461-I483 HydrophobicContact CG-CG1 3.93Å; L461-G487 VanDerWaalsContact CD2-CA 3.43Å
462	T	94.1	Very high	93.3	Very high	38 Å²	38	45.4 Å²	45.4	23%	0.233	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.8	171.8	56.5	0	0	0	0	113.5	F386 M458 S460 V464	F386-T462 HydrophobicContact CE1-CG2 4.17Å; F386-T462 HydrophobicContact CZ-CG2 3.78Å; M458-T462 WeakPolarHBondContact O-CB 3.22Å; M458-T462 WeakPolarHBondContact O-CG2 3.43Å; M458-T462 PolarHBondContact O-N 3.27Å; M458-T462 PolarHBondContact O-OG1 2.69Å; S460-T462 VanDerWaalsContact C-N 3.33Å; S460-T462 PolarHBondContact O-N 3.06Å; T462-V464 PolarHBondContact O-N 3.42Å; T462-V464 WeakPolarHBondContact OG1-CG2 3.46Å
463	S	93.5	Very high	93.1	Very high	99 Å²	99	45 Å²	45	69%	0.692	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.3	-176.8	64.1	0	0	0	0	116.3	T459 S460	T459-S463 PolarHBondContact O-N 2.83Å; S460-S463 PolarHBondContact O-N 2.95Å; S460-S463 VanDerWaalsContact O-N 3.11Å
464	V	95.5	Very high	92.9	Very high	79 Å²	79	50.3 Å²	50.3	48%	0.479	31%	0.305	S	S	.	.			trans	-83	-39.3	-178.9	175.2	0	0	0	0	112.8	T459 T462 F466	T459-V464 PolarHBondContact O-N 3.06Å; T462-V464 PolarHBondContact O-N 3.42Å; T462-V464 WeakPolarHBondContact OG1-CG2 3.46Å; V464-F466 HydrophobicContact CG1-CD1 3.98Å; V464-F466 HydrophobicContact CG1-CD2 3.97Å; V464-F466 HydrophobicContact CG1-CE1 3.64Å; V464-F466 HydrophobicContact CG1-CE2 3.63Å; V464-F466 HydrophobicContact CG1-CG 4.13Å; V464-F466 HydrophobicContact CG1-CZ 3.46Å; V464-F466 VanDerWaalsContact CG1-CZ 3.46Å; V464-F466 PolarHBondContact O-N 3.41Å
465	G	91.3	Very high	92.7	Very high	54 Å²	54	51.8 Å²	51.8	56%	0.557	31%	0.312	S	S	*	.			trans	53.6	49.5	168.1	0	0	0	0	0	117.5	T459 G467	T459-G465 PolarHBondContact O-N 3.2Å; G465-G467 PolarHBondContact O-N 3.23Å
466	F	91.9	Very high	92.6	Very high	130 Å²	130	48 Å²	48	57%	0.57	30%	0.297	S	S	*	.			trans	-56.4	-22.7	-175.9	-69.1	-61.2	0	0	0	116.3	Y455 T459 V464 N468	Y455-F466 AromaticContact CE2-CD2 3.87Å; Y455-F466 HydrophobicContact CE2-CD2 3.87Å; Y455-F466 HydrophobicContact CE2-CE2 4.22Å; Y455-F466 AromaticContact CZ-CD2 3.82Å; Y455-F466 WeakPolarHBondContact OH-CB 3.31Å; Y455-F466 VanDerWaalsContact OH-CD2 3.23Å; Y455-F466 WeakPolarHBondContact OH-CD2 3.48Å; T459-F466 HydrophobicContact CG2-CD2 3.5Å; T459-F466 HydrophobicContact CG2-CE2 3.95Å; V464-F466 HydrophobicContact CG1-CD1 3.98Å; V464-F466 HydrophobicContact CG1-CD2 3.97Å; V464-F466 HydrophobicContact CG1-CE1 3.64Å; V464-F466 HydrophobicContact CG1-CE2 3.63Å; V464-F466 HydrophobicContact CG1-CG 4.13Å; V464-F466 HydrophobicContact CG1-CZ 3.46Å; V464-F466 VanDerWaalsContact CG1-CZ 3.46Å; V464-F466 PolarHBondContact O-N 3.41Å; F466-N468 PolarHBondContact O-N 3.37Å
467	G	86.9	Confident	92.6	Very high	49 Å²	49	51.8 Å²	51.8	51%	0.505	31%	0.314	S	S	.	.	S	Bend	trans	87.2	-15.8	174.8	0	0	0	0	0	116.6	G465 I469	G465-G467 PolarHBondContact O-N 3.23Å; G467-I469 PolarHBondContact O-N 3.13Å; G467-I469 VanDerWaalsContact O-N 3.07Å
468	N	87.6	Confident	92.6	Very high	115 Å²	115	57.8 Å²	57.8	62%	0.615	34%	0.344	S	S	*	.	S	Bend	trans	-56.4	-25.2	178.2	-62.6	7.5	0	0	0	114.2	Y455 F466	Y455-N468 HydrophobicContact CE1-CB 4.39Å; F466-N468 PolarHBondContact O-N 3.37Å
469	I	92.1	Very high	92.6	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.097	33%	0.332	C	S	.	.	S	Bend	trans	-130.3	125.7	168.6	-61.9	175.2	0	0	0	105.4	W397 W418 L422 S452 Y455 F456 G467	W397-I469 HydrophobicContact CZ2-CG2 4.36Å; W418-I469 HydrophobicContact CB-CG2 4.36Å; W418-I469 HydrophobicContact CD2-CG2 4.27Å; W418-I469 HydrophobicContact CE3-CG2 3.61Å; W418-I469 HydrophobicContact CZ3-CD1 4.35Å; W418-I469 HydrophobicContact CZ3-CG2 4.25Å; L422-I469 HydrophobicContact CD1-CD1 4.18Å; S452-I469 WeakPolarHBondContact O-CD1 3.41Å; Y455-I469 HydrophobicContact CD1-CD1 4.2Å; F456-I469 HydrophobicContact CB-CB 4.25Å; F456-I469 HydrophobicContact CB-CG2 4Å; F456-I469 HydrophobicContact CD2-CB 4.14Å; F456-I469 HydrophobicContact CD2-CG2 3.88Å; F456-I469 VanDerWaalsContact CD2-O 3.29Å; F456-I469 WeakPolarHBondContact CD2-O 3.44Å; F456-I469 HydrophobicContact CG-CG2 4.04Å; G467-I469 PolarHBondContact O-N 3.13Å; G467-I469 VanDerWaalsContact O-N 3.07Å
470	A	90.6	Very high	92.6	Very high	37 Å²	37	55.2 Å²	55.2	31%	0.306	33%	0.332	S	S	.	.			trans	-142.3	147.1	-172	0	0	0	0	0	112	S472	A470-S472 PolarHBondContact O-N 3.33Å
471	P	93.6	Very high	92.6	Very high	42 Å²	42	58.7 Å²	58.7	27%	0.273	35%	0.352	S	S	.	.			trans	-70.1	118.7	176.6	31.2	-37.5	0	0	0	111.5	W397 E476 K477 A480	W397-P471 HydrophobicContact CH2-CB 4.04Å; P471-E476 HydrophobicContact CB-CB 3.86Å; P471-E476 WeakPolarHBondContact CB-O 3.45Å; P471-K477 HydrophobicContact CB-CG 4.08Å; P471-K477 HydrophobicContact CG-CG 4.48Å; P471-A480 HydrophobicContact CB-CB 3.86Å; P471-A480 HydrophobicContact CG-CB 3.57Å
472	S	90.3	Very high	92.7	Very high	41 Å²	41	60.7 Å²	60.7	29%	0.287	37%	0.369	S	S	.	.			trans	-111.1	-35.9	-175.1	-70.8	0	0	0	0	112.3	N416 Q421 A470 E476 K477	N416-S472 WeakPolarHBondContact O-CB 3.44Å; Q421-S472 PolarHBondContact NE2-OG 3.33Å; Q421-S472 PolarHBondContact OE1-OG 2.94Å; A470-S472 PolarHBondContact O-N 3.33Å; S472-E476 PolarHBondContact N-OE2 2.87Å; S472-K477 WeakPolarHBondContact O-CE 3.31Å; S472-K477 PolarHBondContact O-NZ 3.11Å
473	T	90.9	Very high	92.7	Very high	12 Å²	12	58.9 Å²	58.9	7%	0.074	36%	0.358	C	S	.	.	S	Bend	trans	-90	168.1	174.5	86.1	0	0	0	0	112	E404 E476 K477	E404-T473 WeakPolarHBondContact OE2-CB 3.19Å; E404-T473 VanDerWaalsContact OE2-CG2 3.26Å; E404-T473 WeakPolarHBondContact OE2-CG2 3.48Å; E404-T473 PolarHBondContact OE2-OG1 3.34Å; T473-E476 PolarHBondContact N-OE2 3.43Å; T473-E476 WeakPolarHBondContact O-CB 3.44Å; T473-E476 PolarHBondContact O-N 2.91Å; T473-E476 WeakPolarHBondContact OG1-CG 3.43Å; T473-K477 WeakPolarHBondContact O-CE 3.45Å; T473-K477 VanDerWaalsContact O-CG 3.25Å; T473-K477 WeakPolarHBondContact O-CG 3.34Å; T473-K477 PolarHBondContact O-N 3.31Å
474	D	91.3	Very high	92.8	Very high	111 Å²	111	59.2 Å²	59.2	59%	0.594	35%	0.35	S	S	*	.	H	α-helix	trans	-77.3	-33.5	-169.4	-64	-25	0	0	0	113.1	K477 I478	D474-K477 PolarHBondContact O-N 3.09Å; D474-K477 IonicContact OD1-NZ 2.71Å; D474-K477 PolarHBondContact OD1-NZ 2.92Å; D474-I478 WeakPolarHBondContact O-CD1 3.47Å; D474-I478 VanDerWaalsContact O-CG1 3.28Å; D474-I478 WeakPolarHBondContact O-CG1 3.33Å; D474-I478 PolarHBondContact O-N 2.85Å
475	I	91.4	Very high	92.7	Very high	73 Å²	73	61.1 Å²	61.1	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-68.6	-37.1	170.1	-170.6	166.3	0	0	0	111.7	I400 E404 K477 I478 F479	I400-I475 HydrophobicContact CG2-CG2 4.11Å; E404-I475 HydrophobicContact CG-CG2 3.46Å; E404-I475 VanDerWaalsContact CG-CG2 3.46Å; I475-K477 VanDerWaalsContact C-N 3.34Å; I475-K477 PolarHBondContact O-N 3.1Å; I475-I478 PolarHBondContact O-N 2.85Å; I475-F479 WeakPolarHBondContact O-CB 3.47Å; I475-F479 PolarHBondContact O-N 2.9Å
476	E	93.9	Very high	92.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-43.3	171.6	-72.2	173.3	178.7	0	0	111.3	W397 I400 S417 W418 P471 S472 T473 F479 A480	W397-E476 HydrophobicContact CH2-CB 3.79Å; W397-E476 HydrophobicContact CH2-CG 3.9Å; W397-E476 HydrophobicContact CZ3-CB 3.81Å; W397-E476 HydrophobicContact CZ3-CG 3.95Å; I400-E476 HydrophobicContact CG2-CG 4.08Å; S417-E476 VanDerWaalsContact CA-OE1 3.3Å; S417-E476 WeakPolarHBondContact CA-OE1 3.42Å; S417-E476 WeakPolarHBondContact CB-OE1 3.35Å; S417-E476 PolarHBondContact OG-OE1 3.38Å; W418-E476 PolarHBondContact N-OE1 2.66Å; P471-E476 HydrophobicContact CB-CB 3.86Å; P471-E476 WeakPolarHBondContact CB-O 3.45Å; S472-E476 PolarHBondContact N-OE2 2.87Å; T473-E476 PolarHBondContact N-OE2 3.43Å; T473-E476 WeakPolarHBondContact O-CB 3.44Å; T473-E476 PolarHBondContact O-N 2.91Å; T473-E476 WeakPolarHBondContact OG1-CG 3.43Å; E476-F479 PolarHBondContact O-N 3.39Å; E476-A480 WeakPolarHBondContact O-CB 3.3Å; E476-A480 PolarHBondContact O-N 3.49Å
477	K	94.6	Very high	92.9	Very high	87 Å²	87	56.1 Å²	56.1	38%	0.378	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-42.7	177	-69.8	162.1	-154.7	151.4	0	112.7	P471 S472 T473 D474 I475 F479 A480 V481	P471-K477 HydrophobicContact CB-CG 4.08Å; P471-K477 HydrophobicContact CG-CG 4.48Å; S472-K477 WeakPolarHBondContact O-CE 3.31Å; S472-K477 PolarHBondContact O-NZ 3.11Å; T473-K477 WeakPolarHBondContact O-CE 3.45Å; T473-K477 VanDerWaalsContact O-CG 3.25Å; T473-K477 WeakPolarHBondContact O-CG 3.34Å; T473-K477 PolarHBondContact O-N 3.31Å; D474-K477 PolarHBondContact O-N 3.09Å; D474-K477 IonicContact OD1-NZ 2.71Å; D474-K477 PolarHBondContact OD1-NZ 2.92Å; I475-K477 VanDerWaalsContact C-N 3.34Å; I475-K477 PolarHBondContact O-N 3.1Å; K477-F479 VanDerWaalsContact C-N 3.32Å; K477-F479 PolarHBondContact O-N 3.12Å; K477-A480 WeakPolarHBondContact O-CB 3.33Å; K477-A480 PolarHBondContact O-N 2.87Å; K477-V481 WeakPolarHBondContact O-CG2 3.5Å; K477-V481 PolarHBondContact O-N 2.97Å
478	I	95.6	Very high	93.2	Very high	125 Å²	125	57 Å²	57	64%	0.641	32%	0.319	S	S	*	.	H	α-helix	trans	-60.8	-44.4	176.8	-70.6	163.6	0	0	0	110.1	D474 I475 V481 A482	D474-I478 WeakPolarHBondContact O-CD1 3.47Å; D474-I478 VanDerWaalsContact O-CG1 3.28Å; D474-I478 WeakPolarHBondContact O-CG1 3.33Å; D474-I478 PolarHBondContact O-N 2.85Å; I475-I478 PolarHBondContact O-N 2.85Å; I478-V481 PolarHBondContact O-N 3.36Å; I478-A482 PolarHBondContact O-N 2.93Å; I478-A482 VanDerWaalsContact O-N 3.09Å
479	F	95.7	Very high	93.4	Very high	20 Å²	20	56.7 Å²	56.7	9%	0.088	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-41.7	173.6	179.1	-94.4	0	0	0	112.3	M393 I396 W397 I400 I475 E476 K477 V481 A482 I483	M393-F479 HydrophobicContact CB-CZ 4.14Å; M393-F479 HydrophobicContact CE-CD2 4.34Å; M393-F479 HydrophobicContact CE-CE1 4.42Å; M393-F479 HydrophobicContact CE-CE2 3.46Å; M393-F479 VanDerWaalsContact CE-CE2 3.46Å; M393-F479 HydrophobicContact CE-CZ 3.53Å; M393-F479 WeakPolarHBondContact O-CZ 3.31Å; M393-F479 HydrophobicContact SD-CE2 4.23Å; M393-F479 HydrophobicContact SD-CZ 4.27Å; I396-F479 HydrophobicContact CB-CE2 3.94Å; I396-F479 HydrophobicContact CB-CZ 4.25Å; I396-F479 HydrophobicContact CG2-CD2 4.02Å; I396-F479 HydrophobicContact CG2-CE2 3.43Å; I396-F479 VanDerWaalsContact CG2-CE2 3.43Å; I396-F479 HydrophobicContact CG2-CZ 4.15Å; W397-F479 HydrophobicContact CB-CE1 3.92Å; W397-F479 HydrophobicContact CB-CZ 4.24Å; W397-F479 HydrophobicContact CD2-CD1 4.37Å; W397-F479 HydrophobicContact CD2-CE1 4.23Å; W397-F479 AromaticContact CE3-CD1 3.36Å; W397-F479 HydrophobicContact CE3-CD1 3.36Å; W397-F479 AromaticContact CE3-CE1 3.64Å; W397-F479 HydrophobicContact CE3-CE1 3.64Å; W397-F479 HydrophobicContact CE3-CG 4.3Å; W397-F479 HydrophobicContact CG-CE1 4.39Å; W397-F479 AromaticContact CZ3-CD1 3.82Å; W397-F479 HydrophobicContact CZ3-CD1 3.82Å; W397-F479 HydrophobicContact CZ3-CE1 4.48Å; I400-F479 HydrophobicContact CD1-CB 3.78Å; I400-F479 HydrophobicContact CD1-CD1 4.31Å; I400-F479 HydrophobicContact CD1-CD2 3.58Å; I400-F479 HydrophobicContact CD1-CE2 4.22Å; I400-F479 HydrophobicContact CD1-CG 3.62Å; I475-F479 WeakPolarHBondContact O-CB 3.47Å; I475-F479 PolarHBondContact O-N 2.9Å; E476-F479 PolarHBondContact O-N 3.39Å; K477-F479 VanDerWaalsContact C-N 3.32Å; K477-F479 PolarHBondContact O-N 3.12Å; F479-V481 PolarHBondContact O-N 2.84Å; F479-A482 WeakPolarHBondContact O-CB 3.31Å; F479-A482 PolarHBondContact O-N 3.48Å; F479-I483 HydrophobicContact CE1-CD1 4.45Å; F479-I483 PolarHBondContact O-N 2.8Å
480	A	94.3	Very high	93.3	Very high	8 Å²	8	58 Å²	58	7%	0.066	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-40.3	177	0	0	0	0	0	113	P471 E476 K477 I483 M484	P471-A480 HydrophobicContact CB-CB 3.86Å; P471-A480 HydrophobicContact CG-CB 3.57Å; E476-A480 WeakPolarHBondContact O-CB 3.3Å; E476-A480 PolarHBondContact O-N 3.49Å; K477-A480 WeakPolarHBondContact O-CB 3.33Å; K477-A480 PolarHBondContact O-N 2.87Å; A480-I483 VanDerWaalsContact O-CG2 3.3Å; A480-I483 WeakPolarHBondContact O-CG2 3.38Å; A480-M484 WeakPolarHBondContact O-CB 3.36Å; A480-M484 WeakPolarHBondContact O-CE 3.46Å; A480-M484 VanDerWaalsContact O-CG 3.3Å; A480-M484 WeakPolarHBondContact O-CG 3.44Å; A480-M484 PolarHBondContact O-N 2.73Å
481	V	95.4	Very high	93.4	Very high	92 Å²	92	60.3 Å²	60.3	56%	0.558	33%	0.325	S	S	*	.	H	α-helix	trans	-64.2	-41.9	173.4	173	0	0	0	0	111.1	K477 I478 F479 M484 M485	K477-V481 WeakPolarHBondContact O-CG2 3.5Å; K477-V481 PolarHBondContact O-N 2.97Å; I478-V481 PolarHBondContact O-N 3.36Å; F479-V481 PolarHBondContact O-N 2.84Å; V481-M484 HydrophobicContact CG2-CE 4.36Å; V481-M485 PolarHBondContact O-N 3.23Å; V481-M485 VanDerWaalsContact O-N 3.09Å
482	A	95.4	Very high	93.4	Very high	43 Å²	43	61.2 Å²	61.2	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-45.6	177.9	0	0	0	0	0	112.8	I478 F479 M485 I486	I478-A482 PolarHBondContact O-N 2.93Å; I478-A482 VanDerWaalsContact O-N 3.09Å; F479-A482 WeakPolarHBondContact O-CB 3.31Å; F479-A482 PolarHBondContact O-N 3.48Å; A482-M485 PolarHBondContact O-N 3.07Å; A482-I486 WeakPolarHBondContact O-CG1 3.29Å; A482-I486 PolarHBondContact O-N 3.41Å
483	I	95	Very high	93.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-68.2	-35.1	178.5	-166	177	0	0	0	112.3	M393 T457 L461 F479 A480 G487	M393-I483 HydrophobicContact CB-CD1 3.65Å; M393-I483 HydrophobicContact CB-CG1 4.4Å; M393-I483 HydrophobicContact CE-CB 3.65Å; M393-I483 HydrophobicContact CE-CD1 4.15Å; M393-I483 HydrophobicContact CE-CG1 3.76Å; M393-I483 HydrophobicContact CG-CD1 4.01Å; M393-I483 HydrophobicContact CG-CG1 4.22Å; T457-I483 HydrophobicContact CG2-CD1 3.67Å; L461-I483 HydrophobicContact CD1-CD1 4.41Å; L461-I483 HydrophobicContact CD2-CD1 4.29Å; L461-I483 HydrophobicContact CD2-CG1 3.66Å; L461-I483 HydrophobicContact CG-CD1 4.02Å; L461-I483 HydrophobicContact CG-CG1 3.93Å; F479-I483 HydrophobicContact CE1-CD1 4.45Å; F479-I483 PolarHBondContact O-N 2.8Å; A480-I483 VanDerWaalsContact O-CG2 3.3Å; A480-I483 WeakPolarHBondContact O-CG2 3.38Å; I483-G487 WeakPolarHBondContact O-CA 3.47Å; I483-G487 PolarHBondContact O-N 2.69Å
484	M	94.8	Very high	93.3	Very high	107 Å²	107	63.2 Å²	63.2	53%	0.527	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-42.3	173	-74.4	-173	-66.2	0	0	111.7	A480 V481 G487 S488	A480-M484 WeakPolarHBondContact O-CB 3.36Å; A480-M484 WeakPolarHBondContact O-CE 3.46Å; A480-M484 VanDerWaalsContact O-CG 3.3Å; A480-M484 WeakPolarHBondContact O-CG 3.44Å; A480-M484 PolarHBondContact O-N 2.73Å; V481-M484 HydrophobicContact CG2-CE 4.36Å; M484-G487 PolarHBondContact O-N 2.72Å; M484-S488 PolarHBondContact O-N 3.16Å
485	M	95.2	Very high	93.2	Very high	119 Å²	119	63.1 Å²	63.1	59%	0.586	34%	0.34	S	S	*	.	H	α-helix	trans	-62.2	-51.2	176.6	-172.9	61.9	66	0	0	111.5	V481 A482 G487 S488 L489	V481-M485 PolarHBondContact O-N 3.23Å; V481-M485 VanDerWaalsContact O-N 3.09Å; A482-M485 PolarHBondContact O-N 3.07Å; M485-G487 VanDerWaalsContact C-N 3.34Å; M485-G487 PolarHBondContact O-N 2.74Å; M485-S488 PolarHBondContact O-N 3.3Å; M485-S488 PolarHBondContact O-OG 3.29Å; M485-L489 PolarHBondContact O-N 3.36Å
486	I	93.1	Very high	93.2	Very high	77 Å²	77	61.3 Å²	61.3	40%	0.395	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-42.6	178.1	-66.9	166	0	0	0	111	M393 A482 S488 L489 L490	M393-I486 HydrophobicContact CE-CD1 4.45Å; A482-I486 WeakPolarHBondContact O-CG1 3.29Å; A482-I486 PolarHBondContact O-N 3.41Å; I486-S488 PolarHBondContact O-N 3.24Å; I486-L489 PolarHBondContact O-N 2.68Å; I486-L490 HydrophobicContact CG2-CD1 3.83Å; I486-L490 HydrophobicContact CG2-CG 4.3Å; I486-L490 WeakPolarHBondContact O-CG 3.32Å; I486-L490 PolarHBondContact O-N 2.82Å
487	G	93	Very high	92.9	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-47.3	177.1	0	0	0	0	0	112.6	L461 I483 M484 M485 L489 L490 Y491	L461-G487 VanDerWaalsContact CD2-CA 3.43Å; I483-G487 WeakPolarHBondContact O-CA 3.47Å; I483-G487 PolarHBondContact O-N 2.69Å; M484-G487 PolarHBondContact O-N 2.72Å; M485-G487 VanDerWaalsContact C-N 3.34Å; M485-G487 PolarHBondContact O-N 2.74Å; G487-L489 VanDerWaalsContact C-N 3.3Å; G487-L489 PolarHBondContact O-N 3.3Å; G487-L490 PolarHBondContact O-N 3.3Å; G487-Y491 WeakPolarHBondContact O-CB 3.21Å; G487-Y491 PolarHBondContact O-N 3.25Å
488	S	93.1	Very high	92.7	Very high	66 Å²	66	61.4 Å²	61.4	46%	0.462	35%	0.345	S	S	.	.	H	α-helix	trans	-58.1	-41	179	75	0	0	0	0	112.8	M484 M485 I486 A492	M484-S488 PolarHBondContact O-N 3.16Å; M485-S488 PolarHBondContact O-N 3.3Å; M485-S488 PolarHBondContact O-OG 3.29Å; I486-S488 PolarHBondContact O-N 3.24Å; S488-A492 WeakPolarHBondContact O-CB 3.44Å; S488-A492 PolarHBondContact O-N 2.92Å
489	L	92.5	Very high	92.4	Very high	109 Å²	109	58.7 Å²	58.7	57%	0.571	33%	0.334	S	S	*	.	H	α-helix	trans	-72.4	-41.4	179.2	-67.4	170.5	0	0	0	112.3	M485 I486 G487 T493	M485-L489 PolarHBondContact O-N 3.36Å; I486-L489 PolarHBondContact O-N 2.68Å; G487-L489 VanDerWaalsContact C-N 3.3Å; G487-L489 PolarHBondContact O-N 3.3Å; L489-T493 VanDerWaalsContact O-CB 3.31Å; L489-T493 WeakPolarHBondContact O-CB 3.33Å; L489-T493 PolarHBondContact O-N 2.82Å; L489-T493 PolarHBondContact O-OG1 3.02Å
490	L	90.4	Very high	92.1	Very high	46 Å²	46	61.3 Å²	61.3	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-46.6	175.2	-72.3	174.9	0	0	0	111.2	A389 I486 G487 T493 I494	A389-L490 HydrophobicContact CB-CD1 4.09Å; I486-L490 HydrophobicContact CG2-CD1 3.83Å; I486-L490 HydrophobicContact CG2-CG 4.3Å; I486-L490 WeakPolarHBondContact O-CG 3.32Å; I486-L490 PolarHBondContact O-N 2.82Å; G487-L490 PolarHBondContact O-N 3.3Å; L490-T493 WeakPolarHBondContact O-CB 3.47Å; L490-T493 PolarHBondContact O-N 3.28Å; L490-I494 WeakPolarHBondContact O-CD1 3.41Å; L490-I494 VanDerWaalsContact O-CG1 3.29Å; L490-I494 WeakPolarHBondContact O-CG1 3.36Å; L490-I494 PolarHBondContact O-N 3.35Å
491	Y	91.5	Very high	91.7	Very high	87 Å²	87	62.6 Å²	62.6	34%	0.341	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-47.3	-180	-166	-96	0	0	0	111.5	G487 T493 I494 F495	G487-Y491 WeakPolarHBondContact O-CB 3.21Å; G487-Y491 PolarHBondContact O-N 3.25Å; Y491-T493 VanDerWaalsContact C-N 3.29Å; Y491-T493 PolarHBondContact O-N 3.43Å; Y491-I494 PolarHBondContact O-N 2.85Å; Y491-F495 AromaticContact CD1-CD2 3.94Å; Y491-F495 HydrophobicContact CD1-CD2 3.94Å; Y491-F495 HydrophobicContact CD1-CE2 4.13Å; Y491-F495 HydrophobicContact CD2-CE2 4.25Å; Y491-F495 AromaticContact CE1-CD2 3.72Å; Y491-F495 HydrophobicContact CE1-CD2 3.72Å; Y491-F495 AromaticContact CE1-CE2 3.52Å; Y491-F495 HydrophobicContact CE1-CE2 3.52Å; Y491-F495 HydrophobicContact CE1-CZ 4.16Å; Y491-F495 HydrophobicContact CE2-CD2 4.31Å; Y491-F495 AromaticContact CE2-CE2 3.65Å; Y491-F495 HydrophobicContact CE2-CE2 3.65Å; Y491-F495 HydrophobicContact CG-CD2 4.33Å; Y491-F495 HydrophobicContact CG-CE2 4.47Å; Y491-F495 AromaticContact CZ-CD2 3.93Å; Y491-F495 AromaticContact CZ-CE2 3.25Å; Y491-F495 AromaticContact CZ-CZ 3.83Å; Y491-F495 WeakPolarHBondContact O-CD2 3.36Å; Y491-F495 PolarHBondContact O-N 3.11Å; Y491-F495 WeakPolarHBondContact OH-CE2 3.48Å; Y491-F495 WeakPolarHBondContact OH-CZ 3.16Å
492	A	93.1	Very high	91.3	Very high	60 Å²	60	63.6 Å²	63.6	50%	0.496	36%	0.355	S	S	.	.	H	α-helix	trans	-59	-39.7	173.3	0	0	0	0	0	112.4	S488 G496	S488-A492 WeakPolarHBondContact O-CB 3.44Å; S488-A492 PolarHBondContact O-N 2.92Å; A492-G496 PolarHBondContact O-N 2.81Å
493	T	89.9	Confident	91	Very high	71 Å²	71	67.6 Å²	67.6	44%	0.436	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-42.1	176.9	-59.7	0	0	0	0	111.9	L382 L489 L490 Y491 N497	L382-T493 HydrophobicContact CD2-CG2 4.49Å; L489-T493 VanDerWaalsContact O-CB 3.31Å; L489-T493 WeakPolarHBondContact O-CB 3.33Å; L489-T493 PolarHBondContact O-N 2.82Å; L489-T493 PolarHBondContact O-OG1 3.02Å; L490-T493 WeakPolarHBondContact O-CB 3.47Å; L490-T493 PolarHBondContact O-N 3.28Å; Y491-T493 VanDerWaalsContact C-N 3.29Å; Y491-T493 PolarHBondContact O-N 3.43Å; T493-N497 PolarHBondContact O-N 2.85Å; T493-N497 PolarHBondContact O-ND2 3.45Å
494	I	90.3	Very high	90.6	Very high	24 Å²	24	74.2 Å²	74.2	12%	0.123	40%	0.397	C	S	.	.	H	α-helix	trans	-63.9	-50.8	176.9	-67.3	158.7	0	0	0	110	L382 F386 L490 Y491 G496 N497 V498	L382-I494 HydrophobicContact CB-CG1 4.39Å; F386-I494 HydrophobicContact CB-CD1 3.85Å; F386-I494 HydrophobicContact CD2-CD1 3.5Å; F386-I494 VanDerWaalsContact CD2-CD1 3.5Å; F386-I494 HydrophobicContact CE2-CD1 4.29Å; F386-I494 HydrophobicContact CG-CD1 3.85Å; L490-I494 WeakPolarHBondContact O-CD1 3.41Å; L490-I494 VanDerWaalsContact O-CG1 3.29Å; L490-I494 WeakPolarHBondContact O-CG1 3.36Å; L490-I494 PolarHBondContact O-N 3.35Å; Y491-I494 PolarHBondContact O-N 2.85Å; I494-G496 VanDerWaalsContact C-N 3.33Å; I494-G496 PolarHBondContact O-N 2.84Å; I494-N497 PolarHBondContact O-N 2.66Å; I494-V498 HydrophobicContact CG2-CG2 4.32Å; I494-V498 WeakPolarHBondContact O-CB 3.24Å; I494-V498 VanDerWaalsContact O-CG2 3.3Å; I494-V498 WeakPolarHBondContact O-CG2 3.46Å; I494-V498 PolarHBondContact O-N 3.45Å
495	F	90	Very high	89.9	Confident	109 Å²	109	74.6 Å²	74.6	48%	0.478	40%	0.399	S	S	.	.	H	α-helix	trans	-63.6	-35.7	179.4	-88.2	-100.4	0	0	0	113	Y491 T499	Y491-F495 AromaticContact CD1-CD2 3.94Å; Y491-F495 HydrophobicContact CD1-CD2 3.94Å; Y491-F495 HydrophobicContact CD1-CE2 4.13Å; Y491-F495 HydrophobicContact CD2-CE2 4.25Å; Y491-F495 AromaticContact CE1-CD2 3.72Å; Y491-F495 HydrophobicContact CE1-CD2 3.72Å; Y491-F495 AromaticContact CE1-CE2 3.52Å; Y491-F495 HydrophobicContact CE1-CE2 3.52Å; Y491-F495 HydrophobicContact CE1-CZ 4.16Å; Y491-F495 HydrophobicContact CE2-CD2 4.31Å; Y491-F495 AromaticContact CE2-CE2 3.65Å; Y491-F495 HydrophobicContact CE2-CE2 3.65Å; Y491-F495 HydrophobicContact CG-CD2 4.33Å; Y491-F495 HydrophobicContact CG-CE2 4.47Å; Y491-F495 AromaticContact CZ-CD2 3.93Å; Y491-F495 AromaticContact CZ-CE2 3.25Å; Y491-F495 AromaticContact CZ-CZ 3.83Å; Y491-F495 WeakPolarHBondContact O-CD2 3.36Å; Y491-F495 PolarHBondContact O-N 3.11Å; Y491-F495 WeakPolarHBondContact OH-CE2 3.48Å; Y491-F495 WeakPolarHBondContact OH-CZ 3.16Å; F495-T499 WeakPolarHBondContact O-CB 3.43Å; F495-T499 PolarHBondContact O-N 3.03Å; F495-T499 PolarHBondContact O-OG1 3.36Å
496	G	91.1	Very high	89.6	Confident	35 Å²	35	74.4 Å²	74.4	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-44.2	172.5	0	0	0	0	0	113.3	A492 I494 T499 T500	A492-G496 PolarHBondContact O-N 2.81Å; I494-G496 VanDerWaalsContact C-N 3.33Å; I494-G496 PolarHBondContact O-N 2.84Å; G496-T499 PolarHBondContact O-N 3.3Å; G496-T500 PolarHBondContact O-N 3.16Å; G496-T500 PolarHBondContact O-OG1 2.89Å
497	N	88	Confident	89.5	Confident	54 Å²	54	73.3 Å²	73.3	29%	0.289	40%	0.395	S	S	.	.	H	α-helix	trans	-69.6	-42.1	176.8	-79	-80.3	0	0	0	112.1	L382 T493 I494 T499 T500 I501	L382-N497 HydrophobicContact CD1-CB 3.54Å; T493-N497 PolarHBondContact O-N 2.85Å; T493-N497 PolarHBondContact O-ND2 3.45Å; I494-N497 PolarHBondContact O-N 2.66Å; N497-T499 VanDerWaalsContact C-N 3.31Å; N497-T499 PolarHBondContact O-N 2.95Å; N497-T500 PolarHBondContact O-N 2.98Å; N497-I501 WeakPolarHBondContact O-CD1 3.44Å; N497-I501 VanDerWaalsContact O-CG1 3.26Å; N497-I501 WeakPolarHBondContact O-CG1 3.49Å; N497-I501 PolarHBondContact O-N 3.28Å
498	V	88.9	Confident	89.1	Confident	35 Å²	35	76.8 Å²	76.8	21%	0.212	41%	0.413	C	S	.	.	H	α-helix	trans	-54.7	-49	171.6	168.9	0	0	0	0	110.2	L379 I494 T500 I501 F502	L379-V498 HydrophobicContact CD1-CG2 3.51Å; I494-V498 HydrophobicContact CG2-CG2 4.32Å; I494-V498 WeakPolarHBondContact O-CB 3.24Å; I494-V498 VanDerWaalsContact O-CG2 3.3Å; I494-V498 WeakPolarHBondContact O-CG2 3.46Å; I494-V498 PolarHBondContact O-N 3.45Å; V498-T500 PolarHBondContact O-N 3.03Å; V498-I501 PolarHBondContact O-N 2.8Å; V498-F502 HydrophobicContact CG1-CD2 3.7Å; V498-F502 HydrophobicContact CG1-CE2 3.81Å; V498-F502 WeakPolarHBondContact O-CD2 3.16Å; V498-F502 PolarHBondContact O-N 3.43Å
499	T	90.3	Very high	88.9	Confident	68 Å²	68	76.6 Å²	76.6	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-59.8	-44.9	178.8	-57.5	0	0	0	0	111.8	F495 G496 N497 I501 F502 Q503	F495-T499 WeakPolarHBondContact O-CB 3.43Å; F495-T499 PolarHBondContact O-N 3.03Å; F495-T499 PolarHBondContact O-OG1 3.36Å; G496-T499 PolarHBondContact O-N 3.3Å; N497-T499 VanDerWaalsContact C-N 3.31Å; N497-T499 PolarHBondContact O-N 2.95Å; T499-I501 PolarHBondContact O-N 3.44Å; T499-F502 PolarHBondContact O-N 3.38Å; T499-Q503 HydrophobicContact CG2-CG 4.49Å; T499-Q503 WeakPolarHBondContact O-CB 3.45Å; T499-Q503 VanDerWaalsContact O-CG 3.31Å; T499-Q503 WeakPolarHBondContact O-CG 3.5Å; T499-Q503 PolarHBondContact O-N 3.28Å
500	T	88.7	Confident	88.8	Confident	76 Å²	76	75.7 Å²	75.7	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-42.8	175.8	-55.9	0	0	0	0	112.1	G496 N497 V498 Q503 Q504	G496-T500 PolarHBondContact O-N 3.16Å; G496-T500 PolarHBondContact O-OG1 2.89Å; N497-T500 PolarHBondContact O-N 2.98Å; V498-T500 PolarHBondContact O-N 3.03Å; T500-Q503 PolarHBondContact O-N 3.07Å; T500-Q504 WeakPolarHBondContact O-CB 3.46Å; T500-Q504 PolarHBondContact O-N 3.03Å
501	I	87.2	Confident	88.8	Confident	34 Å²	34	81.7 Å²	81.7	17%	0.174	42%	0.424	C	S	.	.	H	α-helix	trans	-65.8	-43.9	178.6	-67	160.1	0	0	0	110.9	G375 L379 N497 V498 T499 Q504 M505	G375-I501 WeakPolarHBondContact O-CD1 3.39Å; L379-I501 HydrophobicContact CB-CD1 3.74Å; N497-I501 WeakPolarHBondContact O-CD1 3.44Å; N497-I501 VanDerWaalsContact O-CG1 3.26Å; N497-I501 WeakPolarHBondContact O-CG1 3.49Å; N497-I501 PolarHBondContact O-N 3.28Å; V498-I501 PolarHBondContact O-N 2.8Å; T499-I501 PolarHBondContact O-N 3.44Å; I501-Q504 PolarHBondContact O-N 2.98Å; I501-M505 VanDerWaalsContact O-CB 3.28Å; I501-M505 WeakPolarHBondContact O-CB 3.37Å; I501-M505 PolarHBondContact O-N 2.83Å
502	F	86.1	Confident	88.7	Confident	113 Å²	113	78.9 Å²	78.9	50%	0.496	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-46.2	174	-91.1	-80.5	0	0	0	111.5	V498 T499 Q504 M505 Y506	V498-F502 HydrophobicContact CG1-CD2 3.7Å; V498-F502 HydrophobicContact CG1-CE2 3.81Å; V498-F502 WeakPolarHBondContact O-CD2 3.16Å; V498-F502 PolarHBondContact O-N 3.43Å; T499-F502 PolarHBondContact O-N 3.38Å; F502-Q504 PolarHBondContact O-N 3.15Å; F502-M505 HydrophobicContact CD1-CE 4.14Å; F502-M505 HydrophobicContact CE1-CE 4.21Å; F502-M505 PolarHBondContact O-N 3.44Å; F502-Y506 HydrophobicContact CD1-CD2 4.16Å; F502-Y506 AromaticContact CD1-CE2 3.85Å; F502-Y506 HydrophobicContact CD1-CE2 3.85Å; F502-Y506 HydrophobicContact CE1-CE2 4.27Å; F502-Y506 WeakPolarHBondContact O-CD2 3.5Å; F502-Y506 PolarHBondContact O-N 3.25Å
503	Q	88.7	Confident	88.7	Confident	127 Å²	127	80.2 Å²	80.2	59%	0.593	41%	0.409	S	S	*	.	H	α-helix	trans	-59.8	-45.9	176	-73.8	174.5	-1.9	0	0	112	T499 T500 Y506 A507	T499-Q503 HydrophobicContact CG2-CG 4.49Å; T499-Q503 WeakPolarHBondContact O-CB 3.45Å; T499-Q503 VanDerWaalsContact O-CG 3.31Å; T499-Q503 WeakPolarHBondContact O-CG 3.5Å; T499-Q503 PolarHBondContact O-N 3.28Å; T500-Q503 PolarHBondContact O-N 3.07Å; Q503-Y506 PolarHBondContact O-N 3.24Å; Q503-A507 WeakPolarHBondContact O-CB 3.27Å; Q503-A507 PolarHBondContact O-N 2.94Å
504	Q	85.9	Confident	88.9	Confident	140 Å²	140	83.2 Å²	83.2	65%	0.654	42%	0.418	S	S	*	.	H	α-helix	trans	-65	-41.6	178.8	-173.7	178.8	2.7	0	0	112.3	T500 I501 F502 A507	T500-Q504 WeakPolarHBondContact O-CB 3.46Å; T500-Q504 PolarHBondContact O-N 3.03Å; I501-Q504 PolarHBondContact O-N 2.98Å; F502-Q504 PolarHBondContact O-N 3.15Å; Q504-A507 PolarHBondContact O-N 2.96Å
505	M	82	Confident	89	Confident	115 Å²	115	86 Å²	86	57%	0.567	43%	0.432	S	S	*	.	H	α-helix	trans	-65.8	-42.1	178.7	-175.4	175.6	72.3	0	0	112.1	I501 F502	I501-M505 VanDerWaalsContact O-CB 3.28Å; I501-M505 WeakPolarHBondContact O-CB 3.37Å; I501-M505 PolarHBondContact O-N 2.83Å; F502-M505 HydrophobicContact CD1-CE 4.14Å; F502-M505 HydrophobicContact CE1-CE 4.21Å; F502-M505 PolarHBondContact O-N 3.44Å
506	Y	88.3	Confident	89.2	Confident	114 Å²	114	81.5 Å²	81.5	45%	0.447	41%	0.412	S	S	.	.	H	α-helix	trans	-84.4	-10.9	179.7	-78.8	-76.8	0	0	0	114.3	F502 Q503 N508 T509 N510	F502-Y506 HydrophobicContact CD1-CD2 4.16Å; F502-Y506 AromaticContact CD1-CE2 3.85Å; F502-Y506 HydrophobicContact CD1-CE2 3.85Å; F502-Y506 HydrophobicContact CE1-CE2 4.27Å; F502-Y506 WeakPolarHBondContact O-CD2 3.5Å; F502-Y506 PolarHBondContact O-N 3.25Å; Q503-Y506 PolarHBondContact O-N 3.24Å; Y506-N508 PolarHBondContact O-N 3.47Å; Y506-T509 PolarHBondContact O-N 3.07Å; Y506-T509 VanDerWaalsContact O-N 3.15Å; Y506-N510 WeakPolarHBondContact O-CB 3.44Å; Y506-N510 VanDerWaalsContact O-CG 3.27Å; Y506-N510 PolarHBondContact O-N 2.73Å; Y506-N510 PolarHBondContact O-OD1 3.23Å
507	A	89.8	Confident	89.4	Confident	54 Å²	54	83.1 Å²	83.1	45%	0.446	41%	0.413	S	S	.	.	H	α-helix	trans	-51.9	-45.7	-174.3	0	0	0	0	0	114.4	Q503 Q504 R511	Q503-A507 WeakPolarHBondContact O-CB 3.27Å; Q503-A507 PolarHBondContact O-N 2.94Å; Q504-A507 PolarHBondContact O-N 2.96Å; A507-R511 WeakPolarHBondContact O-CB 3.29Å; A507-R511 PolarHBondContact O-N 3.32Å; A507-R511 VanDerWaalsContact O-N 3.08Å
508	N	86.5	Confident	89.8	Confident	76 Å²	76	84.1 Å²	84.1	41%	0.406	42%	0.424	S	S	.	.	H	α-helix	trans	-70.2	-41.2	-179	-165	45.5	0	0	0	112.2	Y506 R511 Y512	Y506-N508 PolarHBondContact O-N 3.47Å; N508-R511 PolarHBondContact O-N 3.02Å; N508-Y512 PolarHBondContact O-N 3.11Å; N508-Y512 VanDerWaalsContact O-N 3.12Å
509	T	88	Confident	90.1	Very high	61 Å²	61	84.2 Å²	84.2	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-68.8	-39.2	178.6	-53.1	0	0	0	0	111.6	Y506 Y512 H513	Y506-T509 PolarHBondContact O-N 3.07Å; Y506-T509 VanDerWaalsContact O-N 3.15Å; T509-Y512 WeakPolarHBondContact O-CB 3.47Å; T509-Y512 PolarHBondContact O-N 3.38Å; T509-H513 PolarHBondContact O-CD2 3.33Å; T509-H513 PolarHBondContact O-N 2.91Å
