A0A087YPC5_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YPC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 965 aa.

						>A0A087YPC5_POEFO|A0A087YPC5
MRKFFDSRRELVSSGPGSGGGGGSSSGSSHAGGNFIGRAFTVGRHQVTVEEIIAEGGFAIVFLVKTNQGVRCALKRMYVNNEHDLQVCKQEIQIMKDLVGHKNIVGYLDSSITALGSRDVWEVLILMDYCKGGQVVNLMNQRLQTGFTESEVLQIFCDTCDAVSRLHQRKAPIVHRDLKVENILLHDKGHYVLCDFGSATSRFQNPQTEGVAAAEEEIKKYTTLSYRAPEMVNLYNNKIITTKADVWALGCLLYKLCFFTLPFGESQVAICDGSFTIPDNSRYSYDLHCLIRYMLEPDPDKRPDIYQVSYFAFKLAQRTCPVQNVKNSPIPPTLPEPIKASEAAAAKKSQTKPRLTDPIPTTETSITPRQRPKAVHTQPAAGILPIQPAALTPRKRANLSGAAAQSVGTYFTPPLLCFCHQKRVSLDLSQPAAALQSQKAQTSAQPFIQTQTNANQAAAPLKQVQTVVQENSLLLFSCEIMNHLHYPTVQPAAAPGAETAASAASQVAKADAAPHAQPTSQQQATPSSSVVSAAPPQAAQTPSSPAAPQRPARRKQPGQTQPPEVQPSPSKASPGQPEAAAQQETPAPSQPAFAEASQKSAQIVRGQATSDLHLFCPFPEVHSHMSVEQTPPETPKTSEDRGHQRVPSDAASNGAAAPVSDSTQLLQPSLCDAVQDQTKAAATVPSSGSSNTPTQPAWNPFDNDNFSNFTADGFKADDKKSSGKITDMVSDSEETPSEELIPGLQASSVENTSQENGIDKSERPSAILDSGASLLVVPDPFHTLELSDAPEKLIEGLKSPDTSSLMLPDLLSLSDPFGGSVESVKVQDPLTADDSLLGSLISGPPAAPGSATSSVSSAPTSTTSALDDFSLLSGDSLQPKGGLSPFKIIVPNHKSSDSSLLISDFEAQAASAEAATEDDFDPIPVTGRKNSQVSGGHSRSNSGGSESSLPSLARSLMLVDQLIDL
					

Structure Viewer

Loading PAE data...

(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	50.3	Low	58.4	Low	71 Å²	71	86.6 Å²	86.6	35%	0.35	40%	0.404	S	S	.	.				0	-77.3	0	-73.3	-173.8	-79.1	0	0	112.9	K3 F4 F5 F58 V79 D84	M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.09Å; M1-F4 WeakPolarHBondContact O-CA 3.47Å; M1-F4 VanDerWaalsContact O-CB 3.3Å; M1-F4 WeakPolarHBondContact O-CB 3.09Å; M1-F4 PolarHBondContact O-N 2.86Å; M1-F5 PolarHBondContact O-N 3.16Å; M1-F58 HydrophobicContact CB-CD1 3.55Å; M1-F58 HydrophobicContact CB-CE1 3.8Å; M1-F58 HydrophobicContact CE-CD1 4Å; M1-F58 HydrophobicContact CE-CE1 4.25Å; M1-F58 HydrophobicContact SD-CD1 4.32Å; M1-V79 HydrophobicContact SD-CG1 4.29Å; M1-D84 HydrophobicContact CE-CB 4.27Å; M1-D84 VanDerWaalsContact CE-OD2 3.28Å; M1-D84 WeakPolarHBondContact CE-OD2 3.35Å; M1-D84 HydrophobicContact SD-CB 4.03Å
2	R	51.9	Low	57.7	Low	134 Å²	134	81.8 Å²	81.8	51%	0.506	38%	0.384	S	S	.	.	H	α-helix	trans	-20.7	-73.3	-174.1	-164.3	165.4	179.4	-180	-3	116.8	F4 F5 D6 G57	R2-F4 PolarHBondContact O-N 3.27Å; R2-F5 CarbonylContact O-C 3.56Å; R2-F5 WeakPolarHBondContact O-CA 3.49Å; R2-F5 WeakPolarHBondContact O-CB 3.5Å; R2-F5 PolarHBondContact O-N 3.14Å; R2-D6 WeakPolarHBondContact CG-OD2 3.33Å; R2-D6 PolarHBondContact O-N 3.42Å; R2-G57 WeakPolarHBondContact CA-O 3.17Å; R2-G57 VanDerWaalsContact CB-O 3.26Å; R2-G57 WeakPolarHBondContact CB-O 3.35Å; R2-G57 PolarHBondContact N-O 2.85Å
3	K	57.9	Low	56.7	Low	180 Å²	180	79.5 Å²	79.5	78%	0.783	38%	0.383	S	S	*	.	H	α-helix	trans	-47.5	-35.8	178.3	-62.3	-173.7	178.2	-175.5	0	115.8	M1 D6 S7	M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.09Å; K3-D6 VanDerWaalsContact CA-OD2 3.29Å; K3-D6 WeakPolarHBondContact CA-OD2 3.44Å; K3-D6 PolarHBondContact N-OD2 2.91Å; K3-S7 WeakPolarHBondContact O-CB 3.31Å; K3-S7 PolarHBondContact O-N 2.86Å; K3-S7 VanDerWaalsContact O-N 3.09Å; K3-S7 PolarHBondContact O-OG 2.86Å
4	F	61.5	Low	55.1	Low	51 Å²	51	80.2 Å²	80.2	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-75.8	-39	175.6	170.9	-88.2	0	0	0	112.4	M1 R2 S7 R8 N80 V120	M1-F4 WeakPolarHBondContact O-CA 3.47Å; M1-F4 VanDerWaalsContact O-CB 3.3Å; M1-F4 WeakPolarHBondContact O-CB 3.09Å; M1-F4 PolarHBondContact O-N 2.86Å; R2-F4 PolarHBondContact O-N 3.27Å; F4-S7 PolarHBondContact O-N 3.27Å; F4-R8 HydrophobicContact CD1-CG 4.42Å; F4-R8 HydrophobicContact CE1-CG 3.86Å; F4-R8 HydrophobicContact CE2-CG 4.19Å; F4-R8 HydrophobicContact CZ-CG 3.72Å; F4-R8 WeakPolarHBondContact O-CB 3.48Å; F4-R8 WeakPolarHBondContact O-CG 3.47Å; F4-R8 PolarHBondContact O-N 2.83Å; F4-N80 HydrophobicContact CD1-CB 4.08Å; F4-N80 HydrophobicContact CD2-CB 4.37Å; F4-N80 HydrophobicContact CE1-CB 3.7Å; F4-N80 HydrophobicContact CE2-CB 4.01Å; F4-N80 HydrophobicContact CG-CB 4.41Å; F4-N80 HydrophobicContact CZ-CB 3.67Å; F4-V120 HydrophobicContact CE1-CG1 4.25Å; F4-V120 HydrophobicContact CE1-CG2 4.49Å; F4-V120 HydrophobicContact CE2-CG2 4.1Å; F4-V120 HydrophobicContact CZ-CB 4.34Å; F4-V120 HydrophobicContact CZ-CG1 3.78Å; F4-V120 HydrophobicContact CZ-CG2 3.53Å
5	F	63.5	Low	53.6	Low	3 Å²	3	78 Å²	78	1%	0.013	41%	0.406	C	S	.	.	H	α-helix	trans	-63.6	-46.3	173.4	-174.5	-92.5	0	0	0	110.4	M1 R2 S7 R8 R9 I60 Y78	M1-F5 PolarHBondContact O-N 3.16Å; R2-F5 CarbonylContact O-C 3.56Å; R2-F5 WeakPolarHBondContact O-CA 3.49Å; R2-F5 WeakPolarHBondContact O-CB 3.5Å; R2-F5 PolarHBondContact O-N 3.14Å; F5-S7 PolarHBondContact O-N 2.8Å; F5-R8 CarbonylContact O-C 3.22Å; F5-R8 PolarHBondContact O-N 3.01Å; F5-R8 VanDerWaalsContact O-N 3.11Å; F5-R9 PolarHBondContact O-N 2.89Å; F5-I60 HydrophobicContact CE1-CD1 3.9Å; F5-I60 HydrophobicContact CE1-CG1 3.84Å; F5-I60 HydrophobicContact CZ-CB 4.47Å; F5-I60 HydrophobicContact CZ-CD1 3.88Å; F5-I60 HydrophobicContact CZ-CG1 3.8Å; F5-Y78 AromaticContact CD2-CD2 3.64Å; F5-Y78 HydrophobicContact CD2-CD2 3.64Å; F5-Y78 HydrophobicContact CD2-CG 4.3Å; F5-Y78 AromaticContact CE2-CD2 3.64Å; F5-Y78 HydrophobicContact CE2-CD2 3.64Å; F5-Y78 HydrophobicContact CE2-CE2 4.26Å; F5-Y78 HydrophobicContact CE2-CG 4.38Å
6	D	65.2	Low	52.4	Low	57 Å²	57	82 Å²	82	31%	0.305	44%	0.438	S	S	.	.	H	α-helix	trans	-55.8	-49.5	174.5	-48.9	-34.6	0	0	0	110.7	R2 K3 R8 R9 E10	R2-D6 WeakPolarHBondContact CG-OD2 3.33Å; R2-D6 PolarHBondContact O-N 3.42Å; K3-D6 VanDerWaalsContact CA-OD2 3.29Å; K3-D6 WeakPolarHBondContact CA-OD2 3.44Å; K3-D6 PolarHBondContact N-OD2 2.91Å; D6-R8 VanDerWaalsContact C-N 3.33Å; D6-R8 PolarHBondContact O-N 3.45Å; D6-R9 WeakPolarHBondContact O-CB 3.33Å; D6-R9 PolarHBondContact O-N 2.9Å; D6-E10 PolarHBondContact O-N 2.72Å
7	S	61.1	Low	51.3	Low	73 Å²	73	81.4 Å²	81.4	51%	0.51	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-37	176.1	-57.6	0	0	0	0	113.3	K3 F4 F5 L11	K3-S7 WeakPolarHBondContact O-CB 3.31Å; K3-S7 PolarHBondContact O-N 2.86Å; K3-S7 VanDerWaalsContact O-N 3.09Å; K3-S7 PolarHBondContact O-OG 2.86Å; F4-S7 PolarHBondContact O-N 3.27Å; F5-S7 PolarHBondContact O-N 2.8Å; S7-L11 PolarHBondContact O-N 3.34Å
8	R	66.1	Low	50.6	Low	55 Å²	55	84 Å²	84	21%	0.208	48%	0.48	C	S	.	.	H	α-helix	trans	-77.7	-28.6	177.4	-77.9	-77.6	-175.3	148.1	0.2	112.5	F4 F5 D6 V12 Y78	F4-R8 HydrophobicContact CD1-CG 4.42Å; F4-R8 HydrophobicContact CE1-CG 3.86Å; F4-R8 HydrophobicContact CE2-CG 4.19Å; F4-R8 HydrophobicContact CZ-CG 3.72Å; F4-R8 WeakPolarHBondContact O-CB 3.48Å; F4-R8 WeakPolarHBondContact O-CG 3.47Å; F4-R8 PolarHBondContact O-N 2.83Å; F5-R8 CarbonylContact O-C 3.22Å; F5-R8 PolarHBondContact O-N 3.01Å; F5-R8 VanDerWaalsContact O-N 3.11Å; D6-R8 VanDerWaalsContact C-N 3.33Å; D6-R8 PolarHBondContact O-N 3.45Å; R8-V12 WeakPolarHBondContact O-CG2 3.42Å; R8-V12 PolarHBondContact O-N 3.28Å; R8-Y78 HydrophobicContact CB-CD2 3.65Å; R8-Y78 HydrophobicContact CB-CE2 3.82Å; R8-Y78 HydrophobicContact CB-CG 4.26Å; R8-Y78 HydrophobicContact CG-CD2 4.5Å
9	R	59.6	Low	49.8	Very low	65 Å²	65	83.7 Å²	83.7	25%	0.245	50%	0.497	C	S	.	.	H	α-helix	trans	-60.1	-48.9	171.8	163.7	-174.8	160.2	178.1	-3	110.1	F5 D6 V12 S13 A31 E55	F5-R9 PolarHBondContact O-N 2.89Å; D6-R9 WeakPolarHBondContact O-CB 3.33Å; D6-R9 PolarHBondContact O-N 2.9Å; R9-V12 PolarHBondContact O-N 3.16Å; R9-S13 PolarHBondContact O-N 3.27Å; R9-A31 PolarHBondContact NH2-O 2.75Å; R9-E55 WeakPolarHBondContact CD-OE1 3.42Å; R9-E55 IonicContact CZ-OE1 3.73Å; R9-E55 IonicContact CZ-OE2 2.99Å; R9-E55 IonicContact NE-OE1 3.41Å; R9-E55 IonicContact NH1-OE1 2.7Å; R9-E55 PolarHBondContact NH1-OE1 2.89Å; R9-E55 IonicContact NH1-OE2 2.77Å; R9-E55 PolarHBondContact NH1-OE2 2.9Å; R9-E55 IonicContact NH2-OE2 2.64Å
10	E	55.1	Low	48.8	Very low	147 Å²	147	83.3 Å²	83.3	69%	0.687	51%	0.512	S	S	*	.	H	α-helix	trans	-63	-47.9	177.2	-66.2	-173.3	162.4	0	0	111.9	D6 V12 S13	D6-E10 PolarHBondContact O-N 2.72Å; E10-V12 PolarHBondContact O-N 3.03Å; E10-V12 VanDerWaalsContact O-N 3.14Å; E10-S13 WeakPolarHBondContact O-CB 3.48Å; E10-S13 PolarHBondContact O-N 2.97Å
11	L	50.4	Low	48	Very low	117 Å²	117	83.4 Å²	83.4	61%	0.613	53%	0.53	S	S	*	.	H	α-helix	trans	-62.8	-22.4	-177.6	-153.9	79.7	0	0	0	114.3	S7 S14	S7-L11 PolarHBondContact O-N 3.34Å; L11-S14 PolarHBondContact O-OG 3.08Å
12	V	49.5	Very low	47.1	Very low	28 Å²	28	84.3 Å²	84.3	17%	0.17	56%	0.557	C	S	.	*	H	α-helix	trans	-94.7	-9.9	178	176.1	0	0	0	0	112.5	R8 R9 E10 S14 F35 Y78	R8-V12 WeakPolarHBondContact O-CG2 3.42Å; R8-V12 PolarHBondContact O-N 3.28Å; R9-V12 PolarHBondContact O-N 3.16Å; E10-V12 PolarHBondContact O-N 3.03Å; E10-V12 VanDerWaalsContact O-N 3.14Å; V12-S14 VanDerWaalsContact C-N 3.29Å; V12-F35 HydrophobicContact CG1-CE1 4.24Å; V12-Y78 WeakPolarHBondContact CG2-OH 3.46Å
13	S	44.6	Very low	46.1	Very low	52 Å²	52	81.5 Å²	81.5	36%	0.364	57%	0.57	S	S	.	*	H	α-helix	trans	-70.4	-27	166.8	-161.8	0	0	0	0	112	R9 E10 N34	R9-S13 PolarHBondContact O-N 3.27Å; E10-S13 WeakPolarHBondContact O-CB 3.48Å; E10-S13 PolarHBondContact O-N 2.97Å; S13-N34 PolarHBondContact O-ND2 3.42Å; S13-N34 PolarHBondContact OG-ND2 3.48Å
14	S	34.8	Very low	45.1	Very low	90 Å²	90	79.3 Å²	79.3	63%	0.629	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	39.1	-176.3	46.3	0	0	0	0	114.2	L11 V12	L11-S14 PolarHBondContact O-OG 3.08Å; V12-S14 VanDerWaalsContact C-N 3.29Å
15	G	32.7	Very low	43.7	Very low	47 Å²	47	82.5 Å²	82.5	49%	0.485	61%	0.605	S	S	.	*			trans	-68.6	157.5	169	0	0	0	0	0	113.1	G17	G15-G17 PolarHBondContact O-N 2.92Å
16	P	35	Very low	42.6	Very low	142 Å²	142	88.8 Å²	88.8	92%	0.922	65%	0.65	S	S	*	*			trans	-70.7	102.3	-176.8	28.7	-34.6	0	0	0	111.6
17	G	33.2	Very low	40.8	Very low	71 Å²	71	89.5 Å²	89.5	73%	0.732	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-69.7	129.4	171	0	0	0	0	0	111.5	G15 G19	G15-G17 PolarHBondContact O-N 2.92Å; G17-G19 PolarHBondContact O-N 3.41Å
18	S	38.3	Very low	39.4	Very low	129 Å²	129	91.6 Å²	91.6	90%	0.902	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-62.7	120.8	168	-174.8	0	0	0	0	109
19	G	34.9	Very low	38	Very low	78 Å²	78	94.4 Å²	94.4	80%	0.804	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-70.7	140.5	-166.4	0	0	0	0	0	114.7	G17	G17-G19 PolarHBondContact O-N 3.41Å
20	G	31.3	Very low	37.1	Very low	76 Å²	76	99.8 Å²	99.8	78%	0.784	74%	0.741	S	S	*	*			trans	-178	119.9	169.6	0	0	0	0	0	113.5
21	G	32.3	Very low	36.3	Very low	86 Å²	86	97.2 Å²	97.2	89%	0.887	75%	0.745	S	S	*	*			trans	61.6	104.2	159.6	0	0	0	0	0	118.2
22	G	31.5	Very low	35.8	Very low	89 Å²	89	93 Å²	93	92%	0.918	73%	0.73	S	S	*	*			trans	-82.9	152	172.9	0	0	0	0	0	114.3
23	G	30.8	Very low	35.7	Very low	76 Å²	76	94.3 Å²	94.3	78%	0.784	75%	0.749	S	S	*	*			trans	-162.9	124.4	168.9	0	0	0	0	0	110.3
24	S	35.6	Very low	36.9	Very low	133 Å²	133	96.5 Å²	96.5	93%	0.93	76%	0.757	S	S	*	*			trans	-91.3	129.8	-170.7	-57.1	0	0	0	0	113.1
25	S	32.1	Very low	39.1	Very low	118 Å²	118	92.5 Å²	92.5	83%	0.825	73%	0.728	S	S	*	*			trans	-142.8	111.2	164.8	60.4	0	0	0	0	110.7
26	S	40	Very low	41.8	Very low	135 Å²	135	95.5 Å²	95.5	94%	0.944	73%	0.732	S	S	*	*			trans	-82.4	124.7	179	-56.2	0	0	0	0	111.3
27	G	28.7	Very low	44.4	Very low	72 Å²	72	91.3 Å²	91.3	74%	0.742	71%	0.714	S	S	*	*			trans	-175.9	115.3	174.3	0	0	0	0	0	115.2
28	S	31.9	Very low	47.2	Very low	118 Å²	118	92.5 Å²	92.5	83%	0.825	70%	0.697	S	S	*	*			trans	59.4	130.7	168.5	-155.9	0	0	0	0	118.7	H30	S28-H30 PolarHBondContact O-N 2.91Å
29	S	36.3	Very low	49.8	Very low	114 Å²	114	89 Å²	89	80%	0.797	68%	0.676	S	S	*	*			trans	-84.5	106.7	177	51.3	0	0	0	0	112.1
30	H	39.7	Very low	52.7	Low	177 Å²	177	86 Å²	86	82%	0.819	64%	0.64	S	S	*	*			trans	-135.4	106.1	162.7	-98.1	41.4	0	0	0	110	S28 G32	S28-H30 PolarHBondContact O-N 2.91Å; H30-G32 PolarHBondContact O-N 2.83Å
31	A	38.7	Very low	55.7	Low	93 Å²	93	86.6 Å²	86.6	77%	0.769	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	58.5	-174.2	0	0	0	0	0	113.1	R9	R9-A31 PolarHBondContact NH2-O 2.75Å
32	G	40.4	Very low	58.8	Low	30 Å²	30	82.5 Å²	82.5	31%	0.309	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-143.1	1.9	-176.6	0	0	0	0	0	116.7	H30 N34	H30-G32 PolarHBondContact O-N 2.83Å; G32-N34 PolarHBondContact O-N 2.95Å