510	N	90.8	Very high	90.4	Very high	90 Å²	90	86.3 Å²	86.3	48%	0.481	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175.7	-71.1	1	0	0	0	111.1	Y506 Y512 H513 E514	Y506-N510 WeakPolarHBondContact O-CB 3.44Å; Y506-N510 VanDerWaalsContact O-CG 3.27Å; Y506-N510 PolarHBondContact O-N 2.73Å; Y506-N510 PolarHBondContact O-OD1 3.23Å; N510-Y512 VanDerWaalsContact C-N 3.28Å; N510-Y512 PolarHBondContact O-N 3.43Å; N510-H513 PolarHBondContact O-N 2.89Å; N510-E514 VanDerWaalsContact O-CB 3.31Å; N510-E514 WeakPolarHBondContact O-CB 3.45Å; N510-E514 PolarHBondContact O-N 3.28Å
511	R	89.9	Confident	90.7	Very high	172 Å²	172	87.2 Å²	87.2	65%	0.649	43%	0.427	S	S	*	.	H	α-helix	trans	-57.6	-39.8	173.9	-176.1	-173.8	-179.6	110	7.8	112.3	A507 N508 M515	A507-R511 WeakPolarHBondContact O-CB 3.29Å; A507-R511 PolarHBondContact O-N 3.32Å; A507-R511 VanDerWaalsContact O-N 3.08Å; N508-R511 PolarHBondContact O-N 3.02Å; R511-M515 WeakPolarHBondContact O-CB 3.4Å; R511-M515 PolarHBondContact O-N 3.3Å
512	Y	90	Very high	91.2	Very high	29 Å²	29	91 Å²	91	11%	0.114	44%	0.442	C	S	.	.	H	α-helix	trans	-64.1	-48.4	174.1	168.6	-112.6	0	0	0	112.3	N508 T509 N510 E514 M515 L516 W544	N508-Y512 PolarHBondContact O-N 3.11Å; N508-Y512 VanDerWaalsContact O-N 3.12Å; T509-Y512 WeakPolarHBondContact O-CB 3.47Å; T509-Y512 PolarHBondContact O-N 3.38Å; N510-Y512 VanDerWaalsContact C-N 3.28Å; N510-Y512 PolarHBondContact O-N 3.43Å; Y512-E514 PolarHBondContact O-N 2.99Å; Y512-M515 HydrophobicContact CD2-CE 4Å; Y512-M515 HydrophobicContact CE2-CE 4.47Å; Y512-M515 PolarHBondContact O-N 3.47Å; Y512-L516 HydrophobicContact CE1-CD1 4.07Å; Y512-L516 HydrophobicContact CE2-CD1 3.89Å; Y512-L516 WeakPolarHBondContact O-CB 3.49Å; Y512-L516 PolarHBondContact O-N 3.03Å; Y512-L516 WeakPolarHBondContact OH-CD1 3.36Å; Y512-W544 HydrophobicContact CD2-CB 3.98Å; Y512-W544 AromaticContact CD2-CD1 3.81Å; Y512-W544 AromaticContact CD2-CD2 3.27Å; Y512-W544 HydrophobicContact CD2-CD2 3.27Å; Y512-W544 AromaticContact CD2-CE2 3.71Å; Y512-W544 AromaticContact CD2-CE3 3.59Å; Y512-W544 HydrophobicContact CD2-CE3 3.59Å; Y512-W544 AromaticContact CD2-CG 3.41Å; Y512-W544 HydrophobicContact CD2-CG 3.41Å; Y512-W544 VanDerWaalsContact CD2-CG 3.41Å; Y512-W544 HydrophobicContact CD2-CZ2 4.39Å; Y512-W544 HydrophobicContact CD2-CZ3 4.24Å; Y512-W544 AromaticContact CD2-NE1 3.97Å; Y512-W544 HydrophobicContact CE2-CB 3.55Å; Y512-W544 AromaticContact CE2-CD1 3.74Å; Y512-W544 AromaticContact CE2-CD2 3.82Å; Y512-W544 HydrophobicContact CE2-CD2 3.82Å; Y512-W544 HydrophobicContact CE2-CE3 4.37Å; Y512-W544 AromaticContact CE2-CG 3.39Å; Y512-W544 HydrophobicContact CE2-CG 3.39Å; Y512-W544 AromaticContact CG-CD2 3.79Å; Y512-W544 HydrophobicContact CG-CD2 3.79Å; Y512-W544 AromaticContact CG-CE2 3.69Å; Y512-W544 HydrophobicContact CG-CE3 4.24Å; Y512-W544 HydrophobicContact CG-CG 4.12Å; Y512-W544 HydrophobicContact CG-CZ2 4.11Å; Y512-W544 AromaticContact CG-NE1 3.87Å; Y512-W544 AromaticContact CZ-CD1 3.97Å
513	H	92.3	Very high	91.7	Very high	88 Å²	88	86.1 Å²	86.1	41%	0.407	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-36.9	178.1	-72	-58.4	0	0	0	112.8	T509 N510 L516 N517	T509-H513 PolarHBondContact O-CD2 3.33Å; T509-H513 PolarHBondContact O-N 2.91Å; N510-H513 PolarHBondContact O-N 2.89Å; H513-L516 PolarHBondContact O-N 3.14Å; H513-N517 WeakPolarHBondContact O-CB 3.44Å; H513-N517 PolarHBondContact O-N 3.38Å; H513-N517 PolarHBondContact O-ND2 3.32Å; H513-N517 PolarHBondContact O-OD1 3.01Å
514	E	94.2	Very high	92	Very high	133 Å²	133	87.8 Å²	87.8	62%	0.621	43%	0.426	S	S	*	.	H	α-helix	trans	-59.8	-52.5	173.5	-178.4	178.6	-154.6	0	0	111.3	N510 Y512 L516 N517 S518	N510-E514 VanDerWaalsContact O-CB 3.31Å; N510-E514 WeakPolarHBondContact O-CB 3.45Å; N510-E514 PolarHBondContact O-N 3.28Å; Y512-E514 PolarHBondContact O-N 2.99Å; E514-L516 PolarHBondContact O-N 3.17Å; E514-N517 PolarHBondContact O-N 2.89Å; E514-S518 PolarHBondContact O-N 3.49Å; E514-S518 PolarHBondContact O-OG 2.82Å
515	M	92.8	Very high	92.6	Very high	84 Å²	84	87.1 Å²	87.1	41%	0.414	43%	0.427	S	S	.	.	H	α-helix	trans	-58.2	-47.8	175.1	-180	-170	72.8	0	0	112.1	R511 Y512 N517 S518 V519 I540 W544	R511-M515 WeakPolarHBondContact O-CB 3.4Å; R511-M515 PolarHBondContact O-N 3.3Å; Y512-M515 HydrophobicContact CD2-CE 4Å; Y512-M515 HydrophobicContact CE2-CE 4.47Å; Y512-M515 PolarHBondContact O-N 3.47Å; M515-N517 VanDerWaalsContact C-N 3.34Å; M515-N517 PolarHBondContact O-N 3.45Å; M515-S518 PolarHBondContact O-N 3.01Å; M515-V519 WeakPolarHBondContact O-CG2 3.2Å; M515-V519 PolarHBondContact O-N 3.47Å; M515-I540 HydrophobicContact CE-CG2 3.81Å; M515-W544 HydrophobicContact CE-CE3 4.49Å
516	L	93.6	Very high	93.3	Very high	13 Å²	13	89 Å²	89	7%	0.068	43%	0.429	C	S	.	.	H	α-helix	trans	-67.3	-34.4	-178	-175.9	151.2	0	0	0	111.9	Y512 H513 E514 R520 M537 V541	Y512-L516 HydrophobicContact CE1-CD1 4.07Å; Y512-L516 HydrophobicContact CE2-CD1 3.89Å; Y512-L516 WeakPolarHBondContact O-CB 3.49Å; Y512-L516 PolarHBondContact O-N 3.03Å; Y512-L516 WeakPolarHBondContact OH-CD1 3.36Å; H513-L516 PolarHBondContact O-N 3.14Å; E514-L516 PolarHBondContact O-N 3.17Å; L516-R520 PolarHBondContact O-N 3.22Å; L516-M537 HydrophobicContact CD1-CE 4.25Å; L516-M537 HydrophobicContact CD2-CE 3.67Å; L516-M537 HydrophobicContact CG-CE 3.7Å; L516-V541 HydrophobicContact CD1-CG2 4.15Å
517	N	95.1	Very high	93.7	Very high	69 Å²	69	91.9 Å²	91.9	37%	0.369	45%	0.446	S	S	.	.	H	α-helix	trans	-68.4	-47.3	171.7	-69.9	-16.1	0	0	0	111	H513 E514 M515 V519 R520 D521	H513-N517 WeakPolarHBondContact O-CB 3.44Å; H513-N517 PolarHBondContact O-N 3.38Å; H513-N517 PolarHBondContact O-ND2 3.32Å; H513-N517 PolarHBondContact O-OD1 3.01Å; E514-N517 PolarHBondContact O-N 2.89Å; M515-N517 VanDerWaalsContact C-N 3.34Å; M515-N517 PolarHBondContact O-N 3.45Å; N517-V519 VanDerWaalsContact C-N 3.28Å; N517-V519 PolarHBondContact O-N 3.19Å; N517-R520 PolarHBondContact O-N 3.43Å; N517-R520 VanDerWaalsContact O-N 3.08Å; N517-R520 PolarHBondContact OD1-NH1 3.43Å; N517-D521 PolarHBondContact O-N 2.94Å
518	S	96.4	Very high	93.9	Very high	76 Å²	76	91 Å²	91	53%	0.531	44%	0.435	S	S	.	.	H	α-helix	trans	-57.1	-39.1	175.5	-68.5	0	0	0	0	112.8	E514 M515 F522	E514-S518 PolarHBondContact O-N 3.49Å; E514-S518 PolarHBondContact O-OG 2.82Å; M515-S518 PolarHBondContact O-N 3.01Å; S518-F522 VanDerWaalsContact O-CB 3.3Å; S518-F522 WeakPolarHBondContact O-CB 3.24Å; S518-F522 PolarHBondContact O-N 2.75Å
519	V	96.4	Very high	94.4	Very high	36 Å²	36	91.9 Å²	91.9	22%	0.218	45%	0.445	C	S	.	.	H	α-helix	trans	-69	-42.7	174.3	173.6	0	0	0	0	111.7	M515 N517 D521 F522 L523 V536 M537 I540	M515-V519 WeakPolarHBondContact O-CG2 3.2Å; M515-V519 PolarHBondContact O-N 3.47Å; N517-V519 VanDerWaalsContact C-N 3.28Å; N517-V519 PolarHBondContact O-N 3.19Å; V519-D521 VanDerWaalsContact C-N 3.3Å; V519-D521 PolarHBondContact O-N 3.05Å; V519-F522 WeakPolarHBondContact O-CB 3.44Å; V519-F522 PolarHBondContact O-N 2.83Å; V519-L523 HydrophobicContact CG1-CD1 3.75Å; V519-L523 HydrophobicContact CG1-CG 4.15Å; V519-L523 WeakPolarHBondContact O-CB 3.24Å; V519-L523 VanDerWaalsContact O-CG 3.24Å; V519-L523 WeakPolarHBondContact O-CG 3.46Å; V519-L523 PolarHBondContact O-N 3.13Å; V519-V536 HydrophobicContact CG1-CG1 4.18Å; V519-M537 HydrophobicContact CG1-SD 4.24Å; V519-I540 HydrophobicContact CB-CD1 4.17Å; V519-I540 HydrophobicContact CG1-CD1 3.67Å; V519-I540 HydrophobicContact CG2-CD1 4Å
520	R	95.1	Very high	94.6	Very high	113 Å²	113	96.9 Å²	96.9	43%	0.426	46%	0.462	S	S	.	.	H	α-helix	trans	-59.6	-42.8	175.3	-168.7	-169.2	-61.9	101.2	-3.9	111.6	L516 N517 L523 K524	L516-R520 PolarHBondContact O-N 3.22Å; N517-R520 PolarHBondContact O-N 3.43Å; N517-R520 VanDerWaalsContact O-N 3.08Å; N517-R520 PolarHBondContact OD1-NH1 3.43Å; R520-L523 PolarHBondContact O-N 3.23Å; R520-K524 VanDerWaalsContact O-CB 3.3Å; R520-K524 WeakPolarHBondContact O-CB 3.05Å; R520-K524 PolarHBondContact O-N 2.77Å
521	D	96.4	Very high	94.6	Very high	95 Å²	95	95 Å²	95	51%	0.508	46%	0.464	S	S	.	.	H	α-helix	trans	-70.4	-36.2	179.9	-68.1	-30.9	0	0	0	111.6	N517 V519 K524 L525	N517-D521 PolarHBondContact O-N 2.94Å; V519-D521 VanDerWaalsContact C-N 3.3Å; V519-D521 PolarHBondContact O-N 3.05Å; D521-K524 PolarHBondContact O-N 2.67Å; D521-L525 WeakPolarHBondContact O-CB 3.26Å; D521-L525 PolarHBondContact O-N 3.29Å
522	F	97.4	Very high	94.6	Very high	114 Å²	114	91.2 Å²	91.2	50%	0.5	46%	0.456	S	S	.	.	H	α-helix	trans	-59.7	-52.7	168.6	174.6	-87.4	0	0	0	112	S518 V519 K524 L525 Y526	S518-F522 VanDerWaalsContact O-CB 3.3Å; S518-F522 WeakPolarHBondContact O-CB 3.24Å; S518-F522 PolarHBondContact O-N 2.75Å; V519-F522 WeakPolarHBondContact O-CB 3.44Å; V519-F522 PolarHBondContact O-N 2.83Å; F522-K524 PolarHBondContact O-N 2.71Å; F522-L525 PolarHBondContact O-N 2.73Å; F522-Y526 HydrophobicContact CD1-CD2 4.35Å; F522-Y526 AromaticContact CD2-CD2 3.64Å; F522-Y526 HydrophobicContact CD2-CD2 3.64Å; F522-Y526 AromaticContact CD2-CE2 3.51Å; F522-Y526 HydrophobicContact CD2-CE2 3.51Å; F522-Y526 HydrophobicContact CE1-CD2 4.24Å; F522-Y526 AromaticContact CE2-CD2 3.52Å; F522-Y526 HydrophobicContact CE2-CD2 3.52Å; F522-Y526 AromaticContact CE2-CE2 3.33Å; F522-Y526 HydrophobicContact CE2-CE2 3.33Å; F522-Y526 HydrophobicContact CG-CD2 4.06Å; F522-Y526 HydrophobicContact CG-CE2 4.35Å; F522-Y526 AromaticContact CZ-CD2 3.84Å; F522-Y526 HydrophobicContact CZ-CD2 3.84Å; F522-Y526 HydrophobicContact CZ-CE2 4.05Å; F522-Y526 WeakPolarHBondContact O-CD2 3.49Å; F522-Y526 PolarHBondContact O-N 2.71Å
523	L	96.1	Very high	94.6	Very high	10 Å²	10	91.1 Å²	91.1	5%	0.052	46%	0.46	C	S	.	.	H	α-helix	trans	-59.1	-37.2	-179.9	-68.8	168.1	0	0	0	111.6	V519 R520 Q527 V528 V536 M537	V519-L523 HydrophobicContact CG1-CD1 3.75Å; V519-L523 HydrophobicContact CG1-CG 4.15Å; V519-L523 WeakPolarHBondContact O-CB 3.24Å; V519-L523 VanDerWaalsContact O-CG 3.24Å; V519-L523 WeakPolarHBondContact O-CG 3.46Å; V519-L523 PolarHBondContact O-N 3.13Å; R520-L523 PolarHBondContact O-N 3.23Å; L523-Q527 PolarHBondContact O-N 2.95Å; L523-V528 HydrophobicContact CB-CB 4.46Å; L523-V528 HydrophobicContact CD2-CB 3.96Å; L523-V528 HydrophobicContact CD2-CG1 3.94Å; L523-V528 HydrophobicContact CD2-CG2 3.89Å; L523-V528 PolarHBondContact O-N 3.15Å; L523-V536 HydrophobicContact CD1-CB 4.4Å; L523-V536 HydrophobicContact CD1-CG1 4.09Å; L523-V536 HydrophobicContact CD2-CG1 4.38Å; L523-M537 HydrophobicContact CD1-CG 4.07Å; L523-M537 HydrophobicContact CD1-SD 4.05Å
524	K	95.4	Very high	94.5	Very high	161 Å²	161	92.2 Å²	92.2	70%	0.7	47%	0.465	S	S	*	.	H	α-helix	trans	-71.4	-43.6	175.4	-174	-178.6	178.2	-173	0	112.8	R520 D521 F522 Q527	R520-K524 VanDerWaalsContact O-CB 3.3Å; R520-K524 WeakPolarHBondContact O-CB 3.05Å; R520-K524 PolarHBondContact O-N 2.77Å; D521-K524 PolarHBondContact O-N 2.67Å; F522-K524 PolarHBondContact O-N 2.71Å; K524-Q527 PolarHBondContact O-N 3.48Å
525	L	97.2	Very high	94.2	Very high	127 Å²	127	91.2 Å²	91.2	67%	0.665	46%	0.455	S	S	*	.	H	α-helix	trans	-61.6	-44.3	179.8	177.6	63.7	0	0	0	111.7	D521 F522 Q527	D521-L525 WeakPolarHBondContact O-CB 3.26Å; D521-L525 PolarHBondContact O-N 3.29Å; F522-L525 PolarHBondContact O-N 2.73Å; L525-Q527 VanDerWaalsContact C-N 3.29Å; L525-Q527 PolarHBondContact O-N 2.81Å
526	Y	97	Very high	94.1	Very high	154 Å²	154	89.4 Å²	89.4	60%	0.604	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	8.8	178.9	-69	-77.6	0	0	0	113.9	F522 V528	F522-Y526 HydrophobicContact CD1-CD2 4.35Å; F522-Y526 AromaticContact CD2-CD2 3.64Å; F522-Y526 HydrophobicContact CD2-CD2 3.64Å; F522-Y526 AromaticContact CD2-CE2 3.51Å; F522-Y526 HydrophobicContact CD2-CE2 3.51Å; F522-Y526 HydrophobicContact CE1-CD2 4.24Å; F522-Y526 AromaticContact CE2-CD2 3.52Å; F522-Y526 HydrophobicContact CE2-CD2 3.52Å; F522-Y526 AromaticContact CE2-CE2 3.33Å; F522-Y526 HydrophobicContact CE2-CE2 3.33Å; F522-Y526 HydrophobicContact CG-CD2 4.06Å; F522-Y526 HydrophobicContact CG-CE2 4.35Å; F522-Y526 AromaticContact CZ-CD2 3.84Å; F522-Y526 HydrophobicContact CZ-CD2 3.84Å; F522-Y526 HydrophobicContact CZ-CE2 4.05Å; F522-Y526 WeakPolarHBondContact O-CD2 3.49Å; F522-Y526 PolarHBondContact O-N 2.71Å; Y526-V528 VanDerWaalsContact C-N 3.28Å; Y526-V528 PolarHBondContact O-N 3.04Å
527	Q	96.4	Very high	94	Very high	174 Å²	174	90.3 Å²	90.3	81%	0.813	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	41.1	176.4	-54.1	-175.9	20.8	0	0	113.7	L523 K524 L525	L523-Q527 PolarHBondContact O-N 2.95Å; K524-Q527 PolarHBondContact O-N 3.48Å; L525-Q527 VanDerWaalsContact C-N 3.29Å; L525-Q527 PolarHBondContact O-N 2.81Å
528	V	95.8	Very high	93.7	Very high	35 Å²	35	92.1 Å²	92.1	21%	0.212	46%	0.463	C	S	.	.			trans	-64	133.9	-174.7	179.1	0	0	0	0	110.7	L523 Y526 K530 L532	L523-V528 HydrophobicContact CB-CB 4.46Å; L523-V528 HydrophobicContact CD2-CB 3.96Å; L523-V528 HydrophobicContact CD2-CG1 3.94Å; L523-V528 HydrophobicContact CD2-CG2 3.89Å; L523-V528 PolarHBondContact O-N 3.15Å; Y526-V528 VanDerWaalsContact C-N 3.28Å; Y526-V528 PolarHBondContact O-N 3.04Å; V528-K530 PolarHBondContact O-N 2.92Å; V528-L532 HydrophobicContact CG1-CB 4.08Å; V528-L532 HydrophobicContact CG1-CD2 3.92Å; V528-L532 HydrophobicContact CG1-CG 3.95Å
529	P	96.6	Very high	93.2	Very high	95 Å²	95	93.9 Å²	93.9	62%	0.617	46%	0.459	S	S	*	.			trans	-55.3	137.5	-179.2	-28.1	35.6	0	0	0	113	G531 L532 S533	P529-G531 PolarHBondContact O-N 3.15Å; P529-L532 PolarHBondContact O-N 3.44Å; P529-S533 PolarHBondContact O-N 3.34Å
530	K	91.9	Very high	92.9	Very high	167 Å²	167	93.5 Å²	93.5	73%	0.726	46%	0.455	S	S	*	.	H	α-helix	trans	-48.2	-52	-170.4	-67.5	-170.2	178.2	-176.5	0	114	V528 L532 S533 E534	V528-K530 PolarHBondContact O-N 2.92Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 PolarHBondContact O-N 3.47Å; K530-S533 CarbonylContact O-C 3.6Å; K530-S533 WeakPolarHBondContact O-CA 3.3Å; K530-S533 WeakPolarHBondContact O-CB 3.47Å; K530-S533 PolarHBondContact O-N 3.37Å; K530-E534 WeakPolarHBondContact O-CB 3.45Å; K530-E534 WeakPolarHBondContact O-CG 3.49Å; K530-E534 PolarHBondContact O-N 2.92Å
531	G	90.2	Very high	92.6	Very high	51 Å²	51	91.1 Å²	91.1	53%	0.526	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-24.3	-179.3	0	0	0	0	0	115	P529 R535	P529-G531 PolarHBondContact O-N 3.15Å; G531-R535 WeakPolarHBondContact O-CB 3.46Å; G531-R535 PolarHBondContact O-N 2.92Å
532	L	89.9	Confident	92.1	Very high	91 Å²	91	88 Å²	88	48%	0.476	44%	0.438	S	S	.	.	H	α-helix	trans	-80.8	-40	170.2	-179.9	58.7	0	0	0	110.9	V528 P529 K530 R535 V536	V528-L532 HydrophobicContact CG1-CB 4.08Å; V528-L532 HydrophobicContact CG1-CD2 3.92Å; V528-L532 HydrophobicContact CG1-CG 3.95Å; P529-L532 PolarHBondContact O-N 3.44Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 PolarHBondContact O-N 3.47Å; L532-R535 PolarHBondContact O-N 3.31Å; L532-V536 HydrophobicContact CD1-CG2 4.24Å; L532-V536 WeakPolarHBondContact O-CB 3.3Å; L532-V536 VanDerWaalsContact O-CG2 3.29Å; L532-V536 WeakPolarHBondContact O-CG2 3.43Å; L532-V536 PolarHBondContact O-N 2.68Å
533	S	91.4	Very high	91.5	Very high	28 Å²	28	85 Å²	85	20%	0.196	43%	0.43	C	S	.	.	H	α-helix	trans	-59.8	-45.2	174.4	-176.1	0	0	0	0	111.9	P529 K530 V536 M537	P529-S533 PolarHBondContact O-N 3.34Å; K530-S533 CarbonylContact O-C 3.6Å; K530-S533 WeakPolarHBondContact O-CA 3.3Å; K530-S533 WeakPolarHBondContact O-CB 3.47Å; K530-S533 PolarHBondContact O-N 3.37Å; S533-V536 PolarHBondContact O-N 3.14Å; S533-M537 VanDerWaalsContact O-CG 3.22Å; S533-M537 WeakPolarHBondContact O-CG 3.34Å; S533-M537 PolarHBondContact O-N 3.36Å
534	E	89.8	Confident	91	Very high	111 Å²	111	87 Å²	87	52%	0.519	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-51.5	177.5	-73.8	155.6	-168.1	0	0	110.3	K530 V536 M537 D538	K530-E534 WeakPolarHBondContact O-CB 3.45Å; K530-E534 WeakPolarHBondContact O-CG 3.49Å; K530-E534 PolarHBondContact O-N 2.92Å; E534-V536 VanDerWaalsContact C-N 3.33Å; E534-V536 PolarHBondContact O-N 3.25Å; E534-M537 WeakPolarHBondContact O-CB 3.31Å; E534-M537 PolarHBondContact O-N 3.26Å; E534-D538 PolarHBondContact O-N 3.03Å
535	R	87.6	Confident	90.5	Very high	111 Å²	111	83.4 Å²	83.4	42%	0.419	43%	0.432	S	S	.	.	H	α-helix	trans	-59.1	-37.5	177	-178.8	170.5	162	-136.2	-14.8	113.7	G531 L532 Y539 D606	G531-R535 WeakPolarHBondContact O-CB 3.46Å; G531-R535 PolarHBondContact O-N 2.92Å; L532-R535 PolarHBondContact O-N 3.31Å; R535-Y539 WeakPolarHBondContact O-CB 3.41Å; R535-Y539 PolarHBondContact O-N 3.23Å; R535-D606 IonicContact CZ-OD1 2.6Å; R535-D606 IonicContact NE-OD1 2.64Å; R535-D606 PolarHBondContact NE-OD1 3.2Å; R535-D606 IonicContact NH2-OD1 2.64Å; R535-D606 PolarHBondContact NH2-OD1 2.81Å
536	V	90.8	Very high	89.8	Confident	47 Å²	47	83.8 Å²	83.8	29%	0.285	43%	0.432	S	S	.	.	H	α-helix	trans	-67.1	-40.2	174.3	168.1	0	0	0	0	111.5	V519 L523 L532 S533 E534 I540	V519-V536 HydrophobicContact CG1-CG1 4.18Å; L523-V536 HydrophobicContact CD1-CB 4.4Å; L523-V536 HydrophobicContact CD1-CG1 4.09Å; L523-V536 HydrophobicContact CD2-CG1 4.38Å; L532-V536 HydrophobicContact CD1-CG2 4.24Å; L532-V536 WeakPolarHBondContact O-CB 3.3Å; L532-V536 VanDerWaalsContact O-CG2 3.29Å; L532-V536 WeakPolarHBondContact O-CG2 3.43Å; L532-V536 PolarHBondContact O-N 2.68Å; S533-V536 PolarHBondContact O-N 3.14Å; E534-V536 VanDerWaalsContact C-N 3.33Å; E534-V536 PolarHBondContact O-N 3.25Å; V536-I540 HydrophobicContact CG1-CD1 4.07Å; V536-I540 WeakPolarHBondContact O-CG1 3.13Å; V536-I540 PolarHBondContact O-N 2.69Å; V536-I540 VanDerWaalsContact O-N 3.14Å
537	M	91.4	Very high	89.1	Confident	31 Å²	31	78.4 Å²	78.4	15%	0.153	42%	0.417	C	S	.	.	H	α-helix	trans	-66.9	-45	176.7	-67.8	-67.3	-62.9	0	0	111.4	L516 V519 L523 S533 E534 Y539 I540 V541	L516-M537 HydrophobicContact CD1-CE 4.25Å; L516-M537 HydrophobicContact CD2-CE 3.67Å; L516-M537 HydrophobicContact CG-CE 3.7Å; V519-M537 HydrophobicContact CG1-SD 4.24Å; L523-M537 HydrophobicContact CD1-CG 4.07Å; L523-M537 HydrophobicContact CD1-SD 4.05Å; S533-M537 VanDerWaalsContact O-CG 3.22Å; S533-M537 WeakPolarHBondContact O-CG 3.34Å; S533-M537 PolarHBondContact O-N 3.36Å; E534-M537 WeakPolarHBondContact O-CB 3.31Å; E534-M537 PolarHBondContact O-N 3.26Å; M537-Y539 VanDerWaalsContact C-N 3.35Å; M537-Y539 PolarHBondContact O-N 3.25Å; M537-I540 PolarHBondContact O-N 3.48Å; M537-I540 VanDerWaalsContact O-N 3.14Å; M537-V541 VanDerWaalsContact O-CG2 3.29Å; M537-V541 WeakPolarHBondContact O-CG2 3.48Å; M537-V541 PolarHBondContact O-N 3.39Å
538	D	88.7	Confident	88.6	Confident	108 Å²	108	79.3 Å²	79.3	58%	0.578	41%	0.413	S	S	*	.	H	α-helix	trans	-63.3	-39.1	177.8	-71.1	-21.5	0	0	0	112.1	E534 I540 V541 S542	E534-D538 PolarHBondContact O-N 3.03Å; D538-I540 PolarHBondContact O-N 3.49Å; D538-V541 PolarHBondContact O-N 3.44Å; D538-S542 VanDerWaalsContact O-CB 3.32Å; D538-S542 WeakPolarHBondContact O-CB 3.37Å; D538-S542 PolarHBondContact O-N 3.05Å; D538-S542 PolarHBondContact O-OG 2.99Å
539	Y	85.9	Confident	88	Confident	113 Å²	113	78.9 Å²	78.9	44%	0.443	42%	0.415	S	S	.	.	H	α-helix	trans	-58.9	-44.3	171.4	171.9	-97.2	0	0	0	111.9	R535 M537 S542 T543	R535-Y539 WeakPolarHBondContact O-CB 3.41Å; R535-Y539 PolarHBondContact O-N 3.23Å; M537-Y539 VanDerWaalsContact C-N 3.35Å; M537-Y539 PolarHBondContact O-N 3.25Å; Y539-S542 PolarHBondContact O-OG 3.48Å; Y539-T543 WeakPolarHBondContact O-CB 3.32Å; Y539-T543 PolarHBondContact O-N 2.91Å; Y539-T543 PolarHBondContact O-OG1 2.96Å
540	I	89.6	Confident	87.7	Confident	27 Å²	27	79.2 Å²	79.2	14%	0.138	41%	0.41	C	S	.	.	H	α-helix	trans	-68.1	-43.1	179.1	-70	165.8	0	0	0	111.4	M515 V519 V536 M537 D538 W544	M515-I540 HydrophobicContact CE-CG2 3.81Å; V519-I540 HydrophobicContact CB-CD1 4.17Å; V519-I540 HydrophobicContact CG1-CD1 3.67Å; V519-I540 HydrophobicContact CG2-CD1 4Å; V536-I540 HydrophobicContact CG1-CD1 4.07Å; V536-I540 WeakPolarHBondContact O-CG1 3.13Å; V536-I540 PolarHBondContact O-N 2.69Å; V536-I540 VanDerWaalsContact O-N 3.14Å; M537-I540 PolarHBondContact O-N 3.48Å; M537-I540 VanDerWaalsContact O-N 3.14Å; D538-I540 PolarHBondContact O-N 3.49Å; I540-W544 VanDerWaalsContact O-CB 3.32Å; I540-W544 WeakPolarHBondContact O-CB 3.42Å; I540-W544 PolarHBondContact O-N 2.95Å
541	V	89.9	Confident	87.5	Confident	63 Å²	63	74.5 Å²	74.5	38%	0.382	39%	0.393	S	S	.	.	H	α-helix	trans	-64.5	-44.6	179.2	173.1	0	0	0	0	111.1	L516 M537 D538 W544 S545	L516-V541 HydrophobicContact CD1-CG2 4.15Å; M537-V541 VanDerWaalsContact O-CG2 3.29Å; M537-V541 WeakPolarHBondContact O-CG2 3.48Å; M537-V541 PolarHBondContact O-N 3.39Å; D538-V541 PolarHBondContact O-N 3.44Å; V541-W544 PolarHBondContact O-N 3.44Å; V541-S545 PolarHBondContact O-N 2.6Å
542	S	84.7	Confident	87.4	Confident	29 Å²	29	76.8 Å²	76.8	20%	0.203	40%	0.397	C	S	.	.	H	α-helix	trans	-70.6	-40.4	177.6	56.7	0	0	0	0	112.7	D538 Y539 W544 S545 M546	D538-S542 VanDerWaalsContact O-CB 3.32Å; D538-S542 WeakPolarHBondContact O-CB 3.37Å; D538-S542 PolarHBondContact O-N 3.05Å; D538-S542 PolarHBondContact O-OG 2.99Å; Y539-S542 PolarHBondContact O-OG 3.48Å; S542-W544 VanDerWaalsContact C-N 3.32Å; S542-W544 PolarHBondContact O-N 3.09Å; S542-S545 PolarHBondContact O-N 2.75Å; S542-S545 PolarHBondContact O-OG 3.2Å; S542-S545 VanDerWaalsContact O-OG 3.04Å; S542-M546 WeakPolarHBondContact O-CB 3.43Å; S542-M546 PolarHBondContact O-N 2.87Å
543	T	84.5	Confident	87.2	Confident	52 Å²	52	77.1 Å²	77.1	32%	0.319	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-40.1	173.6	-60.7	0	0	0	0	111.2	Y539 S547	Y539-T543 WeakPolarHBondContact O-CB 3.32Å; Y539-T543 PolarHBondContact O-N 2.91Å; Y539-T543 PolarHBondContact O-OG1 2.96Å; T543-S547 VanDerWaalsContact O-CB 3.28Å; T543-S547 WeakPolarHBondContact O-CB 3.39Å; T543-S547 PolarHBondContact O-N 3.19Å; T543-S547 PolarHBondContact O-OG 3.41Å
544	W	86.9	Confident	87.2	Confident	52 Å²	52	81.6 Å²	81.6	20%	0.197	41%	0.412	C	S	.	.	H	α-helix	trans	-68.3	-41.1	175.5	-176.5	-91.7	0	0	0	112.6	Y512 M515 I540 V541 S542 M546 R548 G549	Y512-W544 HydrophobicContact CD2-CB 3.98Å; Y512-W544 AromaticContact CD2-CD1 3.81Å; Y512-W544 AromaticContact CD2-CD2 3.27Å; Y512-W544 HydrophobicContact CD2-CD2 3.27Å; Y512-W544 AromaticContact CD2-CE2 3.71Å; Y512-W544 AromaticContact CD2-CE3 3.59Å; Y512-W544 HydrophobicContact CD2-CE3 3.59Å; Y512-W544 AromaticContact CD2-CG 3.41Å; Y512-W544 HydrophobicContact CD2-CG 3.41Å; Y512-W544 VanDerWaalsContact CD2-CG 3.41Å; Y512-W544 HydrophobicContact CD2-CZ2 4.39Å; Y512-W544 HydrophobicContact CD2-CZ3 4.24Å; Y512-W544 AromaticContact CD2-NE1 3.97Å; Y512-W544 HydrophobicContact CE2-CB 3.55Å; Y512-W544 AromaticContact CE2-CD1 3.74Å; Y512-W544 AromaticContact CE2-CD2 3.82Å; Y512-W544 HydrophobicContact CE2-CD2 3.82Å; Y512-W544 HydrophobicContact CE2-CE3 4.37Å; Y512-W544 AromaticContact CE2-CG 3.39Å; Y512-W544 HydrophobicContact CE2-CG 3.39Å; Y512-W544 AromaticContact CG-CD2 3.79Å; Y512-W544 HydrophobicContact CG-CD2 3.79Å; Y512-W544 AromaticContact CG-CE2 3.69Å; Y512-W544 HydrophobicContact CG-CE3 4.24Å; Y512-W544 HydrophobicContact CG-CG 4.12Å; Y512-W544 HydrophobicContact CG-CZ2 4.11Å; Y512-W544 AromaticContact CG-NE1 3.87Å; Y512-W544 AromaticContact CZ-CD1 3.97Å; M515-W544 HydrophobicContact CE-CE3 4.49Å; I540-W544 VanDerWaalsContact O-CB 3.32Å; I540-W544 WeakPolarHBondContact O-CB 3.42Å; I540-W544 PolarHBondContact O-N 2.95Å; V541-W544 PolarHBondContact O-N 3.44Å; S542-W544 VanDerWaalsContact C-N 3.32Å; S542-W544 PolarHBondContact O-N 3.09Å; W544-M546 VanDerWaalsContact C-N 3.33Å; W544-M546 PolarHBondContact O-N 3.44Å; W544-R548 WeakPolarHBondContact O-CA 3.3Å; W544-R548 PolarHBondContact O-N 3.14Å; W544-G549 VanDerWaalsContact CH2-CA 3.44Å
545	S	84.9	Confident	87.3	Confident	86 Å²	86	79.8 Å²	79.8	60%	0.601	41%	0.408	S	S	*	.	H	α-helix	trans	-66.8	-34.1	179.2	73.6	0	0	0	0	112.7	V541 S542	V541-S545 PolarHBondContact O-N 2.6Å; S542-S545 PolarHBondContact O-N 2.75Å; S542-S545 PolarHBondContact O-OG 3.2Å; S542-S545 VanDerWaalsContact O-OG 3.04Å
546	M	81	Confident	87.4	Confident	135 Å²	135	75.4 Å²	75.4	67%	0.665	39%	0.394	S	S	*	.	H	α-helix	trans	-72.8	-54.1	174.2	-171.3	65	75.3	0	0	112.3	S542 W544 R548	S542-M546 WeakPolarHBondContact O-CB 3.43Å; S542-M546 PolarHBondContact O-N 2.87Å; W544-M546 VanDerWaalsContact C-N 3.33Å; W544-M546 PolarHBondContact O-N 3.44Å; M546-R548 VanDerWaalsContact C-N 3.33Å; M546-R548 PolarHBondContact O-N 3.1Å
547	S	83.3	Confident	87.4	Confident	40 Å²	40	79 Å²	79	28%	0.28	41%	0.407	S	S	.	.	H	α-helix	trans	-75	-18.8	-176.7	63.3	0	0	0	0	114.3	T543 G549 I550	T543-S547 VanDerWaalsContact O-CB 3.28Å; T543-S547 WeakPolarHBondContact O-CB 3.39Å; T543-S547 PolarHBondContact O-N 3.19Å; T543-S547 PolarHBondContact O-OG 3.41Å; S547-G549 PolarHBondContact O-N 3.42Å; S547-G549 VanDerWaalsContact O-N 3.16Å; S547-G549 PolarHBondContact OG-N 2.91Å; S547-I550 WeakPolarHBondContact O-CB 3.35Å; S547-I550 WeakPolarHBondContact O-CG1 3.48Å; S547-I550 PolarHBondContact O-N 2.99Å
548	R	85.3	Confident	87.5	Confident	194 Å²	194	84.4 Å²	84.4	73%	0.732	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	21.8	-168.4	-54.6	-177	177	-167	-2.4	113.9	W544 M546	W544-R548 WeakPolarHBondContact O-CA 3.3Å; W544-R548 PolarHBondContact O-N 3.14Å; M546-R548 VanDerWaalsContact C-N 3.33Å; M546-R548 PolarHBondContact O-N 3.1Å
549	G	84.1	Confident	87.7	Confident	25 Å²	25	80.4 Å²	80.4	26%	0.258	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	10.1	-174.2	0	0	0	0	0	115.3	W544 S547 D551	W544-G549 VanDerWaalsContact CH2-CA 3.44Å; S547-G549 PolarHBondContact O-N 3.42Å; S547-G549 VanDerWaalsContact O-N 3.16Å; S547-G549 PolarHBondContact OG-N 2.91Å; G549-D551 PolarHBondContact O-N 3.04Å
550	I	89.4	Confident	88	Confident	102 Å²	102	78.7 Å²	78.7	52%	0.523	42%	0.418	S	S	.	.			trans	-80.9	115.4	178.2	-57.5	173.4	0	0	0	109.7	S547 T552 V555	S547-I550 WeakPolarHBondContact O-CB 3.35Å; S547-I550 WeakPolarHBondContact O-CG1 3.48Å; S547-I550 PolarHBondContact O-N 2.99Å; I550-T552 PolarHBondContact O-N 2.68Å; I550-V555 HydrophobicContact CG2-CG2 3.84Å
551	D	87.6	Confident	88	Confident	69 Å²	69	85.3 Å²	85.3	37%	0.369	45%	0.446	S	S	.	.			trans	-76.3	103.5	169.6	-173.8	-46	0	0	0	109.6	G549 E553 K554 V555	G549-D551 PolarHBondContact O-N 3.04Å; D551-E553 PolarHBondContact O-N 2.7Å; D551-E553 PolarHBondContact OD1-N 3.31Å; D551-K554 HydrophobicContact CB-CB 4.09Å; D551-K554 HydrophobicContact CB-CD 4.11Å; D551-K554 HydrophobicContact CB-CG 4.27Å; D551-K554 PolarHBondContact O-N 3.15Å; D551-K554 WeakPolarHBondContact OD1-CG 3.3Å; D551-K554 PolarHBondContact OD1-N 3.43Å; D551-K554 WeakPolarHBondContact OD2-CD 3.48Å; D551-K554 IonicContact OD2-NZ 3.38Å; D551-K554 PolarHBondContact OD2-NZ 3.48Å; D551-V555 WeakPolarHBondContact O-CG2 3.36Å; D551-V555 PolarHBondContact O-N 2.91Å; D551-V555 VanDerWaalsContact O-N 3.11Å
552	T	88.2	Confident	88	Confident	99 Å²	99	86.8 Å²	86.8	61%	0.607	45%	0.452	S	S	*	.	H	α-helix	trans	-62.5	-41	-174.9	47.3	0	0	0	0	112.5	I550 V555 L556	I550-T552 PolarHBondContact O-N 2.68Å; T552-V555 PolarHBondContact O-N 2.79Å; T552-L556 VanDerWaalsContact O-CG 3.29Å; T552-L556 WeakPolarHBondContact O-CG 3.43Å; T552-L556 PolarHBondContact O-N 3.24Å
553	E	87.1	Confident	88.4	Confident	98 Å²	98	90.6 Å²	90.6	46%	0.458	47%	0.467	S	S	.	.	H	α-helix	trans	-65.8	-44	179.9	178.2	54.4	-153.9	0	0	111.1	D551 V555 L556 Q557	D551-E553 PolarHBondContact O-N 2.7Å; D551-E553 PolarHBondContact OD1-N 3.31Å; E553-V555 VanDerWaalsContact C-N 3.31Å; E553-V555 PolarHBondContact O-N 2.67Å; E553-L556 PolarHBondContact O-N 3.08Å; E553-Q557 VanDerWaalsContact O-CG 3.3Å; E553-Q557 WeakPolarHBondContact O-CG 3.41Å; E553-Q557 PolarHBondContact O-N 2.97Å; E553-Q557 WeakPolarHBondContact OE1-CG 3.46Å; E553-Q557 PolarHBondContact OE1-NE2 2.82Å
554	K	89.8	Confident	88.8	Confident	121 Å²	121	91 Å²	91	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-38.5	173.7	-72.8	-179.1	-177.3	64.1	0	112.5	D551 Q557 I558	D551-K554 HydrophobicContact CB-CB 4.09Å; D551-K554 HydrophobicContact CB-CD 4.11Å; D551-K554 HydrophobicContact CB-CG 4.27Å; D551-K554 PolarHBondContact O-N 3.15Å; D551-K554 WeakPolarHBondContact OD1-CG 3.3Å; D551-K554 PolarHBondContact OD1-N 3.43Å; D551-K554 WeakPolarHBondContact OD2-CD 3.48Å; D551-K554 IonicContact OD2-NZ 3.38Å; D551-K554 PolarHBondContact OD2-NZ 3.48Å; K554-Q557 PolarHBondContact O-N 2.77Å; K554-I558 WeakPolarHBondContact O-CG1 3.49Å; K554-I558 PolarHBondContact O-N 3.33Å
555	V	92.5	Very high	89.1	Confident	73 Å²	73	88.9 Å²	88.9	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-65.7	-42.7	175.6	171.6	0	0	0	0	111.3	I550 D551 T552 E553 Q557 I558	I550-V555 HydrophobicContact CG2-CG2 3.84Å; D551-V555 WeakPolarHBondContact O-CG2 3.36Å; D551-V555 PolarHBondContact O-N 2.91Å; D551-V555 VanDerWaalsContact O-N 3.11Å; T552-V555 PolarHBondContact O-N 2.79Å; E553-V555 VanDerWaalsContact C-N 3.31Å; E553-V555 PolarHBondContact O-N 2.67Å; V555-Q557 VanDerWaalsContact C-N 3.34Å; V555-Q557 PolarHBondContact O-N 2.71Å; V555-I558 PolarHBondContact O-N 2.88Å
556	L	90.4	Very high	89.6	Confident	20 Å²	20	88 Å²	88	11%	0.105	45%	0.446	C	S	.	.	H	α-helix	trans	-64.5	-36.7	175.9	-68.9	171.7	0	0	0	112	T552 E553 I558 C559 R564 I567	T552-L556 VanDerWaalsContact O-CG 3.29Å; T552-L556 WeakPolarHBondContact O-CG 3.43Å; T552-L556 PolarHBondContact O-N 3.24Å; E553-L556 PolarHBondContact O-N 3.08Å; L556-I558 VanDerWaalsContact C-N 3.31Å; L556-I558 PolarHBondContact O-N 3.25Å; L556-C559 WeakPolarHBondContact O-CB 3.38Å; L556-C559 PolarHBondContact O-N 3.38Å; L556-C559 VanDerWaalsContact O-N 3.08Å; L556-R564 HydrophobicContact CB-CG 4.01Å; L556-R564 HydrophobicContact CD2-CG 4.07Å; L556-R564 VanDerWaalsContact O-CD 3.32Å; L556-R564 WeakPolarHBondContact O-CD 3.26Å; L556-R564 PolarHBondContact O-NH1 3.48Å; L556-I567 HydrophobicContact CD2-CB 4.14Å; L556-I567 HydrophobicContact CD2-CG2 3.61Å
557	Q	91.3	Very high	90.3	Very high	122 Å²	122	84.8 Å²	84.8	57%	0.57	43%	0.43	S	S	*	.	H	α-helix	trans	-66	-28.2	176.6	-73.7	176.6	12	0	0	113.7	E553 K554 V555 C559	E553-Q557 VanDerWaalsContact O-CG 3.3Å; E553-Q557 WeakPolarHBondContact O-CG 3.41Å; E553-Q557 PolarHBondContact O-N 2.97Å; E553-Q557 WeakPolarHBondContact OE1-CG 3.46Å; E553-Q557 PolarHBondContact OE1-NE2 2.82Å; K554-Q557 PolarHBondContact O-N 2.77Å; V555-Q557 VanDerWaalsContact C-N 3.34Å; V555-Q557 PolarHBondContact O-N 2.71Å; Q557-C559 VanDerWaalsContact C-N 3.27Å; Q557-C559 PolarHBondContact O-N 3.03Å