33	G	46.3	Very low	61.7	Low	54 Å²	54	80.2 Å²	80.2	56%	0.557	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-68.7	-23.6	-165.5	0	0	0	0	0	117.7	F35	G33-F35 VanDerWaalsContact C-N 3.33Å; G33-F35 PolarHBondContact O-N 3.11Å
34	N	70.1	Confident	64.7	Low	98 Å²	98	86.3 Å²	86.3	52%	0.524	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-87.2	17.2	-162.2	-72.3	10.8	0	0	0	116	S13 G32	S13-N34 PolarHBondContact O-ND2 3.42Å; S13-N34 PolarHBondContact OG-ND2 3.48Å; G32-N34 PolarHBondContact O-N 2.95Å
35	F	81	Confident	67.5	Low	7 Å²	7	82.3 Å²	82.3	3%	0.031	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-107.2	-26.7	176.4	-61.1	-59.5	0	0	0	114.6	V12 G33 R38 V49 I52 F62	V12-F35 HydrophobicContact CG1-CE1 4.24Å; G33-F35 VanDerWaalsContact C-N 3.33Å; G33-F35 PolarHBondContact O-N 3.11Å; F35-R38 WeakPolarHBondContact O-CB 3.17Å; F35-R38 PolarHBondContact O-N 2.88Å; F35-R38 VanDerWaalsContact O-N 3.16Å; F35-V49 VanDerWaalsContact O-CB 3.29Å; F35-V49 WeakPolarHBondContact O-CB 3.49Å; F35-I52 HydrophobicContact CD2-CD1 4.32Å; F35-F62 HydrophobicContact CB-CD1 4.45Å; F35-F62 HydrophobicContact CB-CE1 3.63Å; F35-F62 HydrophobicContact CB-CZ 4.29Å; F35-F62 HydrophobicContact CD1-CZ 4.39Å; F35-F62 HydrophobicContact CD2-CE1 4.06Å; F35-F62 HydrophobicContact CD2-CZ 4.29Å; F35-F62 AromaticContact CG-CE1 3.83Å; F35-F62 HydrophobicContact CG-CE1 3.83Å; F35-F62 HydrophobicContact CG-CZ 4.06Å
36	I	89	Confident	70.6	Confident	110 Å²	110	81.9 Å²	81.9	56%	0.564	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	137.5	-178.1	-62.3	175.3	0	0	0	109.9	R38 E50	I36-R38 PolarHBondContact O-N 2.87Å; I36-E50 WeakPolarHBondContact CG2-O 3.27Å
37	G	89.5	Confident	73.3	Confident	53 Å²	53	75.5 Å²	75.5	55%	0.546	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-4.9	-175	0	0	0	0	0	114.9	V49	G37-V49 PolarHBondContact N-O 3.32Å
38	R	93	Very high	76.5	Confident	97 Å²	97	74.9 Å²	74.9	37%	0.366	45%	0.451	S	S	.	.			trans	-73	130.8	174.4	-173.2	172.1	176.6	144.4	-0.6	110.5	F35 I36 F40 T48 V49	F35-R38 WeakPolarHBondContact O-CB 3.17Å; F35-R38 PolarHBondContact O-N 2.88Å; F35-R38 VanDerWaalsContact O-N 3.16Å; I36-R38 PolarHBondContact O-N 2.87Å; R38-F40 HydrophobicContact CB-CE2 4.13Å; R38-F40 HydrophobicContact CG-CD2 4.37Å; R38-F40 HydrophobicContact CG-CE2 3.79Å; R38-F40 HydrophobicContact CG-CZ 4.12Å; R38-T48 WeakPolarHBondContact O-CA 3.29Å; R38-V49 PolarHBondContact O-N 3.12Å
39	A	93.6	Very high	79.7	Confident	56 Å²	56	69.4 Å²	69.4	46%	0.463	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	145.1	171.4	0	0	0	0	0	111.7	V47	A39-V47 CarbonylContact C-O 3.52Å; A39-V47 WeakPolarHBondContact CA-O 3.46Å
40	F	95.1	Very high	82.5	Confident	15 Å²	15	66.6 Å²	66.6	7%	0.066	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.7	172.4	-70.1	-91.2	0	0	0	109.7	R38 V42 Q46 V47 V49 L74 L124	R38-F40 HydrophobicContact CB-CE2 4.13Å; R38-F40 HydrophobicContact CG-CD2 4.37Å; R38-F40 HydrophobicContact CG-CE2 3.79Å; R38-F40 HydrophobicContact CG-CZ 4.12Å; F40-V42 HydrophobicContact CB-CG2 4.47Å; F40-Q46 WeakPolarHBondContact O-CA 3.49Å; F40-V47 HydrophobicContact CB-CG2 4.08Å; F40-V47 PolarHBondContact N-O 3.28Å; F40-V47 PolarHBondContact O-N 2.9Å; F40-V49 HydrophobicContact CD2-CG2 4.02Å; F40-V49 HydrophobicContact CE2-CG2 3.77Å; F40-L74 HydrophobicContact CB-CD2 4.29Å; F40-L74 HydrophobicContact CD2-CD2 4.28Å; F40-L74 HydrophobicContact CG-CD2 4.27Å; F40-L124 HydrophobicContact CD1-CD1 4.13Å
41	T	95	Very high	85.1	Confident	88 Å²	88	62.3 Å²	62.3	54%	0.54	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.3	170.8	-54.8	0	0	0	0	108.3	H45	T41-H45 CarbonylContact C-O 3.55Å; T41-H45 WeakPolarHBondContact CA-O 3.44Å
42	V	95.9	Very high	87.7	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	101.8	-176.9	-167.2	0	0	0	0	108.2	F40 R44 H45 V47 L74 D109 L124 L126	F40-V42 HydrophobicContact CB-CG2 4.47Å; V42-R44 PolarHBondContact O-N 3.41Å; V42-R44 VanDerWaalsContact O-N 3.08Å; V42-H45 PolarHBondContact N-O 3.19Å; V42-H45 PolarHBondContact O-N 3.42Å; V42-V47 HydrophobicContact CG2-CG2 4.28Å; V42-L74 HydrophobicContact CG2-CD1 3.88Å; V42-L74 HydrophobicContact CG2-CD2 4.5Å; V42-D109 HydrophobicContact CG1-CB 4.43Å; V42-D109 WeakPolarHBondContact O-CB 3.36Å; V42-L124 HydrophobicContact CG1-CB 3.99Å; V42-L124 HydrophobicContact CG2-CB 4.07Å; V42-L124 HydrophobicContact CG2-CD1 4.04Å; V42-L126 HydrophobicContact CB-CB 4.4Å; V42-L126 HydrophobicContact CG1-CB 3.98Å
43	G	92.8	Very high	90.2	Very high	41 Å²	41	62.8 Å²	62.8	42%	0.423	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	-113.1	-169.7	0	0	0	0	0	111.3	S110	G43-S110 PolarHBondContact N-O 2.67Å
44	R	93.3	Very high	92.2	Very high	203 Å²	203	61.8 Å²	61.8	77%	0.766	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.7	-179.4	-59.1	165.5	-64	161.4	4.5	113.9	V42 D109	V42-R44 PolarHBondContact O-N 3.41Å; V42-R44 VanDerWaalsContact O-N 3.08Å; R44-D109 IonicContact CZ-OD2 3.17Å; R44-D109 PolarHBondContact N-OD2 2.88Å; R44-D109 IonicContact NE-OD2 2.72Å; R44-D109 PolarHBondContact NE-OD2 3.04Å; R44-D109 IonicContact NH2-OD2 2.75Å
45	H	95.4	Very high	92.9	Very high	49 Å²	49	61.6 Å²	61.6	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.9	-169.8	-61.6	83.1	0	0	0	111.6	T41 V42 V47 D109 L126	T41-H45 CarbonylContact C-O 3.55Å; T41-H45 WeakPolarHBondContact CA-O 3.44Å; V42-H45 PolarHBondContact N-O 3.19Å; V42-H45 PolarHBondContact O-N 3.42Å; H45-V47 HydrophobicContact CB-CG1 4.15Å; H45-D109 IonicContact CE1-OD2 2.66Å; H45-D109 PolarHBondContact CE1-OD2 3.21Å; H45-D109 WeakPolarHBondContact ND1-CB 3.41Å; H45-D109 IonicContact ND1-OD2 3.68Å; H45-D109 PolarHBondContact ND1-OD2 3.25Å; H45-L126 HydrophobicContact CB-CD2 3.69Å
46	Q	96	Very high	92.7	Very high	110 Å²	110	63.1 Å²	63.1	51%	0.514	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.8	163.7	-174.1	173.8	83.3	0	0	109	F40 T66 N67	F40-Q46 WeakPolarHBondContact O-CA 3.49Å; Q46-T66 WeakPolarHBondContact O-CA 3.43Å; Q46-N67 PolarHBondContact O-N 2.66Å; Q46-N67 VanDerWaalsContact O-N 3.16Å
47	V	97.5	Very high	91.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.1	-172.3	-55.5	0	0	0	0	111.3	A39 F40 V42 H45 V64 K65 T66 L74 L126	A39-V47 CarbonylContact C-O 3.52Å; A39-V47 WeakPolarHBondContact CA-O 3.46Å; F40-V47 HydrophobicContact CB-CG2 4.08Å; F40-V47 PolarHBondContact N-O 3.28Å; F40-V47 PolarHBondContact O-N 2.9Å; V42-V47 HydrophobicContact CG2-CG2 4.28Å; H45-V47 HydrophobicContact CB-CG1 4.15Å; V47-V64 HydrophobicContact CB-CB 3.94Å; V47-V64 HydrophobicContact CB-CG2 3.73Å; V47-V64 HydrophobicContact CG1-CG2 4.15Å; V47-V64 HydrophobicContact CG2-CB 4.05Å; V47-V64 HydrophobicContact CG2-CG1 4.34Å; V47-V64 HydrophobicContact CG2-CG2 3.85Å; V47-K65 CarbonylContact C-O 3.56Å; V47-K65 WeakPolarHBondContact CA-O 3.5Å; V47-T66 HydrophobicContact CG1-CG2 4.09Å; V47-L74 HydrophobicContact CG2-CD2 4.15Å; V47-L126 HydrophobicContact CG1-CD1 4.1Å; V47-L126 HydrophobicContact CG1-CD2 4Å
48	T	96.9	Very high	91.3	Very high	60 Å²	60	61.5 Å²	61.5	37%	0.368	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.2	178.6	-57.3	0	0	0	0	110	R38 E50 V64 K65	R38-T48 WeakPolarHBondContact O-CA 3.29Å; T48-E50 PolarHBondContact O-N 2.93Å; T48-V64 CarbonylContact O-C 3.53Å; T48-V64 VanDerWaalsContact O-CA 3.27Å; T48-V64 WeakPolarHBondContact O-CA 3.33Å; T48-K65 PolarHBondContact N-O 2.99Å; T48-K65 PolarHBondContact O-N 3.5Å
49	V	97.3	Very high	91.1	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.2	178.2	176.6	0	0	0	0	111.1	F35 G37 R38 F40 F62 V64	F35-V49 VanDerWaalsContact O-CB 3.29Å; F35-V49 WeakPolarHBondContact O-CB 3.49Å; G37-V49 PolarHBondContact N-O 3.32Å; R38-V49 PolarHBondContact O-N 3.12Å; F40-V49 HydrophobicContact CD2-CG2 4.02Å; F40-V49 HydrophobicContact CE2-CG2 3.77Å; V49-F62 HydrophobicContact CG1-CB 4.19Å; V49-F62 HydrophobicContact CG1-CD1 3.65Å; V49-F62 HydrophobicContact CG1-CE1 4.44Å; V49-F62 HydrophobicContact CG1-CG 4.23Å; V49-F62 HydrophobicContact CG2-CB 4.22Å; V49-F62 HydrophobicContact CG2-CD1 4.07Å; V49-F62 HydrophobicContact CG2-CG 4.09Å; V49-V64 HydrophobicContact CG2-CG1 4.04Å
50	E	95.4	Very high	91.1	Very high	56 Å²	56	55.2 Å²	55.2	26%	0.262	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-45.9	168.2	-65.8	-165.1	143.7	0	0	111.2	I36 T48 L63 K65 R71	I36-E50 WeakPolarHBondContact CG2-O 3.27Å; T48-E50 PolarHBondContact O-N 2.93Å; E50-L63 HydrophobicContact CB-CD2 4.43Å; E50-L63 HydrophobicContact CB-CG 4.33Å; E50-L63 PolarHBondContact N-O 3.44Å; E50-K65 HydrophobicContact CG-CB 4.08Å; E50-K65 WeakPolarHBondContact OE1-CD 3.46Å; E50-K65 IonicContact OE1-NZ 3.6Å; E50-R71 IonicContact OE1-NH2 3.4Å; E50-R71 PolarHBondContact OE1-NH2 3.47Å; E50-R71 IonicContact OE2-CZ 2.68Å; E50-R71 IonicContact OE2-NE 2.7Å; E50-R71 PolarHBondContact OE2-NE 3.12Å; E50-R71 IonicContact OE2-NH2 2.68Å; E50-R71 PolarHBondContact OE2-NH2 3.32Å
51	E	94.5	Very high	91.1	Very high	86 Å²	86	55.9 Å²	55.9	40%	0.402	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	169.1	-178.3	57	178.7	-157.8	0	0	112.2	I53 F62 L63	E51-I53 HydrophobicContact CG-CG2 4Å; E51-I53 WeakPolarHBondContact OE1-CG2 3.37Å; E51-F62 CarbonylContact O-C 3.56Å; E51-F62 WeakPolarHBondContact O-CA 3.47Å; E51-L63 HydrophobicContact CG-CB 3.51Å; E51-L63 HydrophobicContact CG-CD2 3.82Å; E51-L63 HydrophobicContact CG-CG 4.2Å; E51-L63 PolarHBondContact N-O 2.87Å; E51-L63 PolarHBondContact O-N 2.92Å; E51-L63 WeakPolarHBondContact OE1-CD2 3.17Å
52	I	93.7	Very high	91.2	Very high	65 Å²	65	51.7 Å²	51.7	33%	0.333	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.6	167.9	-61.1	170.4	0	0	0	107.5	F35 I60 F62	F35-I52 HydrophobicContact CD2-CD1 4.32Å; I52-I60 HydrophobicContact CG1-CG2 4.43Å; I52-I60 HydrophobicContact CG2-CG2 3.86Å; I52-F62 HydrophobicContact CD1-CE1 4.27Å; I52-F62 HydrophobicContact CG1-CD1 3.74Å; I52-F62 HydrophobicContact CG1-CE1 3.71Å
53	I	92.2	Very high	91.2	Very high	68 Å²	68	52 Å²	52	35%	0.349	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-21.9	-178.9	61.4	173.3	0	0	0	113.4	E51 V61 L63 A73 Y129	E51-I53 HydrophobicContact CG-CG2 4Å; E51-I53 WeakPolarHBondContact OE1-CG2 3.37Å; I53-V61 HydrophobicContact CD1-CG1 3.9Å; I53-V61 HydrophobicContact CG1-CB 4.11Å; I53-V61 HydrophobicContact CG1-CG1 3.87Å; I53-V61 VanDerWaalsContact CG1-O 3.31Å; I53-V61 WeakPolarHBondContact CG1-O 3.36Å; I53-V61 PolarHBondContact N-O 2.91Å; I53-L63 HydrophobicContact CG2-CB 3.72Å; I53-A73 HydrophobicContact CD1-CB 4.19Å; I53-Y129 HydrophobicContact CD1-CD2 4.16Å; I53-Y129 HydrophobicContact CD1-CE2 4.13Å; I53-Y129 HydrophobicContact CG2-CE2 4.38Å
54	A	88.4	Confident	91.5	Very high	33 Å²	33	50 Å²	50	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144.7	167.5	0	0	0	0	0	110.6	V61	A54-V61 HydrophobicContact CB-CB 4.18Å; A54-V61 HydrophobicContact CB-CG2 4.31Å; A54-V61 PolarHBondContact N-O 3.04Å; A54-V61 VanDerWaalsContact N-O 3.16Å; A54-V61 PolarHBondContact O-N 3.44Å
55	E	86.1	Confident	91.7	Very high	95 Å²	95	44.3 Å²	44.3	44%	0.444	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.1	165.8	175.2	160.5	-132.6	0	0	108.6	R9 I60	R9-E55 WeakPolarHBondContact CD-OE1 3.42Å; R9-E55 IonicContact CZ-OE1 3.73Å; R9-E55 IonicContact CZ-OE2 2.99Å; R9-E55 IonicContact NE-OE1 3.41Å; R9-E55 IonicContact NH1-OE1 2.7Å; R9-E55 PolarHBondContact NH1-OE1 2.89Å; R9-E55 IonicContact NH1-OE2 2.77Å; R9-E55 PolarHBondContact NH1-OE2 2.9Å; R9-E55 IonicContact NH2-OE2 2.64Å; E55-I60 HydrophobicContact CB-CG1 4.45Å; E55-I60 HydrophobicContact CG-CG1 4.03Å
56	G	76.1	Confident	91.7	Very high	38 Å²	38	42.6 Å²	42.6	39%	0.392	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162	173.5	0	0	0	0	0	110.5	F58 A59	G56-F58 PolarHBondContact O-N 2.91Å; G56-A59 PolarHBondContact N-O 2.83Å; G56-A59 PolarHBondContact O-N 2.83Å; G56-A59 VanDerWaalsContact O-N 3.16Å
57	G	71.7	Confident	91.5	Very high	15 Å²	15	43 Å²	43	16%	0.155	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	16.2	-172.5	0	0	0	0	0	117.3	R2	R2-G57 WeakPolarHBondContact CA-O 3.17Å; R2-G57 VanDerWaalsContact CB-O 3.26Å; R2-G57 WeakPolarHBondContact CB-O 3.35Å; R2-G57 PolarHBondContact N-O 2.85Å