558	I	93.2	Very high	90.8	Very high	144 Å²	144	83.3 Å²	83.3	74%	0.738	42%	0.42	S	S	*	.	H	α-helix	trans	-67.7	-29.5	171.6	-66.1	164.3	0	0	0	111	K554 V555 L556	K554-I558 WeakPolarHBondContact O-CG1 3.49Å; K554-I558 PolarHBondContact O-N 3.33Å; V555-I558 PolarHBondContact O-N 2.88Å; L556-I558 VanDerWaalsContact C-N 3.31Å; L556-I558 PolarHBondContact O-N 3.25Å
559	C	91.6	Very high	91.3	Very high	24 Å²	24	75.5 Å²	75.5	16%	0.162	39%	0.394	C	S	.	.	S	Bend	trans	-78.8	140.4	-179.1	-61.2	0	0	0	0	112.6	L556 Q557 M563 R564 I567	L556-C559 WeakPolarHBondContact O-CB 3.38Å; L556-C559 PolarHBondContact O-N 3.38Å; L556-C559 VanDerWaalsContact O-N 3.08Å; Q557-C559 VanDerWaalsContact C-N 3.27Å; Q557-C559 PolarHBondContact O-N 3.03Å; C559-M563 HydrophobicContact CB-CB 4.48Å; C559-R564 HydrophobicContact CB-CB 4.12Å; C559-R564 PolarHBondContact O-NH1 3.43Å; C559-I567 HydrophobicContact CB-CD1 4.4Å
560	P	93.2	Very high	91.9	Very high	77 Å²	77	79.6 Å²	79.6	50%	0.5	41%	0.406	S	S	.	.			trans	-64.5	155.7	172.1	29.4	-35.2	0	0	0	110.9	D562 M563 R564	P560-D562 PolarHBondContact O-N 3.25Å; P560-M563 HydrophobicContact CG-CB 4.05Å; P560-M563 HydrophobicContact CG-CG 3.92Å; P560-M563 HydrophobicContact CG-SD 3.64Å; P560-M563 PolarHBondContact O-N 2.88Å; P560-R564 WeakPolarHBondContact O-CB 3.48Å; P560-R564 PolarHBondContact O-N 3.35Å
561	K	90	Very high	92	Very high	166 Å²	166	78.4 Å²	78.4	72%	0.722	40%	0.4	S	S	*	.	H	α-helix	trans	-47.9	-42	-170.9	-178.3	-179.4	175.7	-178.1	0	114.3	A565	K561-A565 WeakPolarHBondContact O-CB 3.45Å; K561-A565 PolarHBondContact O-N 2.83Å
562	D	89.6	Confident	92.4	Very high	95 Å²	95	75.3 Å²	75.3	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-69	-55.8	-176.9	-163.5	57.9	0	0	0	111.7	P560 R564 A565 D566 R591	P560-D562 PolarHBondContact O-N 3.25Å; D562-R564 VanDerWaalsContact C-N 3.27Å; D562-R564 PolarHBondContact O-N 3.23Å; D562-A565 WeakPolarHBondContact O-CB 3.32Å; D562-A565 PolarHBondContact O-N 3.46Å; D562-A565 VanDerWaalsContact O-N 3.08Å; D562-D566 PolarHBondContact O-N 3.06Å; D562-R591 IonicContact OD1-CZ 2.65Å; D562-R591 IonicContact OD1-NH1 2.73Å; D562-R591 PolarHBondContact OD1-NH1 3.49Å; D562-R591 IonicContact OD1-NH2 2.66Å
563	M	92.6	Very high	92.7	Very high	108 Å²	108	75.8 Å²	75.8	53%	0.532	37%	0.374	S	S	.	.	H	α-helix	trans	-57.9	-38.5	174	-66	177.7	68.8	0	0	112.5	C559 P560 D566 I567	C559-M563 HydrophobicContact CB-CB 4.48Å; P560-M563 HydrophobicContact CG-CB 4.05Å; P560-M563 HydrophobicContact CG-CG 3.92Å; P560-M563 HydrophobicContact CG-SD 3.64Å; P560-M563 PolarHBondContact O-N 2.88Å; M563-D566 PolarHBondContact O-N 3.09Å; M563-I567 WeakPolarHBondContact O-CB 3.47Å; M563-I567 WeakPolarHBondContact O-CD1 3.36Å; M563-I567 VanDerWaalsContact O-CG1 3.22Å; M563-I567 WeakPolarHBondContact O-CG1 3.41Å; M563-I567 PolarHBondContact O-N 2.89Å
564	R	93.3	Very high	92.9	Very high	60 Å²	60	74.9 Å²	74.9	23%	0.226	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-45.3	175.8	-177.8	175.2	52.6	-117	15.4	111	L556 C559 P560 D562 D566 I567 C568 M595	L556-R564 HydrophobicContact CB-CG 4.01Å; L556-R564 HydrophobicContact CD2-CG 4.07Å; L556-R564 VanDerWaalsContact O-CD 3.32Å; L556-R564 WeakPolarHBondContact O-CD 3.26Å; L556-R564 PolarHBondContact O-NH1 3.48Å; C559-R564 HydrophobicContact CB-CB 4.12Å; C559-R564 PolarHBondContact O-NH1 3.43Å; P560-R564 WeakPolarHBondContact O-CB 3.48Å; P560-R564 PolarHBondContact O-N 3.35Å; D562-R564 VanDerWaalsContact C-N 3.27Å; D562-R564 PolarHBondContact O-N 3.23Å; R564-D566 PolarHBondContact O-N 3.21Å; R564-I567 PolarHBondContact O-N 2.82Å; R564-C568 WeakPolarHBondContact O-CB 3.09Å; R564-C568 PolarHBondContact O-N 3.32Å; R564-C568 PolarHBondContact O-SG 2.89Å; R564-M595 HydrophobicContact CB-SD 4.47Å; R564-M595 HydrophobicContact CG-CE 4.19Å; R564-M595 HydrophobicContact CG-SD 3.78Å
565	A	93.4	Very high	93.2	Very high	9 Å²	9	69.1 Å²	69.1	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-42.9	176.9	0	0	0	0	0	111.8	K561 D562 C568 V569 R591 M595	K561-A565 WeakPolarHBondContact O-CB 3.45Å; K561-A565 PolarHBondContact O-N 2.83Å; D562-A565 WeakPolarHBondContact O-CB 3.32Å; D562-A565 PolarHBondContact O-N 3.46Å; D562-A565 VanDerWaalsContact O-N 3.08Å; A565-C568 PolarHBondContact O-N 3.08Å; A565-V569 WeakPolarHBondContact O-CG2 3.23Å; A565-V569 PolarHBondContact O-N 3.28Å; A565-R591 HydrophobicContact CB-CB 4.19Å; A565-R591 HydrophobicContact CB-CG 4.25Å; A565-M595 HydrophobicContact CB-CG 4.34Å; A565-M595 HydrophobicContact CB-SD 4.38Å
566	D	94.6	Very high	93.3	Very high	68 Å²	68	66.5 Å²	66.5	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-39.1	176.5	-77	-27.9	0	0	0	113.2	D562 M563 R564 V569 H570 R591	D562-D566 PolarHBondContact O-N 3.06Å; M563-D566 PolarHBondContact O-N 3.09Å; R564-D566 PolarHBondContact O-N 3.21Å; D566-V569 PolarHBondContact O-N 3.17Å; D566-H570 WeakPolarHBondContact O-CB 3.41Å; D566-H570 PolarHBondContact O-N 3.15Å; D566-R591 IonicContact OD1-CZ 3.92Å; D566-R591 IonicContact OD1-NE 2.69Å; D566-R591 PolarHBondContact OD1-NE 2.6Å; D566-R591 IonicContact OD1-NH2 2.93Å; D566-R591 PolarHBondContact OD1-NH2 2.98Å; D566-R591 IonicContact OD2-CZ 3.9Å; D566-R591 IonicContact OD2-NH2 2.75Å; D566-R591 PolarHBondContact OD2-NH2 3.34Å
567	I	95.1	Very high	93.4	Very high	66 Å²	66	74 Å²	74	34%	0.338	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-46.1	172.6	-67.8	162.3	0	0	0	109.7	L556 C559 M563 R564 V569 H570 L571	L556-I567 HydrophobicContact CD2-CB 4.14Å; L556-I567 HydrophobicContact CD2-CG2 3.61Å; C559-I567 HydrophobicContact CB-CD1 4.4Å; M563-I567 WeakPolarHBondContact O-CB 3.47Å; M563-I567 WeakPolarHBondContact O-CD1 3.36Å; M563-I567 VanDerWaalsContact O-CG1 3.22Å; M563-I567 WeakPolarHBondContact O-CG1 3.41Å; M563-I567 PolarHBondContact O-N 2.89Å; R564-I567 PolarHBondContact O-N 2.82Å; I567-V569 VanDerWaalsContact C-N 3.35Å; I567-V569 PolarHBondContact O-N 3.5Å; I567-H570 CarbonylContact O-C 3.56Å; I567-H570 WeakPolarHBondContact O-CA 3.4Å; I567-H570 WeakPolarHBondContact O-CB 3.49Å; I567-H570 PolarHBondContact O-N 2.64Å; I567-H570 VanDerWaalsContact O-N 3.12Å; I567-L571 HydrophobicContact CG2-CD1 4.2Å; I567-L571 HydrophobicContact CG2-CG 4.43Å; I567-L571 WeakPolarHBondContact O-CG 3.45Å; I567-L571 PolarHBondContact O-N 3.16Å
568	C	95	Very high	93.5	Very high	9 Å²	9	72 Å²	72	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-37.3	176.5	-68.5	0	0	0	0	112.6	R564 A565 H570 L571 N572 A594	R564-C568 WeakPolarHBondContact O-CB 3.09Å; R564-C568 PolarHBondContact O-N 3.32Å; R564-C568 PolarHBondContact O-SG 2.89Å; A565-C568 PolarHBondContact O-N 3.08Å; C568-H570 VanDerWaalsContact C-N 3.32Å; C568-L571 PolarHBondContact O-N 3.16Å; C568-N572 WeakPolarHBondContact O-CB 3.2Å; C568-N572 PolarHBondContact O-N 3.13Å; C568-N572 PolarHBondContact O-ND2 3.31Å; C568-A594 HydrophobicContact CB-CB 3.82Å; C568-A594 WeakPolarHBondContact CB-O 3.38Å
569	V	95.9	Very high	93.6	Very high	31 Å²	31	65.8 Å²	65.8	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-37.3	172.7	169.5	0	0	0	0	110.7	A565 D566 I567 N572 R573 F576 R591 A594	A565-V569 WeakPolarHBondContact O-CG2 3.23Å; A565-V569 PolarHBondContact O-N 3.28Å; D566-V569 PolarHBondContact O-N 3.17Å; I567-V569 VanDerWaalsContact C-N 3.35Å; I567-V569 PolarHBondContact O-N 3.5Å; V569-N572 CarbonylContact O-C 3.58Å; V569-R573 WeakPolarHBondContact O-CA 3.32Å; V569-R573 PolarHBondContact O-N 3.12Å; V569-F576 HydrophobicContact CG2-CE2 4.46Å; V569-R591 HydrophobicContact CG2-CG 3.99Å; V569-A594 HydrophobicContact CB-CB 4.38Å; V569-A594 HydrophobicContact CG2-CB 3.56Å
570	H	95.1	Very high	93.6	Very high	111 Å²	111	68.7 Å²	68.7	51%	0.514	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-43.5	173.4	-172.5	96.7	0	0	0	112.3	D566 I567 C568 R573	D566-H570 WeakPolarHBondContact O-CB 3.41Å; D566-H570 PolarHBondContact O-N 3.15Å; I567-H570 CarbonylContact O-C 3.56Å; I567-H570 WeakPolarHBondContact O-CA 3.4Å; I567-H570 WeakPolarHBondContact O-CB 3.49Å; I567-H570 PolarHBondContact O-N 2.64Å; I567-H570 VanDerWaalsContact O-N 3.12Å; C568-H570 VanDerWaalsContact C-N 3.32Å; H570-R573 PolarHBondContact CD2-NH1 2.96Å; H570-R573 PolarHBondContact NE2-NH1 3.12Å; H570-R573 WeakPolarHBondContact O-CB 3.5Å; H570-R573 WeakPolarHBondContact O-CD 3.37Å; H570-R573 WeakPolarHBondContact O-CG 3.4Å; H570-R573 PolarHBondContact O-N 3Å; H570-R573 PolarHBondContact O-NH1 3.28Å
571	L	92.6	Very high	93.7	Very high	77 Å²	77	65 Å²	65	40%	0.403	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-50.9	175.7	-69.1	171.3	0	0	0	110.3	I567 C568 R573	I567-L571 HydrophobicContact CG2-CD1 4.2Å; I567-L571 HydrophobicContact CG2-CG 4.43Å; I567-L571 WeakPolarHBondContact O-CG 3.45Å; I567-L571 PolarHBondContact O-N 3.16Å; C568-L571 PolarHBondContact O-N 3.16Å; L571-R573 PolarHBondContact O-N 2.99Å
572	N	95.5	Very high	93.9	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	6.1	179.8	-67	-66.7	0	0	0	114.6	C568 V569 K574 V575 F576 A594 F597 H670	C568-N572 WeakPolarHBondContact O-CB 3.2Å; C568-N572 PolarHBondContact O-N 3.13Å; C568-N572 PolarHBondContact O-ND2 3.31Å; V569-N572 CarbonylContact O-C 3.58Å; N572-K574 PolarHBondContact O-N 3.16Å; N572-V575 PolarHBondContact O-N 3.47Å; N572-F576 HydrophobicContact CB-CD2 3.87Å; N572-F576 HydrophobicContact CB-CE2 3.39Å; N572-F576 HydrophobicContact CB-CZ 3.87Å; N572-F576 WeakPolarHBondContact O-CD2 3.42Å; N572-F576 PolarHBondContact O-N 3.17Å; N572-F576 VanDerWaalsContact O-N 3.14Å; N572-A594 PolarHBondContact ND2-O 3.08Å; N572-F597 WeakPolarHBondContact ND2-CB 3.28Å; N572-F597 VanDerWaalsContact OD1-CB 3.32Å; N572-F597 WeakPolarHBondContact OD1-CB 3.35Å; N572-H670 PolarHBondContact OD1-ND1 2.89Å
573	R	94.4	Very high	94	Very high	110 Å²	110	63.5 Å²	63.5	42%	0.415	29%	0.294	S	S	.	.	H	α-helix	trans	-55.5	-25	-176.8	74.2	-168.8	175.8	-72.6	6.1	114.2	V569 H570 L571 K577	V569-R573 WeakPolarHBondContact O-CA 3.32Å; V569-R573 PolarHBondContact O-N 3.12Å; H570-R573 PolarHBondContact CD2-NH1 2.96Å; H570-R573 PolarHBondContact NE2-NH1 3.12Å; H570-R573 WeakPolarHBondContact O-CB 3.5Å; H570-R573 WeakPolarHBondContact O-CD 3.37Å; H570-R573 WeakPolarHBondContact O-CG 3.4Å; H570-R573 PolarHBondContact O-N 3Å; H570-R573 PolarHBondContact O-NH1 3.28Å; L571-R573 PolarHBondContact O-N 2.99Å; R573-K577 VanDerWaalsContact O-CB 3.28Å; R573-K577 WeakPolarHBondContact O-CB 3.19Å; R573-K577 WeakPolarHBondContact O-CG 3.43Å; R573-K577 PolarHBondContact O-N 3.38Å
574	K	91.5	Very high	94	Very high	79 Å²	79	63.8 Å²	63.8	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-56.5	174.6	-81	-78	173.8	178.2	0	110.7	N572 F576 K577 E578 V622	N572-K574 PolarHBondContact O-N 3.16Å; K574-F576 PolarHBondContact O-N 3.48Å; K574-K577 PolarHBondContact O-N 3.19Å; K574-E578 WeakPolarHBondContact CD-OE1 3.36Å; K574-E578 IonicContact NZ-OE1 2.72Å; K574-E578 PolarHBondContact NZ-OE1 2.97Å; K574-E578 VanDerWaalsContact O-CB 3.27Å; K574-E578 WeakPolarHBondContact O-CB 3.34Å; K574-E578 WeakPolarHBondContact O-CG 3.32Å; K574-E578 PolarHBondContact O-N 2.92Å; K574-V622 HydrophobicContact CB-CB 4.4Å; K574-V622 HydrophobicContact CB-CG1 3.55Å; K574-V622 HydrophobicContact CB-CG2 3.92Å; K574-V622 HydrophobicContact CD-CG1 4.06Å; K574-V622 HydrophobicContact CG-CG1 3.63Å
575	V	95.5	Very high	94.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57	-50.4	178	-178.8	0	0	0	0	111.2	N572 K577 H579 F582 F597 F620 V622 H670	N572-V575 PolarHBondContact O-N 3.47Å; V575-K577 VanDerWaalsContact C-N 3.35Å; V575-K577 PolarHBondContact O-N 3.01Å; V575-H579 PolarHBondContact O-CD2 3.05Å; V575-H579 PolarHBondContact O-N 2.71Å; V575-F582 HydrophobicContact CG1-CD2 3.95Å; V575-F582 HydrophobicContact CG1-CE2 3.41Å; V575-F582 VanDerWaalsContact CG1-CE2 3.41Å; V575-F582 HydrophobicContact CG1-CZ 4.1Å; V575-F597 HydrophobicContact CG1-CE1 4.46Å; V575-F597 HydrophobicContact CG1-CZ 4.07Å; V575-F620 HydrophobicContact CG1-CB 4.32Å; V575-F620 HydrophobicContact CG1-CD1 3.83Å; V575-F620 HydrophobicContact CG1-CD2 4.32Å; V575-F620 HydrophobicContact CG1-CE1 4.2Å; V575-F620 HydrophobicContact CG1-CG 3.91Å; V575-F620 HydrophobicContact CG2-CB 4.01Å; V575-F620 HydrophobicContact CG2-CG 4.45Å; V575-V622 HydrophobicContact CG2-CG2 3.74Å; V575-H670 HydrophobicContact CG2-CB 3.48Å; V575-H670 VanDerWaalsContact CG2-CB 3.48Å
576	F	95.6	Very high	94.2	Very high	17 Å²	17	64.3 Å²	64.3	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-71.2	-23.5	-173.6	-59.1	-40.1	0	0	0	115.2	V569 N572 K574 F582 L590 L593 A594 F597	V569-F576 HydrophobicContact CG2-CE2 4.46Å; N572-F576 HydrophobicContact CB-CD2 3.87Å; N572-F576 HydrophobicContact CB-CE2 3.39Å; N572-F576 HydrophobicContact CB-CZ 3.87Å; N572-F576 WeakPolarHBondContact O-CD2 3.42Å; N572-F576 PolarHBondContact O-N 3.17Å; N572-F576 VanDerWaalsContact O-N 3.14Å; K574-F576 PolarHBondContact O-N 3.48Å; F576-F582 HydrophobicContact CB-CB 4.46Å; F576-F582 HydrophobicContact CD1-CB 4.07Å; F576-F582 AromaticContact CD1-CD1 3.94Å; F576-F582 HydrophobicContact CD1-CD1 3.94Å; F576-F582 HydrophobicContact CD1-CD2 4.12Å; F576-F582 HydrophobicContact CD1-CE1 4.42Å; F576-F582 AromaticContact CD1-CG 3.77Å; F576-F582 HydrophobicContact CD1-CG 3.77Å; F576-F582 HydrophobicContact CE1-CD1 4.15Å; F576-F582 HydrophobicContact CE1-CE1 4.3Å; F576-F582 HydrophobicContact CE1-CG 4.42Å; F576-L590 HydrophobicContact CB-CD2 4.1Å; F576-L590 HydrophobicContact CD1-CD2 3.65Å; F576-L590 HydrophobicContact CD2-CD2 4.25Å; F576-L590 HydrophobicContact CE1-CD2 4.07Å; F576-L590 HydrophobicContact CG-CD2 3.76Å; F576-L593 HydrophobicContact CE1-CB 4.13Å; F576-L593 HydrophobicContact CE1-CD1 4.33Å; F576-L593 HydrophobicContact CZ-CB 4.05Å; F576-A594 HydrophobicContact CE2-CB 3.83Å; F576-A594 HydrophobicContact CZ-CB 3.98Å; F576-F597 HydrophobicContact CE1-CD2 4.15Å; F576-F597 AromaticContact CE1-CE2 3.78Å; F576-F597 HydrophobicContact CE1-CE2 3.78Å; F576-F597 AromaticContact CZ-CD2 3.97Å; F576-F597 HydrophobicContact CZ-CD2 3.97Å; F576-F597 HydrophobicContact CZ-CE2 4.09Å
577	K	93.2	Very high	94.1	Very high	179 Å²	179	65.6 Å²	65.6	78%	0.778	32%	0.318	S	S	*	.	H	α-helix	trans	-99.9	-26.5	179.3	-65.5	-172.2	176.7	-169	0	113.9	R573 K574 V575	R573-K577 VanDerWaalsContact O-CB 3.28Å; R573-K577 WeakPolarHBondContact O-CB 3.19Å; R573-K577 WeakPolarHBondContact O-CG 3.43Å; R573-K577 PolarHBondContact O-N 3.38Å; K574-K577 PolarHBondContact O-N 3.19Å; V575-K577 VanDerWaalsContact C-N 3.35Å; V575-K577 PolarHBondContact O-N 3.01Å
578	E	92.7	Very high	94.1	Very high	78 Å²	78	64 Å²	64	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-91.7	-31.2	-176.2	-61.4	-178	172.7	0	0	112.6	K574 K640	K574-E578 WeakPolarHBondContact CD-OE1 3.36Å; K574-E578 IonicContact NZ-OE1 2.72Å; K574-E578 PolarHBondContact NZ-OE1 2.97Å; K574-E578 VanDerWaalsContact O-CB 3.27Å; K574-E578 WeakPolarHBondContact O-CB 3.34Å; K574-E578 WeakPolarHBondContact O-CG 3.32Å; K574-E578 PolarHBondContact O-N 2.92Å; E578-K640 IonicContact OE1-NZ 3.79Å; E578-K640 PolarHBondContact OE1-NZ 3.04Å; E578-K640 VanDerWaalsContact OE1-NZ 3.11Å; E578-K640 IonicContact OE2-NZ 2.69Å; E578-K640 PolarHBondContact OE2-NZ 3.35Å
579	H	94.1	Very high	94.1	Very high	14 Å²	14	63.6 Å²	63.6	7%	0.065	32%	0.315	C	S	.	.	S	Bend	trans	-93.4	136.4	179.1	-60.6	-95.3	0	0	0	113.6	V575 A581 F582 F620 G641 V643	V575-H579 PolarHBondContact O-CD2 3.05Å; V575-H579 PolarHBondContact O-N 2.71Å; H579-A581 PolarHBondContact O-N 2.64Å; H579-F582 HydrophobicContact CB-CD2 4.15Å; H579-F582 HydrophobicContact CB-CE2 4.41Å; H579-F582 PolarHBondContact O-N 2.95Å; H579-F620 AromaticContact CD2-CD1 3.91Å; H579-F620 AromaticContact CE1-CD1 3.77Å; H579-F620 AromaticContact NE2-CD1 3.66Å; H579-G641 PolarHBondContact CE1-O 2.95Å; H579-G641 PolarHBondContact ND1-O 3.12Å; H579-V643 WeakPolarHBondContact CE1-CG2 3.26Å; H579-V643 WeakPolarHBondContact ND1-CG2 3.2Å
580	P	93.1	Very high	94.1	Very high	86 Å²	86	63.6 Å²	63.6	56%	0.558	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.1	-177.6	28.5	-36.3	0	0	0	114	F582 R583	P580-F582 VanDerWaalsContact C-N 3.29Å; P580-F582 PolarHBondContact O-N 3.05Å; P580-R583 PolarHBondContact O-N 3.16Å
581	A	94.6	Very high	94.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.8	179.2	0	0	0	0	0	113.4	H579 F687 F691 L695	H579-A581 PolarHBondContact O-N 2.64Å; A581-F687 WeakPolarHBondContact O-CE2 3.32Å; A581-F691 HydrophobicContact CB-CD2 3.95Å; A581-F691 HydrophobicContact CB-CE2 4.14Å; A581-L695 HydrophobicContact CB-CB 3.77Å; A581-L695 HydrophobicContact CB-CD1 4.09Å; A581-L695 HydrophobicContact CB-CG 4.42Å
582	F	95.4	Very high	94.3	Very high	4 Å²	4	59 Å²	59	2%	0.018	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-9	-175.1	-56.7	-71.7	0	0	0	114	V575 F576 H579 P580 L584 A585 L590 L593 F597 F620 F687 F691	V575-F582 HydrophobicContact CG1-CD2 3.95Å; V575-F582 HydrophobicContact CG1-CE2 3.41Å; V575-F582 VanDerWaalsContact CG1-CE2 3.41Å; V575-F582 HydrophobicContact CG1-CZ 4.1Å; F576-F582 HydrophobicContact CB-CB 4.46Å; F576-F582 HydrophobicContact CD1-CB 4.07Å; F576-F582 AromaticContact CD1-CD1 3.94Å; F576-F582 HydrophobicContact CD1-CD1 3.94Å; F576-F582 HydrophobicContact CD1-CD2 4.12Å; F576-F582 HydrophobicContact CD1-CE1 4.42Å; F576-F582 AromaticContact CD1-CG 3.77Å; F576-F582 HydrophobicContact CD1-CG 3.77Å; F576-F582 HydrophobicContact CE1-CD1 4.15Å; F576-F582 HydrophobicContact CE1-CE1 4.3Å; F576-F582 HydrophobicContact CE1-CG 4.42Å; H579-F582 HydrophobicContact CB-CD2 4.15Å; H579-F582 HydrophobicContact CB-CE2 4.41Å; H579-F582 PolarHBondContact O-N 2.95Å; P580-F582 VanDerWaalsContact C-N 3.29Å; P580-F582 PolarHBondContact O-N 3.05Å; F582-L584 PolarHBondContact O-N 2.94Å; F582-L584 VanDerWaalsContact O-N 3.09Å; F582-A585 VanDerWaalsContact O-CB 3.28Å; F582-A585 WeakPolarHBondContact O-CB 3.28Å; F582-A585 PolarHBondContact O-N 3.4Å; F582-L590 HydrophobicContact CB-CD2 4.22Å; F582-L593 HydrophobicContact CD1-CD1 3.81Å; F582-L593 HydrophobicContact CE1-CD1 3.73Å; F582-F597 HydrophobicContact CZ-CE2 4.46Å; F582-F597 HydrophobicContact CZ-CZ 4.22Å; F582-F620 HydrophobicContact CE2-CD1 4.39Å; F582-F620 AromaticContact CE2-CE1 3.64Å; F582-F620 HydrophobicContact CE2-CE1 3.64Å; F582-F620 AromaticContact CE2-CZ 3.84Å; F582-F620 HydrophobicContact CE2-CZ 3.84Å; F582-F620 AromaticContact CZ-CE1 3.97Å; F582-F620 HydrophobicContact CZ-CE1 3.97Å; F582-F620 HydrophobicContact CZ-CE2 4.41Å; F582-F620 AromaticContact CZ-CZ 3.65Å; F582-F620 HydrophobicContact CZ-CZ 3.65Å; F582-F687 HydrophobicContact CD1-CZ 4.05Å; F582-F691 HydrophobicContact CD1-CE2 4.41Å; F582-F691 HydrophobicContact CE1-CD2 4.25Å; F582-F691 AromaticContact CE1-CE2 3.61Å; F582-F691 HydrophobicContact CE1-CE2 3.61Å; F582-F691 AromaticContact CZ-CE2 3.76Å; F582-F691 HydrophobicContact CZ-CE2 3.76Å
583	R	90.9	Very high	94.4	Very high	225 Å²	225	58.9 Å²	58.9	85%	0.849	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.9	-178.5	-176.4	175.1	174.6	-170.1	-2.1	114	P580	P580-R583 PolarHBondContact O-N 3.16Å
584	L	92.7	Very high	94.4	Very high	113 Å²	113	53.6 Å²	53.6	59%	0.592	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	10	177.6	-70.1	169.4	0	0	0	113.2	F582 S690	F582-L584 PolarHBondContact O-N 2.94Å; F582-L584 VanDerWaalsContact O-N 3.09Å; L584-S690 WeakPolarHBondContact CD1-OG 3.15Å
585	A	94.4	Very high	94.5	Very high	18 Å²	18	53 Å²	53	15%	0.149	27%	0.272	C	S	.	.			trans	-72.4	141.6	173	0	0	0	0	0	110.7	F582 C589 L590 F687	F582-A585 VanDerWaalsContact O-CB 3.28Å; F582-A585 WeakPolarHBondContact O-CB 3.28Å; F582-A585 PolarHBondContact O-N 3.4Å; A585-C589 HydrophobicContact CB-CB 4.4Å; A585-L590 HydrophobicContact CB-CD2 3.6Å; A585-L590 HydrophobicContact CB-CG 3.73Å; A585-F687 HydrophobicContact CB-CD2 3.98Å; A585-F687 HydrophobicContact CB-CE2 3.57Å; A585-F687 HydrophobicContact CB-CZ 4Å
586	S	95.3	Very high	94.5	Very high	62 Å²	62	57.5 Å²	57.5	43%	0.434	29%	0.293	S	S	.	.			trans	-72.6	156.4	166.7	62.8	0	0	0	0	110.5	G588 C589 L590	S586-G588 VanDerWaalsContact C-N 3.31Å; S586-G588 PolarHBondContact O-N 3.48Å; S586-C589 CarbonylContact O-C 3.51Å; S586-C589 WeakPolarHBondContact O-CA 3.33Å; S586-C589 VanDerWaalsContact O-CB 3.31Å; S586-C589 WeakPolarHBondContact O-CB 3.36Å; S586-C589 PolarHBondContact O-N 3.46Å; S586-C589 WeakPolarHBondContact OG-CB 3.41Å; S586-C589 PolarHBondContact OG-N 3.44Å; S586-L590 PolarHBondContact O-N 3Å
587	D	93.7	Very high	94.5	Very high	96 Å²	96	57.5 Å²	57.5	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-56.2	-43.5	178.3	178.4	73.1	0	0	0	112.6	C589 L590 R591	D587-C589 PolarHBondContact O-N 3.49Å; D587-L590 PolarHBondContact O-N 2.91Å; D587-R591 WeakPolarHBondContact O-CB 3.27Å; D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 2.87Å; D587-R591 VanDerWaalsContact OD2-CD 3.26Å; D587-R591 WeakPolarHBondContact OD2-CD 3.43Å; D587-R591 IonicContact OD2-CZ 3.89Å; D587-R591 IonicContact OD2-NE 2.78Å; D587-R591 PolarHBondContact OD2-NE 3.3Å
588	G	94.4	Very high	94.5	Very high	33 Å²	33	54.1 Å²	54.1	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-29.6	173.2	0	0	0	0	0	114.1	S586 A592 Y684	S586-G588 VanDerWaalsContact C-N 3.31Å; S586-G588 PolarHBondContact O-N 3.48Å; G588-A592 WeakPolarHBondContact O-CB 3.29Å; G588-A592 PolarHBondContact O-N 2.96Å; G588-A592 VanDerWaalsContact O-N 3.1Å; G588-Y684 PolarHBondContact O-OH 3.48Å
589	C	96.1	Very high	94.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-75.7	-43.9	173.7	-173.2	0	0	0	0	111.4	A585 S586 D587 R591 A592 L593 Y684 F687	A585-C589 HydrophobicContact CB-CB 4.4Å; S586-C589 CarbonylContact O-C 3.51Å; S586-C589 WeakPolarHBondContact O-CA 3.33Å; S586-C589 VanDerWaalsContact O-CB 3.31Å; S586-C589 WeakPolarHBondContact O-CB 3.36Å; S586-C589 PolarHBondContact O-N 3.46Å; S586-C589 WeakPolarHBondContact OG-CB 3.41Å; S586-C589 PolarHBondContact OG-N 3.44Å; D587-C589 PolarHBondContact O-N 3.49Å; C589-R591 PolarHBondContact O-N 3.14Å; C589-A592 PolarHBondContact O-N 3.34Å; C589-L593 WeakPolarHBondContact O-CB 3.31Å; C589-L593 WeakPolarHBondContact O-CG 3.4Å; C589-L593 PolarHBondContact O-N 3.05Å; C589-Y684 HydrophobicContact CB-CD1 4.15Å; C589-Y684 HydrophobicContact CB-CD2 3.82Å; C589-Y684 HydrophobicContact CB-CE1 4.18Å; C589-Y684 HydrophobicContact CB-CE2 3.85Å; C589-Y684 HydrophobicContact CB-CG 3.98Å; C589-Y684 VanDerWaalsContact SG-CD2 3.56Å; C589-F687 WeakPolarHBondContact SG-CD1 3.37Å
590	L	96.3	Very high	94.2	Very high	31 Å²	31	55.2 Å²	55.2	16%	0.162	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-45.9	173.2	-68.5	176.2	0	0	0	111.6	F576 F582 A585 S586 D587 A592 L593 A594	F576-L590 HydrophobicContact CB-CD2 4.1Å; F576-L590 HydrophobicContact CD1-CD2 3.65Å; F576-L590 HydrophobicContact CD2-CD2 4.25Å; F576-L590 HydrophobicContact CE1-CD2 4.07Å; F576-L590 HydrophobicContact CG-CD2 3.76Å; F582-L590 HydrophobicContact CB-CD2 4.22Å; A585-L590 HydrophobicContact CB-CD2 3.6Å; A585-L590 HydrophobicContact CB-CG 3.73Å; S586-L590 PolarHBondContact O-N 3Å; D587-L590 PolarHBondContact O-N 2.91Å; L590-A592 VanDerWaalsContact C-N 3.34Å; L590-A592 PolarHBondContact O-N 2.91Å; L590-L593 PolarHBondContact O-N 3.14Å; L590-A594 WeakPolarHBondContact O-CB 3.07Å; L590-A594 PolarHBondContact O-N 3.39Å
591	R	95.8	Very high	94	Very high	59 Å²	59	55.4 Å²	55.4	22%	0.223	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-38.8	175.1	-74.9	172.7	159.6	-141	-8.2	112.6	D562 A565 D566 V569 D587 C589 M595	D562-R591 IonicContact OD1-CZ 2.65Å; D562-R591 IonicContact OD1-NH1 2.73Å; D562-R591 PolarHBondContact OD1-NH1 3.49Å; D562-R591 IonicContact OD1-NH2 2.66Å; A565-R591 HydrophobicContact CB-CB 4.19Å; A565-R591 HydrophobicContact CB-CG 4.25Å; D566-R591 IonicContact OD1-CZ 3.92Å; D566-R591 IonicContact OD1-NE 2.69Å; D566-R591 PolarHBondContact OD1-NE 2.6Å; D566-R591 IonicContact OD1-NH2 2.93Å; D566-R591 PolarHBondContact OD1-NH2 2.98Å; D566-R591 IonicContact OD2-CZ 3.9Å; D566-R591 IonicContact OD2-NH2 2.75Å; D566-R591 PolarHBondContact OD2-NH2 3.34Å; V569-R591 HydrophobicContact CG2-CG 3.99Å; D587-R591 WeakPolarHBondContact O-CB 3.27Å; D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 2.87Å; D587-R591 VanDerWaalsContact OD2-CD 3.26Å; D587-R591 WeakPolarHBondContact OD2-CD 3.43Å; D587-R591 IonicContact OD2-CZ 3.89Å; D587-R591 IonicContact OD2-NE 2.78Å; D587-R591 PolarHBondContact OD2-NE 3.3Å; C589-R591 PolarHBondContact O-N 3.14Å; R591-M595 WeakPolarHBondContact O-CG 3.49Å; R591-M595 PolarHBondContact O-N 3.5Å
592	A	95.9	Very high	93.8	Very high	32 Å²	32	56 Å²	56	26%	0.264	29%	0.29	S	S	.	.	H	α-helix	trans	-68.9	-46	175.6	0	0	0	0	0	112.4	G588 C589 L590 V680 Y684	G588-A592 WeakPolarHBondContact O-CB 3.29Å; G588-A592 PolarHBondContact O-N 2.96Å; G588-A592 VanDerWaalsContact O-N 3.1Å; C589-A592 PolarHBondContact O-N 3.34Å; L590-A592 VanDerWaalsContact C-N 3.34Å; L590-A592 PolarHBondContact O-N 2.91Å; A592-V680 HydrophobicContact CB-CG1 4.18Å; A592-V680 HydrophobicContact CB-CG2 4.39Å; A592-Y684 HydrophobicContact CB-CE2 3.93Å
593	L	96.3	Very high	93.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-46.9	174.7	-71.5	167.3	0	0	0	111.4	F576 F582 C589 L590 M595 E596 F597 I672 L677 V680 F687	F576-L593 HydrophobicContact CE1-CB 4.13Å; F576-L593 HydrophobicContact CE1-CD1 4.33Å; F576-L593 HydrophobicContact CZ-CB 4.05Å; F582-L593 HydrophobicContact CD1-CD1 3.81Å; F582-L593 HydrophobicContact CE1-CD1 3.73Å; C589-L593 WeakPolarHBondContact O-CB 3.31Å; C589-L593 WeakPolarHBondContact O-CG 3.4Å; C589-L593 PolarHBondContact O-N 3.05Å; L590-L593 PolarHBondContact O-N 3.14Å; L593-M595 PolarHBondContact O-N 3.15Å; L593-E596 PolarHBondContact O-N 3.44Å; L593-F597 HydrophobicContact CB-CD2 4.29Å; L593-F597 HydrophobicContact CB-CE2 4.25Å; L593-F597 WeakPolarHBondContact O-CD2 3.27Å; L593-F597 PolarHBondContact O-N 3.17Å; L593-F597 VanDerWaalsContact O-N 3.1Å; L593-I672 HydrophobicContact CD2-CD1 3.96Å; L593-L677 HydrophobicContact CD2-CD1 3.9Å; L593-V680 HydrophobicContact CD2-CB 4.21Å; L593-V680 HydrophobicContact CD2-CG1 3.74Å; L593-V680 HydrophobicContact CG-CG1 3.89Å; L593-F687 HydrophobicContact CD1-CE1 4.17Å; L593-F687 HydrophobicContact CD1-CZ 4.47Å
594	A	95.8	Very high	93.4	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-33.6	-175.3	0	0	0	0	0	113.3	C568 V569 N572 F576 L590 E596	C568-A594 HydrophobicContact CB-CB 3.82Å; C568-A594 WeakPolarHBondContact CB-O 3.38Å; V569-A594 HydrophobicContact CB-CB 4.38Å; V569-A594 HydrophobicContact CG2-CB 3.56Å; N572-A594 PolarHBondContact ND2-O 3.08Å; F576-A594 HydrophobicContact CE2-CB 3.83Å; F576-A594 HydrophobicContact CZ-CB 3.98Å; L590-A594 WeakPolarHBondContact O-CB 3.07Å; L590-A594 PolarHBondContact O-N 3.39Å; A594-E596 PolarHBondContact O-N 2.89Å
595	M	93.9	Very high	93.2	Very high	66 Å²	66	45.4 Å²	45.4	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-67.9	-22.5	176.2	-79.7	-62.1	-30.4	0	0	113.8	R564 A565 R591 L593	R564-M595 HydrophobicContact CB-SD 4.47Å; R564-M595 HydrophobicContact CG-CE 4.19Å; R564-M595 HydrophobicContact CG-SD 3.78Å; A565-M595 HydrophobicContact CB-CG 4.34Å; A565-M595 HydrophobicContact CB-SD 4.38Å; R591-M595 WeakPolarHBondContact O-CG 3.49Å; R591-M595 PolarHBondContact O-N 3.5Å; L593-M595 PolarHBondContact O-N 3.15Å
596	E	95.4	Very high	93	Very high	94 Å²	94	45.5 Å²	45.5	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-105.2	-7.6	-177.8	-56.3	-67	148	0	0	112.6	L593 A594 I672 A676	L593-E596 PolarHBondContact O-N 3.44Å; A594-E596 PolarHBondContact O-N 2.89Å; E596-I672 HydrophobicContact CB-CD1 4.16Å; E596-I672 HydrophobicContact CB-CG1 4.32Å; E596-A676 HydrophobicContact CB-CB 3.81Å; E596-A676 HydrophobicContact CG-CB 3.92Å; E596-A676 VanDerWaalsContact OE2-CB 3.29Å; E596-A676 WeakPolarHBondContact OE2-CB 3.24Å
597	F	94.9	Very high	92.8	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.3	174.6	-98.9	-73.7	0	0	0	111.3	N572 V575 F576 F582 L593 F620 H670 V671 I672	N572-F597 WeakPolarHBondContact ND2-CB 3.28Å; N572-F597 VanDerWaalsContact OD1-CB 3.32Å; N572-F597 WeakPolarHBondContact OD1-CB 3.35Å; V575-F597 HydrophobicContact CG1-CE1 4.46Å; V575-F597 HydrophobicContact CG1-CZ 4.07Å; F576-F597 HydrophobicContact CE1-CD2 4.15Å; F576-F597 AromaticContact CE1-CE2 3.78Å; F576-F597 HydrophobicContact CE1-CE2 3.78Å; F576-F597 AromaticContact CZ-CD2 3.97Å; F576-F597 HydrophobicContact CZ-CD2 3.97Å; F576-F597 HydrophobicContact CZ-CE2 4.09Å; F582-F597 HydrophobicContact CZ-CE2 4.46Å; F582-F597 HydrophobicContact CZ-CZ 4.22Å; L593-F597 HydrophobicContact CB-CD2 4.29Å; L593-F597 HydrophobicContact CB-CE2 4.25Å; L593-F597 WeakPolarHBondContact O-CD2 3.27Å; L593-F597 PolarHBondContact O-N 3.17Å; L593-F597 VanDerWaalsContact O-N 3.1Å; F597-F620 AromaticContact CE1-CD2 3.69Å; F597-F620 HydrophobicContact CE1-CD2 3.69Å; F597-F620 AromaticContact CE1-CE2 3.82Å; F597-F620 HydrophobicContact CE1-CE2 3.82Å; F597-F620 AromaticContact CZ-CD2 3.96Å; F597-F620 HydrophobicContact CZ-CD2 3.96Å; F597-F620 AromaticContact CZ-CE2 3.67Å; F597-F620 HydrophobicContact CZ-CE2 3.67Å; F597-F620 HydrophobicContact CZ-CZ 4.39Å; F597-H670 HydrophobicContact CD1-CB 4.16Å; F597-H670 HydrophobicContact CE1-CB 4.3Å; F597-V671 WeakPolarHBondContact CD1-O 3.3Å; F597-I672 HydrophobicContact CD1-CB 3.93Å; F597-I672 HydrophobicContact CD2-CB 4.49Å; F597-I672 HydrophobicContact CD2-CD1 4.08Å; F597-I672 HydrophobicContact CE1-CB 3.84Å; F597-I672 HydrophobicContact CE1-CG2 3.95Å; F597-I672 HydrophobicContact CE2-CB 4.4Å; F597-I672 HydrophobicContact CE2-CD1 4.04Å; F597-I672 HydrophobicContact CG-CB 4.26Å; F597-I672 HydrophobicContact CZ-CB 4.08Å; F597-I672 HydrophobicContact CZ-CD1 4.49Å; F597-I672 HydrophobicContact CZ-CG2 3.94Å
598	Q	92.4	Very high	92.8	Very high	108 Å²	108	42.5 Å²	42.5	51%	0.505	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.5	175.8	-63.2	172.8	-6.8	0	0	109.4	H670 V671	Q598-H670 WeakPolarHBondContact O-CA 3.47Å; Q598-V671 HydrophobicContact CB-CG2 3.89Å; Q598-V671 PolarHBondContact N-O 3.2Å; Q598-V671 PolarHBondContact O-N 3.36Å
599	T	90.6	Very high	92.9	Very high	59 Å²	59	41.3 Å²	41.3	36%	0.362	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.8	172	-51.3	0	0	0	0	108.9	L669 H670	T599-L669 WeakPolarHBondContact CA-O 3.2Å; T599-H670 PolarHBondContact OG1-CE1 2.94Å
600	V	90.9	Very high	92.9	Very high	56 Å²	56	45.8 Å²	45.8	34%	0.339	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.1	-178.8	179.4	0	0	0	0	108	L669 V671	V600-L669 HydrophobicContact CB-CB 4.44Å; V600-L669 PolarHBondContact N-O 3.47Å; V600-L669 PolarHBondContact O-N 3.29Å; V600-V671 HydrophobicContact CG2-CG1 4.24Å; V600-V671 HydrophobicContact CG2-CG2 3.79Å
601	H	89	Confident	92.8	Very high	91 Å²	91	47.1 Å²	47.1	42%	0.421	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.6	175.6	-56.2	-76	0	0	0	109	C667 D668	H601-C667 WeakPolarHBondContact CA-O 3.38Å; H601-D668 IonicContact CE1-OD1 3.59Å; H601-D668 PolarHBondContact CE1-OD1 3.02Å; H601-D668 IonicContact CG-OD1 3.24Å; H601-D668 IonicContact ND1-OD1 3.71Å; H601-D668 PolarHBondContact ND1-OD1 3.3Å
602	C	89.6	Confident	92.6	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.088	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.6	178.7	-54.3	0	0	0	0	110.1	D606 I608 A663 Y666 C667	C602-D606 HydrophobicContact CB-CB 4.3Å; C602-I608 HydrophobicContact CB-CD1 4.44Å; C602-A663 HydrophobicContact CB-CB 4.08Å; C602-Y666 CarbonylContact O-C 3.48Å; C602-Y666 VanDerWaalsContact O-CA 3.3Å; C602-Y666 WeakPolarHBondContact O-CA 3.43Å; C602-C667 HydrophobicContact CB-CB 4.41Å; C602-C667 PolarHBondContact N-O 3.41Å; C602-C667 PolarHBondContact O-N 2.82Å
603	A	88.7	Confident	92.6	Very high	18 Å²	18	48.7 Å²	48.7	15%	0.149	28%	0.279	C	S	.	.			trans	-90.2	160.6	175.2	0	0	0	0	0	111.8	G605 D606 A663 Y666	A603-G605 PolarHBondContact O-N 3.03Å; A603-D606 WeakPolarHBondContact CB-OD2 3.36Å; A603-D606 PolarHBondContact N-OD2 3.22Å; A603-D606 VanDerWaalsContact O-CB 3.3Å; A603-D606 WeakPolarHBondContact O-CB 3.12Å; A603-D606 PolarHBondContact O-N 3.48Å; A603-A663 WeakPolarHBondContact O-CB 3.42Å; A603-Y666 HydrophobicContact CB-CD1 4.23Å; A603-Y666 HydrophobicContact CB-CE1 3.84Å
604	P	90	Very high	92.5	Very high	64 Å²	64	51.2 Å²	51.2	42%	0.416	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	129.5	173.7	-24.3	32.3	0	0	0	112.2	D606 Y666	P604-D606 VanDerWaalsContact C-N 3.33Å; P604-Y666 HydrophobicContact CG-CD2 4.07Å; P604-Y666 HydrophobicContact CG-CE2 3.97Å; P604-Y666 HydrophobicContact CG-CG 4.45Å
605	G	88	Confident	92.4	Very high	37 Å²	37	51.2 Å²	51.2	38%	0.381	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-6.7	-177.4	0	0	0	0	0	115.4	A603 A663	A603-G605 PolarHBondContact O-N 3.03Å; G605-A663 PolarHBondContact N-O 3.12Å
606	D	89.4	Confident	92.4	Very high	20 Å²	20	50.6 Å²	50.6	11%	0.107	30%	0.295	C	S	.	.			trans	-65.7	142.3	174.4	-80	-28.2	0	0	0	112	R535 C602 A603 P604 I608 R662 A663	R535-D606 IonicContact CZ-OD1 2.6Å; R535-D606 IonicContact NE-OD1 2.64Å; R535-D606 PolarHBondContact NE-OD1 3.2Å; R535-D606 IonicContact NH2-OD1 2.64Å; R535-D606 PolarHBondContact NH2-OD1 2.81Å; C602-D606 HydrophobicContact CB-CB 4.3Å; A603-D606 WeakPolarHBondContact CB-OD2 3.36Å; A603-D606 PolarHBondContact N-OD2 3.22Å; A603-D606 VanDerWaalsContact O-CB 3.3Å; A603-D606 WeakPolarHBondContact O-CB 3.12Å; A603-D606 PolarHBondContact O-N 3.48Å; P604-D606 VanDerWaalsContact C-N 3.33Å; D606-I608 WeakPolarHBondContact O-CD1 3.39Å; D606-R662 CarbonylContact O-C 3.54Å; D606-R662 VanDerWaalsContact O-CA 3.24Å; D606-R662 WeakPolarHBondContact O-CA 3.46Å; D606-R662 WeakPolarHBondContact O-CG 3.47Å; D606-A663 PolarHBondContact O-N 3.35Å
607	L	91.7	Very high	92.5	Very high	58 Å²	58	46.4 Å²	46.4	30%	0.304	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.2	172.4	-74.3	163.2	0	0	0	109.2	N660 V661 R662	L607-N660 HydrophobicContact CD2-CB 3.96Å; L607-V661 CarbonylContact C-O 3.55Å; L607-V661 WeakPolarHBondContact CA-O 3.34Å; L607-R662 HydrophobicContact CD2-CB 3.79Å; L607-R662 HydrophobicContact CD2-CG 4.22Å
608	I	94.4	Very high	92.5	Very high	36 Å²	36	45.6 Å²	45.6	19%	0.185	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-36.6	-177.8	-61.2	74.3	0	0	0	110.6	C602 D606 L626 F644 V661 A663 L669	C602-I608 HydrophobicContact CB-CD1 4.44Å; D606-I608 WeakPolarHBondContact O-CD1 3.39Å; I608-L626 HydrophobicContact CD1-CD2 3.75Å; I608-L626 HydrophobicContact CG1-CD2 4.15Å; I608-F644 HydrophobicContact CG2-CZ 4.4Å; I608-V661 PolarHBondContact N-O 3Å; I608-A663 HydrophobicContact CD1-CB 4.07Å; I608-L669 HydrophobicContact CG1-CD1 3.89Å; I608-L669 HydrophobicContact CG2-CD1 4Å
609	Y	95.8	Very high	92.7	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.8	173.4	-86.1	-65	0	0	0	109.5	E613 D616 S617 F644 N660 V661 L701	Y609-E613 WeakPolarHBondContact CA-OE2 3.49Å; Y609-E613 HydrophobicContact CD1-CG 4.26Å; Y609-D616 PolarHBondContact OH-OD1 2.98Å; Y609-S617 PolarHBondContact OH-N 2.91Å; Y609-S617 PolarHBondContact OH-OG 3.48Å; Y609-F644 HydrophobicContact CD2-CE2 4.19Å; Y609-N660 CarbonylContact O-C 3.52Å; Y609-N660 VanDerWaalsContact O-CA 3.31Å; Y609-N660 WeakPolarHBondContact O-CA 3.46Å; Y609-V661 PolarHBondContact O-N 3.14Å; Y609-L701 HydrophobicContact CD2-CD1 3.63Å; Y609-L701 HydrophobicContact CE2-CD1 4.14Å; Y609-L701 HydrophobicContact CG-CD1 4.03Å
610	H	95.4	Very high	93	Very high	94 Å²	94	37.7 Å²	37.7	44%	0.435	23%	0.231	S	C	.	.			trans	-101.6	148.2	173.5	-68.8	-88.8	0	0	0	111.8	G612 E613 S657 N660	H610-G612 PolarHBondContact O-N 3.38Å; H610-E613 HydrophobicContact CB-CB 4.28Å; H610-E613 IonicContact CD2-OE2 2.6Å; H610-E613 PolarHBondContact N-OE2 2.86Å; H610-E613 WeakPolarHBondContact O-CB 3.41Å; H610-E613 PolarHBondContact O-N 3.48Å; H610-S657 WeakPolarHBondContact O-CB 3.34Å; H610-N660 WeakPolarHBondContact CA-OD1 3.44Å
611	A	94.9	Very high	93.3	Very high	59 Å²	59	35 Å²	35	49%	0.488	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	126.5	172.1	0	0	0	0	0	110.6	S657 N660	A611-S657 WeakPolarHBondContact CA-O 3.24Å; A611-N660 PolarHBondContact N-OD1 3.44Å
612	G	92.1	Very high	93.6	Very high	42 Å²	42	31.3 Å²	31.3	43%	0.433	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-13.4	-172.7	0	0	0	0	0	115.2	H610 Q656 S657	H610-G612 PolarHBondContact O-N 3.38Å; G612-Q656 WeakPolarHBondContact O-CG 3.21Å; G612-S657 PolarHBondContact N-O 3.21Å
613	E	94.6	Very high	93.8	Very high	82 Å²	82	33.1 Å²	33.1	38%	0.383	21%	0.212	S	C	.	.			trans	-72.2	151.8	-179.7	-171.1	171.8	-168.1	0	0	112.8	Y609 H610 V615 Q656 S657	Y609-E613 WeakPolarHBondContact CA-OE2 3.49Å; Y609-E613 HydrophobicContact CD1-CG 4.26Å; H610-E613 HydrophobicContact CB-CB 4.28Å; H610-E613 IonicContact CD2-OE2 2.6Å; H610-E613 PolarHBondContact N-OE2 2.86Å; H610-E613 WeakPolarHBondContact O-CB 3.41Å; H610-E613 PolarHBondContact O-N 3.48Å; E613-V615 PolarHBondContact O-N 2.88Å; E613-Q656 CarbonylContact O-C 3.56Å; E613-Q656 VanDerWaalsContact O-CA 3.3Å; E613-Q656 WeakPolarHBondContact O-CA 3.25Å; E613-S657 PolarHBondContact O-N 3.04Å
614	S	94.4	Very high	94.1	Very high	52 Å²	52	33.4 Å²	33.4	36%	0.364	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-71.5	118.7	177.1	179.3	0	0	0	0	111.6	D616	S614-D616 PolarHBondContact O-N 3.32Å
615	V	95	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.208	C	C	.	.			trans	-77	90.6	173.9	-172.8	0	0	0	0	108.8	E613 D646 F648 A655 L701	E613-V615 PolarHBondContact O-N 2.88Å; V615-D646 HydrophobicContact CB-CB 4.47Å; V615-D646 HydrophobicContact CG1-CB 3.82Å; V615-F648 HydrophobicContact CG1-CZ 4.41Å; V615-F648 VanDerWaalsContact O-CE1 3.31Å; V615-F648 WeakPolarHBondContact O-CE1 3.37Å; V615-A655 PolarHBondContact N-O 3.4Å; V615-L701 HydrophobicContact CG1-CB 4.41Å; V615-L701 HydrophobicContact CG1-CD1 4.17Å; V615-L701 HydrophobicContact CG2-CB 3.73Å; V615-L701 HydrophobicContact CG2-CD1 4.06Å
616	D	94.2	Very high	94.9	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	19%	0.19	S	C	.	.			trans	-104.3	-3	-175.1	85.5	-28.6	0	0	0	114.4	Y609 S614 L654 K673 R674	Y609-D616 PolarHBondContact OH-OD1 2.98Å; S614-D616 PolarHBondContact O-N 3.32Å; D616-L654 HydrophobicContact CB-CD2 4.5Å; D616-K673 IonicContact OD1-NZ 3.4Å; D616-K673 PolarHBondContact OD1-NZ 3.29Å; D616-K673 WeakPolarHBondContact OD2-CD 3.37Å; D616-K673 IonicContact OD2-NZ 2.86Å; D616-K673 PolarHBondContact OD2-NZ 2.9Å; D616-R674 VanDerWaalsContact O-CB 3.28Å; D616-R674 WeakPolarHBondContact O-CB 3.44Å; D616-R674 PolarHBondContact O-N 3.48Å
617	S	95.5	Very high	95.3	Very high	6 Å²	6	30 Å²	30	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.7	-177	86.6	0	0	0	0	112.7	Y609 I672	Y609-S617 PolarHBondContact OH-N 2.91Å; Y609-S617 PolarHBondContact OH-OG 3.48Å; S617-I672 WeakPolarHBondContact CA-O 3.35Å
618	L	95.4	Very high	95.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.3	176.2	176.5	68.6	0	0	0	108.2	F620 V643 F648 W649 V671 I672 L677 F691 L695 L697	L618-F620 HydrophobicContact CD2-CE2 3.61Å; L618-F620 HydrophobicContact CD2-CZ 3.58Å; L618-F620 HydrophobicContact CG-CD2 4.45Å; L618-F620 HydrophobicContact CG-CE2 3.67Å; L618-F620 HydrophobicContact CG-CZ 4Å; L618-V643 HydrophobicContact CD1-CG1 3.66Å; L618-V643 HydrophobicContact CG-CG1 4.19Å; L618-F648 HydrophobicContact CB-CE2 3.97Å; L618-W649 HydrophobicContact CD2-CZ3 4.34Å; L618-V671 WeakPolarHBondContact O-CA 3.34Å; L618-I672 HydrophobicContact CB-CG2 4.02Å; L618-I672 HydrophobicContact CD2-CG2 4.32Å; L618-I672 PolarHBondContact N-O 3.26Å; L618-I672 PolarHBondContact O-N 3.43Å; L618-L677 HydrophobicContact CD2-CD2 3.73Å; L618-F691 HydrophobicContact CD2-CZ 4.31Å; L618-L695 HydrophobicContact CD2-CD2 3.86Å; L618-L697 HydrophobicContact CD1-CD2 3.49Å; L618-L697 VanDerWaalsContact CD1-CD2 3.49Å
619	C	96.9	Very high	95.7	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	-170.9	-61.8	0	0	0	0	111.3	V643 F644 V671	C619-V643 WeakPolarHBondContact O-CA 3.13Å; C619-V643 WeakPolarHBondContact O-CG1 3.42Å; C619-F644 HydrophobicContact CB-CD1 3.82Å; C619-F644 HydrophobicContact CB-CD2 4.18Å; C619-F644 HydrophobicContact CB-CE1 3.4Å; C619-F644 VanDerWaalsContact CB-CE1 3.4Å; C619-F644 HydrophobicContact CB-CE2 3.8Å; C619-F644 HydrophobicContact CB-CG 4.2Å; C619-F644 HydrophobicContact CB-CZ 3.4Å; C619-F644 PolarHBondContact N-O 3.29Å; C619-F644 PolarHBondContact O-N 2.9Å; C619-V671 HydrophobicContact CB-CG1 4.24Å; C619-V671 VanDerWaalsContact SG-CG1 3.57Å
620	F	97.5	Very high	95.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.1	175.7	-61.4	-99.9	0	0	0	109.3	V575 H579 F582 F597 L618 V622 V643 H670 I672 L695	V575-F620 HydrophobicContact CG1-CB 4.32Å; V575-F620 HydrophobicContact CG1-CD1 3.83Å; V575-F620 HydrophobicContact CG1-CD2 4.32Å; V575-F620 HydrophobicContact CG1-CE1 4.2Å; V575-F620 HydrophobicContact CG1-CG 3.91Å; V575-F620 HydrophobicContact CG2-CB 4.01Å; V575-F620 HydrophobicContact CG2-CG 4.45Å; H579-F620 AromaticContact CD2-CD1 3.91Å; H579-F620 AromaticContact CE1-CD1 3.77Å; H579-F620 AromaticContact NE2-CD1 3.66Å; F582-F620 HydrophobicContact CE2-CD1 4.39Å; F582-F620 AromaticContact CE2-CE1 3.64Å; F582-F620 HydrophobicContact CE2-CE1 3.64Å; F582-F620 AromaticContact CE2-CZ 3.84Å; F582-F620 HydrophobicContact CE2-CZ 3.84Å; F582-F620 AromaticContact CZ-CE1 3.97Å; F582-F620 HydrophobicContact CZ-CE1 3.97Å; F582-F620 HydrophobicContact CZ-CE2 4.41Å; F582-F620 AromaticContact CZ-CZ 3.65Å; F582-F620 HydrophobicContact CZ-CZ 3.65Å; F597-F620 AromaticContact CE1-CD2 3.69Å; F597-F620 HydrophobicContact CE1-CD2 3.69Å; F597-F620 AromaticContact CE1-CE2 3.82Å; F597-F620 HydrophobicContact CE1-CE2 3.82Å; F597-F620 AromaticContact CZ-CD2 3.96Å; F597-F620 HydrophobicContact CZ-CD2 3.96Å; F597-F620 AromaticContact CZ-CE2 3.67Å; F597-F620 HydrophobicContact CZ-CE2 3.67Å; F597-F620 HydrophobicContact CZ-CZ 4.39Å; L618-F620 HydrophobicContact CD2-CE2 3.61Å; L618-F620 HydrophobicContact CD2-CZ 3.58Å; L618-F620 HydrophobicContact CG-CD2 4.45Å; L618-F620 HydrophobicContact CG-CE2 3.67Å; L618-F620 HydrophobicContact CG-CZ 4Å; F620-V622 PolarHBondContact O-N 3.39Å; F620-V643 HydrophobicContact CD1-CB 4.31Å; F620-V643 HydrophobicContact CD1-CG1 3.83Å; F620-V643 HydrophobicContact CD1-CG2 3.51Å; F620-V643 HydrophobicContact CE1-CB 4.44Å; F620-V643 HydrophobicContact CE1-CG1 3.74Å; F620-V643 HydrophobicContact CE1-CG2 3.76Å; F620-V643 HydrophobicContact CE2-CG1 4.49Å; F620-V643 HydrophobicContact CG-CG1 4.24Å; F620-V643 HydrophobicContact CG-CG2 4.42Å; F620-V643 HydrophobicContact CZ-CG1 4.09Å; F620-H670 HydrophobicContact CB-CB 4.42Å; F620-H670 WeakPolarHBondContact CD2-O 3.15Å; F620-H670 PolarHBondContact N-O 3.42Å; F620-H670 PolarHBondContact O-N 3.12Å; F620-I672 HydrophobicContact CE2-CG2 4.26Å; F620-L695 HydrophobicContact CE1-CD1 4.12Å; F620-L695 HydrophobicContact CZ-CD2 4.29Å
621	V	97.1	Very high	95.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	104	-177.2	-174	0	0	0	0	109.7	L626 G639 G641 D642 F644 L669	V621-L626 HydrophobicContact CB-CD1 4.47Å; V621-L626 HydrophobicContact CG1-CD1 3.7Å; V621-L626 HydrophobicContact CG2-CD1 3.85Å; V621-G639 VanDerWaalsContact CB-O 3.26Å; V621-G639 WeakPolarHBondContact CB-O 3.26Å; V621-G639 VanDerWaalsContact CG1-O 3.27Å; V621-G639 WeakPolarHBondContact CG1-O 3.49Å; V621-G641 PolarHBondContact O-N 3.16Å; V621-D642 HydrophobicContact CG2-CB 4.49Å; V621-D642 PolarHBondContact N-O 2.98Å; V621-F644 HydrophobicContact CG2-CD1 3.99Å; V621-F644 HydrophobicContact CG2-CE1 3.76Å; V621-L669 HydrophobicContact CB-CD2 4.25Å; V621-L669 HydrophobicContact CG1-CD2 4.31Å; V621-L669 HydrophobicContact CG2-CD2 3.87Å
622	V	94.6	Very high	95.4	Very high	14 Å²	14	29.1 Å²	29.1	9%	0.085	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-29.1	-177.7	167.1	0	0	0	0	112.4	K574 V575 F620 K640 D668 H670	K574-V622 HydrophobicContact CB-CB 4.4Å; K574-V622 HydrophobicContact CB-CG1 3.55Å; K574-V622 HydrophobicContact CB-CG2 3.92Å; K574-V622 HydrophobicContact CD-CG1 4.06Å; K574-V622 HydrophobicContact CG-CG1 3.63Å; V575-V622 HydrophobicContact CG2-CG2 3.74Å; F620-V622 PolarHBondContact O-N 3.39Å; V622-K640 WeakPolarHBondContact O-CD 3.49Å; V622-K640 VanDerWaalsContact O-CE 3.27Å; V622-K640 WeakPolarHBondContact O-CE 3.16Å; V622-K640 WeakPolarHBondContact O-CG 3.38Å; V622-D668 PolarHBondContact N-O 2.93Å; V622-H670 HydrophobicContact CG2-CB 4.37Å; V622-H670 WeakPolarHBondContact CG2-CD2 3.34Å
623	S	94.1	Very high	95.6	Very high	50 Å²	50	31 Å²	31	35%	0.35	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.1	177.1	-161.7	0	0	0	0	111.3	C667 D668	S623-C667 WeakPolarHBondContact O-CA 3.37Å; S623-D668 WeakPolarHBondContact CB-OD2 3.49Å; S623-D668 PolarHBondContact N-O 3.29Å; S623-D668 PolarHBondContact O-N 2.98Å
624	G	94.4	Very high	95.6	Very high	24 Å²	24	30.7 Å²	30.7	25%	0.247	18%	0.181	C	C	.	.	S	Bend	trans	82.1	-169	-179	0	0	0	0	0	114.6	T665 Y666	G624-T665 WeakPolarHBondContact CA-OG1 3.36Å; G624-Y666 WeakPolarHBondContact CA-O 3.47Å
625	S	96.9	Very high	95.7	Very high	34 Å²	34	30.2 Å²	30.2	24%	0.238	18%	0.176	C	C	.	.			trans	-139.6	148.8	173.4	60.1	0	0	0	0	113	L638 L664 T665 C667	S625-L638 CarbonylContact C-O 3.58Å; S625-L638 WeakPolarHBondContact CA-O 3.4Å; S625-L638 WeakPolarHBondContact CB-O 3.26Å; S625-L664 WeakPolarHBondContact O-CB 3.41Å; S625-L664 PolarHBondContact O-N 2.81Å; S625-T665 PolarHBondContact N-OG1 3.48Å; S625-T665 PolarHBondContact O-N 2.87Å; S625-C667 PolarHBondContact N-SG 3.03Å; S625-C667 PolarHBondContact O-SG 3.26Å
626	L	97.9	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	164.8	-177.8	-61	91	0	0	0	110.3	I608 V621 I637 L638 F644 V661 R662 C667 L669	I608-L626 HydrophobicContact CD1-CD2 3.75Å; I608-L626 HydrophobicContact CG1-CD2 4.15Å; V621-L626 HydrophobicContact CB-CD1 4.47Å; V621-L626 HydrophobicContact CG1-CD1 3.7Å; V621-L626 HydrophobicContact CG2-CD1 3.85Å; L626-I637 CarbonylContact O-C 3.46Å; L626-I637 WeakPolarHBondContact O-CA 3.4Å; L626-L638 HydrophobicContact CB-CD1 4.35Å; L626-L638 PolarHBondContact N-O 3.37Å; L626-L638 PolarHBondContact O-N 3.18Å; L626-F644 HydrophobicContact CD2-CE1 4.4Å; L626-F644 HydrophobicContact CD2-CZ 4.19Å; L626-V661 HydrophobicContact CB-CG1 4.49Å; L626-V661 HydrophobicContact CD2-CG1 3.96Å; L626-R662 CarbonylContact C-O 3.52Å; L626-R662 WeakPolarHBondContact CA-O 3.3Å; L626-R662 WeakPolarHBondContact CB-O 3.43Å; L626-C667 HydrophobicContact CD1-CB 4.25Å; L626-L669 HydrophobicContact CD1-CD2 4.07Å; L626-L669 HydrophobicContact CD2-CD1 4.27Å; L626-L669 HydrophobicContact CD2-CD2 4.33Å
627	E	97.6	Very high	95.9	Very high	17 Å²	17	33.5 Å²	33.5	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.8	170.5	63.2	-175.4	152.6	0	0	110.3	I629 V634 A636 I637 V661 R662 L664	E627-I629 HydrophobicContact CG-CD1 4.09Å; E627-I629 HydrophobicContact CG-CG1 4.12Å; E627-V634 HydrophobicContact CB-CG1 4.19Å; E627-V634 WeakPolarHBondContact OE2-CG2 3.48Å; E627-A636 WeakPolarHBondContact CA-O 3.39Å; E627-I637 HydrophobicContact CB-CD1 3.75Å; E627-V661 WeakPolarHBondContact O-CA 3.29Å; E627-R662 HydrophobicContact CG-CB 3.91Å; E627-R662 PolarHBondContact N-O 3.18Å; E627-R662 PolarHBondContact O-N 3.46Å; E627-R662 IonicContact OE1-CZ 3.98Å; E627-R662 IonicContact OE1-NE 3.3Å; E627-R662 PolarHBondContact OE1-NE 3.05Å; E627-R662 IonicContact OE1-NH2 3.32Å; E627-R662 PolarHBondContact OE1-NH2 3.3Å; E627-R662 IonicContact OE2-NH2 2.66Å; E627-L664 HydrophobicContact CB-CD1 4.26Å; E627-L664 HydrophobicContact CB-CD2 4.41Å; E627-L664 HydrophobicContact CB-CG 4.29Å; E627-L664 HydrophobicContact CG-CD2 4.04Å; E627-L664 HydrophobicContact CG-CG 4.23Å; E627-L664 WeakPolarHBondContact OE1-CD2 3.34Å
628	V	97.7	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.2	175.6	-174	0	0	0	0	107.8	V634 V635 A636 L638 A659 N660 V661 Y699	V628-V634 CarbonylContact O-C 3.6Å; V628-V634 WeakPolarHBondContact O-CA 3.45Å; V628-V635 HydrophobicContact CB-CG2 4.07Å; V628-V635 HydrophobicContact CG1-CG2 3.79Å; V628-V635 WeakPolarHBondContact O-CG2 3.28Å; V628-V635 PolarHBondContact O-N 3.29Å; V628-A636 HydrophobicContact CB-CB 4.14Å; V628-A636 HydrophobicContact CG2-CB 4.12Å; V628-A636 PolarHBondContact N-O 3.47Å; V628-L638 HydrophobicContact CG2-CD1 4.06Å; V628-L638 HydrophobicContact CG2-CG 4.32Å; V628-A659 HydrophobicContact CG1-CB 3.53Å; V628-N660 CarbonylContact C-O 3.46Å; V628-N660 WeakPolarHBondContact CA-O 3.36Å; V628-V661 HydrophobicContact CG1-CG2 4.44Å; V628-V661 HydrophobicContact CG2-CG2 4.35Å; V628-Y699 HydrophobicContact CG1-CD1 4.13Å; V628-Y699 HydrophobicContact CG1-CD2 4.5Å; V628-Y699 HydrophobicContact CG1-CE1 3.82Å; V628-Y699 HydrophobicContact CG1-CE2 4.18Å; V628-Y699 HydrophobicContact CG1-CG 4.47Å; V628-Y699 HydrophobicContact CG2-CG 4.37Å
629	I	97.1	Very high	96.1	Very high	20 Å²	20	34.2 Å²	34.2	10%	0.103	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.7	-171.7	-53.9	170.5	0	0	0	109.6	E627 E633 V634 A659 N660 R662	E627-I629 HydrophobicContact CG-CD1 4.09Å; E627-I629 HydrophobicContact CG-CG1 4.12Å; I629-E633 CarbonylContact C-O 3.57Å; I629-E633 VanDerWaalsContact CA-O 3.31Å; I629-E633 WeakPolarHBondContact CA-O 3.35Å; I629-V634 HydrophobicContact CG1-CG2 4.33Å; I629-A659 WeakPolarHBondContact O-CA 3.36Å; I629-A659 WeakPolarHBondContact O-CB 3.5Å; I629-N660 HydrophobicContact CB-CB 4.33Å; I629-N660 PolarHBondContact N-O 3.45Å; I629-N660 PolarHBondContact O-N 3.43Å; I629-R662 HydrophobicContact CD1-CB 4.42Å
630	Q	95.6	Very high	96	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.4	178.1	178.3	163	92.3	0	0	109.3	D632 E633 V635 C658 A659 I705 F707	Q630-D632 PolarHBondContact O-N 2.9Å; Q630-D632 VanDerWaalsContact O-N 3.16Å; Q630-E633 PolarHBondContact N-O 3.1Å; Q630-E633 PolarHBondContact O-N 3.42Å; Q630-V635 HydrophobicContact CB-CG1 3.94Å; Q630-V635 HydrophobicContact CB-CG2 4.06Å; Q630-C658 PolarHBondContact NE2-O 2.82Å; Q630-A659 HydrophobicContact CB-CB 4.15Å; Q630-I705 PolarHBondContact OE1-O 3.25Å; Q630-F707 HydrophobicContact CB-CE1 4.5Å; Q630-F707 HydrophobicContact CG-CE1 4.17Å; Q630-F707 WeakPolarHBondContact O-CZ 3.47Å
631	D	93.3	Very high	95.8	Very high	76 Å²	76	40.7 Å²	40.7	41%	0.406	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	42.1	-177.1	-49.1	-33.5	0	0	0	113.2	E633 R704 F707 K709	D631-E633 VanDerWaalsContact C-N 3.27Å; D631-E633 PolarHBondContact O-N 3.11Å; D631-R704 IonicContact OD1-CZ 3.11Å; D631-R704 IonicContact OD1-NH1 2.96Å; D631-R704 IonicContact OD1-NH2 3.96Å; D631-R704 PolarHBondContact OD1-NH2 3.43Å; D631-R704 IonicContact OD2-CZ 2.69Å; D631-R704 IonicContact OD2-NH2 2.75Å; D631-R704 PolarHBondContact OD2-NH2 2.97Å; D631-F707 HydrophobicContact CB-CZ 4.04Å; D631-K709 WeakPolarHBondContact O-CE 3.43Å; D631-K709 PolarHBondContact O-NZ 3.44Å
632	D	92.6	Very high	95.8	Very high	138 Å²	138	42.6 Å²	42.6	74%	0.738	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	19	-175.4	-52.1	-42.4	0	0	0	116.5	Q630	Q630-D632 PolarHBondContact O-N 2.9Å; Q630-D632 VanDerWaalsContact O-N 3.16Å
633	E	94.5	Very high	95.9	Very high	81 Å²	81	42.1 Å²	42.1	38%	0.379	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.6	168.9	-59.2	-59.9	146.7	0	0	111.3	I629 Q630 D631 V635 F707 K709	I629-E633 CarbonylContact C-O 3.57Å; I629-E633 VanDerWaalsContact CA-O 3.31Å; I629-E633 WeakPolarHBondContact CA-O 3.35Å; Q630-E633 PolarHBondContact N-O 3.1Å; Q630-E633 PolarHBondContact O-N 3.42Å; D631-E633 VanDerWaalsContact C-N 3.27Å; D631-E633 PolarHBondContact O-N 3.11Å; E633-V635 PolarHBondContact O-N 3.37Å; E633-F707 HydrophobicContact CB-CE2 4.05Å; E633-F707 HydrophobicContact CB-CZ 4.04Å; E633-F707 HydrophobicContact CG-CE2 3.66Å; E633-F707 HydrophobicContact CG-CZ 4.08Å; E633-K709 HydrophobicContact CG-CD 4.3Å; E633-K709 HydrophobicContact CG-CG 4.26Å; E633-K709 VanDerWaalsContact OE1-CD 3.24Å; E633-K709 WeakPolarHBondContact OE1-CD 3.3Å; E633-K709 WeakPolarHBondContact OE1-CE 3.35Å; E633-K709 IonicContact OE1-NZ 3.48Å; E633-K709 PolarHBondContact OE1-NZ 3.33Å
634	V	96.3	Very high	96	Very high	77 Å²	77	39.8 Å²	39.8	47%	0.467	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.8	172.9	-179.2	0	0	0	0	109.3	E627 V628 I629 I637	E627-V634 HydrophobicContact CB-CG1 4.19Å; E627-V634 WeakPolarHBondContact OE2-CG2 3.48Å; V628-V634 CarbonylContact O-C 3.6Å; V628-V634 WeakPolarHBondContact O-CA 3.45Å; I629-V634 HydrophobicContact CG1-CG2 4.33Å; V634-I637 HydrophobicContact CG1-CD1 3.78Å
635	V	95.7	Very high	96.1	Very high	42 Å²	42	38.6 Å²	38.6	26%	0.255	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-18.8	-177.3	-67.2	0	0	0	0	114.2	V628 Q630 E633 Y699 I705 F707	V628-V635 HydrophobicContact CB-CG2 4.07Å; V628-V635 HydrophobicContact CG1-CG2 3.79Å; V628-V635 WeakPolarHBondContact O-CG2 3.28Å; V628-V635 PolarHBondContact O-N 3.29Å; Q630-V635 HydrophobicContact CB-CG1 3.94Å; Q630-V635 HydrophobicContact CB-CG2 4.06Å; E633-V635 PolarHBondContact O-N 3.37Å; V635-Y699 HydrophobicContact CG2-CE2 3.87Å; V635-I705 HydrophobicContact CB-CD1 4.1Å; V635-I705 HydrophobicContact CG2-CD1 4.46Å; V635-F707 HydrophobicContact CG1-CE1 4.07Å
636	A	96.2	Very high	95.9	Very high	24 Å²	24	37 Å²	37	20%	0.198	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	156.9	172.6	0	0	0	0	0	111.9	E627 V628 Y699	E627-A636 WeakPolarHBondContact CA-O 3.39Å; V628-A636 HydrophobicContact CB-CB 4.14Å; V628-A636 HydrophobicContact CG2-CB 4.12Å; V628-A636 PolarHBondContact N-O 3.47Å; A636-Y699 HydrophobicContact CB-CD2 3.59Å; A636-Y699 HydrophobicContact CB-CE2 4.07Å; A636-Y699 HydrophobicContact CB-CG 4.47Å
637	I	97.5	Very high	95.8	Very high	97 Å²	97	38.3 Å²	38.3	50%	0.497	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122	170.1	-61.3	-61.2	0	0	0	108.7	L626 E627 V634 L664	L626-I637 CarbonylContact O-C 3.46Å; L626-I637 WeakPolarHBondContact O-CA 3.4Å; E627-I637 HydrophobicContact CB-CD1 3.75Å; V634-I637 HydrophobicContact CG1-CD1 3.78Å; I637-L664 HydrophobicContact CD1-CD1 4.27Å
638	L	97.6	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.1	172.5	55.1	70.3	0	0	0	112.6	S625 L626 V628 D642 F644 T698	S625-L638 CarbonylContact C-O 3.58Å; S625-L638 WeakPolarHBondContact CA-O 3.4Å; S625-L638 WeakPolarHBondContact CB-O 3.26Å; L626-L638 HydrophobicContact CB-CD1 4.35Å; L626-L638 PolarHBondContact N-O 3.37Å; L626-L638 PolarHBondContact O-N 3.18Å; V628-L638 HydrophobicContact CG2-CD1 4.06Å; V628-L638 HydrophobicContact CG2-CG 4.32Å; L638-D642 HydrophobicContact CB-CB 3.68Å; L638-D642 HydrophobicContact CD2-CB 4.27Å; L638-F644 HydrophobicContact CD1-CB 4.15Å; L638-F644 HydrophobicContact CD1-CD1 3.67Å; L638-F644 HydrophobicContact CD1-CE1 4.2Å; L638-F644 HydrophobicContact CD1-CG 3.91Å; L638-F644 HydrophobicContact CD2-CB 4.1Å; L638-T698 HydrophobicContact CD2-CG2 3.79Å
639	G	96.4	Very high	95.1	Very high	21 Å²	21	39.8 Å²	39.8	22%	0.216	22%	0.221	C	C	.	.			trans	-103.3	173.9	174.4	0	0	0	0	0	114.1	V621 G641 D642	V621-G639 VanDerWaalsContact CB-O 3.26Å; V621-G639 WeakPolarHBondContact CB-O 3.26Å; V621-G639 VanDerWaalsContact CG1-O 3.27Å; V621-G639 WeakPolarHBondContact CG1-O 3.49Å; G639-G641 PolarHBondContact O-N 3.04Å; G639-D642 VanDerWaalsContact CA-OD2 3.31Å; G639-D642 WeakPolarHBondContact CA-OD2 3.46Å; G639-D642 PolarHBondContact N-OD2 2.94Å; G639-D642 WeakPolarHBondContact O-CB 3.49Å; G639-D642 PolarHBondContact O-N 3.11Å
640	K	95.6	Very high	94.6	Very high	108 Å²	108	45.5 Å²	45.5	47%	0.47	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	126	171.8	174.2	175.8	-177.8	-59.3	0	110.8	E578 V622	E578-K640 IonicContact OE1-NZ 3.79Å; E578-K640 PolarHBondContact OE1-NZ 3.04Å; E578-K640 VanDerWaalsContact OE1-NZ 3.11Å; E578-K640 IonicContact OE2-NZ 2.69Å; E578-K640 PolarHBondContact OE2-NZ 3.35Å; V622-K640 WeakPolarHBondContact O-CD 3.49Å; V622-K640 VanDerWaalsContact O-CE 3.27Å; V622-K640 WeakPolarHBondContact O-CE 3.16Å; V622-K640 WeakPolarHBondContact O-CG 3.38Å
641	G	93.4	Very high	94.1	Very high	30 Å²	30	48.5 Å²	48.5	31%	0.309	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	1.8	-177.2	0	0	0	0	0	113.9	H579 V621 G639	H579-G641 PolarHBondContact CE1-O 2.95Å; H579-G641 PolarHBondContact ND1-O 3.12Å; V621-G641 PolarHBondContact O-N 3.16Å; G639-G641 PolarHBondContact O-N 3.04Å
642	D	96.6	Very high	93.3	Very high	40 Å²	40	48.5 Å²	48.5	21%	0.214	27%	0.27	C	S	.	.			trans	-84.2	158.4	174	-75.7	-49.1	0	0	0	113.2	V621 L638 G639 T698	V621-D642 HydrophobicContact CG2-CB 4.49Å; V621-D642 PolarHBondContact N-O 2.98Å; L638-D642 HydrophobicContact CB-CB 3.68Å; L638-D642 HydrophobicContact CD2-CB 4.27Å; G639-D642 VanDerWaalsContact CA-OD2 3.31Å; G639-D642 WeakPolarHBondContact CA-OD2 3.46Å; G639-D642 PolarHBondContact N-OD2 2.94Å; G639-D642 WeakPolarHBondContact O-CB 3.49Å; G639-D642 PolarHBondContact O-N 3.11Å; D642-T698 WeakPolarHBondContact CA-OG1 3.32Å; D642-T698 HydrophobicContact CB-CG2 4.17Å; D642-T698 WeakPolarHBondContact CB-OG1 3.45Å; D642-T698 WeakPolarHBondContact OD1-CB 3.3Å; D642-T698 WeakPolarHBondContact OD1-CG2 3.3Å; D642-T698 PolarHBondContact OD1-OG1 3.12Å
643	V	97.3	Very high	93.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.7	179.4	-165.1	0	0	0	0	110.1	H579 L618 C619 F620 L695 L697 T698 Y699	H579-V643 WeakPolarHBondContact CE1-CG2 3.26Å; H579-V643 WeakPolarHBondContact ND1-CG2 3.2Å; L618-V643 HydrophobicContact CD1-CG1 3.66Å; L618-V643 HydrophobicContact CG-CG1 4.19Å; C619-V643 WeakPolarHBondContact O-CA 3.13Å; C619-V643 WeakPolarHBondContact O-CG1 3.42Å; F620-V643 HydrophobicContact CD1-CB 4.31Å; F620-V643 HydrophobicContact CD1-CG1 3.83Å; F620-V643 HydrophobicContact CD1-CG2 3.51Å; F620-V643 HydrophobicContact CE1-CB 4.44Å; F620-V643 HydrophobicContact CE1-CG1 3.74Å; F620-V643 HydrophobicContact CE1-CG2 3.76Å; F620-V643 HydrophobicContact CE2-CG1 4.49Å; F620-V643 HydrophobicContact CG-CG1 4.24Å; F620-V643 HydrophobicContact CG-CG2 4.42Å; F620-V643 HydrophobicContact CZ-CG1 4.09Å; V643-L695 HydrophobicContact CB-CD1 4.41Å; V643-L695 HydrophobicContact CG1-CD1 4.27Å; V643-L695 HydrophobicContact CG2-CD1 4.06Å; V643-L697 HydrophobicContact CB-CD2 4.29Å; V643-L697 HydrophobicContact CG1-CD2 3.79Å; V643-L697 CarbonylContact O-C 3.38Å; V643-T698 PolarHBondContact N-OG1 2.87Å; V643-T698 PolarHBondContact O-N 3.36Å; V643-Y699 PolarHBondContact O-N 3.42Å
644	F	96.7	Very high	92.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.7	179	71	-80.6	0	0	0	112	I608 Y609 C619 V621 L626 L638 V661 L669 Y699 L701	I608-F644 HydrophobicContact CG2-CZ 4.4Å; Y609-F644 HydrophobicContact CD2-CE2 4.19Å; C619-F644 HydrophobicContact CB-CD1 3.82Å; C619-F644 HydrophobicContact CB-CD2 4.18Å; C619-F644 HydrophobicContact CB-CE1 3.4Å; C619-F644 VanDerWaalsContact CB-CE1 3.4Å; C619-F644 HydrophobicContact CB-CE2 3.8Å; C619-F644 HydrophobicContact CB-CG 4.2Å; C619-F644 HydrophobicContact CB-CZ 3.4Å; C619-F644 PolarHBondContact N-O 3.29Å; C619-F644 PolarHBondContact O-N 2.9Å; V621-F644 HydrophobicContact CG2-CD1 3.99Å; V621-F644 HydrophobicContact CG2-CE1 3.76Å; L626-F644 HydrophobicContact CD2-CE1 4.4Å; L626-F644 HydrophobicContact CD2-CZ 4.19Å; L638-F644 HydrophobicContact CD1-CB 4.15Å; L638-F644 HydrophobicContact CD1-CD1 3.67Å; L638-F644 HydrophobicContact CD1-CE1 4.2Å; L638-F644 HydrophobicContact CD1-CG 3.91Å; L638-F644 HydrophobicContact CD2-CB 4.1Å; F644-V661 HydrophobicContact CD2-CG1 4.44Å; F644-V661 HydrophobicContact CD2-CG2 4.4Å; F644-V661 HydrophobicContact CE2-CB 4.44Å; F644-V661 HydrophobicContact CE2-CG1 3.87Å; F644-V661 HydrophobicContact CE2-CG2 4.3Å; F644-V661 HydrophobicContact CZ-CG1 4.18Å; F644-L669 HydrophobicContact CE1-CD2 4.22Å; F644-L669 HydrophobicContact CZ-CD1 4.15Å; F644-Y699 WeakPolarHBondContact CA-O 3.29Å; F644-L701 HydrophobicContact CD2-CD1 4.27Å
645	G	95	Very high	92.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-130.1	-170.6	0	0	0	0	0	109.9	Y699 N700 L701	G645-Y699 PolarHBondContact N-O 3.15Å; G645-N700 WeakPolarHBondContact O-CA 3.47Å; G645-L701 PolarHBondContact O-N 3.03Å