58	F	76.6	Confident	91.3	Very high	115 Å²	115	50.7 Å²	50.7	50%	0.504	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.9	-18.2	179	-53.6	-86.2	0	0	0	112.7	M1 G56	M1-F58 HydrophobicContact CB-CD1 3.55Å; M1-F58 HydrophobicContact CB-CE1 3.8Å; M1-F58 HydrophobicContact CE-CD1 4Å; M1-F58 HydrophobicContact CE-CE1 4.25Å; M1-F58 HydrophobicContact SD-CD1 4.32Å; G56-F58 PolarHBondContact O-N 2.91Å
59	A	89.9	Confident	91	Very high	16 Å²	16	49.6 Å²	49.6	13%	0.132	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	144.7	-171	0	0	0	0	0	111.1	G56 K75 R76 M77	G56-A59 PolarHBondContact N-O 2.83Å; G56-A59 PolarHBondContact O-N 2.83Å; G56-A59 VanDerWaalsContact O-N 3.16Å; A59-K75 HydrophobicContact CB-CG 4.23Å; A59-R76 VanDerWaalsContact CA-O 3.31Å; A59-R76 WeakPolarHBondContact CA-O 3.38Å; A59-M77 HydrophobicContact CB-CG 3.69Å; A59-M77 HydrophobicContact CB-SD 4.4Å
60	I	93.1	Very high	90.9	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.8	164.4	-63.6	158.3	0	0	0	107.5	F5 I52 E55 F62 R76	F5-I60 HydrophobicContact CE1-CD1 3.9Å; F5-I60 HydrophobicContact CE1-CG1 3.84Å; F5-I60 HydrophobicContact CZ-CB 4.47Å; F5-I60 HydrophobicContact CZ-CD1 3.88Å; F5-I60 HydrophobicContact CZ-CG1 3.8Å; I52-I60 HydrophobicContact CG1-CG2 4.43Å; I52-I60 HydrophobicContact CG2-CG2 3.86Å; E55-I60 HydrophobicContact CB-CG1 4.45Å; E55-I60 HydrophobicContact CG-CG1 4.03Å; I60-F62 HydrophobicContact CB-CE2 4.02Å; I60-F62 HydrophobicContact CB-CZ 4Å; I60-F62 HydrophobicContact CG2-CD1 4.17Å; I60-F62 HydrophobicContact CG2-CD2 4.17Å; I60-F62 HydrophobicContact CG2-CE1 3.67Å; I60-F62 HydrophobicContact CG2-CE2 3.66Å; I60-F62 HydrophobicContact CG2-CG 4.4Å; I60-F62 HydrophobicContact CG2-CZ 3.4Å; I60-R76 PolarHBondContact N-O 3.27Å; I60-R76 PolarHBondContact O-N 3.13Å
61	V	95.4	Very high	91	Very high	30 Å²	30	56.8 Å²	56.8	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.3	173.7	-166.3	0	0	0	0	108.9	I53 A54 A73 L74 K75 M127	I53-V61 HydrophobicContact CD1-CG1 3.9Å; I53-V61 HydrophobicContact CG1-CB 4.11Å; I53-V61 HydrophobicContact CG1-CG1 3.87Å; I53-V61 VanDerWaalsContact CG1-O 3.31Å; I53-V61 WeakPolarHBondContact CG1-O 3.36Å; I53-V61 PolarHBondContact N-O 2.91Å; A54-V61 HydrophobicContact CB-CB 4.18Å; A54-V61 HydrophobicContact CB-CG2 4.31Å; A54-V61 PolarHBondContact N-O 3.04Å; A54-V61 VanDerWaalsContact N-O 3.16Å; A54-V61 PolarHBondContact O-N 3.44Å; V61-A73 HydrophobicContact CG1-CB 4.22Å; V61-L74 WeakPolarHBondContact CA-O 3.49Å; V61-K75 HydrophobicContact CG2-CB 4.35Å; V61-K75 HydrophobicContact CG2-CG 4.42Å; V61-M127 HydrophobicContact CG1-CE 4.47Å
62	F	96.6	Very high	91.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	146	177.9	-56.2	-85.4	0	0	0	110.7	F35 V49 E51 I52 I60 V64 A73 L74 R76	F35-F62 HydrophobicContact CB-CD1 4.45Å; F35-F62 HydrophobicContact CB-CE1 3.63Å; F35-F62 HydrophobicContact CB-CZ 4.29Å; F35-F62 HydrophobicContact CD1-CZ 4.39Å; F35-F62 HydrophobicContact CD2-CE1 4.06Å; F35-F62 HydrophobicContact CD2-CZ 4.29Å; F35-F62 AromaticContact CG-CE1 3.83Å; F35-F62 HydrophobicContact CG-CE1 3.83Å; F35-F62 HydrophobicContact CG-CZ 4.06Å; V49-F62 HydrophobicContact CG1-CB 4.19Å; V49-F62 HydrophobicContact CG1-CD1 3.65Å; V49-F62 HydrophobicContact CG1-CE1 4.44Å; V49-F62 HydrophobicContact CG1-CG 4.23Å; V49-F62 HydrophobicContact CG2-CB 4.22Å; V49-F62 HydrophobicContact CG2-CD1 4.07Å; V49-F62 HydrophobicContact CG2-CG 4.09Å; E51-F62 CarbonylContact O-C 3.56Å; E51-F62 WeakPolarHBondContact O-CA 3.47Å; I52-F62 HydrophobicContact CD1-CE1 4.27Å; I52-F62 HydrophobicContact CG1-CD1 3.74Å; I52-F62 HydrophobicContact CG1-CE1 3.71Å; I60-F62 HydrophobicContact CB-CE2 4.02Å; I60-F62 HydrophobicContact CB-CZ 4Å; I60-F62 HydrophobicContact CG2-CD1 4.17Å; I60-F62 HydrophobicContact CG2-CD2 4.17Å; I60-F62 HydrophobicContact CG2-CE1 3.67Å; I60-F62 HydrophobicContact CG2-CE2 3.66Å; I60-F62 HydrophobicContact CG2-CG 4.4Å; I60-F62 HydrophobicContact CG2-CZ 3.4Å; F62-V64 HydrophobicContact CB-CG1 3.8Å; F62-A73 CarbonylContact O-C 3.58Å; F62-A73 WeakPolarHBondContact O-CA 3.31Å; F62-L74 HydrophobicContact CB-CB 4.41Å; F62-L74 PolarHBondContact N-O 3.2Å; F62-L74 PolarHBondContact O-N 2.7Å; F62-R76 HydrophobicContact CD2-CB 4.37Å; F62-R76 HydrophobicContact CE2-CB 3.85Å; F62-R76 HydrophobicContact CE2-CG 4.42Å
63	L	97.1	Very high	91.3	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.6	152.3	175.5	57.6	0	0	0	107.2	E50 E51 I53 R71 Y129	E50-L63 HydrophobicContact CB-CD2 4.43Å; E50-L63 HydrophobicContact CB-CG 4.33Å; E50-L63 PolarHBondContact N-O 3.44Å; E51-L63 HydrophobicContact CG-CB 3.51Å; E51-L63 HydrophobicContact CG-CD2 3.82Å; E51-L63 HydrophobicContact CG-CG 4.2Å; E51-L63 PolarHBondContact N-O 2.87Å; E51-L63 PolarHBondContact O-N 2.92Å; E51-L63 WeakPolarHBondContact OE1-CD2 3.17Å; I53-L63 HydrophobicContact CG2-CB 3.72Å; L63-R71 HydrophobicContact CD1-CB 3.9Å; L63-R71 HydrophobicContact CD1-CG 3.95Å; L63-Y129 HydrophobicContact CD1-CD1 3.97Å; L63-Y129 HydrophobicContact CD1-CD2 3.63Å; L63-Y129 HydrophobicContact CD1-CE1 4.15Å; L63-Y129 HydrophobicContact CD1-CE2 3.82Å; L63-Y129 HydrophobicContact CD1-CG 3.68Å; L63-Y129 HydrophobicContact CD2-CE2 4.42Å
64	V	97.7	Very high	91.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.5	176.1	-53.9	0	0	0	0	110.7	V47 T48 V49 F62 R71 C72 L74 L126	V47-V64 HydrophobicContact CB-CB 3.94Å; V47-V64 HydrophobicContact CB-CG2 3.73Å; V47-V64 HydrophobicContact CG1-CG2 4.15Å; V47-V64 HydrophobicContact CG2-CB 4.05Å; V47-V64 HydrophobicContact CG2-CG1 4.34Å; V47-V64 HydrophobicContact CG2-CG2 3.85Å; T48-V64 CarbonylContact O-C 3.53Å; T48-V64 VanDerWaalsContact O-CA 3.27Å; T48-V64 WeakPolarHBondContact O-CA 3.33Å; V49-V64 HydrophobicContact CG2-CG1 4.04Å; F62-V64 HydrophobicContact CB-CG1 3.8Å; V64-R71 WeakPolarHBondContact O-CA 3.34Å; V64-C72 HydrophobicContact CG2-CB 3.95Å; V64-C72 WeakPolarHBondContact CG2-O 3.44Å; V64-C72 PolarHBondContact N-O 2.97Å; V64-C72 PolarHBondContact O-N 2.9Å; V64-L74 HydrophobicContact CB-CB 4.44Å; V64-L74 HydrophobicContact CG1-CB 3.57Å; V64-L74 HydrophobicContact CG1-CD2 3.82Å; V64-L74 HydrophobicContact CG1-CG 4.34Å; V64-L74 HydrophobicContact CG2-CB 3.95Å; V64-L126 HydrophobicContact CG2-CD1 3.6Å
65	K	97.3	Very high	91.9	Very high	82 Å²	82	46 Å²	46	36%	0.357	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.7	177.8	-175.7	165	175.1	-176.9	0	110	V47 T48 E50 V70	V47-K65 CarbonylContact C-O 3.56Å; V47-K65 WeakPolarHBondContact CA-O 3.5Å; T48-K65 PolarHBondContact N-O 2.99Å; T48-K65 PolarHBondContact O-N 3.5Å; E50-K65 HydrophobicContact CG-CB 4.08Å; E50-K65 WeakPolarHBondContact OE1-CD 3.46Å; E50-K65 IonicContact OE1-NZ 3.6Å; K65-V70 CarbonylContact C-O 3.58Å; K65-V70 VanDerWaalsContact CA-O 3.31Å; K65-V70 WeakPolarHBondContact CA-O 3.35Å
66	T	95.9	Very high	92.4	Very high	13 Å²	13	41.8 Å²	41.8	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	163.1	175.8	68.2	0	0	0	0	110.9	Q46 V47 Q68 G69 V70	Q46-T66 WeakPolarHBondContact O-CA 3.43Å; V47-T66 HydrophobicContact CG1-CG2 4.09Å; T66-Q68 PolarHBondContact O-N 2.71Å; T66-Q68 VanDerWaalsContact O-N 3.16Å; T66-Q68 PolarHBondContact OG1-N 2.93Å; T66-G69 WeakPolarHBondContact O-CA 3.29Å; T66-G69 PolarHBondContact O-N 3.4Å; T66-G69 PolarHBondContact OG1-N 2.93Å; T66-V70 HydrophobicContact CG2-CB 4.31Å; T66-V70 PolarHBondContact N-O 2.88Å; T66-V70 PolarHBondContact OG1-N 3.16Å; T66-V70 VanDerWaalsContact OG1-N 3.14Å
67	N	92.1	Very high	93.2	Very high	119 Å²	119	40.6 Å²	40.6	64%	0.636	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.3	167	62.5	-13.7	0	0	0	114	Q46 G69	Q46-N67 PolarHBondContact O-N 2.66Å; Q46-N67 VanDerWaalsContact O-N 3.16Å; N67-G69 VanDerWaalsContact C-N 3.28Å
68	Q	92.5	Very high	94.1	Very high	162 Å²	162	40.2 Å²	40.2	76%	0.757	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.5	172.8	-60.6	176.3	5.4	0	0	113.4	T66 V70	T66-Q68 PolarHBondContact O-N 2.71Å; T66-Q68 VanDerWaalsContact O-N 3.16Å; T66-Q68 PolarHBondContact OG1-N 2.93Å; Q68-V70 HydrophobicContact CB-CG2 4.33Å
69	G	92.1	Very high	94.9	Very high	37 Å²	37	34.9 Å²	34.9	38%	0.381	18%	0.182	S	C	.	.	S	Bend	trans	84.6	1.4	-179	0	0	0	0	0	115.4	T66 N67	T66-G69 WeakPolarHBondContact O-CA 3.29Å; T66-G69 PolarHBondContact O-N 3.4Å; T66-G69 PolarHBondContact OG1-N 2.93Å; N67-G69 VanDerWaalsContact C-N 3.28Å
70	V	95.1	Very high	94.9	Very high	78 Å²	78	37 Å²	37	47%	0.473	19%	0.192	S	C	.	.			trans	-73.1	141.2	177.7	-176.9	0	0	0	0	110.1	K65 T66 Q68	K65-V70 CarbonylContact C-O 3.58Å; K65-V70 VanDerWaalsContact CA-O 3.31Å; K65-V70 WeakPolarHBondContact CA-O 3.35Å; T66-V70 HydrophobicContact CG2-CB 4.31Å; T66-V70 PolarHBondContact N-O 2.88Å; T66-V70 PolarHBondContact OG1-N 3.16Å; T66-V70 VanDerWaalsContact OG1-N 3.14Å; Q68-V70 HydrophobicContact CB-CG2 4.33Å
71	R	96.6	Very high	94.8	Very high	130 Å²	130	39.3 Å²	39.3	49%	0.491	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.1	177.1	-83.5	178.9	171.4	131.4	3.4	111.7	E50 L63 V64 Y129	E50-R71 IonicContact OE1-NH2 3.4Å; E50-R71 PolarHBondContact OE1-NH2 3.47Å; E50-R71 IonicContact OE2-CZ 2.68Å; E50-R71 IonicContact OE2-NE 2.7Å; E50-R71 PolarHBondContact OE2-NE 3.12Å; E50-R71 IonicContact OE2-NH2 2.68Å; E50-R71 PolarHBondContact OE2-NH2 3.32Å; L63-R71 HydrophobicContact CD1-CB 3.9Å; L63-R71 HydrophobicContact CD1-CG 3.95Å; V64-R71 WeakPolarHBondContact O-CA 3.34Å; R71-Y129 HydrophobicContact CB-CD1 4.15Å
72	C	97.2	Very high	94.6	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.02	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.2	-177.1	-56.3	0	0	0	0	109.9	V64 L108 L126 M127	V64-C72 HydrophobicContact CG2-CB 3.95Å; V64-C72 WeakPolarHBondContact CG2-O 3.44Å; V64-C72 PolarHBondContact N-O 2.97Å; V64-C72 PolarHBondContact O-N 2.9Å; C72-L108 HydrophobicContact CB-CD1 4.06Å; C72-L108 WeakPolarHBondContact SG-CD1 3.46Å; C72-L126 HydrophobicContact CB-CD1 3.62Å; C72-L126 HydrophobicContact CB-CG 4.17Å; C72-M127 CarbonylContact C-O 3.53Å; C72-M127 WeakPolarHBondContact CA-O 3.32Å; C72-M127 WeakPolarHBondContact CB-O 3.44Å
73	A	97.6	Very high	94.3	Very high	8 Å²	8	47.2 Å²	47.2	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.6	168.2	0	0	0	0	0	109.9	I53 V61 F62 M127	I53-A73 HydrophobicContact CD1-CB 4.19Å; V61-A73 HydrophobicContact CG1-CB 4.22Å; F62-A73 CarbonylContact O-C 3.58Å; F62-A73 WeakPolarHBondContact O-CA 3.31Å; A73-M127 HydrophobicContact CB-CB 4.4Å; A73-M127 HydrophobicContact CB-CE 4.06Å; A73-M127 PolarHBondContact N-O 3.24Å; A73-M127 PolarHBondContact O-N 2.85Å
74	L	97.6	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	105.3	176.7	176.8	59.6	0	0	0	110	F40 V42 V47 V61 F62 V64 L124 I125 L126	F40-L74 HydrophobicContact CB-CD2 4.29Å; F40-L74 HydrophobicContact CD2-CD2 4.28Å; F40-L74 HydrophobicContact CG-CD2 4.27Å; V42-L74 HydrophobicContact CG2-CD1 3.88Å; V42-L74 HydrophobicContact CG2-CD2 4.5Å; V47-L74 HydrophobicContact CG2-CD2 4.15Å; V61-L74 WeakPolarHBondContact CA-O 3.49Å; F62-L74 HydrophobicContact CB-CB 4.41Å; F62-L74 PolarHBondContact N-O 3.2Å; F62-L74 PolarHBondContact O-N 2.7Å; V64-L74 HydrophobicContact CB-CB 4.44Å; V64-L74 HydrophobicContact CG1-CB 3.57Å; V64-L74 HydrophobicContact CG1-CD2 3.82Å; V64-L74 HydrophobicContact CG1-CG 4.34Å; V64-L74 HydrophobicContact CG2-CB 3.95Å; L74-L124 HydrophobicContact CD1-CB 4.1Å; L74-L124 HydrophobicContact CD1-CD2 4.24Å; L74-L124 HydrophobicContact CD2-CD2 4.49Å; L74-I125 WeakPolarHBondContact CA-O 3.41Å; L74-L126 HydrophobicContact CB-CD1 4.31Å; L74-L126 HydrophobicContact CD1-CD1 4.41Å
75	K	96.4	Very high	93.9	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.065	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.1	170.2	-179.9	176.5	174.9	-172.3	0	108.5	A59 V61 M77 E91 I125 M127 D195	A59-K75 HydrophobicContact CB-CG 4.23Å; V61-K75 HydrophobicContact CG2-CB 4.35Å; V61-K75 HydrophobicContact CG2-CG 4.42Å; K75-M77 VanDerWaalsContact CE-SD 3.51Å; K75-M77 HydrophobicContact CG-CG 4.39Å; K75-E91 IonicContact NZ-OE1 3.1Å; K75-E91 PolarHBondContact NZ-OE1 3.14Å; K75-E91 IonicContact NZ-OE2 3.92Å; K75-E91 PolarHBondContact NZ-OE2 3.28Å; K75-I125 HydrophobicContact CB-CB 4.4Å; K75-I125 PolarHBondContact N-O 3.43Å; K75-I125 PolarHBondContact O-N 2.93Å; K75-M127 HydrophobicContact CB-CE 3.68Å; K75-D195 IonicContact NZ-OD1 2.66Å; K75-D195 PolarHBondContact NZ-OD1 3.48Å
76	R	95	Very high	93.7	Very high	6 Å²	6	48.4 Å²	48.4	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.5	-178.7	-179.9	173.7	-167.3	-141.1	4	110.4	A59 I60 F62 Y78 E122 V123 L124	A59-R76 VanDerWaalsContact CA-O 3.31Å; A59-R76 WeakPolarHBondContact CA-O 3.38Å; I60-R76 PolarHBondContact N-O 3.27Å; I60-R76 PolarHBondContact O-N 3.13Å; F62-R76 HydrophobicContact CD2-CB 4.37Å; F62-R76 HydrophobicContact CE2-CB 3.85Å; F62-R76 HydrophobicContact CE2-CG 4.42Å; R76-Y78 PolarHBondContact NH1-OH 3.01Å; R76-Y78 PolarHBondContact NH2-OH 3.38Å; R76-E122 IonicContact CZ-OE1 2.6Å; R76-E122 IonicContact NE-OE1 2.8Å; R76-E122 PolarHBondContact NE-OE1 3.41Å; R76-E122 IonicContact NH2-OE1 3.55Å; R76-E122 PolarHBondContact NH2-OE1 3.45Å; R76-V123 WeakPolarHBondContact CA-O 3.42Å; R76-L124 HydrophobicContact CB-CD2 3.84Å; R76-L124 HydrophobicContact CG-CD2 3.59Å
77	M	93.6	Very high	93.6	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.069	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.1	-177.5	-59.8	-175.4	-74.7	0	0	111.1	A59 K75 C88 E122 V123 I125	A59-M77 HydrophobicContact CB-CG 3.69Å; A59-M77 HydrophobicContact CB-SD 4.4Å; K75-M77 VanDerWaalsContact CE-SD 3.51Å; K75-M77 HydrophobicContact CG-CG 4.39Å; M77-C88 HydrophobicContact CE-CB 4.23Å; M77-C88 VanDerWaalsContact CE-SG 3.5Å; M77-E122 WeakPolarHBondContact O-CA 3.42Å; M77-V123 HydrophobicContact CB-CB 4.34Å; M77-V123 HydrophobicContact CE-CB 4.25Å; M77-V123 HydrophobicContact CE-CG1 3.94Å; M77-V123 PolarHBondContact N-O 3.45Å; M77-V123 PolarHBondContact O-N 3.3Å; M77-I125 HydrophobicContact CE-CD1 3.97Å
78	Y	91.4	Very high	93.8	Very high	6 Å²	6	44.2 Å²	44.2	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.1	165.5	-57	-64.6	0	0	0	109.7	F5 R8 V12 R76 L115 W121 E122	F5-Y78 AromaticContact CD2-CD2 3.64Å; F5-Y78 HydrophobicContact CD2-CD2 3.64Å; F5-Y78 HydrophobicContact CD2-CG 4.3Å; F5-Y78 AromaticContact CE2-CD2 3.64Å; F5-Y78 HydrophobicContact CE2-CD2 3.64Å; F5-Y78 HydrophobicContact CE2-CE2 4.26Å; F5-Y78 HydrophobicContact CE2-CG 4.38Å; R8-Y78 HydrophobicContact CB-CD2 3.65Å; R8-Y78 HydrophobicContact CB-CE2 3.82Å; R8-Y78 HydrophobicContact CB-CG 4.26Å; R8-Y78 HydrophobicContact CG-CD2 4.5Å; V12-Y78 WeakPolarHBondContact CG2-OH 3.46Å; R76-Y78 PolarHBondContact NH1-OH 3.01Å; R76-Y78 PolarHBondContact NH2-OH 3.38Å; Y78-L115 HydrophobicContact CD1-CD1 4.06Å; Y78-L115 HydrophobicContact CE1-CD1 3.69Å; Y78-W121 WeakPolarHBondContact CA-O 3.17Å; Y78-E122 HydrophobicContact CD1-CB 4.06Å; Y78-E122 HydrophobicContact CE1-CB 4.07Å; Y78-E122 HydrophobicContact CE1-CG 4.26Å
79	V	91.9	Very high	94	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	146.4	175.3	-75.5	0	0	0	0	109.9	M1 D84 L85 V120 W121 V123	M1-V79 HydrophobicContact SD-CG1 4.29Å; V79-D84 HydrophobicContact CB-CB 4.31Å; V79-D84 HydrophobicContact CG1-CB 3.81Å; V79-L85 HydrophobicContact CG2-CB 4.12Å; V79-L85 HydrophobicContact CG2-CD1 4.06Å; V79-V120 VanDerWaalsContact O-CA 3.3Å; V79-V120 WeakPolarHBondContact O-CA 3.44Å; V79-W121 HydrophobicContact CG2-CB 4.08Å; V79-W121 HydrophobicContact CG2-CE3 4.04Å; V79-W121 PolarHBondContact N-O 2.71Å; V79-W121 PolarHBondContact O-N 2.7Å; V79-V123 HydrophobicContact CG2-CG2 4.04Å
80	N	90.6	Very high	94.1	Very high	62 Å²	62	41.9 Å²	41.9	33%	0.332	20%	0.202	S	C	.	.			trans	-129.6	19.5	-171.5	75.1	-35.9	0	0	0	113.9	F4 D119 V120	F4-N80 HydrophobicContact CD1-CB 4.08Å; F4-N80 HydrophobicContact CD2-CB 4.37Å; F4-N80 HydrophobicContact CE1-CB 3.7Å; F4-N80 HydrophobicContact CE2-CB 4.01Å; F4-N80 HydrophobicContact CG-CB 4.41Å; F4-N80 HydrophobicContact CZ-CB 3.67Å; N80-D119 CarbonylContact C-O 3.6Å; N80-D119 VanDerWaalsContact CA-O 3.27Å; N80-D119 WeakPolarHBondContact CA-O 3.48Å; N80-V120 HydrophobicContact CB-CG2 3.91Å
81	N	90.6	Very high	94.2	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	18%	0.181	S	C	.	.	S	Bend	trans	-160.8	144.1	-177.8	65.2	87	0	0	0	108.9	H83 D84 L85	N81-H83 PolarHBondContact O-N 3.27Å; N81-H83 WeakPolarHBondContact OD1-CB 3.44Å; N81-H83 PolarHBondContact OD1-N 3.07Å; N81-D84 PolarHBondContact ND2-OD2 3.31Å; N81-D84 PolarHBondContact O-N 3.49Å; N81-D84 WeakPolarHBondContact OD1-CB 3.47Å; N81-D84 PolarHBondContact OD1-N 3.08Å; N81-D84 PolarHBondContact OD1-OD2 3.5Å; N81-L85 PolarHBondContact O-N 3.24Å
82	E	91.4	Very high	94.2	Very high	84 Å²	84	32.4 Å²	32.4	39%	0.393	16%	0.159	S	C	.	.	H	α-helix	trans	-62	-32.7	-173.7	-177.2	62	-137.3	0	0	112.1	D84 L85 Q86 K89 W121	E82-D84 PolarHBondContact O-N 3.5Å; E82-L85 WeakPolarHBondContact O-CB 3.11Å; E82-L85 PolarHBondContact O-N 2.78Å; E82-Q86 HydrophobicContact CG-CG 4.28Å; E82-Q86 VanDerWaalsContact O-CG 3.3Å; E82-Q86 WeakPolarHBondContact O-CG 3.38Å; E82-Q86 PolarHBondContact O-N 3.24Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.19Å; E82-Q86 PolarHBondContact OE1-NE2 2.86Å; E82-K89 IonicContact OE1-NZ 2.71Å; E82-K89 PolarHBondContact OE1-NZ 2.95Å; E82-W121 HydrophobicContact CB-CH2 4.24Å; E82-W121 VanDerWaalsContact OE2-CH2 3.26Å; E82-W121 WeakPolarHBondContact OE2-CH2 3.19Å
83	H	91.2	Very high	94.2	Very high	112 Å²	112	36.6 Å²	36.6	52%	0.519	18%	0.178	S	C	.	.	H	α-helix	trans	-56.7	-53.3	177.2	176.5	-73.9	0	0	0	111.7	N81 L85 Q86 V87 Y221	N81-H83 PolarHBondContact O-N 3.27Å; N81-H83 WeakPolarHBondContact OD1-CB 3.44Å; N81-H83 PolarHBondContact OD1-N 3.07Å; H83-L85 VanDerWaalsContact C-N 3.28Å; H83-L85 PolarHBondContact O-N 3.3Å; H83-Q86 WeakPolarHBondContact O-CB 3.32Å; H83-Q86 PolarHBondContact O-N 2.64Å; H83-Q86 VanDerWaalsContact O-N 3.08Å; H83-V87 PolarHBondContact O-N 2.88Å; H83-Y221 PolarHBondContact CE1-OH 3.01Å
84	D	91.3	Very high	94.1	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-71.8	-25.5	-178.6	-63	-19.5	0	0	0	111.6	M1 V79 N81 E82 V87 C88 K220	M1-D84 HydrophobicContact CE-CB 4.27Å; M1-D84 VanDerWaalsContact CE-OD2 3.28Å; M1-D84 WeakPolarHBondContact CE-OD2 3.35Å; M1-D84 HydrophobicContact SD-CB 4.03Å; V79-D84 HydrophobicContact CB-CB 4.31Å; V79-D84 HydrophobicContact CG1-CB 3.81Å; N81-D84 PolarHBondContact ND2-OD2 3.31Å; N81-D84 PolarHBondContact O-N 3.49Å; N81-D84 WeakPolarHBondContact OD1-CB 3.47Å; N81-D84 PolarHBondContact OD1-N 3.08Å; N81-D84 PolarHBondContact OD1-OD2 3.5Å; E82-D84 PolarHBondContact O-N 3.5Å; D84-V87 PolarHBondContact O-N 2.99Å; D84-C88 PolarHBondContact O-N 2.87Å; D84-C88 PolarHBondContact O-SG 3.48Å; D84-K220 IonicContact OD1-NZ 3.67Å; D84-K220 PolarHBondContact OD1-NZ 3.42Å; D84-K220 IonicContact OD2-NZ 2.71Å; D84-K220 PolarHBondContact OD2-NZ 3.1Å
85	L	93.7	Very high	94	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-41.2	166.4	178.7	66.5	0	0	0	112.2	V79 N81 E82 H83 V87 C88 K89 I112 W121 V123	V79-L85 HydrophobicContact CG2-CB 4.12Å; V79-L85 HydrophobicContact CG2-CD1 4.06Å; N81-L85 PolarHBondContact O-N 3.24Å; E82-L85 WeakPolarHBondContact O-CB 3.11Å; E82-L85 PolarHBondContact O-N 2.78Å; H83-L85 VanDerWaalsContact C-N 3.28Å; H83-L85 PolarHBondContact O-N 3.3Å; L85-V87 VanDerWaalsContact C-N 3.31Å; L85-C88 WeakPolarHBondContact O-CB 3.47Å; L85-C88 PolarHBondContact O-N 2.85Å; L85-K89 HydrophobicContact CD2-CD 4.49Å; L85-K89 VanDerWaalsContact CD2-NZ 3.29Å; L85-K89 HydrophobicContact CG-CD 4.05Å; L85-K89 HydrophobicContact CG-CG 4.4Å; L85-K89 WeakPolarHBondContact O-CG 3.13Å; L85-K89 PolarHBondContact O-N 3.34Å; L85-I112 HydrophobicContact CD1-CD1 4.27Å; L85-I112 HydrophobicContact CD1-CG2 3.76Å; L85-W121 HydrophobicContact CB-CE3 3.8Å; L85-W121 HydrophobicContact CB-CH2 4.42Å; L85-W121 HydrophobicContact CB-CZ3 3.74Å; L85-W121 HydrophobicContact CD1-CB 4.25Å; L85-W121 HydrophobicContact CD1-CD2 4.33Å; L85-W121 HydrophobicContact CD1-CE3 4.32Å; L85-W121 HydrophobicContact CD1-CG 4.32Å; L85-W121 HydrophobicContact CD2-CD2 3.63Å; L85-W121 HydrophobicContact CD2-CE3 3.72Å; L85-W121 HydrophobicContact CD2-CG 4.2Å; L85-W121 HydrophobicContact CD2-CH2 3.81Å; L85-W121 HydrophobicContact CD2-CZ2 3.76Å; L85-W121 HydrophobicContact CD2-CZ3 3.8Å; L85-W121 HydrophobicContact CG-CD2 4.36Å; L85-W121 HydrophobicContact CG-CE3 4.13Å; L85-W121 HydrophobicContact CG-CZ3 4.33Å; L85-V123 HydrophobicContact CD1-CG2 4.2Å
86	Q	94.8	Very high	94	Very high	100 Å²	100	39.9 Å²	39.9	47%	0.467	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-34.7	176.5	-66.9	-69.5	-11.6	0	0	111.6	E82 H83 K89 Q90	E82-Q86 HydrophobicContact CG-CG 4.28Å; E82-Q86 VanDerWaalsContact O-CG 3.3Å; E82-Q86 WeakPolarHBondContact O-CG 3.38Å; E82-Q86 PolarHBondContact O-N 3.24Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.19Å; E82-Q86 PolarHBondContact OE1-NE2 2.86Å; H83-Q86 WeakPolarHBondContact O-CB 3.32Å; H83-Q86 PolarHBondContact O-N 2.64Å; H83-Q86 VanDerWaalsContact O-N 3.08Å; Q86-K89 HydrophobicContact CG-CD 4.49Å; Q86-K89 PolarHBondContact O-N 3.49Å; Q86-Q90 VanDerWaalsContact O-CB 3.28Å; Q86-Q90 WeakPolarHBondContact O-CB 3.5Å; Q86-Q90 PolarHBondContact O-N 2.91Å
87	V	93.9	Very high	93.9	Very high	38 Å²	38	42.3 Å²	42.3	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-45.9	168.6	176.2	0	0	0	0	111.2	H83 D84 L85 K89 Q90 E91 G197 Y221	H83-V87 PolarHBondContact O-N 2.88Å; D84-V87 PolarHBondContact O-N 2.99Å; L85-V87 VanDerWaalsContact C-N 3.31Å; V87-K89 PolarHBondContact O-N 2.84Å; V87-Q90 PolarHBondContact O-N 3.33Å; V87-E91 PolarHBondContact O-N 2.85Å; V87-G197 VanDerWaalsContact CG1-O 3.26Å; V87-G197 WeakPolarHBondContact CG1-O 3.26Å; V87-Y221 HydrophobicContact CG1-CE1 4.2Å
88	C	95.3	Very high	93.9	Very high	7 Å²	7	41.7 Å²	41.7	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-38.4	175.3	-66.7	0	0	0	0	113.6	M77 D84 L85 Q90 E91 I92 V123	M77-C88 HydrophobicContact CE-CB 4.23Å; M77-C88 VanDerWaalsContact CE-SG 3.5Å; D84-C88 PolarHBondContact O-N 2.87Å; D84-C88 PolarHBondContact O-SG 3.48Å; L85-C88 WeakPolarHBondContact O-CB 3.47Å; L85-C88 PolarHBondContact O-N 2.85Å; C88-Q90 VanDerWaalsContact C-N 3.33Å; C88-E91 PolarHBondContact O-N 2.81Å; C88-I92 WeakPolarHBondContact O-CG1 3.34Å; C88-I92 PolarHBondContact O-N 2.94Å; C88-V123 HydrophobicContact CB-CG1 4.18Å; C88-V123 HydrophobicContact CB-CG2 4Å
89	K	96.2	Very high	93.9	Very high	71 Å²	71	45.2 Å²	45.2	31%	0.309	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-42.3	173.1	-72.5	161.3	174.6	164.3	0	110.6	E82 L85 Q86 V87 I92 Q93 I112	E82-K89 IonicContact OE1-NZ 2.71Å; E82-K89 PolarHBondContact OE1-NZ 2.95Å; L85-K89 HydrophobicContact CD2-CD 4.49Å; L85-K89 VanDerWaalsContact CD2-NZ 3.29Å; L85-K89 HydrophobicContact CG-CD 4.05Å; L85-K89 HydrophobicContact CG-CG 4.4Å; L85-K89 WeakPolarHBondContact O-CG 3.13Å; L85-K89 PolarHBondContact O-N 3.34Å; Q86-K89 HydrophobicContact CG-CD 4.49Å; Q86-K89 PolarHBondContact O-N 3.49Å; V87-K89 PolarHBondContact O-N 2.84Å; K89-I92 PolarHBondContact O-N 2.83Å; K89-Q93 PolarHBondContact O-N 2.91Å; K89-I112 HydrophobicContact CG-CD1 3.9Å
90	Q	95.5	Very high	93.8	Very high	78 Å²	78	48.9 Å²	48.9	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-67.1	-41.8	177.4	-174	61.5	36.4	0	0	112.1	Q86 V87 C88 Q93 I94	Q86-Q90 VanDerWaalsContact O-CB 3.28Å; Q86-Q90 WeakPolarHBondContact O-CB 3.5Å; Q86-Q90 PolarHBondContact O-N 2.91Å; V87-Q90 PolarHBondContact O-N 3.33Å; C88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-Q93 PolarHBondContact O-N 3.49Å; Q90-I94 HydrophobicContact CG-CD1 3.99Å; Q90-I94 HydrophobicContact CG-CG1 4.48Å; Q90-I94 WeakPolarHBondContact O-CB 3.48Å; Q90-I94 VanDerWaalsContact O-CG1 3.28Å; Q90-I94 WeakPolarHBondContact O-CG1 3.4Å; Q90-I94 PolarHBondContact O-N 2.84Å
91	E	96.1	Very high	94.1	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-55.6	-52.5	171.6	175.4	174.3	-163.6	0	0	110.6	K75 V87 C88 Q93 I94 M95 I125 F196 G197	K75-E91 IonicContact NZ-OE1 3.1Å; K75-E91 PolarHBondContact NZ-OE1 3.14Å; K75-E91 IonicContact NZ-OE2 3.92Å; K75-E91 PolarHBondContact NZ-OE2 3.28Å; V87-E91 PolarHBondContact O-N 2.85Å; C88-E91 PolarHBondContact O-N 2.81Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 3.1Å; E91-I94 PolarHBondContact O-N 3.44Å; E91-M95 HydrophobicContact CG-SD 4.49Å; E91-M95 WeakPolarHBondContact O-CG 3.35Å; E91-M95 PolarHBondContact O-N 3.01Å; E91-I125 HydrophobicContact CG-CD1 4.12Å; E91-F196 HydrophobicContact CG-CB 4.14Å; E91-G197 PolarHBondContact OE1-N 3.02Å