646	D	94.6	Very high	92.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.			trans	-148.9	162.5	-176.3	-167.4	26.4	0	0	0	113.7	V615 F648 N700 R702	V615-D646 HydrophobicContact CB-CB 4.47Å; V615-D646 HydrophobicContact CG1-CB 3.82Å; D646-F648 HydrophobicContact CB-CD1 4.21Å; D646-F648 HydrophobicContact CB-CE1 3.77Å; D646-F648 HydrophobicContact CB-CZ 4.34Å; D646-F648 PolarHBondContact O-N 2.96Å; D646-F648 VanDerWaalsContact O-N 3.15Å; D646-N700 PolarHBondContact OD1-ND2 3.44Å; D646-R702 IonicContact OD1-NE 2.68Å; D646-R702 PolarHBondContact OD1-NE 2.92Å; D646-R702 IonicContact OD2-CZ 3.98Å; D646-R702 IonicContact OD2-NE 3.49Å; D646-R702 PolarHBondContact OD2-NE 3.2Å; D646-R702 IonicContact OD2-NH2 3.53Å; D646-R702 PolarHBondContact OD2-NH2 2.76Å
647	V	93.8	Very high	92.6	Very high	28 Å²	28	47.4 Å²	47.4	17%	0.17	26%	0.26	C	S	.	.			trans	-93	64.5	-168.2	-166.5	0	0	0	0	111.2	W649 K650 E651 L697	V647-W649 HydrophobicContact CG1-CD2 4.18Å; V647-W649 HydrophobicContact CG1-CH2 4.15Å; V647-W649 HydrophobicContact CG1-CZ2 3.63Å; V647-W649 PolarHBondContact O-N 2.88Å; V647-K650 HydrophobicContact CG1-CB 3.93Å; V647-K650 HydrophobicContact CG1-CD 3.9Å; V647-K650 HydrophobicContact CG1-CG 3.85Å; V647-K650 PolarHBondContact O-N 3.49Å; V647-E651 PolarHBondContact O-N 2.93Å; V647-L697 HydrophobicContact CG2-CD1 3.63Å; V647-L697 HydrophobicContact CG2-CG 4.25Å
648	F	92.5	Very high	92.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-21	-169.8	-57.7	-44.6	0	0	0	117.3	V615 L618 D646 R674 L677 Q678	V615-F648 HydrophobicContact CG1-CZ 4.41Å; V615-F648 VanDerWaalsContact O-CE1 3.31Å; V615-F648 WeakPolarHBondContact O-CE1 3.37Å; L618-F648 HydrophobicContact CB-CE2 3.97Å; D646-F648 HydrophobicContact CB-CD1 4.21Å; D646-F648 HydrophobicContact CB-CE1 3.77Å; D646-F648 HydrophobicContact CB-CZ 4.34Å; D646-F648 PolarHBondContact O-N 2.96Å; D646-F648 VanDerWaalsContact O-N 3.15Å; F648-R674 HydrophobicContact CB-CG 3.83Å; F648-R674 HydrophobicContact CD1-CB 4.18Å; F648-R674 HydrophobicContact CD1-CG 3.69Å; F648-R674 HydrophobicContact CD2-CB 3.87Å; F648-R674 HydrophobicContact CD2-CG 3.88Å; F648-R674 HydrophobicContact CE1-CB 4.19Å; F648-R674 HydrophobicContact CE1-CG 4.17Å; F648-R674 HydrophobicContact CE2-CB 3.87Å; F648-R674 HydrophobicContact CE2-CG 4.33Å; F648-R674 HydrophobicContact CG-CB 4.03Å; F648-R674 HydrophobicContact CG-CG 3.54Å; F648-R674 HydrophobicContact CZ-CB 4.05Å; F648-R674 HydrophobicContact CZ-CG 4.47Å; F648-L677 HydrophobicContact CD2-CD2 4.42Å; F648-Q678 PolarHBondContact O-NE2 2.72Å
649	W	88.9	Confident	92.4	Very high	46 Å²	46	44.3 Å²	44.3	17%	0.174	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-4.3	179.7	58.8	90.2	0	0	0	113.2	L618 V647 L677 L681 F691 S692 L695	L618-W649 HydrophobicContact CD2-CZ3 4.34Å; V647-W649 HydrophobicContact CG1-CD2 4.18Å; V647-W649 HydrophobicContact CG1-CH2 4.15Å; V647-W649 HydrophobicContact CG1-CZ2 3.63Å; V647-W649 PolarHBondContact O-N 2.88Å; W649-L677 HydrophobicContact CE3-CD2 4.35Å; W649-L677 HydrophobicContact CZ3-CD2 4.22Å; W649-L681 HydrophobicContact CB-CD1 3.96Å; W649-L681 HydrophobicContact CD2-CD1 4.43Å; W649-L681 HydrophobicContact CE3-CD1 4.31Å; W649-L681 HydrophobicContact CG-CD1 4.31Å; W649-F691 HydrophobicContact CD2-CD1 4.3Å; W649-F691 HydrophobicContact CD2-CE1 4.17Å; W649-F691 HydrophobicContact CE3-CD1 4.44Å; W649-F691 AromaticContact CE3-CE1 3.86Å; W649-F691 HydrophobicContact CE3-CE1 3.86Å; W649-F691 AromaticContact CH2-CE1 3.89Å; W649-F691 HydrophobicContact CH2-CE1 3.89Å; W649-F691 HydrophobicContact CZ2-CD1 4.38Å; W649-F691 HydrophobicContact CZ2-CE1 4.15Å; W649-F691 AromaticContact CZ3-CE1 3.74Å; W649-F691 HydrophobicContact CZ3-CE1 3.74Å; W649-S692 VanDerWaalsContact CD1-CB 3.49Å; W649-S692 VanDerWaalsContact CD1-OG 3.23Å; W649-S692 VanDerWaalsContact NE1-CA 3.33Å; W649-S692 PolarHBondContact NE1-OG 3.28Å; W649-S692 VanDerWaalsContact NE1-OG 3.14Å; W649-L695 HydrophobicContact CH2-CD2 3.6Å; W649-L695 HydrophobicContact CH2-CG 4.27Å; W649-L695 HydrophobicContact CZ2-CB 4.43Å; W649-L695 HydrophobicContact CZ2-CD2 4.2Å; W649-L695 HydrophobicContact CZ3-CD2 4.37Å
650	K	87.7	Confident	92.4	Very high	139 Å²	139	45.4 Å²	45.4	60%	0.604	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-33.1	167.2	-61.8	-174.7	-172.7	171.2	0	111.3	V647 S692	V647-K650 HydrophobicContact CG1-CB 3.93Å; V647-K650 HydrophobicContact CG1-CD 3.9Å; V647-K650 HydrophobicContact CG1-CG 3.85Å; V647-K650 PolarHBondContact O-N 3.49Å; K650-S692 WeakPolarHBondContact CE-OG 3.36Å; K650-S692 PolarHBondContact NZ-O 3.19Å; K650-S692 VanDerWaalsContact NZ-O 3.08Å
651	E	83.6	Confident	92.5	Very high	65 Å²	65	40.3 Å²	40.3	30%	0.304	23%	0.225	S	C	.	.			trans	-116.1	102.4	-179.5	-58.7	-163.7	-129.1	0	0	110.7	V647 T653 R702	V647-E651 PolarHBondContact O-N 2.93Å; E651-T653 VanDerWaalsContact C-N 3.34Å; E651-T653 PolarHBondContact O-N 3.46Å; E651-R702 IonicContact OE1-NE 3.11Å; E651-R702 WeakPolarHBondContact OE2-CD 3.24Å; E651-R702 IonicContact OE2-CZ 3.87Å; E651-R702 IonicContact OE2-NE 3.51Å; E651-R702 PolarHBondContact OE2-NE 2.92Å; E651-R702 IonicContact OE2-NH1 2.72Å; E651-R702 PolarHBondContact OE2-NH1 3.29Å
652	A	77.4	Confident	92.6	Very high	77 Å²	77	43.4 Å²	43.4	64%	0.636	23%	0.227	S	C	*	.			trans	-74	-20.2	-173.4	0	0	0	0	0	114.6	R674	A652-R674 PolarHBondContact O-NH1 3.05Å; A652-R674 VanDerWaalsContact O-NH1 3.07Å
653	T	88.9	Confident	92.5	Very high	91 Å²	91	41.5 Å²	41.5	56%	0.558	22%	0.218	S	C	*	.	S	Bend	trans	-76.1	152	176.2	52.5	0	0	0	0	111.2	E651 R702	E651-T653 VanDerWaalsContact C-N 3.34Å; E651-T653 PolarHBondContact O-N 3.46Å; T653-R702 PolarHBondContact O-NH2 3.46Å; T653-R702 PolarHBondContact OG1-NH1 3.47Å; T653-R702 VanDerWaalsContact OG1-NH1 3.09Å
654	L	89.5	Confident	92.4	Very high	86 Å²	86	44.8 Å²	44.8	45%	0.45	24%	0.235	S	C	.	.			trans	-75.5	149.8	162.4	-73	170.4	0	0	0	110	D616	D616-L654 HydrophobicContact CB-CD2 4.5Å
655	A	91.4	Very high	92.2	Very high	17 Å²	17	47.4 Å²	47.4	14%	0.14	25%	0.251	C	S	.	.			trans	-126	156.1	175.3	0	0	0	0	0	111.8	V615 R702	V615-A655 PolarHBondContact N-O 3.4Å; A655-R702 HydrophobicContact CB-CB 3.85Å; A655-R702 HydrophobicContact CB-CG 3.71Å; A655-R702 VanDerWaalsContact CB-CZ 3.49Å
656	Q	94.4	Very high	92	Very high	142 Å²	142	54.6 Å²	54.6	66%	0.664	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-80	139	169.3	-66.2	176.8	-31.6	0	0	109.7	G612 E613 C658	G612-Q656 WeakPolarHBondContact O-CG 3.21Å; E613-Q656 CarbonylContact O-C 3.56Å; E613-Q656 VanDerWaalsContact O-CA 3.3Å; E613-Q656 WeakPolarHBondContact O-CA 3.25Å; Q656-C658 PolarHBondContact O-N 2.78Å
657	S	95.6	Very high	91.9	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.021	28%	0.279	C	S	.	.			trans	-65.5	128.2	171.7	-174.7	0	0	0	0	109.8	H610 A611 G612 E613 A659	H610-S657 WeakPolarHBondContact O-CB 3.34Å; A611-S657 WeakPolarHBondContact CA-O 3.24Å; G612-S657 PolarHBondContact N-O 3.21Å; E613-S657 PolarHBondContact O-N 3.04Å; S657-A659 PolarHBondContact O-N 3.24Å; S657-A659 PolarHBondContact OG-N 2.94Å; S657-A659 PolarHBondContact OG-O 2.93Å
658	C	94.8	Very high	91.8	Very high	31 Å²	31	55.6 Å²	55.6	21%	0.209	28%	0.283	C	S	.	.	S	Bend	trans	-80	-5.5	174.9	-67.9	0	0	0	0	112.9	Q630 Q656 L701 R702 R704	Q630-C658 PolarHBondContact NE2-O 2.82Å; Q656-C658 PolarHBondContact O-N 2.78Å; C658-L701 WeakPolarHBondContact CB-O 3.29Å; C658-L701 PolarHBondContact N-O 3.07Å; C658-R702 PolarHBondContact SG-O 3.05Å; C658-R704 HydrophobicContact CB-CB 4.19Å
659	A	95.6	Very high	92	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-144.4	157.9	-173.9	0	0	0	0	0	112.2	V628 I629 Q630 S657	V628-A659 HydrophobicContact CG1-CB 3.53Å; I629-A659 WeakPolarHBondContact O-CA 3.36Å; I629-A659 WeakPolarHBondContact O-CB 3.5Å; Q630-A659 HydrophobicContact CB-CB 4.15Å; S657-A659 PolarHBondContact O-N 3.24Å; S657-A659 PolarHBondContact OG-N 2.94Å; S657-A659 PolarHBondContact OG-O 2.93Å
660	N	96.8	Very high	92.3	Very high	45 Å²	45	53.9 Å²	53.9	24%	0.241	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	147.2	162.7	-65.9	-37.3	0	0	0	109.2	L607 Y609 H610 A611 V628 I629	L607-N660 HydrophobicContact CD2-CB 3.96Å; Y609-N660 CarbonylContact O-C 3.52Å; Y609-N660 VanDerWaalsContact O-CA 3.31Å; Y609-N660 WeakPolarHBondContact O-CA 3.46Å; H610-N660 WeakPolarHBondContact CA-OD1 3.44Å; A611-N660 PolarHBondContact N-OD1 3.44Å; V628-N660 CarbonylContact C-O 3.46Å; V628-N660 WeakPolarHBondContact CA-O 3.36Å; I629-N660 HydrophobicContact CB-CB 4.33Å; I629-N660 PolarHBondContact N-O 3.45Å; I629-N660 PolarHBondContact O-N 3.43Å
661	V	97.3	Very high	92.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.2	170.7	-175	0	0	0	0	108.8	L607 I608 Y609 L626 E627 V628 F644 L701	L607-V661 CarbonylContact C-O 3.55Å; L607-V661 WeakPolarHBondContact CA-O 3.34Å; I608-V661 PolarHBondContact N-O 3Å; Y609-V661 PolarHBondContact O-N 3.14Å; L626-V661 HydrophobicContact CB-CG1 4.49Å; L626-V661 HydrophobicContact CD2-CG1 3.96Å; E627-V661 WeakPolarHBondContact O-CA 3.29Å; V628-V661 HydrophobicContact CG1-CG2 4.44Å; V628-V661 HydrophobicContact CG2-CG2 4.35Å; F644-V661 HydrophobicContact CD2-CG1 4.44Å; F644-V661 HydrophobicContact CD2-CG2 4.4Å; F644-V661 HydrophobicContact CE2-CB 4.44Å; F644-V661 HydrophobicContact CE2-CG1 3.87Å; F644-V661 HydrophobicContact CE2-CG2 4.3Å; F644-V661 HydrophobicContact CZ-CG1 4.18Å; V661-L701 HydrophobicContact CG2-CD1 4.38Å; V661-L701 HydrophobicContact CG2-CD2 3.67Å
662	R	95.9	Very high	93.4	Very high	95 Å²	95	44.7 Å²	44.7	36%	0.358	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	-175.4	-169.4	164.9	65.2	-171.1	-1.9	111.5	D606 L607 L626 E627 I629	D606-R662 CarbonylContact O-C 3.54Å; D606-R662 VanDerWaalsContact O-CA 3.24Å; D606-R662 WeakPolarHBondContact O-CA 3.46Å; D606-R662 WeakPolarHBondContact O-CG 3.47Å; L607-R662 HydrophobicContact CD2-CB 3.79Å; L607-R662 HydrophobicContact CD2-CG 4.22Å; L626-R662 CarbonylContact C-O 3.52Å; L626-R662 WeakPolarHBondContact CA-O 3.3Å; L626-R662 WeakPolarHBondContact CB-O 3.43Å; E627-R662 HydrophobicContact CG-CB 3.91Å; E627-R662 PolarHBondContact N-O 3.18Å; E627-R662 PolarHBondContact O-N 3.46Å; E627-R662 IonicContact OE1-CZ 3.98Å; E627-R662 IonicContact OE1-NE 3.3Å; E627-R662 PolarHBondContact OE1-NE 3.05Å; E627-R662 IonicContact OE1-NH2 3.32Å; E627-R662 PolarHBondContact OE1-NH2 3.3Å; E627-R662 IonicContact OE2-NH2 2.66Å; I629-R662 HydrophobicContact CD1-CB 4.42Å
663	A	95.8	Very high	94.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.5	170.6	0	0	0	0	0	110.9	C602 A603 G605 D606 I608 C667	C602-A663 HydrophobicContact CB-CB 4.08Å; A603-A663 WeakPolarHBondContact O-CB 3.42Å; G605-A663 PolarHBondContact N-O 3.12Å; D606-A663 PolarHBondContact O-N 3.35Å; I608-A663 HydrophobicContact CD1-CB 4.07Å; A663-C667 HydrophobicContact CB-CB 4.48Å
664	L	94.9	Very high	94.5	Very high	73 Å²	73	42.4 Å²	42.4	38%	0.382	20%	0.204	S	C	.	.	S	Bend	trans	-91.1	-34.8	174.1	-68.1	171.2	0	0	0	111.6	S625 E627 I637	S625-L664 WeakPolarHBondContact O-CB 3.41Å; S625-L664 PolarHBondContact O-N 2.81Å; E627-L664 HydrophobicContact CB-CD1 4.26Å; E627-L664 HydrophobicContact CB-CD2 4.41Å; E627-L664 HydrophobicContact CB-CG 4.29Å; E627-L664 HydrophobicContact CG-CD2 4.04Å; E627-L664 HydrophobicContact CG-CG 4.23Å; E627-L664 WeakPolarHBondContact OE1-CD2 3.34Å; I637-L664 HydrophobicContact CD1-CD1 4.27Å
665	T	92.6	Very high	94.8	Very high	55 Å²	55	42 Å²	42	34%	0.337	20%	0.203	S	C	.	.	S	Bend	trans	-118.1	-177.9	176.3	64.6	0	0	0	0	110.4	G624 S625 C667	G624-T665 WeakPolarHBondContact CA-OG1 3.36Å; S625-T665 PolarHBondContact N-OG1 3.48Å; S625-T665 PolarHBondContact O-N 2.87Å; T665-C667 PolarHBondContact O-N 3.49Å; T665-C667 PolarHBondContact O-SG 3.47Å
666	Y	89.8	Confident	95	Very high	151 Å²	151	41.7 Å²	41.7	59%	0.592	20%	0.199	S	C	*	.			trans	-59	130.3	153.7	-67.3	-79.5	0	0	0	108.6	C602 A603 P604 G624	C602-Y666 CarbonylContact O-C 3.48Å; C602-Y666 VanDerWaalsContact O-CA 3.3Å; C602-Y666 WeakPolarHBondContact O-CA 3.43Å; A603-Y666 HydrophobicContact CB-CD1 4.23Å; A603-Y666 HydrophobicContact CB-CE1 3.84Å; P604-Y666 HydrophobicContact CG-CD2 4.07Å; P604-Y666 HydrophobicContact CG-CE2 3.97Å; P604-Y666 HydrophobicContact CG-CG 4.45Å; G624-Y666 WeakPolarHBondContact CA-O 3.47Å
667	C	92.1	Very high	95.1	Very high	1 Å²	1	35 Å²	35	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.6	-174.1	-63.3	0	0	0	0	111.1	H601 C602 S623 S625 L626 A663 T665	H601-C667 WeakPolarHBondContact CA-O 3.38Å; C602-C667 HydrophobicContact CB-CB 4.41Å; C602-C667 PolarHBondContact N-O 3.41Å; C602-C667 PolarHBondContact O-N 2.82Å; S623-C667 WeakPolarHBondContact O-CA 3.37Å; S625-C667 PolarHBondContact N-SG 3.03Å; S625-C667 PolarHBondContact O-SG 3.26Å; L626-C667 HydrophobicContact CD1-CB 4.25Å; A663-C667 HydrophobicContact CB-CB 4.48Å; T665-C667 PolarHBondContact O-N 3.49Å; T665-C667 PolarHBondContact O-SG 3.47Å
668	D	92.8	Very high	95	Very high	47 Å²	47	36.5 Å²	36.5	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.4	174.1	-59.1	-41.4	0	0	0	108.5	H601 V622 S623	H601-D668 IonicContact CE1-OD1 3.59Å; H601-D668 PolarHBondContact CE1-OD1 3.02Å; H601-D668 IonicContact CG-OD1 3.24Å; H601-D668 IonicContact ND1-OD1 3.71Å; H601-D668 PolarHBondContact ND1-OD1 3.3Å; V622-D668 PolarHBondContact N-O 2.93Å; S623-D668 WeakPolarHBondContact CB-OD2 3.49Å; S623-D668 PolarHBondContact N-O 3.29Å; S623-D668 PolarHBondContact O-N 2.98Å
669	L	95.3	Very high	95.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.8	178	-60.2	-175.2	0	0	0	110.1	T599 V600 I608 V621 L626 F644 V671	T599-L669 WeakPolarHBondContact CA-O 3.2Å; V600-L669 HydrophobicContact CB-CB 4.44Å; V600-L669 PolarHBondContact N-O 3.47Å; V600-L669 PolarHBondContact O-N 3.29Å; I608-L669 HydrophobicContact CG1-CD1 3.89Å; I608-L669 HydrophobicContact CG2-CD1 4Å; V621-L669 HydrophobicContact CB-CD2 4.25Å; V621-L669 HydrophobicContact CG1-CD2 4.31Å; V621-L669 HydrophobicContact CG2-CD2 3.87Å; L626-L669 HydrophobicContact CD1-CD2 4.07Å; L626-L669 HydrophobicContact CD2-CD1 4.27Å; L626-L669 HydrophobicContact CD2-CD2 4.33Å; F644-L669 HydrophobicContact CE1-CD2 4.22Å; F644-L669 HydrophobicContact CZ-CD1 4.15Å; L669-V671 HydrophobicContact CB-CG1 4.15Å
670	H	96.4	Very high	95.1	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.056	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.6	166.8	-74.5	-118.1	0	0	0	107.6	N572 V575 F597 Q598 T599 F620 V622	N572-H670 PolarHBondContact OD1-ND1 2.89Å; V575-H670 HydrophobicContact CG2-CB 3.48Å; V575-H670 VanDerWaalsContact CG2-CB 3.48Å; F597-H670 HydrophobicContact CD1-CB 4.16Å; F597-H670 HydrophobicContact CE1-CB 4.3Å; Q598-H670 WeakPolarHBondContact O-CA 3.47Å; T599-H670 PolarHBondContact OG1-CE1 2.94Å; F620-H670 HydrophobicContact CB-CB 4.42Å; F620-H670 WeakPolarHBondContact CD2-O 3.15Å; F620-H670 PolarHBondContact N-O 3.42Å; F620-H670 PolarHBondContact O-N 3.12Å; V622-H670 HydrophobicContact CG2-CB 4.37Å; V622-H670 WeakPolarHBondContact CG2-CD2 3.34Å
671	V	96.3	Very high	95.1	Very high	10 Å²	10	40.3 Å²	40.3	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.2	-174.2	-49.9	0	0	0	0	110.3	F597 Q598 V600 L618 C619 L669	F597-V671 WeakPolarHBondContact CD1-O 3.3Å; Q598-V671 HydrophobicContact CB-CG2 3.89Å; Q598-V671 PolarHBondContact N-O 3.2Å; Q598-V671 PolarHBondContact O-N 3.36Å; V600-V671 HydrophobicContact CG2-CG1 4.24Å; V600-V671 HydrophobicContact CG2-CG2 3.79Å; L618-V671 WeakPolarHBondContact O-CA 3.34Å; C619-V671 HydrophobicContact CB-CG1 4.24Å; C619-V671 VanDerWaalsContact SG-CG1 3.57Å; L669-V671 HydrophobicContact CB-CG1 4.15Å
672	I	97.2	Very high	95	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.7	171.3	-171.4	168.1	0	0	0	109.5	L593 E596 F597 S617 L618 F620 L677	L593-I672 HydrophobicContact CD2-CD1 3.96Å; E596-I672 HydrophobicContact CB-CD1 4.16Å; E596-I672 HydrophobicContact CB-CG1 4.32Å; F597-I672 HydrophobicContact CD1-CB 3.93Å; F597-I672 HydrophobicContact CD2-CB 4.49Å; F597-I672 HydrophobicContact CD2-CD1 4.08Å; F597-I672 HydrophobicContact CE1-CB 3.84Å; F597-I672 HydrophobicContact CE1-CG2 3.95Å; F597-I672 HydrophobicContact CE2-CB 4.4Å; F597-I672 HydrophobicContact CE2-CD1 4.04Å; F597-I672 HydrophobicContact CG-CB 4.26Å; F597-I672 HydrophobicContact CZ-CB 4.08Å; F597-I672 HydrophobicContact CZ-CD1 4.49Å; F597-I672 HydrophobicContact CZ-CG2 3.94Å; S617-I672 WeakPolarHBondContact CA-O 3.35Å; L618-I672 HydrophobicContact CB-CG2 4.02Å; L618-I672 HydrophobicContact CD2-CG2 4.32Å; L618-I672 PolarHBondContact N-O 3.26Å; L618-I672 PolarHBondContact O-N 3.43Å; F620-I672 HydrophobicContact CE2-CG2 4.26Å; I672-L677 HydrophobicContact CD1-CB 4.11Å; I672-L677 HydrophobicContact CD1-CD1 4.27Å; I672-L677 HydrophobicContact CG1-CB 4.18Å; I672-L677 HydrophobicContact CG2-CB 4.43Å; I672-L677 HydrophobicContact CG2-CD2 4.25Å
673	K	96.3	Very high	95	Very high	78 Å²	78	49.8 Å²	49.8	34%	0.339	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.4	-178.2	-70.6	-74.5	172.1	-179.3	0	110.9	D616 D675 A676 L677	D616-K673 IonicContact OD1-NZ 3.4Å; D616-K673 PolarHBondContact OD1-NZ 3.29Å; D616-K673 WeakPolarHBondContact OD2-CD 3.37Å; D616-K673 IonicContact OD2-NZ 2.86Å; D616-K673 PolarHBondContact OD2-NZ 2.9Å; K673-D675 PolarHBondContact O-N 2.99Å; K673-A676 PolarHBondContact O-N 3.5Å; K673-A676 VanDerWaalsContact O-N 3.11Å; K673-L677 PolarHBondContact O-N 3.37Å
674	R	94.6	Very high	95.1	Very high	41 Å²	41	52.5 Å²	52.5	16%	0.155	24%	0.244	C	C	.	.	H	α-helix	trans	-45.7	-56.5	-178	178.5	-172.9	78.6	133.1	11.7	112.3	D616 F648 A652 A676 L677 Q678	D616-R674 VanDerWaalsContact O-CB 3.28Å; D616-R674 WeakPolarHBondContact O-CB 3.44Å; D616-R674 PolarHBondContact O-N 3.48Å; F648-R674 HydrophobicContact CB-CG 3.83Å; F648-R674 HydrophobicContact CD1-CB 4.18Å; F648-R674 HydrophobicContact CD1-CG 3.69Å; F648-R674 HydrophobicContact CD2-CB 3.87Å; F648-R674 HydrophobicContact CD2-CG 3.88Å; F648-R674 HydrophobicContact CE1-CB 4.19Å; F648-R674 HydrophobicContact CE1-CG 4.17Å; F648-R674 HydrophobicContact CE2-CB 3.87Å; F648-R674 HydrophobicContact CE2-CG 4.33Å; F648-R674 HydrophobicContact CG-CB 4.03Å; F648-R674 HydrophobicContact CG-CG 3.54Å; F648-R674 HydrophobicContact CZ-CB 4.05Å; F648-R674 HydrophobicContact CZ-CG 4.47Å; A652-R674 PolarHBondContact O-NH1 3.05Å; A652-R674 VanDerWaalsContact O-NH1 3.07Å; R674-A676 PolarHBondContact O-N 3.37Å; R674-L677 PolarHBondContact O-N 2.95Å; R674-Q678 HydrophobicContact CG-CG 4.35Å; R674-Q678 WeakPolarHBondContact O-CB 3.22Å; R674-Q678 WeakPolarHBondContact O-CG 3.36Å; R674-Q678 PolarHBondContact O-N 3.08Å
675	D	94.6	Very high	95	Very high	79 Å²	79	53.2 Å²	53.2	42%	0.422	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-22.8	-171.8	-63.2	18.1	0	0	0	112.5	K673 K679	K673-D675 PolarHBondContact O-N 2.99Å; D675-K679 WeakPolarHBondContact O-CD 3.29Å; D675-K679 WeakPolarHBondContact O-CE 3.47Å; D675-K679 WeakPolarHBondContact O-CG 3.47Å
676	A	96.2	Very high	95	Very high	9 Å²	9	54.6 Å²	54.6	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-81.8	-47.6	173.5	0	0	0	0	0	110.9	E596 K673 R674 Q678 K679 V680	E596-A676 HydrophobicContact CB-CB 3.81Å; E596-A676 HydrophobicContact CG-CB 3.92Å; E596-A676 VanDerWaalsContact OE2-CB 3.29Å; E596-A676 WeakPolarHBondContact OE2-CB 3.24Å; K673-A676 PolarHBondContact O-N 3.5Å; K673-A676 VanDerWaalsContact O-N 3.11Å; R674-A676 PolarHBondContact O-N 3.37Å; A676-Q678 VanDerWaalsContact C-N 3.33Å; A676-Q678 PolarHBondContact O-N 3.1Å; A676-K679 PolarHBondContact O-N 3.42Å; A676-V680 WeakPolarHBondContact O-CG2 3.45Å; A676-V680 PolarHBondContact O-N 3.34Å; A676-V680 VanDerWaalsContact O-N 3.12Å
677	L	96	Very high	95.3	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-44.7	174.6	178.4	60.6	0	0	0	111.5	L593 L618 F648 W649 I672 K673 R674 V680 L681 F691	L593-L677 HydrophobicContact CD2-CD1 3.9Å; L618-L677 HydrophobicContact CD2-CD2 3.73Å; F648-L677 HydrophobicContact CD2-CD2 4.42Å; W649-L677 HydrophobicContact CE3-CD2 4.35Å; W649-L677 HydrophobicContact CZ3-CD2 4.22Å; I672-L677 HydrophobicContact CD1-CB 4.11Å; I672-L677 HydrophobicContact CD1-CD1 4.27Å; I672-L677 HydrophobicContact CG1-CB 4.18Å; I672-L677 HydrophobicContact CG2-CB 4.43Å; I672-L677 HydrophobicContact CG2-CD2 4.25Å; K673-L677 PolarHBondContact O-N 3.37Å; R674-L677 PolarHBondContact O-N 2.95Å; L677-V680 PolarHBondContact O-N 2.97Å; L677-L681 HydrophobicContact CD1-CD1 3.91Å; L677-L681 HydrophobicContact CD1-CD2 4.41Å; L677-L681 HydrophobicContact CD1-CG 3.97Å; L677-L681 HydrophobicContact CD2-CD1 4.47Å; L677-L681 HydrophobicContact CG-CD1 3.79Å; L677-L681 HydrophobicContact CG-CG 4.28Å; L677-L681 VanDerWaalsContact O-CG 3.26Å; L677-L681 WeakPolarHBondContact O-CG 3.4Å; L677-L681 PolarHBondContact O-N 2.92Å; L677-F691 HydrophobicContact CD1-CE1 4.14Å; L677-F691 HydrophobicContact CD1-CZ 4.02Å; L677-F691 HydrophobicContact CD2-CE1 4.17Å; L677-F691 HydrophobicContact CD2-CZ 4.23Å
678	Q	94.6	Very high	95.4	Very high	35 Å²	35	49.2 Å²	49.2	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-50.7	176.9	-77.8	177	-29.4	0	0	111.7	F648 R674 A676 V680 L681 E682	F648-Q678 PolarHBondContact O-NE2 2.72Å; R674-Q678 HydrophobicContact CG-CG 4.35Å; R674-Q678 WeakPolarHBondContact O-CB 3.22Å; R674-Q678 WeakPolarHBondContact O-CG 3.36Å; R674-Q678 PolarHBondContact O-N 3.08Å; A676-Q678 VanDerWaalsContact C-N 3.33Å; A676-Q678 PolarHBondContact O-N 3.1Å; Q678-V680 VanDerWaalsContact C-N 3.27Å; Q678-V680 PolarHBondContact O-N 3.44Å; Q678-L681 PolarHBondContact O-N 3.28Å; Q678-L681 VanDerWaalsContact O-N 3.12Å; Q678-E682 WeakPolarHBondContact O-CB 3.38Å; Q678-E682 VanDerWaalsContact O-CG 3.28Å; Q678-E682 WeakPolarHBondContact O-CG 3.19Å; Q678-E682 PolarHBondContact O-N 3.01Å
679	K	96	Very high	95.4	Very high	136 Å²	136	53.9 Å²	53.9	59%	0.591	27%	0.271	S	S	*	.	H	α-helix	trans	-55.8	-39.5	176	-70.4	163.1	-165.2	160.4	0	113.1	D675 A676 F683	D675-K679 WeakPolarHBondContact O-CD 3.29Å; D675-K679 WeakPolarHBondContact O-CE 3.47Å; D675-K679 WeakPolarHBondContact O-CG 3.47Å; A676-K679 PolarHBondContact O-N 3.42Å; K679-F683 WeakPolarHBondContact O-CB 3.3Å; K679-F683 PolarHBondContact O-N 3.33Å
680	V	96.6	Very high	95.4	Very high	14 Å²	14	54.5 Å²	54.5	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-72.6	-38.1	179.2	179.7	0	0	0	0	111.4	A592 L593 A676 L677 Q678 F683 Y684	A592-V680 HydrophobicContact CB-CG1 4.18Å; A592-V680 HydrophobicContact CB-CG2 4.39Å; L593-V680 HydrophobicContact CD2-CB 4.21Å; L593-V680 HydrophobicContact CD2-CG1 3.74Å; L593-V680 HydrophobicContact CG-CG1 3.89Å; A676-V680 WeakPolarHBondContact O-CG2 3.45Å; A676-V680 PolarHBondContact O-N 3.34Å; A676-V680 VanDerWaalsContact O-N 3.12Å; L677-V680 PolarHBondContact O-N 2.97Å; Q678-V680 VanDerWaalsContact C-N 3.27Å; Q678-V680 PolarHBondContact O-N 3.44Å; V680-F683 PolarHBondContact O-N 3.48Å; V680-Y684 HydrophobicContact CG1-CD2 3.82Å; V680-Y684 HydrophobicContact CG1-CE2 4.22Å; V680-Y684 WeakPolarHBondContact O-CB 3.36Å; V680-Y684 WeakPolarHBondContact O-CD2 3.37Å; V680-Y684 PolarHBondContact O-N 3.48Å
681	L	95.7	Very high	95.4	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-35.4	175	-65.8	172.9	0	0	0	112.5	W649 L677 Q678 Y684 T685 F687 S688 F691	W649-L681 HydrophobicContact CB-CD1 3.96Å; W649-L681 HydrophobicContact CD2-CD1 4.43Å; W649-L681 HydrophobicContact CE3-CD1 4.31Å; W649-L681 HydrophobicContact CG-CD1 4.31Å; L677-L681 HydrophobicContact CD1-CD1 3.91Å; L677-L681 HydrophobicContact CD1-CD2 4.41Å; L677-L681 HydrophobicContact CD1-CG 3.97Å; L677-L681 HydrophobicContact CD2-CD1 4.47Å; L677-L681 HydrophobicContact CG-CD1 3.79Å; L677-L681 HydrophobicContact CG-CG 4.28Å; L677-L681 VanDerWaalsContact O-CG 3.26Å; L677-L681 WeakPolarHBondContact O-CG 3.4Å; L677-L681 PolarHBondContact O-N 2.92Å; Q678-L681 PolarHBondContact O-N 3.28Å; Q678-L681 VanDerWaalsContact O-N 3.12Å; L681-Y684 CarbonylContact O-C 3.53Å; L681-Y684 VanDerWaalsContact O-C 3.31Å; L681-T685 PolarHBondContact O-N 2.88Å; L681-F687 HydrophobicContact CD2-CD1 4Å; L681-F687 HydrophobicContact CD2-CE1 4.06Å; L681-S688 WeakPolarHBondContact O-CB 3.4Å; L681-F691 HydrophobicContact CD1-CD1 3.91Å; L681-F691 HydrophobicContact CD1-CE1 3.94Å; L681-F691 HydrophobicContact CD2-CB 4.07Å; L681-F691 HydrophobicContact CD2-CD1 3.6Å; L681-F691 HydrophobicContact CD2-CE1 4.16Å; L681-F691 HydrophobicContact CD2-CG 3.9Å; L681-F691 HydrophobicContact CG-CD1 4.42Å
682	E	95.6	Very high	95.2	Very high	137 Å²	137	54.8 Å²	54.8	64%	0.64	28%	0.279	S	S	*	.	H	α-helix	trans	-65.4	-42	172.7	-74.4	165.9	-165.6	0	0	111.7	Q678 T685	Q678-E682 WeakPolarHBondContact O-CB 3.38Å; Q678-E682 VanDerWaalsContact O-CG 3.28Å; Q678-E682 WeakPolarHBondContact O-CG 3.19Å; Q678-E682 PolarHBondContact O-N 3.01Å; E682-T685 VanDerWaalsContact O-CG2 3.27Å; E682-T685 WeakPolarHBondContact O-CG2 3.31Å
683	F	96.6	Very high	95	Very high	156 Å²	156	63.6 Å²	63.6	68%	0.684	31%	0.313	S	S	*	.	H	α-helix	trans	-70.6	-38.8	176.6	-171.7	-89.8	0	0	0	112.4	K679 V680	K679-F683 WeakPolarHBondContact O-CB 3.3Å; K679-F683 PolarHBondContact O-N 3.33Å; V680-F683 PolarHBondContact O-N 3.48Å
684	Y	96.4	Very high	94.9	Very high	58 Å²	58	61.9 Å²	61.9	23%	0.227	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	61	178.1	-64	-72.7	0	0	0	111.9	G588 C589 A592 V680 L681 A686 F687 S688	G588-Y684 PolarHBondContact O-OH 3.48Å; C589-Y684 HydrophobicContact CB-CD1 4.15Å; C589-Y684 HydrophobicContact CB-CD2 3.82Å; C589-Y684 HydrophobicContact CB-CE1 4.18Å; C589-Y684 HydrophobicContact CB-CE2 3.85Å; C589-Y684 HydrophobicContact CB-CG 3.98Å; C589-Y684 VanDerWaalsContact SG-CD2 3.56Å; A592-Y684 HydrophobicContact CB-CE2 3.93Å; V680-Y684 HydrophobicContact CG1-CD2 3.82Å; V680-Y684 HydrophobicContact CG1-CE2 4.22Å; V680-Y684 WeakPolarHBondContact O-CB 3.36Å; V680-Y684 WeakPolarHBondContact O-CD2 3.37Å; V680-Y684 PolarHBondContact O-N 3.48Å; L681-Y684 CarbonylContact O-C 3.53Å; L681-Y684 VanDerWaalsContact O-C 3.31Å; Y684-A686 VanDerWaalsContact C-N 3.31Å; Y684-A686 PolarHBondContact O-N 2.87Å; Y684-A686 VanDerWaalsContact O-N 3.17Å; Y684-F687 WeakPolarHBondContact O-CA 3.37Å; Y684-F687 WeakPolarHBondContact O-CB 3.38Å; Y684-F687 PolarHBondContact O-N 3.22Å; Y684-S688 PolarHBondContact O-N 2.93Å
685	T	94.2	Very high	95	Very high	89 Å²	89	60.7 Å²	60.7	55%	0.546	30%	0.304	S	S	.	.	H	α-helix	trans	-47.7	-46.2	-177.2	57	0	0	0	0	114.1	L681 E682 F687 S688 H689	L681-T685 PolarHBondContact O-N 2.88Å; E682-T685 VanDerWaalsContact O-CG2 3.27Å; E682-T685 WeakPolarHBondContact O-CG2 3.31Å; T685-F687 VanDerWaalsContact C-N 3.31Å; T685-F687 PolarHBondContact O-N 3.06Å; T685-S688 VanDerWaalsContact O-CB 3.29Å; T685-S688 WeakPolarHBondContact O-CB 3.47Å; T685-S688 PolarHBondContact O-N 3.46Å; T685-H689 PolarHBondContact O-CD2 3.42Å; T685-H689 VanDerWaalsContact O-CD2 3.23Å; T685-H689 PolarHBondContact O-N 3.24Å
686	A	92.4	Very high	94.9	Very high	83 Å²	83	63.6 Å²	63.6	69%	0.686	32%	0.318	S	S	*	.	H	α-helix	trans	-62	-34.8	177.8	0	0	0	0	0	113.2	Y684	Y684-A686 VanDerWaalsContact C-N 3.31Å; Y684-A686 PolarHBondContact O-N 2.87Å; Y684-A686 VanDerWaalsContact O-N 3.17Å
687	F	95.7	Very high	94.9	Very high	12 Å²	12	64.3 Å²	64.3	5%	0.053	32%	0.321	C	S	.	.	H	α-helix	trans	-72.5	-36.7	172.3	175.7	-110.2	0	0	0	111.4	A581 F582 A585 C589 L593 L681 Y684 T685 H689 S690 F691	A581-F687 WeakPolarHBondContact O-CE2 3.32Å; F582-F687 HydrophobicContact CD1-CZ 4.05Å; A585-F687 HydrophobicContact CB-CD2 3.98Å; A585-F687 HydrophobicContact CB-CE2 3.57Å; A585-F687 HydrophobicContact CB-CZ 4Å; C589-F687 WeakPolarHBondContact SG-CD1 3.37Å; L593-F687 HydrophobicContact CD1-CE1 4.17Å; L593-F687 HydrophobicContact CD1-CZ 4.47Å; L681-F687 HydrophobicContact CD2-CD1 4Å; L681-F687 HydrophobicContact CD2-CE1 4.06Å; Y684-F687 WeakPolarHBondContact O-CA 3.37Å; Y684-F687 WeakPolarHBondContact O-CB 3.38Å; Y684-F687 PolarHBondContact O-N 3.22Å; T685-F687 VanDerWaalsContact C-N 3.31Å; T685-F687 PolarHBondContact O-N 3.06Å; F687-H689 PolarHBondContact O-N 2.99Å; F687-S690 CarbonylContact O-C 3.58Å; F687-S690 WeakPolarHBondContact O-CA 3.31Å; F687-S690 WeakPolarHBondContact O-CB 3.32Å; F687-S690 PolarHBondContact O-N 2.87Å; F687-F691 HydrophobicContact CD1-CB 4.34Å; F687-F691 HydrophobicContact CE1-CB 3.94Å; F687-F691 AromaticContact CE1-CD2 3.84Å; F687-F691 HydrophobicContact CE1-CD2 3.84Å; F687-F691 HydrophobicContact CE1-CG 4.07Å; F687-F691 HydrophobicContact CE2-CB 4.41Å; F687-F691 HydrophobicContact CZ-CB 3.98Å; F687-F691 AromaticContact CZ-CD2 3.63Å; F687-F691 HydrophobicContact CZ-CD2 3.63Å; F687-F691 HydrophobicContact CZ-CG 4.16Å; F687-F691 WeakPolarHBondContact O-CB 3.35Å; F687-F691 PolarHBondContact O-N 3.4Å
688	S	94.8	Very high	94.9	Very high	27 Å²	27	67.5 Å²	67.5	19%	0.189	34%	0.34	C	S	.	.	H	α-helix	trans	-55.1	-44.8	-179.3	-173.1	0	0	0	0	113.4	L681 Y684 T685 S690 F691 S692	L681-S688 WeakPolarHBondContact O-CB 3.4Å; Y684-S688 PolarHBondContact O-N 2.93Å; T685-S688 VanDerWaalsContact O-CB 3.29Å; T685-S688 WeakPolarHBondContact O-CB 3.47Å; T685-S688 PolarHBondContact O-N 3.46Å; S688-S690 PolarHBondContact O-N 3.2Å; S688-F691 PolarHBondContact O-N 2.95Å; S688-S692 WeakPolarHBondContact O-CB 3.36Å; S688-S692 PolarHBondContact O-N 2.93Å
689	H	92.9	Very high	95	Very high	145 Å²	145	66.6 Å²	66.6	67%	0.671	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-39.7	174.9	-64.7	-78.8	0	0	0	112.7	T685 F687 R693	T685-H689 PolarHBondContact O-CD2 3.42Å; T685-H689 VanDerWaalsContact O-CD2 3.23Å; T685-H689 PolarHBondContact O-N 3.24Å; F687-H689 PolarHBondContact O-N 2.99Å; H689-R693 PolarHBondContact O-N 2.89Å
690	S	94.4	Very high	94.9	Very high	14 Å²	14	61.2 Å²	61.2	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-45	176.1	-174.2	0	0	0	0	111.9	L584 F687 S688 S692 R693 N694	L584-S690 WeakPolarHBondContact CD1-OG 3.15Å; F687-S690 CarbonylContact O-C 3.58Å; F687-S690 WeakPolarHBondContact O-CA 3.31Å; F687-S690 WeakPolarHBondContact O-CB 3.32Å; F687-S690 PolarHBondContact O-N 2.87Å; S688-S690 PolarHBondContact O-N 3.2Å; S690-S692 VanDerWaalsContact C-N 3.35Å; S690-S692 PolarHBondContact O-N 3.17Å; S690-R693 PolarHBondContact O-N 2.85Å; S690-N694 VanDerWaalsContact O-CB 3.24Å; S690-N694 WeakPolarHBondContact O-CB 3.47Å; S690-N694 PolarHBondContact O-N 3.28Å; S690-N694 PolarHBondContact O-OD1 2.82Å; S690-N694 PolarHBondContact OG-ND2 2.84Å