92	I	96.6	Very high	94.4	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-40.7	178.5	-72.6	165.2	0	0	0	111.4	C88 K89 K96 Y107 S110 I112 V123 I125	C88-I92 WeakPolarHBondContact O-CG1 3.34Å; C88-I92 PolarHBondContact O-N 2.94Å; K89-I92 PolarHBondContact O-N 2.83Å; I92-K96 HydrophobicContact CG2-CD 4.15Å; I92-K96 VanDerWaalsContact CG2-CE 3.5Å; I92-K96 VanDerWaalsContact O-CG 3.32Å; I92-K96 WeakPolarHBondContact O-CG 3.28Å; I92-K96 PolarHBondContact O-N 2.84Å; I92-Y107 HydrophobicContact CG2-CE2 4.3Å; I92-S110 WeakPolarHBondContact CG2-OG 3.27Å; I92-I112 HydrophobicContact CD1-CD1 4.14Å; I92-I112 HydrophobicContact CD1-CG1 4.27Å; I92-V123 HydrophobicContact CD1-CG1 3.86Å; I92-I125 HydrophobicContact CD1-CD1 4.29Å; I92-I125 HydrophobicContact CD1-CG1 4.14Å; I92-I125 HydrophobicContact CG1-CD1 3.67Å; I92-I125 HydrophobicContact CG1-CG1 3.84Å
93	Q	96.9	Very high	94.7	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.421	25%	0.245	S	C	.	.	H	α-helix	trans	-69.4	-43.8	178.6	-168	58.9	43.9	0	0	111.8	K89 Q90 E91 M95 K96 D97	K89-Q93 PolarHBondContact O-N 2.91Å; Q90-Q93 PolarHBondContact O-N 3.49Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 3.1Å; Q93-M95 VanDerWaalsContact C-N 3.29Å; Q93-M95 PolarHBondContact O-N 3.42Å; Q93-K96 PolarHBondContact O-N 2.83Å; Q93-D97 PolarHBondContact NE2-OD1 3.19Å; Q93-D97 VanDerWaalsContact O-CB 3.32Å; Q93-D97 WeakPolarHBondContact O-CB 3.35Å; Q93-D97 PolarHBondContact O-N 3.2Å
94	I	96.1	Very high	95	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-44.8	174.1	-73.9	172.7	0	0	0	110.4	Q90 E91 D97 L98 I173 F196 A199	Q90-I94 HydrophobicContact CG-CD1 3.99Å; Q90-I94 HydrophobicContact CG-CG1 4.48Å; Q90-I94 WeakPolarHBondContact O-CB 3.48Å; Q90-I94 VanDerWaalsContact O-CG1 3.28Å; Q90-I94 WeakPolarHBondContact O-CG1 3.4Å; Q90-I94 PolarHBondContact O-N 2.84Å; E91-I94 PolarHBondContact O-N 3.44Å; I94-D97 PolarHBondContact O-N 2.78Å; I94-L98 HydrophobicContact CG2-CD1 3.57Å; I94-L98 WeakPolarHBondContact O-CB 3.32Å; I94-L98 WeakPolarHBondContact O-CD1 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.17Å; I94-L98 PolarHBondContact O-N 3.34Å; I94-I173 HydrophobicContact CD1-CG2 4.11Å; I94-I173 HydrophobicContact CG1-CD1 4.12Å; I94-I173 HydrophobicContact CG2-CD1 4.14Å; I94-F196 HydrophobicContact CG2-CB 3.98Å; I94-F196 HydrophobicContact CG2-CD1 3.96Å; I94-F196 HydrophobicContact CG2-CG 3.98Å; I94-A199 HydrophobicContact CD1-CB 3.81Å
95	M	96.4	Very high	95.2	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-45.1	177.7	-71.4	-164.2	76	0	0	112.6	E91 Q93 D97 L98 V99 V105 Y107 I125 M127 F196	E91-M95 HydrophobicContact CG-SD 4.49Å; E91-M95 WeakPolarHBondContact O-CG 3.35Å; E91-M95 PolarHBondContact O-N 3.01Å; Q93-M95 VanDerWaalsContact C-N 3.29Å; Q93-M95 PolarHBondContact O-N 3.42Å; M95-D97 VanDerWaalsContact C-N 3.33Å; M95-D97 PolarHBondContact O-N 2.82Å; M95-L98 PolarHBondContact O-N 3.11Å; M95-V99 WeakPolarHBondContact O-CG2 3.3Å; M95-V99 PolarHBondContact O-N 2.95Å; M95-V105 HydrophobicContact CE-CG1 3.83Å; M95-Y107 HydrophobicContact CB-CD2 3.98Å; M95-Y107 HydrophobicContact CB-CG 4.33Å; M95-I125 HydrophobicContact SD-CG2 3.95Å; M95-M127 HydrophobicContact CE-CG 3.88Å; M95-M127 HydrophobicContact CE-SD 3.79Å; M95-M127 HydrophobicContact SD-SD 4.31Å; M95-F196 HydrophobicContact CE-CD2 4.44Å; M95-F196 HydrophobicContact CG-CB 4.46Å; M95-F196 HydrophobicContact CG-CD2 3.6Å; M95-F196 HydrophobicContact CG-CE2 4.3Å; M95-F196 HydrophobicContact CG-CG 4.35Å; M95-F196 HydrophobicContact SD-CD2 4.21Å
96	K	95.4	Very high	95.3	Very high	85 Å²	85	42 Å²	42	37%	0.37	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-43.3	174	-72.4	166.8	-178.2	171.9	0	112.2	I92 Q93 L98 V99 Y107	I92-K96 HydrophobicContact CG2-CD 4.15Å; I92-K96 VanDerWaalsContact CG2-CE 3.5Å; I92-K96 VanDerWaalsContact O-CG 3.32Å; I92-K96 WeakPolarHBondContact O-CG 3.28Å; I92-K96 PolarHBondContact O-N 2.84Å; Q93-K96 PolarHBondContact O-N 2.83Å; K96-L98 PolarHBondContact O-N 2.88Å; K96-V99 WeakPolarHBondContact O-CG2 3.48Å; K96-V99 PolarHBondContact O-N 2.97Å; K96-Y107 WeakPolarHBondContact CE-OH 3.31Å; K96-Y107 HydrophobicContact CG-CD1 4.03Å; K96-Y107 HydrophobicContact CG-CD2 4.49Å; K96-Y107 HydrophobicContact CG-CE1 3.73Å; K96-Y107 HydrophobicContact CG-CE2 4.18Å; K96-Y107 HydrophobicContact CG-CG 4.43Å
97	D	93.9	Very high	95.4	Very high	56 Å²	56	39 Å²	39	30%	0.299	21%	0.213	S	C	.	.	H	α-helix	trans	-70	-11.6	-178.9	-95.9	65.1	0	0	0	114.7	Q93 I94 M95 R165 R169	Q93-D97 PolarHBondContact NE2-OD1 3.19Å; Q93-D97 VanDerWaalsContact O-CB 3.32Å; Q93-D97 WeakPolarHBondContact O-CB 3.35Å; Q93-D97 PolarHBondContact O-N 3.2Å; I94-D97 PolarHBondContact O-N 2.78Å; M95-D97 VanDerWaalsContact C-N 3.33Å; M95-D97 PolarHBondContact O-N 2.82Å; D97-R165 PolarHBondContact O-NH2 2.96Å; D97-R169 PolarHBondContact O-NH1 2.79Å; D97-R169 IonicContact OD2-CZ 2.74Å; D97-R169 IonicContact OD2-NH1 2.72Å; D97-R169 PolarHBondContact OD2-NH1 2.81Å; D97-R169 IonicContact OD2-NH2 3.12Å; D97-R169 PolarHBondContact OD2-NH2 2.97Å
98	L	93.7	Very high	95.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-115.4	-0	-177.2	-64.3	172.3	0	0	0	113.8	I94 M95 K96 H101 I104 R165 L166 I173 F196	I94-L98 HydrophobicContact CG2-CD1 3.57Å; I94-L98 WeakPolarHBondContact O-CB 3.32Å; I94-L98 WeakPolarHBondContact O-CD1 3.3Å; I94-L98 WeakPolarHBondContact O-CG 3.17Å; I94-L98 PolarHBondContact O-N 3.34Å; M95-L98 PolarHBondContact O-N 3.11Å; K96-L98 PolarHBondContact O-N 2.88Å; L98-H101 PolarHBondContact O-N 2.91Å; L98-I104 HydrophobicContact CB-CD1 4.09Å; L98-I104 HydrophobicContact CB-CG2 4.28Å; L98-I104 HydrophobicContact CD1-CD1 4.26Å; L98-I104 HydrophobicContact CD2-CD1 4.26Å; L98-I104 HydrophobicContact CG-CD1 4.45Å; L98-R165 HydrophobicContact CD2-CG 3.93Å; L98-L166 HydrophobicContact CD1-CD1 3.8Å; L98-L166 HydrophobicContact CD1-CG 4.08Å; L98-L166 HydrophobicContact CD2-CD1 4.3Å; L98-I173 HydrophobicContact CD1-CD1 4.44Å; L98-F196 HydrophobicContact CD1-CD1 4.49Å; L98-F196 HydrophobicContact CD1-CE1 4.13Å; L98-F196 HydrophobicContact CD1-CZ 4.41Å
99	V	91.4	Very high	95.6	Very high	81 Å²	81	39.9 Å²	39.9	49%	0.491	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	141.3	177	171.4	0	0	0	0	112.3	M95 K96 Y107	M95-V99 WeakPolarHBondContact O-CG2 3.3Å; M95-V99 PolarHBondContact O-N 2.95Å; K96-V99 WeakPolarHBondContact O-CG2 3.48Å; K96-V99 PolarHBondContact O-N 2.97Å; V99-Y107 HydrophobicContact CG2-CD1 4.27Å
100	G	89.7	Confident	95.7	Very high	79 Å²	79	37.4 Å²	37.4	81%	0.814	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-7.1	174.7	0	0	0	0	0	115	K102	G100-K102 PolarHBondContact O-N 3.23Å
101	H	96.1	Very high	95.7	Very high	35 Å²	35	35.1 Å²	35.1	16%	0.162	20%	0.2	C	C	.	.			trans	-78.6	120.9	172.6	-170.1	-99	0	0	0	111.5	L98 N103 I104 D161 R165	L98-H101 PolarHBondContact O-N 2.91Å; H101-N103 PolarHBondContact ND1-N 2.9Å; H101-N103 PolarHBondContact O-N 3.32Å; H101-N103 VanDerWaalsContact O-N 3.08Å; H101-I104 HydrophobicContact CB-CB 4.28Å; H101-I104 HydrophobicContact CB-CD1 4.05Å; H101-I104 HydrophobicContact CB-CG1 4.34Å; H101-I104 PolarHBondContact O-N 3.21Å; H101-D161 IonicContact NE2-OD1 2.91Å; H101-R165 HydrophobicContact CB-CG 4.03Å
102	K	96	Very high	95.7	Very high	110 Å²	110	38.2 Å²	38.2	48%	0.478	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.4	-172.2	78.1	-160.1	177.5	-156.1	0	114.6	G100 D161 H190 V192	G100-K102 PolarHBondContact O-N 3.23Å; K102-D161 WeakPolarHBondContact CE-OD2 3.44Å; K102-D161 IonicContact NZ-OD2 3.96Å; K102-D161 PolarHBondContact NZ-OD2 3.3Å; K102-H190 PolarHBondContact O-CD2 3.38Å; K102-H190 VanDerWaalsContact O-CD2 3.24Å; K102-H190 PolarHBondContact O-NE2 3.03Å; K102-H190 VanDerWaalsContact O-NE2 3.1Å; K102-V192 WeakPolarHBondContact O-CG1 3.4Å
103	N	97.9	Very high	95.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	19.7	-178.7	-55.7	105.6	0	0	0	113.6	H101 D158 A162 Y191 V192 L193	H101-N103 PolarHBondContact ND1-N 2.9Å; H101-N103 PolarHBondContact O-N 3.32Å; H101-N103 VanDerWaalsContact O-N 3.08Å; N103-D158 WeakPolarHBondContact CB-O 3.26Å; N103-D158 VanDerWaalsContact CG-O 3.3Å; N103-D158 VanDerWaalsContact ND2-CB 3.28Å; N103-D158 WeakPolarHBondContact ND2-CB 3.3Å; N103-D158 VanDerWaalsContact ND2-CG 3.33Å; N103-D158 PolarHBondContact ND2-OD2 3.46Å; N103-A162 HydrophobicContact CB-CB 3.8Å; N103-A162 WeakPolarHBondContact O-CB 3.38Å; N103-Y191 WeakPolarHBondContact CB-O 3.3Å; N103-Y191 PolarHBondContact ND2-O 3Å; N103-V192 CarbonylContact O-C 3.43Å; N103-V192 VanDerWaalsContact O-CA 3.32Å; N103-V192 WeakPolarHBondContact O-CA 3.45Å; N103-L193 PolarHBondContact O-N 2.94Å
104	I	97.6	Very high	95.3	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.056	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-123.8	137.1	174.3	-69.9	173.7	0	0	0	107.8	L98 H101 G106 A162 R165 L166 F196	L98-I104 HydrophobicContact CB-CD1 4.09Å; L98-I104 HydrophobicContact CB-CG2 4.28Å; L98-I104 HydrophobicContact CD1-CD1 4.26Å; L98-I104 HydrophobicContact CD2-CD1 4.26Å; L98-I104 HydrophobicContact CG-CD1 4.45Å; H101-I104 HydrophobicContact CB-CB 4.28Å; H101-I104 HydrophobicContact CB-CD1 4.05Å; H101-I104 HydrophobicContact CB-CG1 4.34Å; H101-I104 PolarHBondContact O-N 3.21Å; I104-G106 PolarHBondContact O-N 3.22Å; I104-A162 HydrophobicContact CG1-CB 4.08Å; I104-R165 HydrophobicContact CD1-CB 4.2Å; I104-R165 HydrophobicContact CD1-CG 3.92Å; I104-L166 HydrophobicContact CD1-CD1 3.74Å; I104-F196 HydrophobicContact CG2-CE2 3.96Å; I104-F196 HydrophobicContact CG2-CZ 3.73Å
105	V	96.7	Very high	94.9	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.042	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-59.4	127.7	178.6	67.1	0	0	0	0	110.7	M95 M127 V192 L193 C194 F196	M95-V105 HydrophobicContact CE-CG1 3.83Å; V105-M127 HydrophobicContact CG2-CB 4.23Å; V105-V192 HydrophobicContact CB-CG2 4.27Å; V105-L193 PolarHBondContact N-O 3.19Å; V105-C194 HydrophobicContact CB-CB 4.18Å; V105-C194 HydrophobicContact CG1-CB 3.71Å; V105-F196 HydrophobicContact CG1-CE2 4.34Å
106	G	95.4	Very high	94	Very high	14 Å²	14	44.4 Å²	44.4	14%	0.144	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-66.7	134.9	-176.7	0	0	0	0	0	112.3	I104 M127 D128	I104-G106 PolarHBondContact O-N 3.22Å; G106-M127 CarbonylContact O-C 3.53Å; G106-M127 WeakPolarHBondContact O-CA 3.48Å; G106-M127 WeakPolarHBondContact O-CB 3.43Å; G106-D128 WeakPolarHBondContact CA-OD2 3.48Å; G106-D128 PolarHBondContact O-N 3.39Å
107	Y	97.3	Very high	92.2	Very high	36 Å²	36	46.3 Å²	46.3	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.8	170.3	167	-81.9	0	0	0	110	I92 M95 K96 V99 D109 S110 I125	I92-Y107 HydrophobicContact CG2-CE2 4.3Å; M95-Y107 HydrophobicContact CB-CD2 3.98Å; M95-Y107 HydrophobicContact CB-CG 4.33Å; K96-Y107 WeakPolarHBondContact CE-OH 3.31Å; K96-Y107 HydrophobicContact CG-CD1 4.03Å; K96-Y107 HydrophobicContact CG-CD2 4.49Å; K96-Y107 HydrophobicContact CG-CE1 3.73Å; K96-Y107 HydrophobicContact CG-CE2 4.18Å; K96-Y107 HydrophobicContact CG-CG 4.43Å; V99-Y107 HydrophobicContact CG2-CD1 4.27Å; Y107-D109 VanDerWaalsContact OH-C 3.25Å; Y107-D109 WeakPolarHBondContact OH-CA 3.37Å; Y107-S110 PolarHBondContact OH-N 2.73Å; Y107-S110 VanDerWaalsContact OH-N 3.12Å; Y107-S110 PolarHBondContact OH-OG 2.84Å; Y107-I125 HydrophobicContact CD2-CG2 4.27Å; Y107-I125 HydrophobicContact CE2-CG2 4.44Å
108	L	95.8	Very high	90.9	Very high	47 Å²	47	53.2 Å²	53.2	25%	0.246	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-49.4	-179.2	-60.7	174.5	0	0	0	111.9	C72 L126	C72-L108 HydrophobicContact CB-CD1 4.06Å; C72-L108 WeakPolarHBondContact SG-CD1 3.46Å; L108-L126 HydrophobicContact CB-CB 4.42Å; L108-L126 HydrophobicContact CB-CD2 4.23Å; L108-L126 HydrophobicContact CB-CG 4.16Å; L108-L126 WeakPolarHBondContact CB-O 3.4Å; L108-L126 HydrophobicContact CD1-CG 4.27Å; L108-L126 PolarHBondContact N-O 3.46Å