691	F	95.8	Very high	94.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-45.2	176.6	-174.9	-104.4	0	0	0	111	A581 F582 L618 W649 L677 L681 F687 S688 R693 N694 L695	A581-F691 HydrophobicContact CB-CD2 3.95Å; A581-F691 HydrophobicContact CB-CE2 4.14Å; F582-F691 HydrophobicContact CD1-CE2 4.41Å; F582-F691 HydrophobicContact CE1-CD2 4.25Å; F582-F691 AromaticContact CE1-CE2 3.61Å; F582-F691 HydrophobicContact CE1-CE2 3.61Å; F582-F691 AromaticContact CZ-CE2 3.76Å; F582-F691 HydrophobicContact CZ-CE2 3.76Å; L618-F691 HydrophobicContact CD2-CZ 4.31Å; W649-F691 HydrophobicContact CD2-CD1 4.3Å; W649-F691 HydrophobicContact CD2-CE1 4.17Å; W649-F691 HydrophobicContact CE3-CD1 4.44Å; W649-F691 AromaticContact CE3-CE1 3.86Å; W649-F691 HydrophobicContact CE3-CE1 3.86Å; W649-F691 AromaticContact CH2-CE1 3.89Å; W649-F691 HydrophobicContact CH2-CE1 3.89Å; W649-F691 HydrophobicContact CZ2-CD1 4.38Å; W649-F691 HydrophobicContact CZ2-CE1 4.15Å; W649-F691 AromaticContact CZ3-CE1 3.74Å; W649-F691 HydrophobicContact CZ3-CE1 3.74Å; L677-F691 HydrophobicContact CD1-CE1 4.14Å; L677-F691 HydrophobicContact CD1-CZ 4.02Å; L677-F691 HydrophobicContact CD2-CE1 4.17Å; L677-F691 HydrophobicContact CD2-CZ 4.23Å; L681-F691 HydrophobicContact CD1-CD1 3.91Å; L681-F691 HydrophobicContact CD1-CE1 3.94Å; L681-F691 HydrophobicContact CD2-CB 4.07Å; L681-F691 HydrophobicContact CD2-CD1 3.6Å; L681-F691 HydrophobicContact CD2-CE1 4.16Å; L681-F691 HydrophobicContact CD2-CG 3.9Å; L681-F691 HydrophobicContact CG-CD1 4.42Å; F687-F691 HydrophobicContact CD1-CB 4.34Å; F687-F691 HydrophobicContact CE1-CB 3.94Å; F687-F691 AromaticContact CE1-CD2 3.84Å; F687-F691 HydrophobicContact CE1-CD2 3.84Å; F687-F691 HydrophobicContact CE1-CG 4.07Å; F687-F691 HydrophobicContact CE2-CB 4.41Å; F687-F691 HydrophobicContact CZ-CB 3.98Å; F687-F691 AromaticContact CZ-CD2 3.63Å; F687-F691 HydrophobicContact CZ-CD2 3.63Å; F687-F691 HydrophobicContact CZ-CG 4.16Å; F687-F691 WeakPolarHBondContact O-CB 3.35Å; F687-F691 PolarHBondContact O-N 3.4Å; S688-F691 PolarHBondContact O-N 2.95Å; F691-R693 PolarHBondContact O-N 3.23Å; F691-N694 PolarHBondContact O-N 3.04Å; F691-L695 HydrophobicContact CE1-CD2 3.78Å; F691-L695 HydrophobicContact CE2-CB 4.46Å; F691-L695 HydrophobicContact CE2-CD2 3.71Å; F691-L695 HydrophobicContact CZ-CD2 3.29Å; F691-L695 VanDerWaalsContact O-CB 3.27Å; F691-L695 WeakPolarHBondContact O-CB 3.4Å; F691-L695 PolarHBondContact O-N 2.9Å
692	S	93.8	Very high	94.7	Very high	28 Å²	28	62.3 Å²	62.3	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-20.8	-179.7	-175	0	0	0	0	115.4	W649 K650 S688 S690	W649-S692 VanDerWaalsContact CD1-CB 3.49Å; W649-S692 VanDerWaalsContact CD1-OG 3.23Å; W649-S692 VanDerWaalsContact NE1-CA 3.33Å; W649-S692 PolarHBondContact NE1-OG 3.28Å; W649-S692 VanDerWaalsContact NE1-OG 3.14Å; K650-S692 WeakPolarHBondContact CE-OG 3.36Å; K650-S692 PolarHBondContact NZ-O 3.19Å; K650-S692 VanDerWaalsContact NZ-O 3.08Å; S688-S692 WeakPolarHBondContact O-CB 3.36Å; S688-S692 PolarHBondContact O-N 2.93Å; S690-S692 VanDerWaalsContact C-N 3.35Å; S690-S692 PolarHBondContact O-N 3.17Å
693	R	92.9	Very high	94.5	Very high	186 Å²	186	62 Å²	62	70%	0.702	31%	0.312	S	S	*	.	H	α-helix	trans	-94.2	-38.9	173.3	-178	176.3	62.7	-158.9	-4.3	112.6	H689 S690 F691	H689-R693 PolarHBondContact O-N 2.89Å; S690-R693 PolarHBondContact O-N 2.85Å; F691-R693 PolarHBondContact O-N 3.23Å
694	N	94.3	Very high	94.3	Very high	43 Å²	43	61.2 Å²	61.2	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-91.9	-19	-170.9	-63.5	7.7	0	0	0	113.7	S690 F691	S690-N694 VanDerWaalsContact O-CB 3.24Å; S690-N694 WeakPolarHBondContact O-CB 3.47Å; S690-N694 PolarHBondContact O-N 3.28Å; S690-N694 PolarHBondContact O-OD1 2.82Å; S690-N694 PolarHBondContact OG-ND2 2.84Å; F691-N694 PolarHBondContact O-N 3.04Å
695	L	94.8	Very high	94.2	Very high	16 Å²	16	61.9 Å²	61.9	8%	0.084	31%	0.311	C	S	.	.			trans	-93.6	105.4	175.3	-173.7	58.9	0	0	0	111	A581 L618 F620 V643 W649 F691	A581-L695 HydrophobicContact CB-CB 3.77Å; A581-L695 HydrophobicContact CB-CD1 4.09Å; A581-L695 HydrophobicContact CB-CG 4.42Å; L618-L695 HydrophobicContact CD2-CD2 3.86Å; F620-L695 HydrophobicContact CE1-CD1 4.12Å; F620-L695 HydrophobicContact CZ-CD2 4.29Å; V643-L695 HydrophobicContact CB-CD1 4.41Å; V643-L695 HydrophobicContact CG1-CD1 4.27Å; V643-L695 HydrophobicContact CG2-CD1 4.06Å; W649-L695 HydrophobicContact CH2-CD2 3.6Å; W649-L695 HydrophobicContact CH2-CG 4.27Å; W649-L695 HydrophobicContact CZ2-CB 4.43Å; W649-L695 HydrophobicContact CZ2-CD2 4.2Å; W649-L695 HydrophobicContact CZ3-CD2 4.37Å; F691-L695 HydrophobicContact CE1-CD2 3.78Å; F691-L695 HydrophobicContact CE2-CB 4.46Å; F691-L695 HydrophobicContact CE2-CD2 3.71Å; F691-L695 HydrophobicContact CZ-CD2 3.29Å; F691-L695 VanDerWaalsContact O-CB 3.27Å; F691-L695 WeakPolarHBondContact O-CB 3.4Å; F691-L695 PolarHBondContact O-N 2.9Å
696	I	93.6	Very high	94.1	Very high	139 Å²	139	64.3 Å²	64.3	71%	0.713	33%	0.325	S	S	*	.			trans	-99.6	132.6	168.6	-56.9	174.1	0	0	0	107.1
697	L	95.3	Very high	94.1	Very high	25 Å²	25	63.7 Å²	63.7	13%	0.131	31%	0.307	C	S	.	.			trans	-81.3	130.7	170.6	-57.2	-178.4	0	0	0	109.2	L618 V643 V647 Y699 N700	L618-L697 HydrophobicContact CD1-CD2 3.49Å; L618-L697 VanDerWaalsContact CD1-CD2 3.49Å; V643-L697 HydrophobicContact CB-CD2 4.29Å; V643-L697 HydrophobicContact CG1-CD2 3.79Å; V643-L697 CarbonylContact O-C 3.38Å; V647-L697 HydrophobicContact CG2-CD1 3.63Å; V647-L697 HydrophobicContact CG2-CG 4.25Å; L697-Y699 VanDerWaalsContact C-N 3.28Å; L697-N700 HydrophobicContact CD1-CB 4.22Å
698	T	96.1	Very high	93.9	Very high	69 Å²	69	71.1 Å²	71.1	42%	0.423	34%	0.335	S	S	.	.	S	Bend	trans	-62.6	-39.2	169.8	-45.6	0	0	0	0	110.4	L638 D642 V643	L638-T698 HydrophobicContact CD2-CG2 3.79Å; D642-T698 WeakPolarHBondContact CA-OG1 3.32Å; D642-T698 HydrophobicContact CB-CG2 4.17Å; D642-T698 WeakPolarHBondContact CB-OG1 3.45Å; D642-T698 WeakPolarHBondContact OD1-CB 3.3Å; D642-T698 WeakPolarHBondContact OD1-CG2 3.3Å; D642-T698 PolarHBondContact OD1-OG1 3.12Å; V643-T698 PolarHBondContact N-OG1 2.87Å; V643-T698 PolarHBondContact O-N 3.36Å
699	Y	96.6	Very high	93.8	Very high	16 Å²	16	72.3 Å²	72.3	6%	0.063	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.3	172.3	-162.8	-82.2	0	0	0	111.7	V628 V635 A636 V643 F644 G645 L697 L701 I705	V628-Y699 HydrophobicContact CG1-CD1 4.13Å; V628-Y699 HydrophobicContact CG1-CD2 4.5Å; V628-Y699 HydrophobicContact CG1-CE1 3.82Å; V628-Y699 HydrophobicContact CG1-CE2 4.18Å; V628-Y699 HydrophobicContact CG1-CG 4.47Å; V628-Y699 HydrophobicContact CG2-CG 4.37Å; V635-Y699 HydrophobicContact CG2-CE2 3.87Å; A636-Y699 HydrophobicContact CB-CD2 3.59Å; A636-Y699 HydrophobicContact CB-CE2 4.07Å; A636-Y699 HydrophobicContact CB-CG 4.47Å; V643-Y699 PolarHBondContact O-N 3.42Å; F644-Y699 WeakPolarHBondContact CA-O 3.29Å; G645-Y699 PolarHBondContact N-O 3.15Å; L697-Y699 VanDerWaalsContact C-N 3.28Å; Y699-L701 HydrophobicContact CD1-CD2 3.84Å; Y699-L701 HydrophobicContact CD1-CG 4.49Å; Y699-L701 HydrophobicContact CE1-CD2 3.98Å; Y699-I705 HydrophobicContact CE2-CD1 3.78Å
700	N	95.6	Very high	93.8	Very high	23 Å²	23	71.4 Å²	71.4	12%	0.123	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.8	174.8	175	-79	0	0	0	109.8	G645 D646 L697 R702 K703	G645-N700 WeakPolarHBondContact O-CA 3.47Å; D646-N700 PolarHBondContact OD1-ND2 3.44Å; L697-N700 HydrophobicContact CD1-CB 4.22Å; N700-R702 VanDerWaalsContact C-N 3.33Å; N700-R702 PolarHBondContact O-N 2.98Å; N700-R702 WeakPolarHBondContact OD1-CB 3.45Å; N700-R702 PolarHBondContact OD1-N 3.1Å; N700-R702 VanDerWaalsContact OD1-N 3.13Å; N700-K703 HydrophobicContact CB-CD 4.45Å; N700-K703 PolarHBondContact O-N 2.98Å; N700-K703 WeakPolarHBondContact OD1-CG 3.39Å; N700-K703 PolarHBondContact OD1-N 3.47Å; N700-K703 VanDerWaalsContact OD1-N 3.08Å
701	L	94.8	Very high	93.6	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.1	-174.4	-67.1	177.8	0	0	0	113.8	Y609 V615 F644 G645 C658 V661 Y699 K703	Y609-L701 HydrophobicContact CD2-CD1 3.63Å; Y609-L701 HydrophobicContact CE2-CD1 4.14Å; Y609-L701 HydrophobicContact CG-CD1 4.03Å; V615-L701 HydrophobicContact CG1-CB 4.41Å; V615-L701 HydrophobicContact CG1-CD1 4.17Å; V615-L701 HydrophobicContact CG2-CB 3.73Å; V615-L701 HydrophobicContact CG2-CD1 4.06Å; F644-L701 HydrophobicContact CD2-CD1 4.27Å; G645-L701 PolarHBondContact O-N 3.03Å; C658-L701 WeakPolarHBondContact CB-O 3.29Å; C658-L701 PolarHBondContact N-O 3.07Å; V661-L701 HydrophobicContact CG2-CD1 4.38Å; V661-L701 HydrophobicContact CG2-CD2 3.67Å; Y699-L701 HydrophobicContact CD1-CD2 3.84Å; Y699-L701 HydrophobicContact CD1-CG 4.49Å; Y699-L701 HydrophobicContact CE1-CD2 3.98Å; L701-K703 VanDerWaalsContact C-N 3.31Å; L701-K703 PolarHBondContact O-N 3.27Å
702	R	93	Very high	93.4	Very high	43 Å²	43	77.2 Å²	77.2	16%	0.162	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.6	176.2	170.7	-172.2	-59.2	-118.2	-8.7	112.7	D646 E651 T653 A655 C658 N700	D646-R702 IonicContact OD1-NE 2.68Å; D646-R702 PolarHBondContact OD1-NE 2.92Å; D646-R702 IonicContact OD2-CZ 3.98Å; D646-R702 IonicContact OD2-NE 3.49Å; D646-R702 PolarHBondContact OD2-NE 3.2Å; D646-R702 IonicContact OD2-NH2 3.53Å; D646-R702 PolarHBondContact OD2-NH2 2.76Å; E651-R702 IonicContact OE1-NE 3.11Å; E651-R702 WeakPolarHBondContact OE2-CD 3.24Å; E651-R702 IonicContact OE2-CZ 3.87Å; E651-R702 IonicContact OE2-NE 3.51Å; E651-R702 PolarHBondContact OE2-NE 2.92Å; E651-R702 IonicContact OE2-NH1 2.72Å; E651-R702 PolarHBondContact OE2-NH1 3.29Å; T653-R702 PolarHBondContact O-NH2 3.46Å; T653-R702 PolarHBondContact OG1-NH1 3.47Å; T653-R702 VanDerWaalsContact OG1-NH1 3.09Å; A655-R702 HydrophobicContact CB-CB 3.85Å; A655-R702 HydrophobicContact CB-CG 3.71Å; A655-R702 VanDerWaalsContact CB-CZ 3.49Å; C658-R702 PolarHBondContact SG-O 3.05Å; N700-R702 VanDerWaalsContact C-N 3.33Å; N700-R702 PolarHBondContact O-N 2.98Å; N700-R702 WeakPolarHBondContact OD1-CB 3.45Å; N700-R702 PolarHBondContact OD1-N 3.1Å; N700-R702 VanDerWaalsContact OD1-N 3.13Å
703	K	91.6	Very high	93.3	Very high	129 Å²	129	78.8 Å²	78.8	56%	0.561	38%	0.379	S	S	*	.	S	Bend	trans	-91.6	120.2	-174.6	-71.1	174.5	-174.1	-178.6	0	111.5	N700 L701	N700-K703 HydrophobicContact CB-CD 4.45Å; N700-K703 PolarHBondContact O-N 2.98Å; N700-K703 WeakPolarHBondContact OD1-CG 3.39Å; N700-K703 PolarHBondContact OD1-N 3.47Å; N700-K703 VanDerWaalsContact OD1-N 3.08Å; L701-K703 VanDerWaalsContact C-N 3.31Å; L701-K703 PolarHBondContact O-N 3.27Å
704	R	92.1	Very high	93.2	Very high	141 Å²	141	76.6 Å²	76.6	53%	0.532	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-78.6	130.5	170.4	-168.8	177.7	-174.4	100	0.8	110.4	D631 C658	D631-R704 IonicContact OD1-CZ 3.11Å; D631-R704 IonicContact OD1-NH1 2.96Å; D631-R704 IonicContact OD1-NH2 3.96Å; D631-R704 PolarHBondContact OD1-NH2 3.43Å; D631-R704 IonicContact OD2-CZ 2.69Å; D631-R704 IonicContact OD2-NH2 2.75Å; D631-R704 PolarHBondContact OD2-NH2 2.97Å; C658-R704 HydrophobicContact CB-CB 4.19Å
705	I	93.2	Very high	93.1	Very high	72 Å²	72	80.7 Å²	80.7	37%	0.369	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-84.8	137.8	171.7	-59.7	175.2	0	0	0	107.7	Q630 V635 Y699 F707	Q630-I705 PolarHBondContact OE1-O 3.25Å; V635-I705 HydrophobicContact CB-CD1 4.1Å; V635-I705 HydrophobicContact CG2-CD1 4.46Å; Y699-I705 HydrophobicContact CE2-CD1 3.78Å; I705-F707 HydrophobicContact CB-CD1 4.49Å; I705-F707 HydrophobicContact CG2-CD1 4.17Å
706	V	91.9	Very high	92.9	Very high	140 Å²	140	82.6 Å²	82.6	85%	0.848	40%	0.396	S	S	*	.			trans	-105.5	103.5	-180	-178.7	0	0	0	0	108.7
707	F	93	Very high	92.7	Very high	70 Å²	70	81.9 Å²	81.9	31%	0.307	39%	0.389	S	S	.	.			trans	-129.2	-179.4	177.5	65	-88.4	0	0	0	111.1	Q630 D631 E633 V635 I705 K709	Q630-F707 HydrophobicContact CB-CE1 4.5Å; Q630-F707 HydrophobicContact CG-CE1 4.17Å; Q630-F707 WeakPolarHBondContact O-CZ 3.47Å; D631-F707 HydrophobicContact CB-CZ 4.04Å; E633-F707 HydrophobicContact CB-CE2 4.05Å; E633-F707 HydrophobicContact CB-CZ 4.04Å; E633-F707 HydrophobicContact CG-CE2 3.66Å; E633-F707 HydrophobicContact CG-CZ 4.08Å; V635-F707 HydrophobicContact CG1-CE1 4.07Å; I705-F707 HydrophobicContact CB-CD1 4.49Å; I705-F707 HydrophobicContact CG2-CD1 4.17Å; F707-K709 HydrophobicContact CE2-CG 4.46Å
708	R	92.1	Very high	92.3	Very high	167 Å²	167	85.7 Å²	85.7	63%	0.63	41%	0.407	S	S	*	.			trans	-139.4	139.7	171	-66.7	-179.1	170.2	-149.9	-5.7	108.8	V713 E716	R708-V713 HydrophobicContact CB-CG2 3.76Å; R708-E716 IonicContact CZ-OE2 3.48Å; R708-E716 IonicContact NH1-OE2 3.46Å; R708-E716 PolarHBondContact NH1-OE2 3.32Å
709	K	93.1	Very high	91.9	Very high	52 Å²	52	86.2 Å²	86.2	23%	0.226	40%	0.404	C	S	.	.			trans	-70.1	139.8	175.7	-55.1	-169.9	179.5	-138.3	0	110.1	D631 E633 F707 S711 D712 V713	D631-K709 WeakPolarHBondContact O-CE 3.43Å; D631-K709 PolarHBondContact O-NZ 3.44Å; E633-K709 HydrophobicContact CG-CD 4.3Å; E633-K709 HydrophobicContact CG-CG 4.26Å; E633-K709 VanDerWaalsContact OE1-CD 3.24Å; E633-K709 WeakPolarHBondContact OE1-CD 3.3Å; E633-K709 WeakPolarHBondContact OE1-CE 3.35Å; E633-K709 IonicContact OE1-NZ 3.48Å; E633-K709 PolarHBondContact OE1-NZ 3.33Å; F707-K709 HydrophobicContact CE2-CG 4.46Å; K709-S711 PolarHBondContact O-N 3.36Å; K709-D712 HydrophobicContact CB-CB 4.48Å; K709-D712 PolarHBondContact O-N 3.17Å; K709-D712 VanDerWaalsContact O-N 3.1Å; K709-V713 PolarHBondContact O-N 2.85Å
710	I	92.3	Very high	91.2	Very high	127 Å²	127	92.2 Å²	92.2	65%	0.651	43%	0.427	S	S	*	.	H	α-helix	trans	-62.9	-32.5	-177.3	-61.6	173.7	0	0	0	111.1	K714	I710-K714 HydrophobicContact CG2-CD 4.33Å; I710-K714 WeakPolarHBondContact O-CB 3.38Å; I710-K714 WeakPolarHBondContact O-CG 3.44Å; I710-K714 PolarHBondContact O-N 3.24Å
711	S	90.6	Very high	90.4	Very high	74 Å²	74	96.7 Å²	96.7	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-60.1	-48	171.6	44.8	0	0	0	0	112.7	K709 K714 R715	K709-S711 PolarHBondContact O-N 3.36Å; S711-K714 PolarHBondContact O-N 2.88Å; S711-R715 PolarHBondContact O-N 2.83Å
712	D	90.6	Very high	89.7	Confident	62 Å²	62	103.3 Å²	103.3	33%	0.332	48%	0.477	S	S	.	.	H	α-helix	trans	-68.2	-36.9	178.7	-66.4	-44.4	0	0	0	112.1	K709 R715 E716	K709-D712 HydrophobicContact CB-CB 4.48Å; K709-D712 PolarHBondContact O-N 3.17Å; K709-D712 VanDerWaalsContact O-N 3.1Å; D712-R715 PolarHBondContact O-N 3.18Å; D712-R715 IonicContact OD1-CZ 2.64Å; D712-R715 IonicContact OD1-NH1 2.69Å; D712-R715 PolarHBondContact OD1-NH1 3.43Å; D712-R715 IonicContact OD1-NH2 2.68Å; D712-R715 PolarHBondContact OD1-NH2 2.89Å; D712-E716 WeakPolarHBondContact O-CB 3.3Å; D712-E716 PolarHBondContact O-N 3.44Å
713	V	92.8	Very high	88.8	Confident	60 Å²	60	107 Å²	107	36%	0.364	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-44.7	174.2	175.2	0	0	0	0	111	R708 K709 R715 E716 E717	R708-V713 HydrophobicContact CB-CG2 3.76Å; K709-V713 PolarHBondContact O-N 2.85Å; V713-R715 VanDerWaalsContact C-N 3.34Å; V713-R715 PolarHBondContact O-N 3.4Å; V713-E716 PolarHBondContact O-N 3.08Å; V713-E717 WeakPolarHBondContact O-CB 3.49Å; V713-E717 PolarHBondContact O-N 2.92Å
714	K	91.1	Very high	87.6	Confident	141 Å²	141	108.1 Å²	108.1	61%	0.613	50%	0.496	S	S	*	.	H	α-helix	trans	-61.9	-40.2	174.9	-75.9	177.2	176.7	-176.7	0	112.1	I710 S711 E717 E718	I710-K714 HydrophobicContact CG2-CD 4.33Å; I710-K714 WeakPolarHBondContact O-CB 3.38Å; I710-K714 WeakPolarHBondContact O-CG 3.44Å; I710-K714 PolarHBondContact O-N 3.24Å; S711-K714 PolarHBondContact O-N 2.88Å; K714-E717 PolarHBondContact O-N 3.3Å; K714-E718 WeakPolarHBondContact O-CB 3.37Å; K714-E718 PolarHBondContact O-N 3.03Å
715	R	91.9	Very high	86.1	Confident	129 Å²	129	108.8 Å²	108.8	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-66.1	-42.1	175.1	-167.9	175.5	67.9	-107.6	-8.1	111.8	S711 D712 V713 E717 E718 E719	S711-R715 PolarHBondContact O-N 2.83Å; D712-R715 PolarHBondContact O-N 3.18Å; D712-R715 IonicContact OD1-CZ 2.64Å; D712-R715 IonicContact OD1-NH1 2.69Å; D712-R715 PolarHBondContact OD1-NH1 3.43Å; D712-R715 IonicContact OD1-NH2 2.68Å; D712-R715 PolarHBondContact OD1-NH2 2.89Å; V713-R715 VanDerWaalsContact C-N 3.34Å; V713-R715 PolarHBondContact O-N 3.4Å; R715-E717 VanDerWaalsContact C-N 3.29Å; R715-E717 PolarHBondContact O-N 2.99Å; R715-E718 PolarHBondContact O-N 2.94Å; R715-E719 WeakPolarHBondContact O-CB 3.35Å; R715-E719 WeakPolarHBondContact O-CG 3.2Å; R715-E719 PolarHBondContact O-N 3.26Å
716	E	89.4	Confident	84.5	Confident	55 Å²	55	111.9 Å²	111.9	26%	0.257	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-38.3	174.1	-160	-162.3	145.6	0	0	111.3	R708 D712 V713 R720	R708-E716 IonicContact CZ-OE2 3.48Å; R708-E716 IonicContact NH1-OE2 3.46Å; R708-E716 PolarHBondContact NH1-OE2 3.32Å; D712-E716 WeakPolarHBondContact O-CB 3.3Å; D712-E716 PolarHBondContact O-N 3.44Å; V713-E716 PolarHBondContact O-N 3.08Å; E716-R720 WeakPolarHBondContact O-CB 3.33Å; E716-R720 WeakPolarHBondContact O-CD 3.21Å; E716-R720 WeakPolarHBondContact O-CG 3.41Å; E716-R720 PolarHBondContact O-N 2.84Å; E716-R720 IonicContact OE1-CZ 2.81Å; E716-R720 IonicContact OE1-NE 2.74Å; E716-R720 PolarHBondContact OE1-NE 2.93Å; E716-R720 IonicContact OE1-NH2 3.26Å; E716-R720 PolarHBondContact OE1-NH2 2.87Å
717	E	88.9	Confident	82.8	Confident	124 Å²	124	109.4 Å²	109.4	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-69.9	-41.8	177.3	-173.2	159.5	-138.8	0	0	112.7	V713 K714 R715 R720 M721	V713-E717 WeakPolarHBondContact O-CB 3.49Å; V713-E717 PolarHBondContact O-N 2.92Å; K714-E717 PolarHBondContact O-N 3.3Å; R715-E717 VanDerWaalsContact C-N 3.29Å; R715-E717 PolarHBondContact O-N 2.99Å; E717-R720 WeakPolarHBondContact O-CB 3.29Å; E717-R720 PolarHBondContact O-N 3.47Å; E717-M721 VanDerWaalsContact O-CG 3.3Å; E717-M721 WeakPolarHBondContact O-CG 3.17Å; E717-M721 PolarHBondContact O-N 3.25Å
718	E	88.6	Confident	81.2	Confident	106 Å²	106	111.8 Å²	111.8	50%	0.495	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-43.7	172.8	-164.4	-163.4	136.1	0	0	111.6	K714 R715 M721 K722	K714-E718 WeakPolarHBondContact O-CB 3.37Å; K714-E718 PolarHBondContact O-N 3.03Å; R715-E718 PolarHBondContact O-N 2.94Å; E718-M721 PolarHBondContact O-N 2.9Å; E718-K722 WeakPolarHBondContact O-CG 3.22Å; E718-K722 PolarHBondContact O-N 3.11Å; E718-K722 WeakPolarHBondContact OE1-CE 3.48Å; E718-K722 IonicContact OE1-NZ 2.79Å; E718-K722 PolarHBondContact OE1-NZ 2.84Å
719	E	86.6	Confident	79.7	Confident	80 Å²	80	111.5 Å²	111.5	37%	0.374	55%	0.55	S	S	.	.	H	α-helix	trans	-64.1	-36.8	173.1	-76.4	178.5	-155.9	0	0	112.9	R715 M721 K722 R723	R715-E719 WeakPolarHBondContact O-CB 3.35Å; R715-E719 WeakPolarHBondContact O-CG 3.2Å; R715-E719 PolarHBondContact O-N 3.26Å; E719-M721 VanDerWaalsContact C-N 3.34Å; E719-K722 PolarHBondContact O-N 2.7Å; E719-R723 VanDerWaalsContact O-CB 3.29Å; E719-R723 WeakPolarHBondContact O-CB 3.3Å; E719-R723 VanDerWaalsContact O-CG 3.27Å; E719-R723 WeakPolarHBondContact O-CG 3.31Å; E719-R723 PolarHBondContact O-N 3Å; E719-R723 PolarHBondContact O-NE 2.9Å; E719-R723 IonicContact OE2-CZ 2.71Å; E719-R723 IonicContact OE2-NH2 3.29Å; E719-R723 PolarHBondContact OE2-NH2 3.08Å
720	R	82.7	Confident	78.1	Confident	142 Å²	142	116.7 Å²	116.7	54%	0.536	58%	0.578	S	S	.	*	H	α-helix	trans	-65.3	-39.1	173.2	-78.1	165.7	176.9	-141.8	6	111	E716 E717 R723 K724	E716-R720 WeakPolarHBondContact O-CB 3.33Å; E716-R720 WeakPolarHBondContact O-CD 3.21Å; E716-R720 WeakPolarHBondContact O-CG 3.41Å; E716-R720 PolarHBondContact O-N 2.84Å; E716-R720 IonicContact OE1-CZ 2.81Å; E716-R720 IonicContact OE1-NE 2.74Å; E716-R720 PolarHBondContact OE1-NE 2.93Å; E716-R720 IonicContact OE1-NH2 3.26Å; E716-R720 PolarHBondContact OE1-NH2 2.87Å; E717-R720 WeakPolarHBondContact O-CB 3.29Å; E717-R720 PolarHBondContact O-N 3.47Å; R720-R723 PolarHBondContact O-N 3.38Å; R720-K724 WeakPolarHBondContact O-CG 3.47Å; R720-K724 PolarHBondContact O-N 3.38Å; R720-K724 VanDerWaalsContact O-N 3.14Å
721	M	78.8	Confident	76.8	Confident	117 Å²	117	114.1 Å²	114.1	58%	0.576	57%	0.566	S	S	*	*	H	α-helix	trans	-66.7	-39.5	175.6	-70.6	-71.5	-85.7	0	0	111.6	E717 E718 E719 K724	E717-M721 VanDerWaalsContact O-CG 3.3Å; E717-M721 WeakPolarHBondContact O-CG 3.17Å; E717-M721 PolarHBondContact O-N 3.25Å; E718-M721 PolarHBondContact O-N 2.9Å; E719-M721 VanDerWaalsContact C-N 3.34Å; M721-K724 HydrophobicContact SD-CD 4.02Å; M721-K724 PolarHBondContact SD-NZ 3.39Å
722	K	79.5	Confident	75.8	Confident	138 Å²	138	114.3 Å²	114.3	60%	0.6	57%	0.565	S	S	*	*	H	α-helix	trans	-62.9	-44.8	171.2	-74.6	165.3	168.5	170.7	0	112.2	E718 E719 K724	E718-K722 WeakPolarHBondContact O-CG 3.22Å; E718-K722 PolarHBondContact O-N 3.11Å; E718-K722 WeakPolarHBondContact OE1-CE 3.48Å; E718-K722 IonicContact OE1-NZ 2.79Å; E718-K722 PolarHBondContact OE1-NZ 2.84Å; E719-K722 PolarHBondContact O-N 2.7Å; K722-K724 VanDerWaalsContact C-N 3.3Å; K722-K724 PolarHBondContact O-N 2.65Å
723	R	73.9	Confident	74.5	Confident	120 Å²	120	115.9 Å²	115.9	45%	0.453	58%	0.579	S	S	.	*	H	α-helix	trans	-75.7	-4.8	-178.5	-71.8	-175.8	-84.1	163	-15.9	115.4	E719 R720 N725 E726	E719-R723 VanDerWaalsContact O-CB 3.29Å; E719-R723 WeakPolarHBondContact O-CB 3.3Å; E719-R723 VanDerWaalsContact O-CG 3.27Å; E719-R723 WeakPolarHBondContact O-CG 3.31Å; E719-R723 PolarHBondContact O-N 3Å; E719-R723 PolarHBondContact O-NE 2.9Å; E719-R723 IonicContact OE2-CZ 2.71Å; E719-R723 IonicContact OE2-NH2 3.29Å; E719-R723 PolarHBondContact OE2-NH2 3.08Å; R720-R723 PolarHBondContact O-N 3.38Å; R723-N725 PolarHBondContact O-N 2.91Å; R723-N725 VanDerWaalsContact O-N 3.11Å; R723-E726 WeakPolarHBondContact CG-OE2 3.49Å; R723-E726 PolarHBondContact O-N 3.23Å; R723-E726 VanDerWaalsContact O-N 3.09Å
724	K	66.2	Low	73.1	Confident	153 Å²	153	118 Å²	118	67%	0.665	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-16.4	173.1	-85.6	175	-179.7	176.8	0	113.9	R720 M721 K722	R720-K724 WeakPolarHBondContact O-CG 3.47Å; R720-K724 PolarHBondContact O-N 3.38Å; R720-K724 VanDerWaalsContact O-N 3.14Å; M721-K724 HydrophobicContact SD-CD 4.02Å; M721-K724 PolarHBondContact SD-NZ 3.39Å; K722-K724 VanDerWaalsContact C-N 3.3Å; K722-K724 PolarHBondContact O-N 2.65Å
725	N	60.2	Low	72.5	Confident	156 Å²	156	114.2 Å²	114.2	83%	0.834	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	4.1	177.6	-65.8	-3.4	0	0	0	113.7	R723	R723-N725 PolarHBondContact O-N 2.91Å; R723-N725 VanDerWaalsContact O-N 3.11Å
726	E	59.7	Low	72.1	Confident	136 Å²	136	112.5 Å²	112.5	64%	0.636	58%	0.578	S	S	*	*	S	Bend	trans	-102.2	149.8	-179.2	-65.5	-173.3	157.8	0	0	112.7	R723	R723-E726 WeakPolarHBondContact CG-OE2 3.49Å; R723-E726 PolarHBondContact O-N 3.23Å; R723-E726 VanDerWaalsContact O-N 3.09Å
727	A	56.9	Low	71.6	Confident	89 Å²	89	113 Å²	113	74%	0.736	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-76.7	143.1	-179.4	0	0	0	0	0	112.5	L729	A727-L729 PolarHBondContact O-N 2.97Å
728	P	59.3	Low	71.2	Confident	120 Å²	120	113.6 Å²	113.6	78%	0.779	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-63	128.4	179	-23.8	34.4	0	0	0	113.8	I730	P728-I730 PolarHBondContact O-N 3.37Å; P728-I730 VanDerWaalsContact O-N 3.12Å
729	L	60.7	Low	70.8	Confident	160 Å²	160	115 Å²	115	84%	0.838	58%	0.582	S	S	*	*			trans	-72.3	100.6	176.5	-76.1	166.6	0	0	0	112	A727 L731	A727-L729 PolarHBondContact O-N 2.97Å; L729-L731 PolarHBondContact O-N 3.39Å
730	I	59.9	Low	70.7	Confident	161 Å²	161	115.3 Å²	115.3	83%	0.826	59%	0.586	S	S	*	*			trans	-83	98.3	174.3	-56.2	177.6	0	0	0	109.5	P728	P728-I730 PolarHBondContact O-N 3.37Å; P728-I730 VanDerWaalsContact O-N 3.12Å
731	L	63.9	Low	70.7	Confident	74 Å²	74	115.5 Å²	115.5	39%	0.387	59%	0.591	S	S	.	*			trans	-86.2	130.1	-178.8	-66.7	173.1	0	0	0	112.7	L729 H735 R738	L729-L731 PolarHBondContact O-N 3.39Å; L731-H735 HydrophobicContact CB-CB 4.37Å; L731-R738 PolarHBondContact O-NH1 3.05Å
732	P	71.1	Confident	70.8	Confident	78 Å²	78	115.5 Å²	115.5	51%	0.506	59%	0.59	S	S	.	*			trans	-53.4	155.5	175.9	-29	36.2	0	0	0	114.3	D734 H735	P732-D734 VanDerWaalsContact C-N 3.3Å; P732-D734 PolarHBondContact O-N 2.89Å; P732-H735 VanDerWaalsContact O-CB 3.26Å; P732-H735 WeakPolarHBondContact O-CB 3.29Å; P732-H735 PolarHBondContact O-N 2.72Å; P732-H735 VanDerWaalsContact O-N 3.16Å
733	P	62.7	Low	71	Confident	95 Å²	95	117.6 Å²	117.6	62%	0.617	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-37.5	-177.3	23.4	-33.5	0	0	0	113.3	H735	P733-H735 VanDerWaalsContact C-N 3.32Å; P733-H735 PolarHBondContact O-N 3.43Å
734	D	62.9	Low	71.4	Confident	104 Å²	104	117.5 Å²	117.5	56%	0.556	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	1.4	-179.6	-73.2	-63	0	0	0	115.2	P732 R739	P732-D734 VanDerWaalsContact C-N 3.3Å; P732-D734 PolarHBondContact O-N 2.89Å; D734-R739 IonicContact OD1-CZ 2.71Å; D734-R739 IonicContact OD1-NE 3.25Å; D734-R739 IonicContact OD1-NH2 3.21Å; D734-R739 PolarHBondContact OD1-NH2 3.36Å
735	H	79	Confident	72.3	Confident	62 Å²	62	118.1 Å²	118.1	29%	0.287	60%	0.595	S	S	.	*			trans	-57.9	130.5	-177.5	-166.9	-102.6	0	0	0	111.1	L731 P732 P733 V737 R738 R739	L731-H735 HydrophobicContact CB-CB 4.37Å; P732-H735 VanDerWaalsContact O-CB 3.26Å; P732-H735 WeakPolarHBondContact O-CB 3.29Å; P732-H735 PolarHBondContact O-N 2.72Å; P732-H735 VanDerWaalsContact O-N 3.16Å; P733-H735 VanDerWaalsContact C-N 3.32Å; P733-H735 PolarHBondContact O-N 3.43Å; H735-V737 PolarHBondContact O-N 2.92Å; H735-V737 VanDerWaalsContact O-N 3.11Å; H735-R738 HydrophobicContact CB-CB 4.49Å; H735-R738 WeakPolarHBondContact O-CA 3.41Å; H735-R738 WeakPolarHBondContact O-CB 3.4Å; H735-R738 PolarHBondContact O-N 2.93Å; H735-R739 PolarHBondContact O-N 2.81Å
736	P	82.8	Confident	73.4	Confident	93 Å²	93	115.9 Å²	115.9	60%	0.604	58%	0.58	S	S	*	*	H	α-helix	trans	-59	-33.7	-169.9	19.9	-32.7	0	0	0	113.4	R738 R739 L740	P736-R738 VanDerWaalsContact C-N 3.32Å; P736-R738 PolarHBondContact O-N 3.07Å; P736-R739 PolarHBondContact O-N 2.88Å; P736-L740 WeakPolarHBondContact O-CB 3.45Å; P736-L740 PolarHBondContact O-N 2.91Å
737	V	79.9	Confident	74.5	Confident	65 Å²	65	114.3 Å²	114.3	39%	0.394	57%	0.572	S	S	.	*	H	α-helix	trans	-62.6	-36.6	174.4	-179.6	0	0	0	0	111.9	H735 L740 F741	H735-V737 PolarHBondContact O-N 2.92Å; H735-V737 VanDerWaalsContact O-N 3.11Å; V737-L740 WeakPolarHBondContact O-CB 3.33Å; V737-L740 PolarHBondContact O-N 2.64Å; V737-F741 HydrophobicContact CG1-CD2 3.85Å; V737-F741 HydrophobicContact CG1-CE2 3.74Å; V737-F741 VanDerWaalsContact O-CD2 3.31Å; V737-F741 WeakPolarHBondContact O-CD2 3.41Å; V737-F741 PolarHBondContact O-N 3.04Å
738	R	79.9	Confident	75.6	Confident	136 Å²	136	116.9 Å²	116.9	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-69.6	-41.7	178.2	-168.7	172.7	-179.1	153.2	0.1	111.2	L731 H735 P736 L740 F741 Q742	L731-R738 PolarHBondContact O-NH1 3.05Å; H735-R738 HydrophobicContact CB-CB 4.49Å; H735-R738 WeakPolarHBondContact O-CA 3.41Å; H735-R738 WeakPolarHBondContact O-CB 3.4Å; H735-R738 PolarHBondContact O-N 2.93Å; P736-R738 VanDerWaalsContact C-N 3.32Å; P736-R738 PolarHBondContact O-N 3.07Å; R738-L740 VanDerWaalsContact C-N 3.3Å; R738-L740 PolarHBondContact O-N 2.99Å; R738-F741 PolarHBondContact O-N 3.17Å; R738-Q742 WeakPolarHBondContact O-CB 3.45Å; R738-Q742 PolarHBondContact O-N 3.41Å
739	R	79.6	Confident	76.7	Confident	136 Å²	136	115.6 Å²	115.6	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-61.8	-36.1	171.1	-66.5	-179.3	172.8	-164.5	-0.8	111.9	D734 H735 P736 Q742 R743	D734-R739 IonicContact OD1-CZ 2.71Å; D734-R739 IonicContact OD1-NE 3.25Å; D734-R739 IonicContact OD1-NH2 3.21Å; D734-R739 PolarHBondContact OD1-NH2 3.36Å; H735-R739 PolarHBondContact O-N 2.81Å; P736-R739 PolarHBondContact O-N 2.88Å; R739-Q742 PolarHBondContact O-N 2.69Å; R739-R743 WeakPolarHBondContact O-CG 3.46Å; R739-R743 PolarHBondContact O-N 2.91Å
740	L	84.2	Confident	77.4	Confident	87 Å²	87	111 Å²	111	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-67.1	-46.5	174.7	-178	62.3	0	0	0	112.4	P736 V737 R738 Q742 R743 F744	P736-L740 WeakPolarHBondContact O-CB 3.45Å; P736-L740 PolarHBondContact O-N 2.91Å; V737-L740 WeakPolarHBondContact O-CB 3.33Å; V737-L740 PolarHBondContact O-N 2.64Å; R738-L740 VanDerWaalsContact C-N 3.3Å; R738-L740 PolarHBondContact O-N 2.99Å; L740-Q742 VanDerWaalsContact C-N 3.28Å; L740-Q742 PolarHBondContact O-N 2.83Å; L740-R743 PolarHBondContact O-N 3.19Å; L740-F744 HydrophobicContact CD1-CD2 4.05Å; L740-F744 HydrophobicContact CD1-CE2 3.68Å; L740-F744 HydrophobicContact CD1-CZ 4.41Å; L740-F744 HydrophobicContact CD2-CE2 4.18Å; L740-F744 HydrophobicContact CG-CD2 3.94Å; L740-F744 HydrophobicContact CG-CE2 3.72Å; L740-F744 WeakPolarHBondContact O-CD2 3.44Å; L740-F744 PolarHBondContact O-N 2.99Å
741	F	82.6	Confident	77.9	Confident	145 Å²	145	111.3 Å²	111.3	64%	0.636	53%	0.526	S	S	*	.	H	α-helix	trans	-59.9	-37.7	172.9	-86.6	-70.6	0	0	0	112.4	V737 R738 F744 R745	V737-F741 HydrophobicContact CG1-CD2 3.85Å; V737-F741 HydrophobicContact CG1-CE2 3.74Å; V737-F741 VanDerWaalsContact O-CD2 3.31Å; V737-F741 WeakPolarHBondContact O-CD2 3.41Å; V737-F741 PolarHBondContact O-N 3.04Å; R738-F741 PolarHBondContact O-N 3.17Å; F741-F744 PolarHBondContact O-N 3.36Å; F741-R745 WeakPolarHBondContact O-CB 3.29Å; F741-R745 PolarHBondContact O-N 2.93Å
742	Q	81.8	Confident	78.3	Confident	117 Å²	117	111.5 Å²	111.5	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-41	175.7	-167.6	171.6	6.4	0	0	112	R738 R739 L740 R745 Q746	R738-Q742 WeakPolarHBondContact O-CB 3.45Å; R738-Q742 PolarHBondContact O-N 3.41Å; R739-Q742 PolarHBondContact O-N 2.69Å; L740-Q742 VanDerWaalsContact C-N 3.28Å; L740-Q742 PolarHBondContact O-N 2.83Å; Q742-R745 PolarHBondContact O-N 2.91Å; Q742-Q746 WeakPolarHBondContact O-CG 3.29Å; Q742-Q746 PolarHBondContact O-N 2.97Å
743	R	83.3	Confident	78.1	Confident	183 Å²	183	110.6 Å²	110.6	69%	0.691	53%	0.526	S	S	*	.	H	α-helix	trans	-62.4	-46.6	171.8	-75.7	179.2	174.8	-177.7	-1.8	112.5	R739 L740 R745 Q746 Q747	R739-R743 WeakPolarHBondContact O-CG 3.46Å; R739-R743 PolarHBondContact O-N 2.91Å; L740-R743 PolarHBondContact O-N 3.19Å; R743-R745 VanDerWaalsContact C-N 3.28Å; R743-R745 PolarHBondContact O-N 3.48Å; R743-Q746 PolarHBondContact O-N 3.42Å; R743-Q747 WeakPolarHBondContact O-CB 3.43Å; R743-Q747 PolarHBondContact O-N 3.29Å