109	D	96.8	Very high	90.4	Very high	17 Å²	17	59 Å²	59	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	170.8	178.3	-132.1	-37	0	0	0	112.6	V42 R44 H45 Y107 L126	V42-D109 HydrophobicContact CG1-CB 4.43Å; V42-D109 WeakPolarHBondContact O-CB 3.36Å; R44-D109 IonicContact CZ-OD2 3.17Å; R44-D109 PolarHBondContact N-OD2 2.88Å; R44-D109 IonicContact NE-OD2 2.72Å; R44-D109 PolarHBondContact NE-OD2 3.04Å; R44-D109 IonicContact NH2-OD2 2.75Å; H45-D109 IonicContact CE1-OD2 2.66Å; H45-D109 PolarHBondContact CE1-OD2 3.21Å; H45-D109 WeakPolarHBondContact ND1-CB 3.41Å; H45-D109 IonicContact ND1-OD2 3.68Å; H45-D109 PolarHBondContact ND1-OD2 3.25Å; Y107-D109 VanDerWaalsContact OH-C 3.25Å; Y107-D109 WeakPolarHBondContact OH-CA 3.37Å; D109-L126 HydrophobicContact CB-CB 4.45Å; D109-L126 PolarHBondContact N-O 3.26Å; D109-L126 PolarHBondContact O-N 2.95Å
110	S	97.6	Very high	90.3	Very high	19 Å²	19	55.8 Å²	55.8	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.3	173.4	52	0	0	0	0	112.7	G43 I92 Y107 L124	G43-S110 PolarHBondContact N-O 2.67Å; I92-S110 WeakPolarHBondContact CG2-OG 3.27Å; Y107-S110 PolarHBondContact OH-N 2.73Å; Y107-S110 VanDerWaalsContact OH-N 3.12Å; Y107-S110 PolarHBondContact OH-OG 2.84Å; S110-L124 CarbonylContact C-O 3.56Å; S110-L124 WeakPolarHBondContact CA-O 3.48Å; S110-L124 WeakPolarHBondContact CB-O 3.4Å
111	S	96.9	Very high	90.5	Very high	30 Å²	30	54.2 Å²	54.2	21%	0.21	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.1	173.4	-174.5	0	0	0	0	110.4	L124	S111-L124 PolarHBondContact N-O 3.32Å; S111-L124 PolarHBondContact O-N 3.13Å
112	I	95.8	Very high	90.4	Very high	69 Å²	69	53.5 Å²	53.5	35%	0.354	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.4	174.6	-60.6	179.6	0	0	0	106.6	L85 K89 I92 W121 E122 V123	L85-I112 HydrophobicContact CD1-CD1 4.27Å; L85-I112 HydrophobicContact CD1-CG2 3.76Å; K89-I112 HydrophobicContact CG-CD1 3.9Å; I92-I112 HydrophobicContact CD1-CD1 4.14Å; I92-I112 HydrophobicContact CD1-CG1 4.27Å; I112-W121 HydrophobicContact CG2-CB 4.23Å; I112-E122 CarbonylContact C-O 3.41Å; I112-E122 WeakPolarHBondContact CA-O 3.46Å; I112-V123 HydrophobicContact CG1-CG1 4.36Å; I112-V123 HydrophobicContact CG1-CG2 4.33Å
113	T	93.9	Very high	90.4	Very high	56 Å²	56	48.2 Å²	48.2	34%	0.344	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.6	-172.4	-57	0	0	0	0	110.5	L115 W121 E122	T113-L115 HydrophobicContact CG2-CD2 4.24Å; T113-L115 PolarHBondContact O-N 2.95Å; T113-W121 CarbonylContact O-C 3.59Å; T113-W121 VanDerWaalsContact O-CA 3.3Å; T113-W121 WeakPolarHBondContact O-CA 3.47Å; T113-E122 PolarHBondContact N-O 2.89Å; T113-E122 PolarHBondContact O-N 2.88Å
114	A	91.4	Very high	90.3	Very high	67 Å²	67	48.4 Å²	48.4	55%	0.554	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.4	174.4	0	0	0	0	0	110.8
115	L	86.9	Confident	90.3	Very high	47 Å²	47	47.9 Å²	47.9	25%	0.246	28%	0.277	C	S	.	.			trans	-106.7	80.6	-174.8	-70.2	-166.7	0	0	0	112.7	Y78 T113 V120 E122	Y78-L115 HydrophobicContact CD1-CD1 4.06Å; Y78-L115 HydrophobicContact CE1-CD1 3.69Å; T113-L115 HydrophobicContact CG2-CD2 4.24Å; T113-L115 PolarHBondContact O-N 2.95Å; L115-V120 PolarHBondContact N-O 2.76Å; L115-E122 HydrophobicContact CD1-CB 3.68Å; L115-E122 HydrophobicContact CD2-CB 4.37Å; L115-E122 HydrophobicContact CG-CB 3.84Å
116	G	77.7	Confident	90.4	Very high	64 Å²	64	47.5 Å²	47.5	66%	0.66	28%	0.275	S	S	*	.	S	Bend	trans	91.5	-163.8	174.6	0	0	0	0	0	113.3	R118	G116-R118 PolarHBondContact O-N 3.19Å
117	S	58.4	Low	90.5	Very high	126 Å²	126	47.7 Å²	47.7	88%	0.881	27%	0.272	S	S	*	.	S	Bend	trans	-91.4	22.9	-165.2	47.7	0	0	0	0	115.7
118	R	66.3	Low	90.4	Very high	200 Å²	200	48.8 Å²	48.8	76%	0.755	28%	0.281	S	S	*	.	S	Bend	trans	-152.6	112.2	172.9	-62.8	-171.9	-175	-166	-0.6	111.3	G116 V120	G116-R118 PolarHBondContact O-N 3.19Å; R118-V120 WeakPolarHBondContact O-CB 3.33Å; R118-V120 VanDerWaalsContact O-CG2 3.32Å; R118-V120 WeakPolarHBondContact O-CG2 3.49Å; R118-V120 PolarHBondContact O-N 3.27Å
119	D	82.1	Confident	90.4	Very high	124 Å²	124	49.4 Å²	49.4	66%	0.663	28%	0.28	S	S	*	.	S	Bend	trans	32.1	37.8	150	-44.4	-32.1	0	0	0	118.7	N80	N80-D119 CarbonylContact C-O 3.6Å; N80-D119 VanDerWaalsContact CA-O 3.27Å; N80-D119 WeakPolarHBondContact CA-O 3.48Å
120	V	90.4	Very high	90.4	Very high	12 Å²	12	49 Å²	49	7%	0.073	28%	0.279	C	S	.	.			trans	-134.7	128.8	-176.7	172.6	0	0	0	0	109.2	F4 V79 N80 L115 R118	F4-V120 HydrophobicContact CE1-CG1 4.25Å; F4-V120 HydrophobicContact CE1-CG2 4.49Å; F4-V120 HydrophobicContact CE2-CG2 4.1Å; F4-V120 HydrophobicContact CZ-CB 4.34Å; F4-V120 HydrophobicContact CZ-CG1 3.78Å; F4-V120 HydrophobicContact CZ-CG2 3.53Å; V79-V120 VanDerWaalsContact O-CA 3.3Å; V79-V120 WeakPolarHBondContact O-CA 3.44Å; N80-V120 HydrophobicContact CB-CG2 3.91Å; L115-V120 PolarHBondContact N-O 2.76Å; R118-V120 WeakPolarHBondContact O-CB 3.33Å; R118-V120 VanDerWaalsContact O-CG2 3.32Å; R118-V120 WeakPolarHBondContact O-CG2 3.49Å; R118-V120 PolarHBondContact O-N 3.27Å
121	W	92.9	Very high	90.2	Very high	47 Å²	47	55.5 Å²	55.5	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.6	178.3	-49.8	-88.5	0	0	0	111.2	Y78 V79 E82 L85 I112 T113	Y78-W121 WeakPolarHBondContact CA-O 3.17Å; V79-W121 HydrophobicContact CG2-CB 4.08Å; V79-W121 HydrophobicContact CG2-CE3 4.04Å; V79-W121 PolarHBondContact N-O 2.71Å; V79-W121 PolarHBondContact O-N 2.7Å; E82-W121 HydrophobicContact CB-CH2 4.24Å; E82-W121 VanDerWaalsContact OE2-CH2 3.26Å; E82-W121 WeakPolarHBondContact OE2-CH2 3.19Å; L85-W121 HydrophobicContact CB-CE3 3.8Å; L85-W121 HydrophobicContact CB-CH2 4.42Å; L85-W121 HydrophobicContact CB-CZ3 3.74Å; L85-W121 HydrophobicContact CD1-CB 4.25Å; L85-W121 HydrophobicContact CD1-CD2 4.33Å; L85-W121 HydrophobicContact CD1-CE3 4.32Å; L85-W121 HydrophobicContact CD1-CG 4.32Å; L85-W121 HydrophobicContact CD2-CD2 3.63Å; L85-W121 HydrophobicContact CD2-CE3 3.72Å; L85-W121 HydrophobicContact CD2-CG 4.2Å; L85-W121 HydrophobicContact CD2-CH2 3.81Å; L85-W121 HydrophobicContact CD2-CZ2 3.76Å; L85-W121 HydrophobicContact CD2-CZ3 3.8Å; L85-W121 HydrophobicContact CG-CD2 4.36Å; L85-W121 HydrophobicContact CG-CE3 4.13Å; L85-W121 HydrophobicContact CG-CZ3 4.33Å; I112-W121 HydrophobicContact CG2-CB 4.23Å; T113-W121 CarbonylContact O-C 3.59Å; T113-W121 VanDerWaalsContact O-CA 3.3Å; T113-W121 WeakPolarHBondContact O-CA 3.47Å
122	E	94	Very high	90	Very high	19 Å²	19	55.4 Å²	55.4	9%	0.089	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.8	161.7	168.6	166.9	-118.7	0	0	108.9	R76 M77 Y78 I112 T113 L115 L124	R76-E122 IonicContact CZ-OE1 2.6Å; R76-E122 IonicContact NE-OE1 2.8Å; R76-E122 PolarHBondContact NE-OE1 3.41Å; R76-E122 IonicContact NH2-OE1 3.55Å; R76-E122 PolarHBondContact NH2-OE1 3.45Å; M77-E122 WeakPolarHBondContact O-CA 3.42Å; Y78-E122 HydrophobicContact CD1-CB 4.06Å; Y78-E122 HydrophobicContact CE1-CB 4.07Å; Y78-E122 HydrophobicContact CE1-CG 4.26Å; I112-E122 CarbonylContact C-O 3.41Å; I112-E122 WeakPolarHBondContact CA-O 3.46Å; T113-E122 PolarHBondContact N-O 2.89Å; T113-E122 PolarHBondContact O-N 2.88Å; L115-E122 HydrophobicContact CD1-CB 3.68Å; L115-E122 HydrophobicContact CD2-CB 4.37Å; L115-E122 HydrophobicContact CG-CB 3.84Å; E122-L124 HydrophobicContact CG-CD1 4.48Å; E122-L124 HydrophobicContact CG-CD2 4.21Å; E122-L124 HydrophobicContact CG-CG 4.04Å
123	V	96.1	Very high	89.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.9	174	-178.3	0	0	0	0	108.6	R76 M77 V79 L85 C88 I92 I112 I125	R76-V123 WeakPolarHBondContact CA-O 3.42Å; M77-V123 HydrophobicContact CB-CB 4.34Å; M77-V123 HydrophobicContact CE-CB 4.25Å; M77-V123 HydrophobicContact CE-CG1 3.94Å; M77-V123 PolarHBondContact N-O 3.45Å; M77-V123 PolarHBondContact O-N 3.3Å; V79-V123 HydrophobicContact CG2-CG2 4.04Å; L85-V123 HydrophobicContact CD1-CG2 4.2Å; C88-V123 HydrophobicContact CB-CG1 4.18Å; C88-V123 HydrophobicContact CB-CG2 4Å; I92-V123 HydrophobicContact CD1-CG1 3.86Å; I112-V123 HydrophobicContact CG1-CG1 4.36Å; I112-V123 HydrophobicContact CG1-CG2 4.33Å; V123-I125 HydrophobicContact CG1-CG1 4.17Å
124	L	97.3	Very high	90	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.4	179.5	-63.4	176.7	0	0	0	108.7	F40 V42 L74 R76 S110 S111 E122	F40-L124 HydrophobicContact CD1-CD1 4.13Å; V42-L124 HydrophobicContact CG1-CB 3.99Å; V42-L124 HydrophobicContact CG2-CB 4.07Å; V42-L124 HydrophobicContact CG2-CD1 4.04Å; L74-L124 HydrophobicContact CD1-CB 4.1Å; L74-L124 HydrophobicContact CD1-CD2 4.24Å; L74-L124 HydrophobicContact CD2-CD2 4.49Å; R76-L124 HydrophobicContact CB-CD2 3.84Å; R76-L124 HydrophobicContact CG-CD2 3.59Å; S110-L124 CarbonylContact C-O 3.56Å; S110-L124 WeakPolarHBondContact CA-O 3.48Å; S110-L124 WeakPolarHBondContact CB-O 3.4Å; S111-L124 PolarHBondContact N-O 3.32Å; S111-L124 PolarHBondContact O-N 3.13Å; E122-L124 HydrophobicContact CG-CD1 4.48Å; E122-L124 HydrophobicContact CG-CD2 4.21Å; E122-L124 HydrophobicContact CG-CG 4.04Å
125	I	97.6	Very high	90.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.2	176.5	-47.2	-179.9	0	0	0	108.4	L74 K75 M77 E91 I92 M95 Y107 V123 M127	L74-I125 WeakPolarHBondContact CA-O 3.41Å; K75-I125 HydrophobicContact CB-CB 4.4Å; K75-I125 PolarHBondContact N-O 3.43Å; K75-I125 PolarHBondContact O-N 2.93Å; M77-I125 HydrophobicContact CE-CD1 3.97Å; E91-I125 HydrophobicContact CG-CD1 4.12Å; I92-I125 HydrophobicContact CD1-CD1 4.29Å; I92-I125 HydrophobicContact CD1-CG1 4.14Å; I92-I125 HydrophobicContact CG1-CD1 3.67Å; I92-I125 HydrophobicContact CG1-CG1 3.84Å; M95-I125 HydrophobicContact SD-CG2 3.95Å; Y107-I125 HydrophobicContact CD2-CG2 4.27Å; Y107-I125 HydrophobicContact CE2-CG2 4.44Å; V123-I125 HydrophobicContact CG1-CG1 4.17Å; I125-M127 HydrophobicContact CG2-CG 4Å; I125-M127 HydrophobicContact CG2-SD 4.35Å
126	L	97.7	Very high	90.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.7	-179.6	-170.6	70.1	0	0	0	109.9	V42 H45 V47 V64 C72 L74 L108 D109	V42-L126 HydrophobicContact CB-CB 4.4Å; V42-L126 HydrophobicContact CG1-CB 3.98Å; H45-L126 HydrophobicContact CB-CD2 3.69Å; V47-L126 HydrophobicContact CG1-CD1 4.1Å; V47-L126 HydrophobicContact CG1-CD2 4Å; V64-L126 HydrophobicContact CG2-CD1 3.6Å; C72-L126 HydrophobicContact CB-CD1 3.62Å; C72-L126 HydrophobicContact CB-CG 4.17Å; L74-L126 HydrophobicContact CB-CD1 4.31Å; L74-L126 HydrophobicContact CD1-CD1 4.41Å; L108-L126 HydrophobicContact CB-CB 4.42Å; L108-L126 HydrophobicContact CB-CD2 4.23Å; L108-L126 HydrophobicContact CB-CG 4.16Å; L108-L126 WeakPolarHBondContact CB-O 3.4Å; L108-L126 HydrophobicContact CD1-CG 4.27Å; L108-L126 PolarHBondContact N-O 3.46Å; D109-L126 HydrophobicContact CB-CB 4.45Å; D109-L126 PolarHBondContact N-O 3.26Å; D109-L126 PolarHBondContact O-N 2.95Å
127	M	96.9	Very high	91.4	Very high	17 Å²	17	50.1 Å²	50.1	8%	0.084	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.6	-166.5	-52.3	173.3	-68.1	0	0	111.5	V61 C72 A73 K75 M95 V105 G106 I125	V61-M127 HydrophobicContact CG1-CE 4.47Å; C72-M127 CarbonylContact C-O 3.53Å; C72-M127 WeakPolarHBondContact CA-O 3.32Å; C72-M127 WeakPolarHBondContact CB-O 3.44Å; A73-M127 HydrophobicContact CB-CB 4.4Å; A73-M127 HydrophobicContact CB-CE 4.06Å; A73-M127 PolarHBondContact N-O 3.24Å; A73-M127 PolarHBondContact O-N 2.85Å; K75-M127 HydrophobicContact CB-CE 3.68Å; M95-M127 HydrophobicContact CE-CG 3.88Å; M95-M127 HydrophobicContact CE-SD 3.79Å; M95-M127 HydrophobicContact SD-SD 4.31Å; V105-M127 HydrophobicContact CG2-CB 4.23Å; G106-M127 CarbonylContact O-C 3.53Å; G106-M127 WeakPolarHBondContact O-CA 3.48Å; G106-M127 WeakPolarHBondContact O-CB 3.43Å; I125-M127 HydrophobicContact CG2-CG 4Å; I125-M127 HydrophobicContact CG2-SD 4.35Å
128	D	96	Very high	93.2	Very high	59 Å²	59	45.5 Å²	45.5	32%	0.316	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.2	172.2	-76.3	-28.5	0	0	0	112.3	G106 C130	G106-D128 WeakPolarHBondContact CA-OD2 3.48Å; G106-D128 PolarHBondContact O-N 3.39Å; D128-C130 PolarHBondContact O-N 3.33Å
129	Y	96.6	Very high	94.6	Very high	60 Å²	60	36.4 Å²	36.4	24%	0.235	19%	0.191	C	C	.	.			trans	-88	109.3	178.6	173.2	-112.7	0	0	0	112.2	I53 L63 R71 K131	I53-Y129 HydrophobicContact CD1-CD2 4.16Å; I53-Y129 HydrophobicContact CD1-CE2 4.13Å; I53-Y129 HydrophobicContact CG2-CE2 4.38Å; L63-Y129 HydrophobicContact CD1-CD1 3.97Å; L63-Y129 HydrophobicContact CD1-CD2 3.63Å; L63-Y129 HydrophobicContact CD1-CE1 4.15Å; L63-Y129 HydrophobicContact CD1-CE2 3.82Å; L63-Y129 HydrophobicContact CD1-CG 3.68Å; L63-Y129 HydrophobicContact CD2-CE2 4.42Å; R71-Y129 HydrophobicContact CB-CD1 4.15Å; Y129-K131 HydrophobicContact CD1-CB 4.37Å; Y129-K131 HydrophobicContact CE1-CB 3.93Å; Y129-K131 HydrophobicContact CE1-CG 4.26Å; Y129-K131 PolarHBondContact O-N 3.26Å; Y129-K131 VanDerWaalsContact O-N 3.12Å