744	F	83	Confident	78.3	Confident	117 Å²	117	109.4 Å²	109.4	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-36.6	176	-82.3	-58.2	0	0	0	112.4	L740 F741 Q747 K748	L740-F744 HydrophobicContact CD1-CD2 4.05Å; L740-F744 HydrophobicContact CD1-CE2 3.68Å; L740-F744 HydrophobicContact CD1-CZ 4.41Å; L740-F744 HydrophobicContact CD2-CE2 4.18Å; L740-F744 HydrophobicContact CG-CD2 3.94Å; L740-F744 HydrophobicContact CG-CE2 3.72Å; L740-F744 WeakPolarHBondContact O-CD2 3.44Å; L740-F744 PolarHBondContact O-N 2.99Å; F741-F744 PolarHBondContact O-N 3.36Å; F744-Q747 PolarHBondContact O-N 3.03Å; F744-K748 WeakPolarHBondContact O-CB 3.31Å; F744-K748 PolarHBondContact O-N 3.24Å
745	R	84.8	Confident	78	Confident	166 Å²	166	110.6 Å²	110.6	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-48.8	174.7	-178.1	169.4	-178.1	159.2	2.9	111.7	F741 Q742 R743 Q747 K748 E749	F741-R745 WeakPolarHBondContact O-CB 3.29Å; F741-R745 PolarHBondContact O-N 2.93Å; Q742-R745 PolarHBondContact O-N 2.91Å; R743-R745 VanDerWaalsContact C-N 3.28Å; R743-R745 PolarHBondContact O-N 3.48Å; R745-Q747 VanDerWaalsContact C-N 3.31Å; R745-Q747 PolarHBondContact O-N 3.45Å; R745-K748 WeakPolarHBondContact O-CB 3.4Å; R745-K748 PolarHBondContact O-N 3.24Å; R745-E749 HydrophobicContact CG-CG 4.48Å; R745-E749 VanDerWaalsContact CG-OE1 3.23Å; R745-E749 WeakPolarHBondContact CG-OE1 3.43Å; R745-E749 IonicContact CZ-OE1 2.65Å; R745-E749 IonicContact NE-OE1 3.21Å; R745-E749 PolarHBondContact NE-OE1 3.21Å; R745-E749 IonicContact NH2-OE1 2.67Å; R745-E749 WeakPolarHBondContact O-CB 3.5Å; R745-E749 WeakPolarHBondContact O-CG 3.45Å; R745-E749 PolarHBondContact O-N 2.8Å
746	Q	83.9	Confident	76.5	Confident	109 Å²	109	117.3 Å²	117.3	51%	0.509	55%	0.549	S	S	.	.	H	α-helix	trans	-58.8	-41.2	174	-73.1	170.1	-26.7	0	0	112	Q742 R743 E749 A750	Q742-Q746 WeakPolarHBondContact O-CG 3.29Å; Q742-Q746 PolarHBondContact O-N 2.97Å; R743-Q746 PolarHBondContact O-N 3.42Å; Q746-E749 PolarHBondContact O-N 2.83Å; Q746-A750 VanDerWaalsContact O-CB 3.28Å; Q746-A750 WeakPolarHBondContact O-CB 3.46Å; Q746-A750 PolarHBondContact O-N 3.49Å
747	Q	83.4	Confident	74.6	Confident	103 Å²	103	115.9 Å²	115.9	48%	0.481	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-35.7	177.6	-166.2	179.5	29	0	0	112.4	R743 F744 R745 R751	R743-Q747 WeakPolarHBondContact O-CB 3.43Å; R743-Q747 PolarHBondContact O-N 3.29Å; F744-Q747 PolarHBondContact O-N 3.03Å; R745-Q747 VanDerWaalsContact C-N 3.31Å; R745-Q747 PolarHBondContact O-N 3.45Å; Q747-R751 WeakPolarHBondContact O-CG 3.19Å; Q747-R751 PolarHBondContact O-N 2.98Å
748	K	80	Confident	72.7	Confident	143 Å²	143	116 Å²	116	62%	0.622	57%	0.567	S	S	*	*	H	α-helix	trans	-66.7	-46.4	171.9	-177.1	-178	179.9	-178.9	0	111.3	F744 R745 A750 R751 L752	F744-K748 WeakPolarHBondContact O-CB 3.31Å; F744-K748 PolarHBondContact O-N 3.24Å; R745-K748 WeakPolarHBondContact O-CB 3.4Å; R745-K748 PolarHBondContact O-N 3.24Å; K748-A750 VanDerWaalsContact C-N 3.33Å; K748-A750 PolarHBondContact O-N 3.46Å; K748-R751 PolarHBondContact O-N 2.84Å; K748-L752 HydrophobicContact CG-CD1 3.98Å; K748-L752 WeakPolarHBondContact O-CB 3.39Å; K748-L752 VanDerWaalsContact O-CG 3.31Å; K748-L752 WeakPolarHBondContact O-CG 3.21Å; K748-L752 PolarHBondContact O-N 3.36Å
749	E	82.4	Confident	70.7	Confident	94 Å²	94	119.7 Å²	119.7	44%	0.439	58%	0.58	S	S	.	*	H	α-helix	trans	-64.1	-38.3	178.8	-72.5	162.9	179.4	0	0	111	R745 Q746 L752 A753	R745-E749 HydrophobicContact CG-CG 4.48Å; R745-E749 VanDerWaalsContact CG-OE1 3.23Å; R745-E749 WeakPolarHBondContact CG-OE1 3.43Å; R745-E749 IonicContact CZ-OE1 2.65Å; R745-E749 IonicContact NE-OE1 3.21Å; R745-E749 PolarHBondContact NE-OE1 3.21Å; R745-E749 IonicContact NH2-OE1 2.67Å; R745-E749 WeakPolarHBondContact O-CB 3.5Å; R745-E749 WeakPolarHBondContact O-CG 3.45Å; R745-E749 PolarHBondContact O-N 2.8Å; Q746-E749 PolarHBondContact O-N 2.83Å; E749-L752 PolarHBondContact O-N 3.27Å; E749-A753 WeakPolarHBondContact O-CB 3.38Å; E749-A753 PolarHBondContact O-N 3.46Å
750	A	73.9	Confident	68.6	Low	62 Å²	62	119.8 Å²	119.8	51%	0.512	59%	0.591	S	S	.	*	H	α-helix	trans	-67	-40.6	172.5	0	0	0	0	0	113.6	Q746 K748 A753 A754	Q746-A750 VanDerWaalsContact O-CB 3.28Å; Q746-A750 WeakPolarHBondContact O-CB 3.46Å; Q746-A750 PolarHBondContact O-N 3.49Å; K748-A750 VanDerWaalsContact C-N 3.33Å; K748-A750 PolarHBondContact O-N 3.46Å; A750-A753 PolarHBondContact O-N 3.4Å; A750-A754 PolarHBondContact O-N 3.37Å
751	R	71.2	Confident	66.4	Low	169 Å²	169	123.1 Å²	123.1	64%	0.638	61%	0.608	S	S	*	*	H	α-helix	trans	-62.6	-46.1	173.1	-79.5	-179.3	175	-174.2	-1.6	111.6	Q747 K748 A753 A754 E755	Q747-R751 WeakPolarHBondContact O-CG 3.19Å; Q747-R751 PolarHBondContact O-N 2.98Å; K748-R751 PolarHBondContact O-N 2.84Å; R751-A753 VanDerWaalsContact C-N 3.26Å; R751-A753 PolarHBondContact O-N 3.38Å; R751-A754 PolarHBondContact O-N 3.47Å; R751-A754 VanDerWaalsContact O-N 3.15Å; R751-E755 WeakPolarHBondContact O-CG 3.21Å; R751-E755 PolarHBondContact O-N 2.95Å
752	L	72.4	Confident	64.2	Low	77 Å²	77	124.5 Å²	124.5	40%	0.403	62%	0.623	S	S	.	*	H	α-helix	trans	-64.9	-28.2	176.6	-70.2	168.1	0	0	0	112.8	K748 E749 R756	K748-L752 HydrophobicContact CG-CD1 3.98Å; K748-L752 WeakPolarHBondContact O-CB 3.39Å; K748-L752 VanDerWaalsContact O-CG 3.31Å; K748-L752 WeakPolarHBondContact O-CG 3.21Å; K748-L752 PolarHBondContact O-N 3.36Å; E749-L752 PolarHBondContact O-N 3.27Å; L752-R756 WeakPolarHBondContact O-CG 3.48Å; L752-R756 PolarHBondContact O-N 3.47Å
753	A	67.8	Low	61.9	Low	59 Å²	59	126.2 Å²	126.2	49%	0.488	64%	0.636	S	S	.	*	H	α-helix	trans	-70.9	-43	171.3	0	0	0	0	0	111.7	E749 A750 R751 R756 G757	E749-A753 WeakPolarHBondContact O-CB 3.38Å; E749-A753 PolarHBondContact O-N 3.46Å; A750-A753 PolarHBondContact O-N 3.4Å; R751-A753 VanDerWaalsContact C-N 3.26Å; R751-A753 PolarHBondContact O-N 3.38Å; A753-R756 PolarHBondContact O-N 3.03Å; A753-G757 PolarHBondContact O-N 2.83Å
754	A	65.4	Low	59.7	Low	71 Å²	71	125.7 Å²	125.7	59%	0.587	65%	0.646	S	S	*	*	H	α-helix	trans	-63.6	-41.7	175.2	0	0	0	0	0	112.5	A750 R751 R756 G757 G758	A750-A754 PolarHBondContact O-N 3.37Å; R751-A754 PolarHBondContact O-N 3.47Å; R751-A754 VanDerWaalsContact O-N 3.15Å; A754-R756 PolarHBondContact O-N 2.66Å; A754-G757 PolarHBondContact O-N 3.19Å; A754-G758 PolarHBondContact O-N 3.5Å
755	E	56.4	Low	57.4	Low	129 Å²	129	127.7 Å²	127.7	60%	0.603	66%	0.662	S	S	*	*	H	α-helix	trans	-64.7	-19.7	174.7	-72.5	173.9	176.1	0	0	113.7	R751	R751-E755 WeakPolarHBondContact O-CG 3.21Å; R751-E755 PolarHBondContact O-N 2.95Å
756	R	48.3	Very low	55.6	Low	202 Å²	202	125.9 Å²	125.9	76%	0.762	67%	0.669	S	S	*	*	H	α-helix	trans	-89.9	-40	171.8	-73.5	176.6	-178.8	-161.7	-0.9	112.5	L752 A753 A754 G758 R759	L752-R756 WeakPolarHBondContact O-CG 3.48Å; L752-R756 PolarHBondContact O-N 3.47Å; A753-R756 PolarHBondContact O-N 3.03Å; A754-R756 PolarHBondContact O-N 2.66Å; R756-G758 PolarHBondContact O-N 3.24Å; R756-R759 PolarHBondContact O-N 3.37Å
757	G	42.3	Very low	53.1	Low	64 Å²	64	130 Å²	130	66%	0.66	69%	0.688	S	S	*	*	H	α-helix	trans	-67.4	-12.3	177.5	0	0	0	0	0	114.6	A753 A754 R759	A753-G757 PolarHBondContact O-N 2.83Å; A754-G757 PolarHBondContact O-N 3.19Å; G757-R759 VanDerWaalsContact C-N 3.32Å
758	G	39.5	Very low	50.7	Low	68 Å²	68	133.8 Å²	133.8	70%	0.701	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	12.5	170.7	0	0	0	0	0	115.2	A754 R756	A754-G758 PolarHBondContact O-N 3.5Å; R756-G758 PolarHBondContact O-N 3.24Å
759	R	39.2	Very low	48.2	Very low	212 Å²	212	130.9 Å²	130.9	80%	0.8	71%	0.714	S	S	*	*			trans	-124.9	83.2	178.6	-62.1	-170	-169	-160.1	1.4	111.6	R756 G757	R756-R759 PolarHBondContact O-N 3.37Å; G757-R759 VanDerWaalsContact C-N 3.32Å
760	D	35.2	Very low	45.6	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	73%	0.727	S	S	*	*			trans	-107.8	132	165.3	-92	-42.2	0	0	0	110.7
761	L	38.4	Very low	43.5	Very low	157 Å²	157	136.7 Å²	136.7	82%	0.822	74%	0.744	S	S	*	*	S	Bend	trans	47.9	71.9	142.5	-60.6	162.4	0	0	0	118.4
762	D	35.9	Very low	41.4	Very low	174 Å²	174	135.9 Å²	135.9	93%	0.93	75%	0.751	S	S	*	*			trans	-170	29.7	143.6	-109.3	-6	0	0	0	114.9
763	D	34.3	Very low	39.3	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	77%	0.77	S	S	*	*			trans	-134.3	83.9	178.5	-159.8	2.9	0	0	0	110.8
764	L	36.3	Very low	37.3	Very low	172 Å²	172	143.1 Å²	143.1	90%	0.901	78%	0.782	S	S	*	*			trans	-132.4	36.9	177.8	-108.2	178.7	0	0	0	111
765	D	34	Very low	35.5	Very low	159 Å²	159	148.1 Å²	148.1	85%	0.85	79%	0.793	S	S	*	*			trans	-79.9	147.7	176	-119.8	-29.9	0	0	0	112.2
766	V	46.9	Very low	34	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	80%	0.8	S	S	*	*			trans	-100.4	113.4	-164.1	176.4	0	0	0	0	111.8
767	E	31.4	Very low	33	Very low	196 Å²	196	142.1 Å²	142.1	92%	0.916	80%	0.802	S	S	*	*			trans	-155.1	127.6	142.8	-122	171.7	-151.1	0	0	112.2
768	K	33.3	Very low	32.3	Very low	182 Å²	182	142.7 Å²	142.7	79%	0.791	80%	0.8	S	S	*	*			trans	-134.1	90.9	-174.8	-168	-180	-177.1	-177.9	0	111.3	N770	K768-N770 PolarHBondContact O-N 2.87Å
769	G	27.8	Very low	31.7	Very low	82 Å²	82	146.5 Å²	146.5	85%	0.845	80%	0.804	S	S	*	*			trans	-70.3	118.5	170.5	0	0	0	0	0	111.5
770	N	27.9	Very low	31.2	Very low	134 Å²	134	144.3 Å²	144.3	72%	0.717	80%	0.803	S	S	*	*			trans	-77.6	137.7	174.7	-82.2	-19.4	0	0	0	111.7	K768	K768-N770 PolarHBondContact O-N 2.87Å
771	V	29.1	Very low	30.8	Very low	144 Å²	144	141.6 Å²	141.6	87%	0.873	80%	0.795	S	S	*	*			trans	-133.3	136.5	148.7	-178.4	0	0	0	0	107.9
772	L	27.3	Very low	30.3	Very low	151 Å²	151	141.7 Å²	141.7	79%	0.791	80%	0.796	S	S	*	*			trans	-109	136.7	-177.2	-82.6	157	0	0	0	110.9
773	T	27.7	Very low	30	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	79%	0.791	S	S	*	*			trans	-180	128.9	148.7	30	0	0	0	0	105.1
774	E	26.2	Very low	29.7	Very low	157 Å²	157	143.9 Å²	143.9	73%	0.734	79%	0.794	S	S	*	*			cis	139.4	120.2	2.2	-103.9	-157.7	154.4	0	0	106.2
775	H	27.5	Very low	29.2	Very low	176 Å²	176	140 Å²	140	82%	0.815	79%	0.787	S	S	*	*			trans	61.5	154.7	164.5	-64.4	-74.4	0	0	0	119.1
776	A	25.9	Very low	28.8	Very low	92 Å²	92	137.4 Å²	137.4	76%	0.76	78%	0.781	S	S	*	*			cis	-136.1	173.8	12.5	0	0	0	0	0	115.1
777	S	25.7	Very low	27.9	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	78%	0.781	S	S	*	*			trans	-63.3	170.4	177.2	55.6	0	0	0	0	114.4
778	A	28.1	Very low	27.6	Very low	75 Å²	75	133.7 Å²	133.7	62%	0.62	77%	0.772	S	S	*	*			cis	-166.4	164.8	32.5	0	0	0	0	0	114.3
779	N	28.1	Very low	27.4	Very low	148 Å²	148	131 Å²	131	79%	0.791	77%	0.77	S	S	*	*			trans	46.6	145.5	146.2	-54.9	-9.2	0	0	0	120.7
780	H	27.6	Very low	27.3	Very low	167 Å²	167	132.8 Å²	132.8	77%	0.773	77%	0.765	S	S	*	*			cis	-152.4	173.8	24.7	-140	-76.3	0	0	0	112.7
781	S	26.3	Very low	27.3	Very low	81 Å²	81	136 Å²	136	57%	0.566	77%	0.767	S	S	*	*			trans	-56.2	170.9	173.3	60.3	0	0	0	0	115.9
782	L	28.7	Very low	27.1	Very low	159 Å²	159	135.8 Å²	135.8	83%	0.832	76%	0.756	S	S	*	*			cis	-167.2	165.1	41.9	-158.1	121.7	0	0	0	113.6
783	M	29.1	Very low	27.1	Very low	170 Å²	170	133.6 Å²	133.6	84%	0.837	75%	0.754	S	S	*	*			trans	-110.7	157.2	179.9	-64.3	172.9	133.7	0	0	113.8
784	K	29.3	Very low	27.7	Very low	204 Å²	204	133.2 Å²	133.2	89%	0.887	75%	0.754	S	S	*	*				175.4	152.5	126.1	-101.6	170.4	-179.9	-179.3	0	115.4
785	A	25.7	Very low	27.6	Very low	90 Å²	90	130.3 Å²	130.3	74%	0.744	76%	0.756	S	S	*	*			trans	41.9	157.2	141	0	0	0	0	0	122.5
786	S	25.8	Very low	27.7	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	76%	0.755	S	S	*	*			cis	159.1	156.7	-37.2	56.1	0	0	0	0	109.5
787	V	26.3	Very low	28.3	Very low	127 Å²	127	129.2 Å²	129.2	77%	0.77	75%	0.754	S	S	*	*			trans	104.5	107.9	165.9	-172	0	0	0	0	118.5
788	V	26.7	Very low	28.3	Very low	119 Å²	119	129.7 Å²	129.7	72%	0.721	75%	0.753	S	S	*	*			trans	18.9	134.9	130.7	-149.3	0	0	0	0	117.8
789	T	28.3	Very low	28.2	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	75%	0.754	S	S	*	*				-161.3	142.9	65.9	49.6	0	0	0	0	117.1
790	V	26.8	Very low	28	Very low	121 Å²	121	131.7 Å²	131.7	73%	0.733	75%	0.752	S	S	*	*				33.8	124.6	127.2	-174	0	0	0	0	118
791	R	27.7	Very low	27.9	Very low	202 Å²	202	131.8 Å²	131.8	76%	0.762	75%	0.753	S	S	*	*				-168.9	-177	62.4	-136.8	162.6	164.8	-160.8	-30.1	109.2
792	E	24.9	Very low	27.9	Very low	138 Å²	138	132 Å²	132	65%	0.645	76%	0.759	S	S	*	*			cis	-154.4	-160.9	0.2	-167.5	113.1	-118	0	0	108.9
793	S	27	Very low	27.9	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	76%	0.76	S	S	*	*			trans	-130.5	168.2	175.8	-44.9	0	0	0	0	110.3
794	P	38.9	Very low	28	Very low	123 Å²	123	125.8 Å²	125.8	80%	0.799	75%	0.752	S	S	*	*				-157.7	176.9	80.8	42.8	-22.7	0	0	0	118.6
795	A	26	Very low	28.1	Very low	95 Å²	95	122.3 Å²	122.3	79%	0.785	75%	0.748	S	S	*	*			trans	78	122.1	146	0	0	0	0	0	123.3
796	T	29	Very low	28.2	Very low	131 Å²	131	124.1 Å²	124.1	80%	0.804	76%	0.756	S	S	*	*			trans	-66.4	166.4	148.6	39.5	0	0	0	0	111.1
797	P	39.1	Very low	28.3	Very low	114 Å²	114	122.3 Å²	122.3	74%	0.74	75%	0.754	S	S	*	*				-162.2	-170.1	51.2	45.7	-21.7	0	0	0	120.3
798	V	25.7	Very low	28.5	Very low	125 Å²	125	123.4 Å²	123.4	76%	0.758	76%	0.76	S	S	*	*			trans	66.9	101.2	144.8	163.3	0	0	0	0	121.5
799	S	24.3	Very low	29.9	Very low	92 Å²	92	123.3 Å²	123.3	64%	0.643	76%	0.762	S	S	*	*				45.1	154.5	119.2	94.6	0	0	0	0	126.2
800	F	25.2	Very low	29.8	Very low	173 Å²	173	125.1 Å²	125.1	76%	0.759	77%	0.767	S	S	*	*			trans	64.2	119.4	145	-87.1	-66.1	0	0	0	124.2
801	Q	25.7	Very low	30.2	Very low	169 Å²	169	127.8 Å²	127.8	79%	0.79	77%	0.771	S	S	*	*			trans	73.9	126.4	130	-103.6	171.9	-13.4	0	0	123.8
802	A	26.1	Very low	30.4	Very low	85 Å²	85	121 Å²	121	70%	0.702	76%	0.758	S	S	*	*				68	113.9	126.2	0	0	0	0	0	122.6
803	A	27.5	Very low	30.6	Very low	102 Å²	102	123.3 Å²	123.3	84%	0.843	77%	0.766	S	S	*	*			trans	69	169.7	130.2	0	0	0	0	0	117.6
804	S	31.4	Very low	30.6	Very low	97 Å²	97	124.3 Å²	124.3	68%	0.678	76%	0.762	S	S	*	*			cis	-147.7	150.8	3.4	66.9	0	0	0	0	113.6
805	T	33	Very low	29.8	Very low	131 Å²	131	126.8 Å²	126.8	80%	0.804	76%	0.763	S	S	*	*			trans	39.4	131.6	139.2	60.6	0	0	0	0	122.7
806	S	27.7	Very low	29.7	Very low	128 Å²	128	126.6 Å²	126.6	90%	0.895	76%	0.761	S	S	*	*				-148.1	149	118.9	61.6	0	0	0	0	109.5
807	G	27.6	Very low	30.7	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	76%	0.764	S	S	*	*			cis	174.1	-162	-7.2	0	0	0	0	0	112.3
808	V	29.6	Very low	30	Very low	149 Å²	149	125 Å²	125	90%	0.903	77%	0.767	S	S	*	*			trans	99.2	128.4	172.1	-172.9	0	0	0	0	116.2
809	P	57.6	Low	30.2	Very low	118 Å²	118	124.6 Å²	124.6	77%	0.766	77%	0.77	S	S	*	*			trans	-130.2	-163.9	-168	46.5	-30.4	0	0	0	114.5
810	D	24.8	Very low	30.3	Very low	161 Å²	161	128.5 Å²	128.5	86%	0.861	78%	0.778	S	S	*	*			trans	-149	177.2	149.2	-140.1	-30.1	0	0	0	112.5
811	H	35.2	Very low	30.3	Very low	177 Å²	177	125.6 Å²	125.6	82%	0.819	78%	0.778	S	S	*	*			trans	-136.6	177.6	-157.7	-147.2	-159.9	0	0	0	112.7
812	A	32.7	Very low	30.3	Very low	59 Å²	59	125.6 Å²	125.6	49%	0.488	78%	0.782	S	S	.	*			cis	-164.8	173.6	11.1	0	0	0	0	0	113.4
813	K	28.8	Very low	30.2	Very low	188 Å²	188	124.5 Å²	124.5	82%	0.817	78%	0.78	S	S	*	*			trans	73.2	148.6	159.8	-63.1	-178.3	172.6	-179.9	0	118.5
814	L	26.3	Very low	30.8	Very low	126 Å²	126	125.3 Å²	125.3	66%	0.66	78%	0.777	S	S	*	*			cis	-164.7	163.7	-13.4	-115.2	173	0	0	0	112.9
815	H	23.5	Very low	30.7	Very low	176 Å²	176	130.2 Å²	130.2	82%	0.815	79%	0.785	S	S	*	*			trans	74.2	166.1	161	-73.4	-64.9	0	0	0	121.5
816	A	23.1	Very low	30.5	Very low	91 Å²	91	129.1 Å²	129.1	75%	0.752	79%	0.79	S	S	*	*			trans	-155.3	-169.7	-165.6	0	0	0	0	0	108.5
817	P	50.6	Low	30.4	Very low	132 Å²	132	126.7 Å²	126.7	86%	0.857	79%	0.785	S	S	*	*			cis	-134.1	-174	-4.5	43	-25.6	0	0	0	115
818	G	23.3	Very low	30.3	Very low	79 Å²	79	127.8 Å²	127.8	81%	0.814	80%	0.796	S	S	*	*			trans	-170.8	148.1	168.9	0	0	0	0	0	114.1
819	S	29.7	Very low	30.1	Very low	116 Å²	116	124.3 Å²	124.3	81%	0.811	79%	0.79	S	S	*	*			trans	-125.2	170.3	-179.1	-154.7	0	0	0	0	108.4
820	E	26.1	Very low	28.6	Very low	175 Å²	175	126.8 Å²	126.8	82%	0.818	80%	0.797	S	S	*	*			cis	-155.2	168.5	34.6	-60.8	-174.3	120.9	0	0	114.4
821	C	26.3	Very low	28.6	Very low	112 Å²	112	124.5 Å²	124.5	76%	0.757	79%	0.793	S	S	*	*			trans	14.9	155.1	139.8	-82.1	0	0	0	0	122.9
822	L	26.1	Very low	28.2	Very low	168 Å²	168	120 Å²	120	88%	0.88	79%	0.786	S	S	*	*			cis	-151.2	173.9	21.9	-105.5	131	0	0	0	111.9
823	G	22.8	Very low	27.8	Very low	63 Å²	63	126.1 Å²	126.1	65%	0.649	80%	0.802	S	S	*	*			trans	-94.1	-150.4	168.3	0	0	0	0	0	113.8
824	P	40.9	Very low	27.7	Very low	119 Å²	119	128 Å²	128	77%	0.773	80%	0.803	S	S	*	*			cis	-148.1	177.8	5	44.7	-25.7	0	0	0	118.9
825	K	28.5	Very low	27.6	Very low	199 Å²	199	131.5 Å²	131.5	87%	0.865	81%	0.814	S	S	*	*			trans	76.3	134.1	144.9	-85.9	176.2	177.9	179.5	0	124.5
826	A	28.7	Very low	27.7	Very low	108 Å²	108	126.7 Å²	126.7	89%	0.893	81%	0.811	S	S	*	*			trans	70.1	148.5	147.6	0	0	0	0	0	120.3
827	G	25.1	Very low	27.8	Very low	77 Å²	77	134.1 Å²	134.1	79%	0.794	82%	0.82	S	S	*	*			cis	164.8	139.6	-11	0	0	0	0	0	114.6
828	G	25.5	Very low	26.7	Very low	90 Å²	90	132 Å²	132	93%	0.928	81%	0.814	S	S	*	*			trans	79.7	165.4	178.9	0	0	0	0	0	115.1
829	G	25.7	Very low	26.9	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	82%	0.816	S	S	*	*			cis	165.5	123.1	-8.5	0	0	0	0	0	114.2
830	D	26	Very low	26.6	Very low	170 Å²	170	141.9 Å²	141.9	91%	0.909	81%	0.813	S	S	*	*			trans	68.9	142.6	150.6	-91.1	-31.4	0	0	0	126.4
831	C	24.6	Very low	26.8	Very low	113 Å²	113	140.4 Å²	140.4	76%	0.764	81%	0.805	S	S	*	*			trans	69.8	114.1	138.9	-150.6	0	0	0	0	124.2
832	A	27.2	Very low	26.7	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	80%	0.8	S	S	*	*			trans	-51.6	157.5	165.5	0	0	0	0	0	119.1
833	K	25.9	Very low	26.8	Very low	189 Å²	189	136.9 Å²	136.9	82%	0.822	79%	0.79	S	S	*	*				158.2	139.9	125.6	-88.1	163	-176.2	168.2	0	114.8
834	R	25	Very low	26.9	Very low	226 Å²	226	140.3 Å²	140.3	85%	0.853	80%	0.803	S	S	*	*			trans	65.7	139.5	147.1	-77.2	-173.4	170.9	-164.4	-0.6	122.7
835	K	25.6	Very low	26.1	Very low	201 Å²	201	137.9 Å²	137.9	87%	0.874	80%	0.8	S	S	*	*			trans	6.7	140.2	132.5	-50.4	179.9	176.3	-171.1	0	117.7
836	G	24.4	Very low	25.8	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	80%	0.804	S	S	*	*			cis	147.2	165.4	-2.4	0	0	0	0	0	114.1
837	W	26.6	Very low	25.6	Very low	248 Å²	248	136.6 Å²	136.6	94%	0.939	79%	0.791	S	S	*	*			trans	52.3	103.5	159.9	-150.9	-41.4	0	0	0	121.4
838	A	27.2	Very low	25.6	Very low	87 Å²	87	141.6 Å²	141.6	72%	0.719	79%	0.794	S	S	*	*			trans	-169.1	148.7	149.4	0	0	0	0	0	107.8
839	R	27.2	Very low	25.6	Very low	228 Å²	228	145.6 Å²	145.6	86%	0.86	79%	0.789	S	S	*	*			cis	-134.8	150.7	1.6	-68	-176.8	175.1	166.1	-2	107.5
840	F	23.9	Very low	25.5	Very low	174 Å²	174	154 Å²	154	76%	0.763	80%	0.797	S	S	*	*				57.9	130.2	68.3	-91	-116.6	0	0	0	113.8
841	K	29.2	Very low	25.6	Very low	145 Å²	145	153.2 Å²	153.2	63%	0.63	79%	0.793	S	S	*	*			cis	-167.2	167.7	1.8	-158.3	-173.2	168.5	-89.9	0	111.2
842	D	25.6	Very low	25.6	Very low	122 Å²	122	156.7 Å²	156.7	65%	0.652	80%	0.795	S	S	*	*			trans	69.8	150.4	157.3	-66.8	-31	0	0	0	121
843	A	26.6	Very low	25.4	Very low	83 Å²	83	159.1 Å²	159.1	69%	0.686	80%	0.801	S	S	*	*			cis	-168.9	139.1	-22.7	0	0	0	0	0	115.1
844	C	25.4	Very low	25.4	Very low	136 Å²	136	155.7 Å²	155.7	92%	0.919	80%	0.801	S	S	*	*			trans	66.9	151.3	139.6	-149.1	0	0	0	0	123.7
845	G	23.7	Very low	25.4	Very low	68 Å²	68	154.2 Å²	154.2	70%	0.701	80%	0.801	S	S	*	*			trans	105.3	102.8	176.1	0	0	0	0	0	113.1
846	K	23.5	Very low	25.4	Very low	217 Å²	217	148.9 Å²	148.9	94%	0.943	79%	0.794	S	S	*	*			cis	73.8	116.4	35.5	-113.6	-161.5	-173.7	-168.3	0	115.3
847	G	24.2	Very low	25.4	Very low	62 Å²	62	154 Å²	154	64%	0.639	80%	0.798	S	S	*	*			trans	133.3	140.7	155.4	0	0	0	0	0	116.6
848	E	25.5	Very low	25.3	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	79%	0.788	S	S	*	*			trans	42.6	122.8	152.8	-70.6	126.3	-121.6	0	0	120.3
849	E	25.4	Very low	25.2	Very low	174 Å²	174	150.5 Å²	150.5	81%	0.813	79%	0.791	S	S	*	*				72.7	99.4	64.8	-170.7	177.8	-115.1	0	0	114.1
850	W	24.2	Very low	25.1	Very low	254 Å²	254	149.1 Å²	149.1	96%	0.962	79%	0.794	S	S	*	*			trans	-152.7	138.1	141.3	-108.3	-18.8	0	0	0	114
851	N	26.2	Very low	25.2	Very low	152 Å²	152	146.5 Å²	146.5	81%	0.813	79%	0.793	S	S	*	*			trans	-128.8	113.8	174.7	-170.9	0.5	0	0	0	106.6
852	K	24.5	Very low	25.1	Very low	186 Å²	186	147.7 Å²	147.7	81%	0.809	81%	0.805	S	S	*	*			trans	-179.4	133.6	167.6	-108.1	168.8	-173.2	178.4	0	113.9
853	V	23.9	Very low	25.6	Very low	134 Å²	134	147.5 Å²	147.5	81%	0.812	81%	0.81	S	S	*	*			trans	69.6	143.2	144.7	176.6	0	0	0	0	115.8
854	S	25.3	Very low	25.4	Very low	117 Å²	117	152.8 Å²	152.8	82%	0.818	82%	0.821	S	S	*	*			cis	-136.3	178.1	9.8	-2.1	0	0	0	0	113.1
855	K	25.2	Very low	25.6	Very low	194 Å²	194	157.5 Å²	157.5	84%	0.843	82%	0.819	S	S	*	*			trans	-115.4	121.9	178.5	172.9	-153.5	176.8	-157	0	111
856	A	25.3	Very low	25.8	Very low	90 Å²	90	160.5 Å²	160.5	74%	0.744	82%	0.824	S	S	*	*			trans	-168.8	133.4	162.1	0	0	0	0	0	106.9
857	E	25.6	Very low	26	Very low	181 Å²	181	159.8 Å²	159.8	85%	0.846	82%	0.821	S	S	*	*				79.4	88.4	57.1	-75.9	-176.2	176.5	0	0	115.6
858	S	24.2	Very low	26	Very low	103 Å²	103	161.9 Å²	161.9	72%	0.72	83%	0.832	S	S	*	*			trans	-170.7	125.3	142.7	-157.9	0	0	0	0	105.1
859	M	24.3	Very low	26.1	Very low	159 Å²	159	159.3 Å²	159.3	78%	0.783	84%	0.835	S	S	*	*				63.1	96.9	53.4	-163.4	167.1	71.9	0	0	111.7	T861	M859-T861 HydrophobicContact CG-CG2 4.44Å
860	E	26.4	Very low	26.1	Very low	199 Å²	199	154.9 Å²	154.9	93%	0.93	84%	0.835	S	S	*	*			trans	-97.5	117.2	170.7	-69.2	-171.4	135.9	0	0	109.7
861	T	25.7	Very low	26.3	Very low	119 Å²	119	152.4 Å²	152.4	73%	0.73	83%	0.834	S	S	*	*			trans	-110.5	121.1	171.5	50.9	0	0	0	0	109.6	M859	M859-T861 HydrophobicContact CG-CG2 4.44Å
862	L	27.3	Very low	26.4	Very low	169 Å²	169	149.4 Å²	149.4	89%	0.885	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75	155	171.6	-78.9	168.5	0	0	0	111.3
863	P	34.8	Very low	26.6	Very low	118 Å²	118	146.8 Å²	146.8	77%	0.766	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-87.1	161.1	-152.1	33	-38	0	0	0	116.2
864	E	23.9	Very low	26.9	Very low	194 Å²	194	148.3 Å²	148.3	91%	0.907	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-63.8	150.9	175.1	-62.2	-179.3	91.2	0	0	114.2
865	R	28	Very low	27.1	Very low	236 Å²	236	152.7 Å²	152.7	89%	0.891	84%	0.838	S	S	*	*			trans	-150	94.7	146.9	-160.5	169.1	-174	161.8	1.9	114.7
866	T	29.5	Very low	27.6	Very low	130 Å²	130	152.1 Å²	152.1	80%	0.798	84%	0.835	S	S	*	*			trans	56.3	125.2	143	-39.1	0	0	0	0	121
867	K	27.1	Very low	27.8	Very low	202 Å²	202	154.3 Å²	154.3	88%	0.878	84%	0.84	S	S	*	*			trans	-57.7	153.8	179.2	-54	168.2	-178.9	176	0	116.5
868	A	24.6	Very low	28	Very low	107 Å²	107	152 Å²	152	88%	0.884	83%	0.833	S	S	*	*			trans	-141.7	160.4	138.6	0	0	0	0	0	108.9
869	S	26.8	Very low	28.4	Very low	128 Å²	128	152.5 Å²	152.5	90%	0.895	84%	0.836	S	S	*	*			trans	-130.8	146.5	-168	54.7	0	0	0	0	114
870	G	26.5	Very low	28.8	Very low	80 Å²	80	150.2 Å²	150.2	83%	0.825	84%	0.835	S	S	*	*			trans	-163.5	139	168.2	0	0	0	0	0	111.2
871	E	27.6	Very low	29.2	Very low	202 Å²	202	147.8 Å²	147.8	94%	0.944	83%	0.828	S	S	*	*			trans	-98.5	148.8	-176.3	-59.4	172.3	104.3	0	0	112
872	A	28.9	Very low	29.5	Very low	90 Å²	90	147.7 Å²	147.7	74%	0.744	83%	0.833	S	S	*	*				174	126.7	129.7	0	0	0	0	0	114
873	T	28.1	Very low	29.7	Very low	131 Å²	131	142.6 Å²	142.6	80%	0.804	82%	0.821	S	S	*	*			trans	32.9	111.6	151.1	45.7	0	0	0	0	122.4
874	L	30.9	Very low	29.5	Very low	165 Å²	165	145 Å²	145	86%	0.864	83%	0.825	S	S	*	*				16.6	113.5	128.5	-71.2	163.7	0	0	0	119.1
875	K	28.3	Very low	30.1	Very low	209 Å²	209	141.7 Å²	141.7	91%	0.909	82%	0.819	S	S	*	*				-167.4	168.7	113.1	-106	165.4	-173.8	176.3	0	113.3
876	K	36.2	Very low	30.3	Very low	182 Å²	182	139.7 Å²	139.7	79%	0.791	82%	0.816	S	S	*	*			trans	-91.7	131.4	-170.9	175.9	-173.6	-179.5	-177.1	0	111.5
877	T	30.1	Very low	30.6	Very low	137 Å²	137	137 Å²	137	84%	0.84	80%	0.803	S	S	*	*			trans	-145.2	114.1	169.5	49.1	0	0	0	0	111.9
878	D	28.8	Very low	30.9	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	79%	0.793	S	S	*	*			trans	-102.1	138.3	157.3	-73	-68.1	0	0	0	108
879	S	32	Very low	31.3	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	78%	0.784	S	S	*	*			trans	61	160.3	172.4	78.7	0	0	0	0	116.3
880	C	34	Very low	31.8	Very low	111 Å²	111	138.6 Å²	138.6	75%	0.75	78%	0.78	S	S	*	*			cis	-125.7	148.8	0.7	-71.6	0	0	0	0	109
881	D	34.2	Very low	31.9	Very low	148 Å²	148	142.3 Å²	142.3	79%	0.791	78%	0.78	S	S	*	*				59.9	134.7	99.7	-161.2	30.5	0	0	0	117.8
882	S	32.4	Very low	32	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	77%	0.771	S	S	*	*			trans	-120.6	98.1	159	-69.7	0	0	0	0	105.4
883	G	30.6	Very low	32.3	Very low	62 Å²	62	142.9 Å²	142.9	64%	0.639	78%	0.777	S	S	*	*				72.9	123.4	75.7	0	0	0	0	0	110.5
884	I	30.5	Very low	32.4	Very low	167 Å²	167	144 Å²	144	86%	0.856	78%	0.783	S	S	*	*			cis	-147.9	159.9	34.5	-157.5	163.8	0	0	0	112.6
885	T	36.2	Very low	32.3	Very low	126 Å²	126	139 Å²	139	77%	0.773	77%	0.772	S	S	*	*			trans	-127.2	161.4	172.3	57.1	0	0	0	0	110.2
886	K	34	Very low	32.3	Very low	193 Å²	193	138.3 Å²	138.3	84%	0.839	77%	0.772	S	S	*	*			trans	132.5	152.7	153.8	-80.3	-165.6	171.2	-168.1	0	115.4
887	S	35.2	Very low	31.9	Very low	75 Å²	75	133.9 Å²	133.9	52%	0.524	77%	0.769	S	S	.	*			cis	-170.8	177.1	-29.3	46	0	0	0	0	111.2
888	D	33.9	Very low	31.9	Very low	125 Å²	125	139.2 Å²	139.2	67%	0.668	77%	0.774	S	S	*	*			trans	89.4	108.6	150.5	-53.9	-43	0	0	0	121.2
889	L	33.2	Very low	31.7	Very low	133 Å²	133	138.2 Å²	138.2	70%	0.696	78%	0.777	S	S	*	*				38.3	141	108.4	-64.7	157.8	0	0	0	118.8
890	R	35.8	Very low	32.6	Very low	212 Å²	212	137.5 Å²	137.5	80%	0.8	77%	0.77	S	S	*	*			cis	-178.6	143	-8.6	-171.8	-172.5	-163.3	118.4	-3.7	107.2
891	L	28.3	Very low	32.4	Very low	157 Å²	157	140.2 Å²	140.2	82%	0.822	77%	0.771	S	S	*	*			trans	-169	164.4	156.5	-109.4	168.2	0	0	0	113
892	D	31	Very low	32.1	Very low	141 Å²	141	139 Å²	139	75%	0.754	77%	0.765	S	S	*	*			trans	-77.5	176.3	-149.8	-57.3	-40.2	0	0	0	120.2
893	N	35.3	Very low	32	Very low	164 Å²	164	144.3 Å²	144.3	88%	0.877	77%	0.767	S	S	*	*			trans	-80.7	121.7	172.4	-73.9	-32.3	0	0	0	113.8
894	V	30.1	Very low	31.8	Very low	153 Å²	153	146.7 Å²	146.7	93%	0.927	77%	0.774	S	S	*	*			trans	-157.8	146.2	145.2	-179.8	0	0	0	0	104.8
895	G	29.1	Very low	32.6	Very low	62 Å²	62	144.3 Å²	144.3	64%	0.639	77%	0.769	S	S	*	*			cis	148.9	142.6	2.8	0	0	0	0	0	109.1
896	E	28	Very low	32.3	Very low	194 Å²	194	145.5 Å²	145.5	91%	0.907	77%	0.769	S	S	*	*			trans	54.3	112.8	167.2	-64.3	-158.4	123.8	0	0	122.8
897	A	28	Very low	32.3	Very low	88 Å²	88	144.5 Å²	144.5	73%	0.727	77%	0.772	S	S	*	*				88.8	154.4	117.9	0	0	0	0	0	123.7
898	R	30.2	Very low	32	Very low	250 Å²	250	145.5 Å²	145.5	94%	0.943	79%	0.785	S	S	*	*			trans	96.9	118.4	162.6	-57.8	-172.9	-179.9	178.5	1.6	119.2
899	S	24.6	Very low	31.7	Very low	111 Å²	111	148.9 Å²	148.9	78%	0.776	80%	0.797	S	S	*	*			trans	-91.2	-169.8	160.3	61.1	0	0	0	0	109.5
900	P	49.5	Very low	31.5	Very low	97 Å²	97	148 Å²	148	63%	0.63	80%	0.797	S	S	*	*			cis	-134.9	-160.9	-1.1	31.8	-6.8	0	0	0	113.9
901	Q	30.4	Very low	31.2	Very low	168 Å²	168	147 Å²	147	79%	0.785	80%	0.798	S	S	*	*			trans	74.7	145.9	160.7	-64.1	-172.5	-89.5	0	0	117.7
902	D	27.7	Very low	31.2	Very low	122 Å²	122	147.3 Å²	147.3	65%	0.652	80%	0.795	S	S	*	*			cis	-157.9	170.7	-11	-130.3	-45.8	0	0	0	112.5
903	R	30.5	Very low	31	Very low	231 Å²	231	144.9 Å²	144.9	87%	0.872	79%	0.789	S	S	*	*			trans	66	105.9	164.7	-66.4	175.3	-179.7	178.1	-0.2	120.7
904	S	26.6	Very low	30.7	Very low	112 Å²	112	146.9 Å²	146.9	78%	0.783	79%	0.79	S	S	*	*			trans	-72.5	174.3	144.7	41.2	0	0	0	0	111
905	P	46.8	Very low	30.9	Very low	116 Å²	116	149.9 Å²	149.9	75%	0.753	79%	0.786	S	S	*	*			cis	-143.2	-163.9	27.3	37.8	-13	0	0	0	117.5
906	I	29.7	Very low	31.3	Very low	152 Å²	152	152.1 Å²	152.1	78%	0.779	79%	0.79	S	S	*	*			trans	91.5	82.7	168.4	-47.8	177.8	0	0	0	116.9
907	L	33.8	Very low	32.1	Very low	172 Å²	172	149.1 Å²	149.1	90%	0.901	78%	0.779	S	S	*	*				43.5	97	123.3	-163.6	74.5	0	0	0	119.2
908	A	29.1	Very low	33.1	Very low	95 Å²	95	148.8 Å²	148.8	79%	0.785	77%	0.769	S	S	*	*			trans	-143.2	158.8	151.6	0	0	0	0	0	110
909	E	28.5	Very low	34.2	Very low	197 Å²	197	144 Å²	144	92%	0.921	76%	0.758	S	S	*	*			trans	-63.4	127.6	-162.3	-63.2	168.7	109.6	0	0	115.3	K911	E909-K911 PolarHBondContact O-N 3.04Å
910	V	28.1	Very low	35.7	Very low	115 Å²	115	146.3 Å²	146.3	70%	0.697	76%	0.756	S	S	*	*			trans	-80.8	110.7	168.2	175.2	0	0	0	0	109.9	H912	V910-H912 PolarHBondContact O-N 3.15Å
911	K	30.8	Very low	36.3	Very low	191 Å²	191	145.1 Å²	145.1	83%	0.83	75%	0.747	S	S	*	*			trans	-68.3	91.1	168.7	-176.7	-178.1	-179.9	-179.5	0	110.1	E909 S913	E909-K911 PolarHBondContact O-N 3.04Å; K911-S913 PolarHBondContact O-N 2.99Å
912	H	27.3	Very low	37.7	Very low	162 Å²	162	142.1 Å²	142.1	75%	0.75	74%	0.736	S	S	*	*			trans	-68.4	99.8	175.3	-91.8	-78.2	0	0	0	111.7	V910	V910-H912 PolarHBondContact O-N 3.15Å
913	S	28	Very low	39.5	Very low	91 Å²	91	141.8 Å²	141.8	64%	0.636	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-64.1	129.5	161.6	-61	0	0	0	0	109.7	K911 Y915	K911-S913 PolarHBondContact O-N 2.99Å; S913-Y915 PolarHBondContact O-N 3.37Å
914	F	28.3	Very low	41.4	Very low	205 Å²	205	133.4 Å²	133.4	90%	0.899	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-66.4	126.6	171.8	-85.1	-106.8	0	0	0	110.1
915	Y	33.5	Very low	43.6	Very low	216 Å²	216	131 Å²	131	85%	0.847	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-78.3	141.3	162.4	-90.8	-96.4	0	0	0	109.6	S913	S913-Y915 PolarHBondContact O-N 3.37Å
916	P	38.9	Very low	44.9	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-64.5	141.6	162.3	29.8	-33.3	0	0	0	109.4
917	I	44	Very low	47.3	Very low	132 Å²	132	127.6 Å²	127.6	68%	0.677	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-64.4	128.8	179.1	-63.4	168.2	0	0	0	108.7	E919 T921	I917-E919 PolarHBondContact O-N 3.36Å; I917-T921 HydrophobicContact CG2-CG2 4.31Å
918	P	49	Very low	49.7	Very low	81 Å²	81	125.8 Å²	125.8	53%	0.526	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-58.3	136.1	174.8	-24.3	34.5	0	0	0	111.3	Q920 T921 L922	P918-Q920 PolarHBondContact O-N 2.9Å; P918-Q920 VanDerWaalsContact O-N 3.1Å; P918-T921 WeakPolarHBondContact O-CA 3.42Å; P918-T921 WeakPolarHBondContact O-CB 3.38Å; P918-T921 PolarHBondContact O-N 3.38Å; P918-T921 PolarHBondContact O-OG1 3.11Å; P918-L922 PolarHBondContact O-N 3.15Å
919	E	53.9	Low	52.1	Low	150 Å²	150	125.5 Å²	125.5	70%	0.701	65%	0.645	S	S	*	*	H	α-helix	trans	-57.4	-31.9	-175	-165.9	172.5	-154.1	0	0	112.7	I917 T921 L922 Q923	I917-E919 PolarHBondContact O-N 3.36Å; E919-T921 VanDerWaalsContact C-N 3.32Å; E919-T921 PolarHBondContact O-N 2.92Å; E919-L922 PolarHBondContact O-N 3.35Å; E919-Q923 WeakPolarHBondContact O-CG 3.41Å; E919-Q923 PolarHBondContact O-N 3.24Å
920	Q	55.4	Low	54.7	Low	159 Å²	159	124.8 Å²	124.8	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-61.2	-35.5	172.9	-65.5	177.7	-12.6	0	0	113.2	P918 Q923 A924	P918-Q920 PolarHBondContact O-N 2.9Å; P918-Q920 VanDerWaalsContact O-N 3.1Å; Q920-Q923 PolarHBondContact O-N 3.44Å; Q920-A924 WeakPolarHBondContact O-CB 3.49Å; Q920-A924 PolarHBondContact O-N 2.84Å
921	T	62.5	Low	57.4	Low	71 Å²	71	124.8 Å²	124.8	44%	0.436	63%	0.627	S	S	.	*	H	α-helix	trans	-71.7	-34.4	177.5	-42.9	0	0	0	0	111.3	I917 P918 E919 A924 T925	I917-T921 HydrophobicContact CG2-CG2 4.31Å; P918-T921 WeakPolarHBondContact O-CA 3.42Å; P918-T921 WeakPolarHBondContact O-CB 3.38Å; P918-T921 PolarHBondContact O-N 3.38Å; P918-T921 PolarHBondContact O-OG1 3.11Å; E919-T921 VanDerWaalsContact C-N 3.32Å; E919-T921 PolarHBondContact O-N 2.92Å; T921-A924 PolarHBondContact O-N 3.1Å; T921-T925 PolarHBondContact O-N 3.31Å; T921-T925 VanDerWaalsContact O-N 3.1Å; T921-T925 PolarHBondContact O-OG1 3.43Å
922	L	60.3	Low	60	Low	105 Å²	105	121.8 Å²	121.8	55%	0.55	62%	0.615	S	S	.	*	H	α-helix	trans	-69.9	-39.6	173.1	-172.5	66.8	0	0	0	111.5	P918 E919 T925 V926	P918-L922 PolarHBondContact O-N 3.15Å; E919-L922 PolarHBondContact O-N 3.35Å; L922-T925 PolarHBondContact O-OG1 3.49Å; L922-V926 WeakPolarHBondContact O-CB 3.5Å; L922-V926 VanDerWaalsContact O-CG2 3.24Å; L922-V926 WeakPolarHBondContact O-CG2 3.22Å; L922-V926 PolarHBondContact O-N 2.8Å
923	Q	64.5	Low	62.5	Low	116 Å²	116	119.1 Å²	119.1	54%	0.542	61%	0.606	S	S	.	*	H	α-helix	trans	-65.4	-38	173.4	-69.8	179.7	11.9	0	0	112	E919 Q920 L927	E919-Q923 WeakPolarHBondContact O-CG 3.41Å; E919-Q923 PolarHBondContact O-N 3.24Å; Q920-Q923 PolarHBondContact O-N 3.44Å; Q923-L927 WeakPolarHBondContact O-CB 3.32Å; Q923-L927 VanDerWaalsContact O-CG 3.29Å; Q923-L927 WeakPolarHBondContact O-CG 3.19Å; Q923-L927 PolarHBondContact O-N 3.5Å
924	A	71.4	Confident	65.2	Low	54 Å²	54	121.1 Å²	121.1	45%	0.446	60%	0.604	S	S	.	*	H	α-helix	trans	-62	-50.5	175.4	0	0	0	0	0	112.2	Q920 T921 V926 L927 E928	Q920-A924 WeakPolarHBondContact O-CB 3.49Å; Q920-A924 PolarHBondContact O-N 2.84Å; T921-A924 PolarHBondContact O-N 3.1Å; A924-V926 PolarHBondContact O-N 3.09Å; A924-L927 PolarHBondContact O-N 2.98Å; A924-L927 VanDerWaalsContact O-N 3.15Å; A924-E928 WeakPolarHBondContact O-CB 3.22Å; A924-E928 PolarHBondContact O-N 3.31Å
925	T	72.1	Confident	68	Low	62 Å²	62	115.3 Å²	115.3	38%	0.38	58%	0.579	S	S	.	*	H	α-helix	trans	-67.2	-33.7	179.1	52.9	0	0	0	0	112.7	T921 L922 E928 V929	T921-T925 PolarHBondContact O-N 3.31Å; T921-T925 VanDerWaalsContact O-N 3.1Å; T921-T925 PolarHBondContact O-OG1 3.43Å; L922-T925 PolarHBondContact O-OG1 3.49Å; T925-E928 PolarHBondContact O-N 3.46Å; T925-V929 WeakPolarHBondContact O-CB 3.25Å; T925-V929 WeakPolarHBondContact O-CG2 3.3Å; T925-V929 PolarHBondContact O-N 3.32Å
926	V	74.5	Confident	70.5	Confident	89 Å²	89	110.1 Å²	110.1	54%	0.539	57%	0.566	S	S	.	*	H	α-helix	trans	-65.8	-36.1	171.8	168.4	0	0	0	0	112	L922 A924 R930	L922-V926 WeakPolarHBondContact O-CB 3.5Å; L922-V926 VanDerWaalsContact O-CG2 3.24Å; L922-V926 WeakPolarHBondContact O-CG2 3.22Å; L922-V926 PolarHBondContact O-N 2.8Å; A924-V926 PolarHBondContact O-N 3.09Å; V926-R930 WeakPolarHBondContact O-CB 3.47Å; V926-R930 PolarHBondContact O-N 2.98Å
927	L	78.8	Confident	72.7	Confident	107 Å²	107	109.3 Å²	109.3	56%	0.56	56%	0.555	S	S	*	*	H	α-helix	trans	-71.3	-36.3	174	-74.3	170.6	0	0	0	112.5	Q923 A924 R930 H931	Q923-L927 WeakPolarHBondContact O-CB 3.32Å; Q923-L927 VanDerWaalsContact O-CG 3.29Å; Q923-L927 WeakPolarHBondContact O-CG 3.19Å; Q923-L927 PolarHBondContact O-N 3.5Å; A924-L927 PolarHBondContact O-N 2.98Å; A924-L927 VanDerWaalsContact O-N 3.15Å; L927-R930 PolarHBondContact O-N 3.35Å; L927-H931 PolarHBondContact O-N 3.39Å
928	E	84.8	Confident	74.7	Confident	134 Å²	134	108.6 Å²	108.6	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-65.2	-52.3	176	-171.2	165.5	-144.4	0	0	111.3	A924 T925 R930 H931 E932	A924-E928 WeakPolarHBondContact O-CB 3.22Å; A924-E928 PolarHBondContact O-N 3.31Å; T925-E928 PolarHBondContact O-N 3.46Å; E928-R930 VanDerWaalsContact C-N 3.26Å; E928-R930 PolarHBondContact O-N 3.45Å; E928-H931 WeakPolarHBondContact O-CA 3.22Å; E928-H931 WeakPolarHBondContact O-CB 3.39Å; E928-H931 PolarHBondContact O-N 2.88Å; E928-E932 PolarHBondContact O-N 3.23Å
929	V	79.6	Confident	76.5	Confident	89 Å²	89	106.7 Å²	106.7	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-58.9	-36.7	173.4	171.2	0	0	0	0	111.6	T925 H931 E932 L933	T925-V929 WeakPolarHBondContact O-CB 3.25Å; T925-V929 WeakPolarHBondContact O-CG2 3.3Å; T925-V929 PolarHBondContact O-N 3.32Å; V929-H931 VanDerWaalsContact C-N 3.3Å; V929-H931 PolarHBondContact O-N 3.29Å; V929-E932 PolarHBondContact O-N 2.89Å; V929-L933 VanDerWaalsContact O-CB 3.26Å; V929-L933 WeakPolarHBondContact O-CB 3.46Å; V929-L933 PolarHBondContact O-N 3.33Å
930	R	83.2	Confident	78	Confident	182 Å²	182	105.1 Å²	105.1	69%	0.687	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-29.8	174.1	-173.9	-178.3	-175.8	-159.7	3.5	112.7	V926 L927 E928 K934	V926-R930 WeakPolarHBondContact O-CB 3.47Å; V926-R930 PolarHBondContact O-N 2.98Å; L927-R930 PolarHBondContact O-N 3.35Å; E928-R930 VanDerWaalsContact C-N 3.26Å; E928-R930 PolarHBondContact O-N 3.45Å; R930-K934 WeakPolarHBondContact O-CB 3.34Å; R930-K934 PolarHBondContact O-N 3.01Å
931	H	85.4	Confident	79.3	Confident	116 Å²	116	102.1 Å²	102.1	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-75.9	-46.4	174.3	-166.5	-75.7	0	0	0	111.1	L927 E928 V929 K934 E935	L927-H931 PolarHBondContact O-N 3.39Å; E928-H931 WeakPolarHBondContact O-CA 3.22Å; E928-H931 WeakPolarHBondContact O-CB 3.39Å; E928-H931 PolarHBondContact O-N 2.88Å; V929-H931 VanDerWaalsContact C-N 3.3Å; V929-H931 PolarHBondContact O-N 3.29Å; H931-K934 WeakPolarHBondContact O-CA 3.49Å; H931-K934 WeakPolarHBondContact O-CB 3.5Å; H931-K934 PolarHBondContact O-N 2.76Å; H931-E935 IonicContact CE1-OE1 3.95Å; H931-E935 PolarHBondContact O-N 2.84Å
932	E	84.8	Confident	80.4	Confident	127 Å²	127	101.6 Å²	101.6	59%	0.593	53%	0.525	S	S	*	.	H	α-helix	trans	-57.8	-50	176.9	-170.5	172.2	-139	0	0	111.4	E928 V929 K934 E935 D936	E928-E932 PolarHBondContact O-N 3.23Å; V929-E932 PolarHBondContact O-N 2.89Å; E932-K934 PolarHBondContact O-N 3.41Å; E932-K934 VanDerWaalsContact O-N 3.16Å; E932-E935 WeakPolarHBondContact O-CB 3.34Å; E932-E935 PolarHBondContact O-N 3.42Å; E932-D936 PolarHBondContact O-N 3.1Å
933	L	79.6	Confident	81.7	Confident	106 Å²	106	103.1 Å²	103.1	56%	0.555	53%	0.528	S	S	*	.	H	α-helix	trans	-58.2	-31.6	174.6	-170.1	72.1	0	0	0	112.7	V929 I937	V929-L933 VanDerWaalsContact O-CB 3.26Å; V929-L933 WeakPolarHBondContact O-CB 3.46Å; V929-L933 PolarHBondContact O-N 3.33Å; L933-I937 HydrophobicContact CG-CD1 4.16Å; L933-I937 WeakPolarHBondContact O-CB 3.49Å; L933-I937 WeakPolarHBondContact O-CD1 3.4Å; L933-I937 WeakPolarHBondContact O-CG1 3.36Å; L933-I937 PolarHBondContact O-N 3.44Å
934	K	84.8	Confident	82.8	Confident	134 Å²	134	102.2 Å²	102.2	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-76.5	-33.6	177.7	-171.1	-178.9	-179.2	-174.4	0	112.1	R930 H931 E932 K938	R930-K934 WeakPolarHBondContact O-CB 3.34Å; R930-K934 PolarHBondContact O-N 3.01Å; H931-K934 WeakPolarHBondContact O-CA 3.49Å; H931-K934 WeakPolarHBondContact O-CB 3.5Å; H931-K934 PolarHBondContact O-N 2.76Å; E932-K934 PolarHBondContact O-N 3.41Å; E932-K934 VanDerWaalsContact O-N 3.16Å; K934-K938 WeakPolarHBondContact O-CG 3.23Å; K934-K938 PolarHBondContact O-N 2.95Å
935	E	87.3	Confident	83.6	Confident	83 Å²	83	103.1 Å²	103.1	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-67	-44.7	169.5	-67.6	-60.6	97.4	0	0	110.8	H931 E932 I937 K938 A939	H931-E935 IonicContact CE1-OE1 3.95Å; H931-E935 PolarHBondContact O-N 2.84Å; E932-E935 WeakPolarHBondContact O-CB 3.34Å; E932-E935 PolarHBondContact O-N 3.42Å; E935-I937 PolarHBondContact O-N 2.95Å; E935-K938 WeakPolarHBondContact O-CB 3.43Å; E935-K938 PolarHBondContact O-N 3.48Å; E935-K938 VanDerWaalsContact O-N 3.1Å; E935-K938 WeakPolarHBondContact OE1-CD 3.33Å; E935-K938 WeakPolarHBondContact OE1-CE 3.4Å; E935-K938 IonicContact OE1-NZ 3.95Å; E935-K938 PolarHBondContact OE1-NZ 3.36Å; E935-A939 PolarHBondContact O-N 3.15Å
936	D	84.6	Confident	84.3	Confident	107 Å²	107	104.7 Å²	104.7	57%	0.572	53%	0.531	S	S	*	.	H	α-helix	trans	-61.1	-41.3	176.3	-96.7	-13.2	0	0	0	112.5	E932 K938 A939 L940	E932-D936 PolarHBondContact O-N 3.1Å; D936-K938 VanDerWaalsContact C-N 3.33Å; D936-K938 PolarHBondContact O-N 3.09Å; D936-A939 PolarHBondContact O-N 3.06Å; D936-L940 WeakPolarHBondContact O-CB 3.36Å; D936-L940 PolarHBondContact O-N 3.14Å
937	I	86.4	Confident	84.9	Confident	91 Å²	91	104.7 Å²	104.7	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-36.1	174.3	-72.3	165.2	0	0	0	111.5	L933 E935 N941	L933-I937 HydrophobicContact CG-CD1 4.16Å; L933-I937 WeakPolarHBondContact O-CB 3.49Å; L933-I937 WeakPolarHBondContact O-CD1 3.4Å; L933-I937 WeakPolarHBondContact O-CG1 3.36Å; L933-I937 PolarHBondContact O-N 3.44Å; E935-I937 PolarHBondContact O-N 2.95Å; I937-N941 WeakPolarHBondContact O-CB 3.29Å; I937-N941 PolarHBondContact O-N 3.26Å; I937-N941 VanDerWaalsContact O-N 3.07Å; I937-N941 PolarHBondContact O-ND2 3.07Å
938	K	85.1	Confident	85.3	Confident	117 Å²	117	104.3 Å²	104.3	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-65.1	-46.4	170.9	-68.8	170.6	-175.4	173.3	0	111.1	K934 E935 D936 L940 N941 A942	K934-K938 WeakPolarHBondContact O-CG 3.23Å; K934-K938 PolarHBondContact O-N 2.95Å; E935-K938 WeakPolarHBondContact O-CB 3.43Å; E935-K938 PolarHBondContact O-N 3.48Å; E935-K938 VanDerWaalsContact O-N 3.1Å; E935-K938 WeakPolarHBondContact OE1-CD 3.33Å; E935-K938 WeakPolarHBondContact OE1-CE 3.4Å; E935-K938 IonicContact OE1-NZ 3.95Å; E935-K938 PolarHBondContact OE1-NZ 3.36Å; D936-K938 VanDerWaalsContact C-N 3.33Å; D936-K938 PolarHBondContact O-N 3.09Å; K938-L940 VanDerWaalsContact C-N 3.29Å; K938-L940 PolarHBondContact O-N 3.21Å; K938-N941 PolarHBondContact O-N 3.48Å; K938-A942 WeakPolarHBondContact O-CB 3.41Å; K938-A942 PolarHBondContact O-N 3.39Å
939	A	87.4	Confident	85.4	Confident	41 Å²	41	105.1 Å²	105.1	34%	0.339	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-36	-179.3	0	0	0	0	0	112	E935 D936 A942 K943	E935-A939 PolarHBondContact O-N 3.15Å; D936-A939 PolarHBondContact O-N 3.06Å; A939-A942 PolarHBondContact O-N 3.06Å; A939-K943 VanDerWaalsContact O-CG 3.31Å; A939-K943 WeakPolarHBondContact O-CG 3.39Å; A939-K943 PolarHBondContact O-N 2.93Å
940	L	85	Confident	85.8	Confident	118 Å²	118	106.6 Å²	106.6	62%	0.618	53%	0.525	S	S	*	.	H	α-helix	trans	-67.8	-43.8	174	-170.8	64.9	0	0	0	111.6	D936 K938 A942 K943 M944	D936-L940 WeakPolarHBondContact O-CB 3.36Å; D936-L940 PolarHBondContact O-N 3.14Å; K938-L940 VanDerWaalsContact C-N 3.29Å; K938-L940 PolarHBondContact O-N 3.21Å; L940-A942 VanDerWaalsContact C-N 3.34Å; L940-A942 PolarHBondContact O-N 2.75Å; L940-K943 PolarHBondContact O-N 3.12Å; L940-M944 WeakPolarHBondContact O-CB 3.49Å; L940-M944 PolarHBondContact O-N 3.08Å
941	N	82.8	Confident	85.9	Confident	95 Å²	95	102.6 Å²	102.6	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-64.7	-35.9	174.2	-78.3	-55.6	0	0	0	112.7	I937 K938 K943 M944 T945	I937-N941 WeakPolarHBondContact O-CB 3.29Å; I937-N941 PolarHBondContact O-N 3.26Å; I937-N941 VanDerWaalsContact O-N 3.07Å; I937-N941 PolarHBondContact O-ND2 3.07Å; K938-N941 PolarHBondContact O-N 3.48Å; N941-K943 VanDerWaalsContact C-N 3.35Å; N941-M944 PolarHBondContact O-N 2.95Å; N941-T945 WeakPolarHBondContact O-CG2 3.3Å; N941-T945 PolarHBondContact O-N 3.47Å; N941-T945 PolarHBondContact O-OG1 3.08Å
942	A	86.4	Confident	85.9	Confident	60 Å²	60	100.2 Å²	100.2	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-35.9	173.2	0	0	0	0	0	112.2	K938 A939 L940 T945 N946	K938-A942 WeakPolarHBondContact O-CB 3.41Å; K938-A942 PolarHBondContact O-N 3.39Å; A939-A942 PolarHBondContact O-N 3.06Å; L940-A942 VanDerWaalsContact C-N 3.34Å; L940-A942 PolarHBondContact O-N 2.75Å; A942-T945 PolarHBondContact O-OG1 3.16Å; A942-N946 WeakPolarHBondContact O-CB 3.34Å; A942-N946 PolarHBondContact O-N 3.01Å
943	K	86.9	Confident	85.8	Confident	137 Å²	137	98 Å²	98	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-69.3	-44.5	171.5	-71.7	166.5	-175.7	171.9	0	111.5	A939 L940 N941 N946 I947	A939-K943 VanDerWaalsContact O-CG 3.31Å; A939-K943 WeakPolarHBondContact O-CG 3.39Å; A939-K943 PolarHBondContact O-N 2.93Å; L940-K943 PolarHBondContact O-N 3.12Å; N941-K943 VanDerWaalsContact C-N 3.35Å; K943-N946 PolarHBondContact O-N 3.41Å; K943-I947 WeakPolarHBondContact O-CG1 3.3Å; K943-I947 PolarHBondContact O-N 3.12Å
944	M	87.1	Confident	86	Confident	98 Å²	98	97.6 Å²	97.6	48%	0.483	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-51.3	178.8	-172.8	66.1	-175.2	0	0	111.7	L940 N941 N946 I947 E948	L940-M944 WeakPolarHBondContact O-CB 3.49Å; L940-M944 PolarHBondContact O-N 3.08Å; N941-M944 PolarHBondContact O-N 2.95Å; M944-N946 PolarHBondContact O-N 3.05Å; M944-I947 CarbonylContact O-C 3.56Å; M944-I947 WeakPolarHBondContact O-CA 3.45Å; M944-I947 WeakPolarHBondContact O-CB 3.47Å; M944-I947 PolarHBondContact O-N 3.2Å; M944-E948 HydrophobicContact CE-CG 4.43Å; M944-E948 WeakPolarHBondContact O-CG 3.38Å; M944-E948 PolarHBondContact O-N 3.09Å
945	T	88.3	Confident	85.6	Confident	73 Å²	73	95.7 Å²	95.7	45%	0.448	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-25.4	178.2	50.3	0	0	0	0	113.5	N941 A942 K949	N941-T945 WeakPolarHBondContact O-CG2 3.3Å; N941-T945 PolarHBondContact O-N 3.47Å; N941-T945 PolarHBondContact O-OG1 3.08Å; A942-T945 PolarHBondContact O-OG1 3.16Å; T945-K949 WeakPolarHBondContact O-CG 3.42Å; T945-K949 PolarHBondContact O-N 3.32Å; T945-K949 VanDerWaalsContact O-N 3.08Å
946	N	87.1	Confident	85.4	Confident	94 Å²	94	99 Å²	99	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-75.4	-39	171.1	-161.4	8	0	0	0	111.8	A942 K943 M944 K949 Q950	A942-N946 WeakPolarHBondContact O-CB 3.34Å; A942-N946 PolarHBondContact O-N 3.01Å; K943-N946 PolarHBondContact O-N 3.41Å; M944-N946 PolarHBondContact O-N 3.05Å; N946-K949 WeakPolarHBondContact O-CB 3.47Å; N946-K949 PolarHBondContact O-N 2.66Å; N946-Q950 WeakPolarHBondContact O-CG 3.26Å; N946-Q950 PolarHBondContact O-N 2.78Å
947	I	86.8	Confident	85.1	Confident	90 Å²	90	97.8 Å²	97.8	46%	0.462	50%	0.497	S	S	.	.	H	α-helix	trans	-62.8	-42.1	171.6	-68.5	163.7	0	0	0	110.5	K943 M944 K949 Q950 L951	K943-I947 WeakPolarHBondContact O-CG1 3.3Å; K943-I947 PolarHBondContact O-N 3.12Å; M944-I947 CarbonylContact O-C 3.56Å; M944-I947 WeakPolarHBondContact O-CA 3.45Å; M944-I947 WeakPolarHBondContact O-CB 3.47Å; M944-I947 PolarHBondContact O-N 3.2Å; I947-K949 VanDerWaalsContact C-N 3.35Å; I947-K949 PolarHBondContact O-N 2.92Å; I947-Q950 PolarHBondContact O-N 3.06Å; I947-L951 VanDerWaalsContact O-CB 3.27Å; I947-L951 WeakPolarHBondContact O-CB 3.39Å; I947-L951 PolarHBondContact O-N 3.14Å
948	E	87.8	Confident	84.3	Confident	99 Å²	99	98.2 Å²	98.2	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-39	174.2	-70.8	170.7	165.5	0	0	112.2	M944 L951 S952	M944-E948 HydrophobicContact CE-CG 4.43Å; M944-E948 WeakPolarHBondContact O-CG 3.38Å; M944-E948 PolarHBondContact O-N 3.09Å; E948-L951 PolarHBondContact O-N 3.28Å; E948-S952 VanDerWaalsContact O-CB 3.26Å; E948-S952 WeakPolarHBondContact O-CB 3.49Å; E948-S952 PolarHBondContact O-N 2.78Å; E948-S952 PolarHBondContact O-OG 3.34Å
949	K	87.6	Confident	83.6	Confident	151 Å²	151	97 Å²	97	66%	0.657	50%	0.502	S	S	*	.	H	α-helix	trans	-63.3	-43.5	170.6	-82.9	-175.9	174.8	-178.4	0	112.7	T945 N946 I947 S952 E953	T945-K949 WeakPolarHBondContact O-CG 3.42Å; T945-K949 PolarHBondContact O-N 3.32Å; T945-K949 VanDerWaalsContact O-N 3.08Å; N946-K949 WeakPolarHBondContact O-CB 3.47Å; N946-K949 PolarHBondContact O-N 2.66Å; I947-K949 VanDerWaalsContact C-N 3.35Å; I947-K949 PolarHBondContact O-N 2.92Å; K949-S952 WeakPolarHBondContact CA-OG 3.16Å; K949-S952 PolarHBondContact O-OG 3.39Å; K949-S952 VanDerWaalsContact O-OG 3.09Å; K949-E953 VanDerWaalsContact O-CB 3.31Å; K949-E953 WeakPolarHBondContact O-CB 3.46Å; K949-E953 PolarHBondContact O-N 3.37Å
950	Q	86.6	Confident	82.6	Confident	119 Å²	119	97.9 Å²	97.9	56%	0.556	51%	0.506	S	S	*	.	H	α-helix	trans	-65.1	-42	175.6	-72.6	-176.5	-19.6	0	0	112	N946 I947 E953 I954	N946-Q950 WeakPolarHBondContact O-CG 3.26Å; N946-Q950 PolarHBondContact O-N 2.78Å; I947-Q950 PolarHBondContact O-N 3.06Å; Q950-E953 PolarHBondContact O-N 2.9Å; Q950-I954 WeakPolarHBondContact O-CB 3.35Å; Q950-I954 WeakPolarHBondContact O-CD1 3.37Å; Q950-I954 WeakPolarHBondContact O-CG1 3.14Å; Q950-I954 PolarHBondContact O-N 2.79Å
951	L	85.8	Confident	81	Confident	99 Å²	99	100.6 Å²	100.6	52%	0.518	51%	0.508	S	S	.	.	H	α-helix	trans	-70.4	-39.5	-178.2	-158.6	157.9	0	0	0	111.2	I947 E948 I954 L955	I947-L951 VanDerWaalsContact O-CB 3.27Å; I947-L951 WeakPolarHBondContact O-CB 3.39Å; I947-L951 PolarHBondContact O-N 3.14Å; E948-L951 PolarHBondContact O-N 3.28Å; L951-I954 PolarHBondContact O-N 2.9Å; L951-L955 HydrophobicContact CD2-CD1 3.68Å; L951-L955 HydrophobicContact CD2-CG 4.14Å; L951-L955 WeakPolarHBondContact O-CB 3.26Å; L951-L955 WeakPolarHBondContact O-CG 2.97Å; L951-L955 PolarHBondContact O-N 3.48Å
952	S	84.9	Confident	79.4	Confident	66 Å²	66	106.7 Å²	106.7	46%	0.462	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-36.3	172.6	56.1	0	0	0	0	113	E948 K949 L955 R956	E948-S952 VanDerWaalsContact O-CB 3.26Å; E948-S952 WeakPolarHBondContact O-CB 3.49Å; E948-S952 PolarHBondContact O-N 2.78Å; E948-S952 PolarHBondContact O-OG 3.34Å; K949-S952 WeakPolarHBondContact CA-OG 3.16Å; K949-S952 PolarHBondContact O-OG 3.39Å; K949-S952 VanDerWaalsContact O-OG 3.09Å; S952-L955 PolarHBondContact O-N 3.36Å; S952-R956 WeakPolarHBondContact O-CB 3.01Å; S952-R956 PolarHBondContact O-N 3.42Å
953	E	83.9	Confident	77.6	Confident	80 Å²	80	108.7 Å²	108.7	37%	0.374	54%	0.535	S	S	.	.	H	α-helix	trans	-69.2	-39	172.5	-176.6	62.8	-173.6	0	0	112.1	K949 Q950 R956 I957	K949-E953 VanDerWaalsContact O-CB 3.31Å; K949-E953 WeakPolarHBondContact O-CB 3.46Å; K949-E953 PolarHBondContact O-N 3.37Å; Q950-E953 PolarHBondContact O-N 2.9Å; E953-R956 WeakPolarHBondContact O-CB 3.46Å; E953-R956 PolarHBondContact O-N 3.01Å; E953-R956 IonicContact OE1-CZ 2.83Å; E953-R956 IonicContact OE1-NE 2.67Å; E953-R956 PolarHBondContact OE1-NE 2.91Å; E953-R956 IonicContact OE1-NH2 2.7Å; E953-R956 PolarHBondContact OE1-NH2 3.45Å; E953-R956 IonicContact OE2-CZ 2.73Å; E953-R956 IonicContact OE2-NE 3.7Å; E953-R956 PolarHBondContact OE2-NE 3.17Å; E953-R956 IonicContact OE2-NH2 3.17Å; E953-R956 PolarHBondContact OE2-NH2 3.48Å; E953-I957 HydrophobicContact CG-CD1 4.16Å; E953-I957 VanDerWaalsContact O-CG1 3.31Å; E953-I957 WeakPolarHBondContact O-CG1 3.48Å; E953-I957 PolarHBondContact O-N 3.47Å
954	I	82.6	Confident	75.8	Confident	98 Å²	98	106.4 Å²	106.4	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-60.9	-44.8	171.1	-72.5	162.8	0	0	0	110.4	Q950 L951 R956 I957 L958	Q950-I954 WeakPolarHBondContact O-CB 3.35Å; Q950-I954 WeakPolarHBondContact O-CD1 3.37Å; Q950-I954 WeakPolarHBondContact O-CG1 3.14Å; Q950-I954 PolarHBondContact O-N 2.79Å; L951-I954 PolarHBondContact O-N 2.9Å; I954-R956 VanDerWaalsContact C-N 3.32Å; I954-R956 PolarHBondContact O-N 3.4Å; I954-I957 PolarHBondContact O-N 3.09Å; I954-L958 HydrophobicContact CG2-CD1 3.87Å; I954-L958 HydrophobicContact CG2-CG 4.39Å; I954-L958 WeakPolarHBondContact O-CB 3.45Å; I954-L958 VanDerWaalsContact O-CG 3.28Å; I954-L958 WeakPolarHBondContact O-CG 3.46Å; I954-L958 PolarHBondContact O-N 3.39Å
955	L	77.8	Confident	73.7	Confident	93 Å²	93	108.4 Å²	108.4	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-38	173.9	-75.9	170.6	0	0	0	112	L951 S952 L958 T959	L951-L955 HydrophobicContact CD2-CD1 3.68Å; L951-L955 HydrophobicContact CD2-CG 4.14Å; L951-L955 WeakPolarHBondContact O-CB 3.26Å; L951-L955 WeakPolarHBondContact O-CG 2.97Å; L951-L955 PolarHBondContact O-N 3.48Å; S952-L955 PolarHBondContact O-N 3.36Å; L955-L958 PolarHBondContact O-N 2.98Å; L955-T959 VanDerWaalsContact O-CB 3.28Å; L955-T959 WeakPolarHBondContact O-CB 3.41Å; L955-T959 PolarHBondContact O-N 2.94Å; L955-T959 PolarHBondContact O-OG1 2.97Å
956	R	82.3	Confident	71.2	Confident	152 Å²	152	110 Å²	110	57%	0.574	56%	0.558	S	S	*	*	H	α-helix	trans	-62.4	-45.7	174.6	-163.5	-179.9	73	85.2	1.5	111.3	S952 E953 I954 T959 S960	S952-R956 WeakPolarHBondContact O-CB 3.01Å; S952-R956 PolarHBondContact O-N 3.42Å; E953-R956 WeakPolarHBondContact O-CB 3.46Å; E953-R956 PolarHBondContact O-N 3.01Å; E953-R956 IonicContact OE1-CZ 2.83Å; E953-R956 IonicContact OE1-NE 2.67Å; E953-R956 PolarHBondContact OE1-NE 2.91Å; E953-R956 IonicContact OE1-NH2 2.7Å; E953-R956 PolarHBondContact OE1-NH2 3.45Å; E953-R956 IonicContact OE2-CZ 2.73Å; E953-R956 IonicContact OE2-NE 3.7Å; E953-R956 PolarHBondContact OE2-NE 3.17Å; E953-R956 IonicContact OE2-NH2 3.17Å; E953-R956 PolarHBondContact OE2-NH2 3.48Å; I954-R956 VanDerWaalsContact C-N 3.32Å; I954-R956 PolarHBondContact O-N 3.4Å; R956-T959 PolarHBondContact O-N 3.09Å; R956-S960 PolarHBondContact O-N 3Å; R956-S960 PolarHBondContact O-OG 3.18Å
957	I	78.3	Confident	68.9	Low	82 Å²	82	111.8 Å²	111.8	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-65.8	-42	177.6	-68.7	164.5	0	0	0	111.8	E953 I954 T959 S960 R961	E953-I957 HydrophobicContact CG-CD1 4.16Å; E953-I957 VanDerWaalsContact O-CG1 3.31Å; E953-I957 WeakPolarHBondContact O-CG1 3.48Å; E953-I957 PolarHBondContact O-N 3.47Å; I954-I957 PolarHBondContact O-N 3.09Å; I957-T959 VanDerWaalsContact C-N 3.35Å; I957-S960 WeakPolarHBondContact CA-OG 3.5Å; I957-S960 PolarHBondContact O-N 3.38Å; I957-S960 PolarHBondContact O-OG 2.99Å; I957-R961 PolarHBondContact O-N 3.38Å
958	L	69.9	Low	66.5	Low	100 Å²	100	115.9 Å²	115.9	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-64.6	-40.2	175.1	-73	170.3	0	0	0	111.4	I954 L955 R961 R962	I954-L958 HydrophobicContact CG2-CD1 3.87Å; I954-L958 HydrophobicContact CG2-CG 4.39Å; I954-L958 WeakPolarHBondContact O-CB 3.45Å; I954-L958 VanDerWaalsContact O-CG 3.28Å; I954-L958 WeakPolarHBondContact O-CG 3.46Å; I954-L958 PolarHBondContact O-N 3.39Å; L955-L958 PolarHBondContact O-N 2.98Å; L958-R961 PolarHBondContact O-N 3.05Å; L958-R962 WeakPolarHBondContact O-CB 3.28Å; L958-R962 PolarHBondContact O-N 3.44Å
959	T	71.1	Confident	64.1	Low	92 Å²	92	120.2 Å²	120.2	56%	0.564	61%	0.612	S	S	*	*	H	α-helix	trans	-68.6	-41.6	177.2	-54.5	0	0	0	0	111.2	L955 R956 I957 R961 R962 S963	L955-T959 VanDerWaalsContact O-CB 3.28Å; L955-T959 WeakPolarHBondContact O-CB 3.41Å; L955-T959 PolarHBondContact O-N 2.94Å; L955-T959 PolarHBondContact O-OG1 2.97Å; R956-T959 PolarHBondContact O-N 3.09Å; I957-T959 VanDerWaalsContact C-N 3.35Å; T959-R961 PolarHBondContact O-N 3.41Å; T959-R962 WeakPolarHBondContact O-CB 3.47Å; T959-R962 PolarHBondContact O-N 3.01Å; T959-R962 VanDerWaalsContact O-N 3.1Å; T959-S963 PolarHBondContact O-N 3Å; T959-S963 PolarHBondContact O-OG 2.8Å
960	S	65	Low	61.5	Low	60 Å²	60	120.3 Å²	120.3	42%	0.42	62%	0.619	S	S	.	*	H	α-helix	trans	-65.9	-36.3	175.8	63	0	0	0	0	112.7	R956 I957 R962 S963 S964	R956-S960 PolarHBondContact O-N 3Å; R956-S960 PolarHBondContact O-OG 3.18Å; I957-S960 WeakPolarHBondContact CA-OG 3.5Å; I957-S960 PolarHBondContact O-N 3.38Å; I957-S960 PolarHBondContact O-OG 2.99Å; S960-R962 VanDerWaalsContact C-N 3.32Å; S960-S963 WeakPolarHBondContact CA-OG 3.25Å; S960-S963 PolarHBondContact O-N 3.34Å; S960-S963 PolarHBondContact O-OG 3.32Å; S960-S964 PolarHBondContact O-N 2.85Å; S960-S964 PolarHBondContact O-OG 2.66Å
961	R	52.9	Low	58.9	Low	175 Å²	175	124.7 Å²	124.7	66%	0.66	64%	0.637	S	S	*	*	H	α-helix	trans	-62.9	-38.6	169.6	-92.4	-172.7	165.9	-168.3	-4.5	112.2	I957 L958 T959 S963 S964	I957-R961 PolarHBondContact O-N 3.38Å; L958-R961 PolarHBondContact O-N 3.05Å; T959-R961 PolarHBondContact O-N 3.41Å; R961-S963 VanDerWaalsContact C-N 3.27Å; R961-S963 PolarHBondContact O-N 3.26Å; R961-S964 PolarHBondContact O-N 2.76Å; R961-S964 PolarHBondContact O-OG 2.76Å; R961-S964 VanDerWaalsContact O-OG 3.11Å
962	R	48.6	Very low	56.5	Low	222 Å²	222	129 Å²	129	84%	0.838	65%	0.654	S	S	*	*	H	α-helix	trans	-69.9	-22	178.4	-156	174.8	-168.8	178.7	3.2	113.3	L958 T959 S960	L958-R962 WeakPolarHBondContact O-CB 3.28Å; L958-R962 PolarHBondContact O-N 3.44Å; T959-R962 WeakPolarHBondContact O-CB 3.47Å; T959-R962 PolarHBondContact O-N 3.01Å; T959-R962 VanDerWaalsContact O-N 3.1Å; S960-R962 VanDerWaalsContact C-N 3.32Å
963	S	48.1	Very low	54.1	Low	103 Å²	103	133.7 Å²	133.7	72%	0.72	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-11.1	171.4	52.3	0	0	0	0	114.9	T959 S960 R961	T959-S963 PolarHBondContact O-N 3Å; T959-S963 PolarHBondContact O-OG 2.8Å; S960-S963 WeakPolarHBondContact CA-OG 3.25Å; S960-S963 PolarHBondContact O-N 3.34Å; S960-S963 PolarHBondContact O-OG 3.32Å; R961-S963 VanDerWaalsContact C-N 3.27Å; R961-S963 PolarHBondContact O-N 3.26Å
964	S	49.5	Very low	51.7	Low	88 Å²	88	135.3 Å²	135.3	62%	0.615	69%	0.693	S	S	*	*	S	Bend	trans	-110.5	4.3	-175.6	61.6	0	0	0	0	114.9	S960 R961	S960-S964 PolarHBondContact O-N 2.85Å; S960-S964 PolarHBondContact O-OG 2.66Å; R961-S964 PolarHBondContact O-N 2.76Å; R961-S964 PolarHBondContact O-OG 2.76Å; R961-S964 VanDerWaalsContact O-OG 3.11Å
965	Q	43.3	Very low	49.2	Very low	141 Å²	141	142 Å²	142	66%	0.659	71%	0.712	S	S	*	*			trans	-137.6	115.8	173.8	-68.1	-172.2	-59.1	0	0	110.7
966	S	35	Very low	47	Very low	105 Å²	105	143.7 Å²	143.7	73%	0.734	73%	0.728	S	S	*	*			trans	-68.6	133.8	169.9	45.8	0	0	0	0	110.6	Q968	S966-Q968 PolarHBondContact O-N 2.71Å
967	P	38.1	Very low	44.6	Very low	133 Å²	133	145.9 Å²	145.9	86%	0.864	75%	0.745	S	S	*	*	S	Bend	trans	-83.4	73.2	-172.2	34.2	-36.9	0	0	0	113
968	Q	36.4	Very low	42.2	Very low	176 Å²	176	147.3 Å²	147.3	82%	0.822	76%	0.762	S	S	*	*			trans	-129.7	153	157	-72.8	-177.7	-65	0	0	108.6	S966	S966-Q968 PolarHBondContact O-N 2.71Å
969	E	38.6	Very low	40.9	Very low	190 Å²	190	148.3 Å²	148.3	89%	0.888	78%	0.775	S	S	*	*	S	Bend	trans	58.3	74.3	176.4	-59.5	-178.2	-169	0	0	117
970	L	33.3	Very low	38.9	Very low	152 Å²	152	153.1 Å²	153.1	80%	0.796	79%	0.791	S	S	*	*	S	Bend	trans	-160	17	155	-119	169	0	0	0	116.6
971	F	32.1	Very low	37.2	Very low	212 Å²	212	155.7 Å²	155.7	93%	0.93	81%	0.809	S	S	*	*	S	Bend	trans	-132.1	25.5	178.4	-102.6	-73.9	0	0	0	115.2
972	E	34.4	Very low	36.3	Very low	190 Å²	190	156.7 Å²	156.7	89%	0.888	82%	0.821	S	S	*	*			trans	-112.8	98.8	159.2	-71.5	-160.5	138.4	0	0	110.2
973	I	33.9	Very low	35.5	Very low	163 Å²	163	156.7 Å²	156.7	84%	0.836	82%	0.821	S	S	*	*			trans	-172.4	144	154	-100.1	150.5	0	0	0	107.7
974	S	33.9	Very low	34.7	Very low	115 Å²	115	158.5 Å²	158.5	80%	0.804	82%	0.822	S	S	*	*			trans	70.9	59.3	170.1	71.5	0	0	0	0	119.3
975	R	30.2	Very low	34.1	Very low	239 Å²	239	161.9 Å²	161.9	90%	0.902	83%	0.832	S	S	*	*			trans	-131.9	136	135.2	-101.7	-174.2	175.9	176.6	-0.7	110.6
976	P	33	Very low	33.6	Very low	128 Å²	128	165.5 Å²	165.5	83%	0.831	85%	0.846	S	S	*	*			trans	-77	154.3	-178.5	32.1	-35.2	0	0	0	112
977	Q	30.9	Very low	33.4	Very low	198 Å²	198	163.8 Å²	163.8	93%	0.925	85%	0.845	S	S	*	*			trans	-77.6	148.1	180	-67.3	171.1	-48.9	0	0	112.9
978	S	28	Very low	33.4	Very low	112 Å²	112	162.2 Å²	162.2	78%	0.783	84%	0.843	S	S	*	*			trans	-133	128.3	148.4	55	0	0	0	0	107
979	P	42.8	Very low	33.4	Very low	121 Å²	121	163.5 Å²	163.5	79%	0.786	87%	0.871	S	S	*	*			trans	-87.6	145.1	-168.7	34.3	-35	0	0	0	112.7
980	E	29.1	Very low	33.1	Very low	193 Å²	193	162.2 Å²	162.2	90%	0.902	87%	0.87	S	S	*	*			trans	-168	167	141.9	-114.3	167.3	-148.4	0	0	111.3
981	S	29.7	Very low	33.1	Very low	114 Å²	114	162.7 Å²	162.7	80%	0.797	87%	0.874	S	S	*	*			trans	69.3	65.9	176.6	73.1	0	0	0	0	119.1
982	E	33.3	Very low	33.2	Very low	195 Å²	195	159.9 Å²	159.9	91%	0.911	87%	0.871	S	S	*	*			trans	-77.1	117.3	134.6	-75.2	-173.2	135.3	0	0	108.2
983	R	32	Very low	33.1	Very low	222 Å²	222	158.2 Å²	158.2	84%	0.838	87%	0.87	S	S	*	*			trans	164.6	133.1	164.1	-95.6	176.6	-160.1	-172.7	5.3	107.8
984	D	31.2	Very low	33	Very low	141 Å²	141	157.9 Å²	157.9	75%	0.754	87%	0.872	S	S	*	*			cis	-140	150.3	0	-88.8	-60.5	0	0	0	110.6
985	I	36.3	Very low	33	Very low	159 Å²	159	160.7 Å²	160.7	82%	0.815	88%	0.877	S	S	*	*			trans	-100.4	104.4	172.2	-61.9	171	0	0	0	108.8
986	F	33.1	Very low	33.2	Very low	217 Å²	217	155.1 Å²	155.1	95%	0.952	88%	0.875	S	S	*	*			trans	-169.5	137.4	154.3	-84.5	-63.5	0	0	0	108.5
987	G	30.8	Very low	33.2	Very low	69 Å²	69	157.2 Å²	157.2	71%	0.711	88%	0.879	S	S	*	*			cis	-175.2	172.5	-3.3	0	0	0	0	0	111.9
988	A	38.3	Very low	33.4	Very low	101 Å²	101	153.8 Å²	153.8	84%	0.835	88%	0.875	S	S	*	*			trans	-39.9	133.3	-171.2	0	0	0	0	0	119
989	S	36.1	Very low	33.9	Very low	202 Å²	202	157.6 Å²	157.6	100%	1.413	88%	0.883	S	S	*	*			trans	-159.1	0	131.1	-74.3	0	0	0	0	109.5

Retrieved 989 of 989 residues in 332.8 ms (Link to these results)

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