130	C	96.2	Very high	95.2	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.061	18%	0.182	C	C	.	.			trans	-80.8	90.3	175.9	-66.5	0	0	0	0	111.3	D128 G132 G133 L184 V192	D128-C130 PolarHBondContact O-N 3.33Å; C130-G132 PolarHBondContact O-N 3.43Å; C130-G133 PolarHBondContact O-N 3.2Å; C130-L184 HydrophobicContact CB-CB 3.66Å; C130-L184 HydrophobicContact CB-CD1 3.91Å; C130-L184 HydrophobicContact CB-CG 4.42Å; C130-V192 WeakPolarHBondContact SG-CG2 3.31Å
131	K	93.6	Very high	95.4	Very high	156 Å²	156	41.2 Å²	41.2	68%	0.678	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-25.5	-177.9	-173.9	-176.5	173.4	-168.5	0	114.8	Y129 G133 D187	Y129-K131 HydrophobicContact CD1-CB 4.37Å; Y129-K131 HydrophobicContact CE1-CB 3.93Å; Y129-K131 HydrophobicContact CE1-CG 4.26Å; Y129-K131 PolarHBondContact O-N 3.26Å; Y129-K131 VanDerWaalsContact O-N 3.12Å; K131-G133 VanDerWaalsContact C-N 3.25Å; K131-G133 PolarHBondContact O-N 2.91Å; K131-D187 HydrophobicContact CB-CB 4.3Å
132	G	92.8	Very high	95.5	Very high	28 Å²	28	42.8 Å²	42.8	29%	0.289	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.5	177.4	0	0	0	0	0	114.8	C130 L185	C130-G132 PolarHBondContact O-N 3.43Å; G132-L185 VanDerWaalsContact CA-O 3.29Å; G132-L185 WeakPolarHBondContact CA-O 3.22Å; G132-L185 PolarHBondContact N-O 2.86Å
133	G	94.4	Very high	95.5	Very high	25 Å²	25	47 Å²	47	26%	0.258	24%	0.24	S	C	.	.			trans	71.5	-165	-177.8	0	0	0	0	0	113.3	C130 K131 L184 L185	C130-G133 PolarHBondContact O-N 3.2Å; K131-G133 VanDerWaalsContact C-N 3.25Å; K131-G133 PolarHBondContact O-N 2.91Å; G133-L184 CarbonylContact O-C 3.57Å; G133-L184 VanDerWaalsContact O-CA 3.26Å; G133-L184 WeakPolarHBondContact O-CA 3.37Å; G133-L185 PolarHBondContact O-N 3.49Å
134	Q	95.6	Very high	95.1	Very high	60 Å²	60	55.5 Å²	55.5	28%	0.28	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-75.9	152.7	176.9	-59.1	172.5	12.2	0	0	111.4	V136 N137 E181 I183 L184	Q134-V136 HydrophobicContact CB-CB 4.41Å; Q134-V136 PolarHBondContact O-N 3.42Å; Q134-N137 WeakPolarHBondContact O-CB 3.42Å; Q134-N137 PolarHBondContact O-N 3.32Å; Q134-E181 WeakPolarHBondContact CG-O 3.39Å; Q134-I183 CarbonylContact C-O 3.51Å; Q134-I183 WeakPolarHBondContact CA-O 3.49Å; Q134-L184 HydrophobicContact CB-CD2 4.24Å; Q134-L184 HydrophobicContact CG-CD2 3.62Å
135	V	96.5	Very high	95	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-28.9	172.3	170.7	0	0	0	0	111.8	N137 L138 M139 F147 I155 I183 Y191 L256	V135-N137 VanDerWaalsContact C-N 3.26Å; V135-N137 PolarHBondContact O-N 3.3Å; V135-L138 WeakPolarHBondContact O-CA 3.41Å; V135-L138 WeakPolarHBondContact O-CB 3.31Å; V135-L138 PolarHBondContact O-N 2.96Å; V135-M139 HydrophobicContact CG1-CG 4.37Å; V135-M139 HydrophobicContact CG1-SD 4.39Å; V135-M139 WeakPolarHBondContact O-CG 3.25Å; V135-M139 PolarHBondContact O-N 3.24Å; V135-F147 HydrophobicContact CG1-CE2 4.22Å; V135-F147 HydrophobicContact CG1-CZ 4.18Å; V135-I155 HydrophobicContact CG1-CD1 4.1Å; V135-I155 HydrophobicContact CG2-CG2 4.25Å; V135-I183 HydrophobicContact CB-CB 4.43Å; V135-I183 HydrophobicContact CG2-CB 3.88Å; V135-I183 HydrophobicContact CG2-CG2 3.67Å; V135-I183 PolarHBondContact N-O 3.25Å; V135-Y191 HydrophobicContact CG2-CD1 3.72Å; V135-Y191 HydrophobicContact CG2-CE1 3.85Å; V135-L256 HydrophobicContact CG1-CD2 3.75Å
136	V	95.4	Very high	94.8	Very high	29 Å²	29	59.4 Å²	59.4	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-56.6	-37.9	171.9	177.5	0	0	0	0	112.3	Q134 L138 M139 N140 V180 E181	Q134-V136 HydrophobicContact CB-CB 4.41Å; Q134-V136 PolarHBondContact O-N 3.42Å; V136-L138 VanDerWaalsContact C-N 3.27Å; V136-L138 PolarHBondContact O-N 3.49Å; V136-M139 WeakPolarHBondContact O-CB 3.43Å; V136-M139 PolarHBondContact O-N 3.13Å; V136-N140 WeakPolarHBondContact O-CB 3.18Å; V136-N140 VanDerWaalsContact O-CG 3.29Å; V136-N140 PolarHBondContact O-N 3.15Å; V136-N140 PolarHBondContact O-ND2 3.23Å; V136-V180 HydrophobicContact CG2-CB 4.34Å; V136-V180 HydrophobicContact CG2-CG2 3.69Å; V136-E181 HydrophobicContact CG2-CB 4.4Å; V136-E181 HydrophobicContact CG2-CG 3.95Å
137	N	93.8	Very high	94.8	Very high	78 Å²	78	59.7 Å²	59.7	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-33	177.4	-62	44.5	0	0	0	111.3	Q134 V135 Q141	Q134-N137 WeakPolarHBondContact O-CB 3.42Å; Q134-N137 PolarHBondContact O-N 3.32Å; V135-N137 VanDerWaalsContact C-N 3.26Å; V135-N137 PolarHBondContact O-N 3.3Å; N137-Q141 WeakPolarHBondContact O-CG 3.43Å; N137-Q141 PolarHBondContact O-N 3.48Å; N137-Q141 PolarHBondContact O-NE2 3.37Å; N137-Q141 VanDerWaalsContact O-NE2 3.13Å
138	L	95.2	Very high	94.9	Very high	28 Å²	28	62.7 Å²	62.7	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-73	-40.3	174.1	-54.5	175.1	0	0	0	111	V135 V136 N140 Q141 R142 F147 L185 Y191	V135-L138 WeakPolarHBondContact O-CA 3.41Å; V135-L138 WeakPolarHBondContact O-CB 3.31Å; V135-L138 PolarHBondContact O-N 2.96Å; V136-L138 VanDerWaalsContact C-N 3.27Å; V136-L138 PolarHBondContact O-N 3.49Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.27Å; L138-Q141 PolarHBondContact O-N 2.89Å; L138-R142 WeakPolarHBondContact O-CB 3.5Å; L138-R142 WeakPolarHBondContact O-CG 3.37Å; L138-R142 PolarHBondContact O-N 3.1Å; L138-F147 HydrophobicContact CB-CE1 4.05Å; L138-F147 HydrophobicContact CB-CZ 3.91Å; L138-L185 HydrophobicContact CD1-CB 4.49Å; L138-L185 HydrophobicContact CD1-CD2 4.01Å; L138-Y191 HydrophobicContact CD1-CE1 4.05Å
139	M	95.8	Very high	95	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-44.1	173	-65.5	171	72.1	0	0	111.5	V135 V136 Q141 R142 L143 F147 V180 K255 F259	V135-M139 HydrophobicContact CG1-CG 4.37Å; V135-M139 HydrophobicContact CG1-SD 4.39Å; V135-M139 WeakPolarHBondContact O-CG 3.25Å; V135-M139 PolarHBondContact O-N 3.24Å; V136-M139 WeakPolarHBondContact O-CB 3.43Å; V136-M139 PolarHBondContact O-N 3.13Å; M139-Q141 VanDerWaalsContact C-N 3.27Å; M139-Q141 PolarHBondContact O-N 3.16Å; M139-R142 CarbonylContact O-C 3.39Å; M139-R142 WeakPolarHBondContact O-CA 3.32Å; M139-R142 PolarHBondContact O-N 2.82Å; M139-L143 PolarHBondContact O-N 3.48Å; M139-L143 VanDerWaalsContact O-N 3.13Å; M139-F147 HydrophobicContact CG-CE2 3.51Å; M139-F147 HydrophobicContact CG-CZ 3.79Å; M139-V180 HydrophobicContact SD-CB 4.29Å; M139-V180 HydrophobicContact SD-CG1 4.47Å; M139-V180 HydrophobicContact SD-CG2 4.05Å; M139-K255 HydrophobicContact CE-CG 4.11Å; M139-K255 WeakPolarHBondContact CE-O 3.32Å; M139-F259 HydrophobicContact CB-CD2 4.32Å; M139-F259 HydrophobicContact CB-CE1 4.34Å; M139-F259 HydrophobicContact CB-CE2 3.9Å; M139-F259 HydrophobicContact CB-CZ 3.9Å; M139-F259 HydrophobicContact CE-CB 4.07Å; M139-F259 HydrophobicContact CE-CD1 3.52Å; M139-F259 HydrophobicContact CE-CD2 4.38Å; M139-F259 HydrophobicContact CE-CE1 4.02Å; M139-F259 HydrophobicContact CE-CG 3.73Å; M139-F259 HydrophobicContact CG-CD1 4.38Å; M139-F259 HydrophobicContact CG-CE1 3.93Å; M139-F259 HydrophobicContact CG-CE2 4.38Å; M139-F259 HydrophobicContact CG-CZ 3.92Å; M139-F259 VanDerWaalsContact O-CE2 3.27Å; M139-F259 WeakPolarHBondContact O-CE2 3.46Å
140	N	94.9	Very high	95	Very high	90 Å²	90	63.8 Å²	63.8	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-28.8	178.1	-71.6	-18.1	0	0	0	113.1	V136 L138 R142 L143	V136-N140 WeakPolarHBondContact O-CB 3.18Å; V136-N140 VanDerWaalsContact O-CG 3.29Å; V136-N140 PolarHBondContact O-N 3.15Å; V136-N140 PolarHBondContact O-ND2 3.23Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.27Å; N140-R142 VanDerWaalsContact C-N 3.3Å; N140-L143 WeakPolarHBondContact O-CG 3.43Å
141	Q	94.3	Very high	95.1	Very high	146 Å²	146	65.2 Å²	65.2	68%	0.682	35%	0.348	S	S	*	.	H	α-helix	trans	-75.9	-17.6	170.7	-68	165.6	43.3	0	0	113.1	N137 L138 M139	N137-Q141 WeakPolarHBondContact O-CG 3.43Å; N137-Q141 PolarHBondContact O-N 3.48Å; N137-Q141 PolarHBondContact O-NE2 3.37Å; N137-Q141 VanDerWaalsContact O-NE2 3.13Å; L138-Q141 PolarHBondContact O-N 2.89Å; M139-Q141 VanDerWaalsContact C-N 3.27Å; M139-Q141 PolarHBondContact O-N 3.16Å
142	R	94.2	Very high	95.3	Very high	81 Å²	81	57.8 Å²	57.8	31%	0.306	32%	0.315	S	S	.	.			trans	-113.4	10	-170.7	-66.1	-69.7	-172	83.3	4.5	114	L138 M139 N140 Q144 T145 G146 F147 E151 F259	L138-R142 WeakPolarHBondContact O-CB 3.5Å; L138-R142 WeakPolarHBondContact O-CG 3.37Å; L138-R142 PolarHBondContact O-N 3.1Å; M139-R142 CarbonylContact O-C 3.39Å; M139-R142 WeakPolarHBondContact O-CA 3.32Å; M139-R142 PolarHBondContact O-N 2.82Å; N140-R142 VanDerWaalsContact C-N 3.3Å; R142-Q144 PolarHBondContact O-N 3.06Å; R142-T145 WeakPolarHBondContact CD-OG1 3.42Å; R142-T145 PolarHBondContact O-N 2.98Å; R142-T145 PolarHBondContact O-OG1 3.14Å; R142-G146 PolarHBondContact O-N 3.21Å; R142-F147 HydrophobicContact CG-CD1 4.45Å; R142-F147 HydrophobicContact CG-CE1 4.27Å; R142-E151 IonicContact CZ-OE1 3.32Å; R142-E151 IonicContact NH1-OE1 3.76Å; R142-E151 PolarHBondContact NH1-OE1 3.29Å; R142-E151 IonicContact NH1-OE2 3.76Å; R142-E151 PolarHBondContact NH1-OE2 2.93Å; R142-E151 IonicContact NH2-OE1 3.34Å; R142-E151 PolarHBondContact NH2-OE1 3.49Å; R142-F259 HydrophobicContact CB-CE2 4.11Å; R142-F259 HydrophobicContact CB-CZ 4.01Å
143	L	94.3	Very high	95.6	Very high	107 Å²	107	56.8 Å²	56.8	56%	0.56	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-29.4	-172	-65.7	173.8	0	0	0	115.6	M139 N140 F259	M139-L143 PolarHBondContact O-N 3.48Å; M139-L143 VanDerWaalsContact O-N 3.13Å; N140-L143 WeakPolarHBondContact O-CG 3.43Å; L143-F259 HydrophobicContact CD2-CD2 4.15Å
144	Q	89.4	Confident	95.7	Very high	178 Å²	178	59 Å²	59	83%	0.832	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-28.2	176.9	-59.2	-64.3	-25.1	0	0	113.5	R142	R142-Q144 PolarHBondContact O-N 3.06Å
145	T	93.5	Very high	95.9	Very high	76 Å²	76	56.2 Å²	56.2	47%	0.466	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-24.6	-171.5	58.7	0	0	0	0	113.4	R142 R282	R142-T145 WeakPolarHBondContact CD-OG1 3.42Å; R142-T145 PolarHBondContact O-N 2.98Å; R142-T145 PolarHBondContact O-OG1 3.14Å; T145-R282 VanDerWaalsContact O-CZ 3.25Å; T145-R282 PolarHBondContact O-NH1 3.46Å; T145-R282 PolarHBondContact O-NH2 3.37Å
146	G	95	Very high	96	Very high	10 Å²	10	56.2 Å²	56.2	10%	0.103	29%	0.294	C	S	.	.			trans	64.2	-170.7	-160.3	0	0	0	0	0	112.5	R142	R142-G146 PolarHBondContact O-N 3.21Å
147	F	97.7	Very high	96.1	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.031	29%	0.285	C	S	.	.			trans	-85.6	160.5	162.4	-69.3	-56.9	0	0	0	110.8	V135 L138 M139 R142 E151 V152 I155 L256 F259 Y283	V135-F147 HydrophobicContact CG1-CE2 4.22Å; V135-F147 HydrophobicContact CG1-CZ 4.18Å; L138-F147 HydrophobicContact CB-CE1 4.05Å; L138-F147 HydrophobicContact CB-CZ 3.91Å; M139-F147 HydrophobicContact CG-CE2 3.51Å; M139-F147 HydrophobicContact CG-CZ 3.79Å; R142-F147 HydrophobicContact CG-CD1 4.45Å; R142-F147 HydrophobicContact CG-CE1 4.27Å; F147-E151 HydrophobicContact CB-CB 4.16Å; F147-E151 HydrophobicContact CD1-CB 4.23Å; F147-E151 HydrophobicContact CG-CB 4.45Å; F147-V152 HydrophobicContact CB-CG2 3.63Å; F147-V152 HydrophobicContact CD2-CG2 4.41Å; F147-V152 HydrophobicContact CG-CG2 4.44Å; F147-I155 HydrophobicContact CD2-CD1 4.3Å; F147-I155 HydrophobicContact CE1-CD1 4.48Å; F147-I155 HydrophobicContact CE2-CD1 4.01Å; F147-I155 HydrophobicContact CZ-CD1 4.12Å; F147-L256 HydrophobicContact CD2-CD2 4.49Å; F147-L256 HydrophobicContact CE2-CD2 4.1Å; F147-F259 AromaticContact CD2-CE1 3.65Å; F147-F259 HydrophobicContact CD2-CE1 3.65Å; F147-F259 HydrophobicContact CD2-CZ 4.05Å; F147-F259 AromaticContact CE2-CE1 3.89Å; F147-F259 HydrophobicContact CE2-CE1 3.89Å; F147-F259 HydrophobicContact CE2-CZ 4.12Å; F147-F259 HydrophobicContact CG-CE1 4.38Å; F147-F259 HydrophobicContact CG-CZ 4.48Å; F147-Y283 PolarHBondContact O-OH 3.03Å
148	T	97.5	Very high	96.4	Very high	80 Å²	80	51.4 Å²	51.4	49%	0.491	27%	0.267	S	S	.	.			trans	-78.8	157.9	161.8	60.8	0	0	0	0	110.4	S150 E151 V152	T148-S150 PolarHBondContact O-N 3.16Å; T148-E151 WeakPolarHBondContact CB-OE2 3.44Å; T148-E151 PolarHBondContact N-OE2 2.68Å; T148-E151 PolarHBondContact O-N 3.09Å; T148-E151 VanDerWaalsContact O-N 3.1Å; T148-E151 VanDerWaalsContact OG1-CG 3.27Å; T148-E151 WeakPolarHBondContact OG1-CG 3.18Å; T148-E151 PolarHBondContact OG1-N 2.95Å; T148-E151 PolarHBondContact OG1-OE2 2.68Å; T148-V152 WeakPolarHBondContact O-CG2 3.44Å; T148-V152 PolarHBondContact O-N 3.42Å
149	E	97.8	Very high	96.5	Very high	51 Å²	51	50.1 Å²	50.1	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-36.3	178.5	-173.2	159.1	151.7	0	0	112.9	V152 L153 Y283 S284 L287	E149-V152 PolarHBondContact O-N 3.28Å; E149-L153 HydrophobicContact CG-CD1 3.84Å; E149-L153 HydrophobicContact CG-CG 4.41Å; E149-L153 VanDerWaalsContact O-CB 3.32Å; E149-L153 WeakPolarHBondContact O-CB 3.2Å; E149-L153 VanDerWaalsContact O-CG 3.32Å; E149-L153 WeakPolarHBondContact O-CG 3.32Å; E149-L153 PolarHBondContact O-N 2.98Å; E149-Y283 HydrophobicContact CB-CD1 4.05Å; E149-Y283 HydrophobicContact CG-CD1 4.45Å; E149-Y283 VanDerWaalsContact OE2-CA 3.24Å; E149-Y283 WeakPolarHBondContact OE2-CA 3.37Å; E149-S284 WeakPolarHBondContact OE1-CB 3.31Å; E149-S284 PolarHBondContact OE1-OG 3.2Å; E149-S284 PolarHBondContact OE2-N 2.84Å; E149-L287 HydrophobicContact CG-CD2 4.23Å
150	S	97.5	Very high	96.7	Very high	91 Å²	91	49.7 Å²	49.7	64%	0.636	26%	0.258	S	S	*	.	H	α-helix	trans	-63.2	-42.3	175.2	-170	0	0	0	0	112.3	T148 L153 Q154	T148-S150 PolarHBondContact O-N 3.16Å; S150-L153 PolarHBondContact O-N 2.85Å; S150-Q154 WeakPolarHBondContact O-CB 3.32Å; S150-Q154 PolarHBondContact O-N 3.41Å
151	E	97.5	Very high	96.8	Very high	39 Å²	39	45.9 Å²	45.9	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-42.8	175.7	-70	167.1	123.3	0	0	111.9	R142 F147 T148 L153 Q154 I155	R142-E151 IonicContact CZ-OE1 3.32Å; R142-E151 IonicContact NH1-OE1 3.76Å; R142-E151 PolarHBondContact NH1-OE1 3.29Å; R142-E151 IonicContact NH1-OE2 3.76Å; R142-E151 PolarHBondContact NH1-OE2 2.93Å; R142-E151 IonicContact NH2-OE1 3.34Å; R142-E151 PolarHBondContact NH2-OE1 3.49Å; F147-E151 HydrophobicContact CB-CB 4.16Å; F147-E151 HydrophobicContact CD1-CB 4.23Å; F147-E151 HydrophobicContact CG-CB 4.45Å; T148-E151 WeakPolarHBondContact CB-OE2 3.44Å; T148-E151 PolarHBondContact N-OE2 2.68Å; T148-E151 PolarHBondContact O-N 3.09Å; T148-E151 VanDerWaalsContact O-N 3.1Å; T148-E151 VanDerWaalsContact OG1-CG 3.27Å; T148-E151 WeakPolarHBondContact OG1-CG 3.18Å; T148-E151 PolarHBondContact OG1-N 2.95Å; T148-E151 PolarHBondContact OG1-OE2 2.68Å; E151-L153 VanDerWaalsContact C-N 3.35Å; E151-L153 PolarHBondContact O-N 2.78Å; E151-Q154 PolarHBondContact O-N 3.01Å; E151-I155 WeakPolarHBondContact O-CD1 3.37Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 2.94Å
152	V	98.4	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-48.3	174.3	174	0	0	0	0	110.4	F147 T148 E149 Q154 I155 F156 L253 L256 Y283 L287	F147-V152 HydrophobicContact CB-CG2 3.63Å; F147-V152 HydrophobicContact CD2-CG2 4.41Å; F147-V152 HydrophobicContact CG-CG2 4.44Å; T148-V152 WeakPolarHBondContact O-CG2 3.44Å; T148-V152 PolarHBondContact O-N 3.42Å; E149-V152 PolarHBondContact O-N 3.28Å; V152-Q154 PolarHBondContact O-N 3.46Å; V152-I155 PolarHBondContact O-N 2.89Å; V152-F156 WeakPolarHBondContact O-CB 3.45Å; V152-F156 PolarHBondContact O-N 3.43Å; V152-L253 HydrophobicContact CG1-CD1 3.46Å; V152-L253 VanDerWaalsContact CG1-CD1 3.46Å; V152-L256 HydrophobicContact CG1-CB 3.99Å; V152-L256 HydrophobicContact CG1-CD1 4.38Å; V152-L256 HydrophobicContact CG2-CB 4.32Å; V152-Y283 HydrophobicContact CG2-CE1 4.01Å; V152-L287 HydrophobicContact CG1-CD2 4.39Å
153	L	98.4	Very high	97.2	Very high	6 Å²	6	35 Å²	35	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-33.2	178.7	-75.7	167.4	0	0	0	112.6	E149 S150 E151 C157 L287 L315 A316	E149-L153 HydrophobicContact CG-CD1 3.84Å; E149-L153 HydrophobicContact CG-CG 4.41Å; E149-L153 VanDerWaalsContact O-CB 3.32Å; E149-L153 WeakPolarHBondContact O-CB 3.2Å; E149-L153 VanDerWaalsContact O-CG 3.32Å; E149-L153 WeakPolarHBondContact O-CG 3.32Å; E149-L153 PolarHBondContact O-N 2.98Å; S150-L153 PolarHBondContact O-N 2.85Å; E151-L153 VanDerWaalsContact C-N 3.35Å; E151-L153 PolarHBondContact O-N 2.78Å; L153-C157 WeakPolarHBondContact O-CB 3.3Å; L153-C157 PolarHBondContact O-N 3.4Å; L153-C157 PolarHBondContact O-SG 3.43Å; L153-L287 HydrophobicContact CD2-CD1 3.71Å; L153-L287 HydrophobicContact CG-CD1 4.2Å; L153-L315 HydrophobicContact CD1-CB 3.96Å; L153-L315 HydrophobicContact CD2-CB 3.84Å; L153-A316 HydrophobicContact CB-CB 4.13Å
154	Q	98.1	Very high	97.4	Very high	72 Å²	72	30.3 Å²	30.3	34%	0.336	17%	0.167	S	C	.	.	H	α-helix	trans	-64	-51.9	173.7	-172.8	-175.6	-13.9	0	0	111	S150 E151 V152 F156 D158 G189 Y191	S150-Q154 WeakPolarHBondContact O-CB 3.32Å; S150-Q154 PolarHBondContact O-N 3.41Å; E151-Q154 PolarHBondContact O-N 3.01Å; V152-Q154 PolarHBondContact O-N 3.46Å; Q154-F156 VanDerWaalsContact C-N 3.3Å; Q154-F156 PolarHBondContact O-N 2.7Å; Q154-D158 WeakPolarHBondContact O-CB 3.41Å; Q154-D158 PolarHBondContact O-N 3.26Å; Q154-D158 VanDerWaalsContact O-N 3.14Å; Q154-G189 PolarHBondContact NE2-O 3.45Å; Q154-Y191 HydrophobicContact CB-CE2 4.44Å; Q154-Y191 HydrophobicContact CG-CD2 4.26Å; Q154-Y191 HydrophobicContact CG-CE2 3.95Å
155	I	98.5	Very high	97.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-46.4	176.4	-61.2	159.7	0	0	0	110	V135 F147 E151 V152 T159 I183 Y191 L256	V135-I155 HydrophobicContact CG1-CD1 4.1Å; V135-I155 HydrophobicContact CG2-CG2 4.25Å; F147-I155 HydrophobicContact CD2-CD1 4.3Å; F147-I155 HydrophobicContact CE1-CD1 4.48Å; F147-I155 HydrophobicContact CE2-CD1 4.01Å; F147-I155 HydrophobicContact CZ-CD1 4.12Å; E151-I155 WeakPolarHBondContact O-CD1 3.37Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 2.94Å; V152-I155 PolarHBondContact O-N 2.89Å; I155-T159 WeakPolarHBondContact O-CB 3.39Å; I155-T159 PolarHBondContact O-N 3.16Å; I155-T159 PolarHBondContact O-OG1 3.21Å; I155-I183 HydrophobicContact CG2-CG2 4.28Å; I155-Y191 HydrophobicContact CB-CD2 4.22Å; I155-Y191 HydrophobicContact CB-CE2 4.31Å; I155-Y191 HydrophobicContact CB-CG 4.43Å; I155-Y191 HydrophobicContact CD1-CE1 4.45Å; I155-Y191 HydrophobicContact CG1-CD1 4.07Å; I155-Y191 HydrophobicContact CG1-CD2 3.8Å; I155-Y191 HydrophobicContact CG1-CE1 3.74Å; I155-Y191 HydrophobicContact CG1-CE2 3.44Å; I155-Y191 VanDerWaalsContact CG1-CE2 3.44Å; I155-Y191 HydrophobicContact CG1-CG 4.1Å; I155-Y191 VanDerWaalsContact CG1-CZ 3.4Å; I155-Y191 HydrophobicContact CG2-CG 4.47Å; I155-L256 HydrophobicContact CB-CD1 3.98Å; I155-L256 HydrophobicContact CD1-CD2 4.05Å; I155-L256 HydrophobicContact CG2-CD1 3.67Å; I155-L256 HydrophobicContact CG2-CD2 4.12Å
156	F	98.8	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.7	-41	-174	-170.3	-109	0	0	0	113.2	V152 Q154 T159 C160 L249 L252 L253 L290 M294 V308 A312	V152-F156 WeakPolarHBondContact O-CB 3.45Å; V152-F156 PolarHBondContact O-N 3.43Å; Q154-F156 VanDerWaalsContact C-N 3.3Å; Q154-F156 PolarHBondContact O-N 2.7Å; F156-T159 PolarHBondContact O-N 3.47Å; F156-C160 WeakPolarHBondContact CE1-SG 3.46Å; F156-C160 VanDerWaalsContact CZ-SG 3.51Å; F156-C160 WeakPolarHBondContact O-CB 3.41Å; F156-C160 PolarHBondContact O-N 3.49Å; F156-C160 PolarHBondContact O-SG 2.88Å; F156-L249 HydrophobicContact CE2-CB 4.09Å; F156-L249 HydrophobicContact CE2-CD2 4.07Å; F156-L249 HydrophobicContact CZ-CB 4.4Å; F156-L252 HydrophobicContact CD2-CD2 4.32Å; F156-L253 HydrophobicContact CB-CD1 4.12Å; F156-L253 HydrophobicContact CD1-CD1 4.3Å; F156-L253 HydrophobicContact CD1-CD2 4.24Å; F156-L253 HydrophobicContact CD2-CB 3.93Å; F156-L253 HydrophobicContact CD2-CD1 4.03Å; F156-L253 HydrophobicContact CD2-CG 4.37Å; F156-L253 HydrophobicContact CE1-CD2 4.08Å; F156-L253 HydrophobicContact CE2-CB 3.84Å; F156-L253 HydrophobicContact CE2-CD2 4.35Å; F156-L253 HydrophobicContact CE2-CG 4.49Å; F156-L253 HydrophobicContact CG-CD1 3.87Å; F156-L253 HydrophobicContact CG-CD2 4.47Å; F156-L253 HydrophobicContact CZ-CB 4.42Å; F156-L253 HydrophobicContact CZ-CD2 4.16Å; F156-L290 HydrophobicContact CE1-CD2 4.2Å; F156-M294 HydrophobicContact CE1-CE 4.13Å; F156-M294 HydrophobicContact CE2-CE 4.05Å; F156-M294 HydrophobicContact CE2-SD 4.31Å; F156-M294 HydrophobicContact CZ-CE 3.43Å; F156-M294 VanDerWaalsContact CZ-CE 3.43Å; F156-M294 HydrophobicContact CZ-SD 3.63Å; F156-V308 HydrophobicContact CE1-CG1 3.86Å; F156-V308 HydrophobicContact CZ-CG1 3.74Å; F156-A312 HydrophobicContact CD1-CB 3.8Å; F156-A312 HydrophobicContact CE1-CB 3.82Å
157	C	98.6	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-44.8	175.8	-71	0	0	0	0	111.7	L153 T159 C160 D161 F313	L153-C157 WeakPolarHBondContact O-CB 3.3Å; L153-C157 PolarHBondContact O-N 3.4Å; L153-C157 PolarHBondContact O-SG 3.43Å; C157-T159 VanDerWaalsContact C-N 3.31Å; C157-T159 PolarHBondContact O-N 2.98Å; C157-C160 PolarHBondContact O-N 2.99Å; C157-D161 PolarHBondContact O-N 3.26Å; C157-F313 HydrophobicContact CB-CD1 4.39Å; C157-F313 HydrophobicContact CB-CD2 4.15Å; C157-F313 HydrophobicContact CB-CE1 3.99Å; C157-F313 HydrophobicContact CB-CE2 3.74Å; C157-F313 HydrophobicContact CB-CG 4.47Å; C157-F313 HydrophobicContact CB-CZ 3.65Å
158	D	98.5	Very high	97.9	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.032	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-39.5	176.7	-78.7	11.7	0	0	0	111.1	N103 Q154 D161 A162 H190 Y191 R318	N103-D158 WeakPolarHBondContact CB-O 3.26Å; N103-D158 VanDerWaalsContact CG-O 3.3Å; N103-D158 VanDerWaalsContact ND2-CB 3.28Å; N103-D158 WeakPolarHBondContact ND2-CB 3.3Å; N103-D158 VanDerWaalsContact ND2-CG 3.33Å; N103-D158 PolarHBondContact ND2-OD2 3.46Å; Q154-D158 WeakPolarHBondContact O-CB 3.41Å; Q154-D158 PolarHBondContact O-N 3.26Å; Q154-D158 VanDerWaalsContact O-N 3.14Å; D158-D161 PolarHBondContact O-N 2.8Å; D158-A162 PolarHBondContact O-N 2.86Å; D158-A162 VanDerWaalsContact O-N 3.15Å; D158-H190 WeakPolarHBondContact OD2-CA 3.26Å; D158-H190 WeakPolarHBondContact OD2-CB 3.46Å; D158-Y191 PolarHBondContact OD2-N 2.86Å; D158-R318 IonicContact OD1-NH1 3.27Å; D158-R318 IonicContact OD1-NH2 3.74Å
159	T	98.7	Very high	97.6	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-39.9	173.6	-53.6	0	0	0	0	111.9	I155 F156 C157 A162 V163 I183 L249 L252	I155-T159 WeakPolarHBondContact O-CB 3.39Å; I155-T159 PolarHBondContact O-N 3.16Å; I155-T159 PolarHBondContact O-OG1 3.21Å; F156-T159 PolarHBondContact O-N 3.47Å; C157-T159 VanDerWaalsContact C-N 3.31Å; C157-T159 PolarHBondContact O-N 2.98Å; T159-A162 WeakPolarHBondContact O-CB 3.42Å; T159-A162 PolarHBondContact O-N 2.98Å; T159-V163 HydrophobicContact CG2-CG2 4.44Å; T159-V163 WeakPolarHBondContact O-CG2 3.48Å; T159-V163 PolarHBondContact O-N 2.68Å; T159-I183 HydrophobicContact CG2-CD1 3.72Å; T159-L249 HydrophobicContact CG2-CD2 3.75Å; T159-L252 HydrophobicContact CG2-CD1 4.42Å
160	C	98.6	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-39.6	177	-72	0	0	0	0	112.3	F156 C157 A162 V163 S164 I305	F156-C160 WeakPolarHBondContact CE1-SG 3.46Å; F156-C160 VanDerWaalsContact CZ-SG 3.51Å; F156-C160 WeakPolarHBondContact O-CB 3.41Å; F156-C160 PolarHBondContact O-N 3.49Å; F156-C160 PolarHBondContact O-SG 2.88Å; C157-C160 PolarHBondContact O-N 2.99Å; C160-A162 VanDerWaalsContact C-N 3.35Å; C160-V163 PolarHBondContact O-N 2.82Å; C160-S164 WeakPolarHBondContact O-CB 3.36Å; C160-S164 PolarHBondContact O-N 2.79Å; C160-I305 HydrophobicContact CB-CD1 4.19Å
161	D	97.9	Very high	96.8	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-47	174.2	-143.5	-14.2	0	0	0	110	H101 K102 C157 D158 S164 R165 P321	H101-D161 IonicContact NE2-OD1 2.91Å; K102-D161 WeakPolarHBondContact CE-OD2 3.44Å; K102-D161 IonicContact NZ-OD2 3.96Å; K102-D161 PolarHBondContact NZ-OD2 3.3Å; C157-D161 PolarHBondContact O-N 3.26Å; D158-D161 PolarHBondContact O-N 2.8Å; D161-S164 PolarHBondContact O-N 3.46Å; D161-S164 PolarHBondContact O-OG 3.09Å; D161-R165 PolarHBondContact O-N 3.44Å; D161-P321 WeakPolarHBondContact OD2-CG 3.41Å
162	A	98.2	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-50.2	174.8	0	0	0	0	0	113.4	N103 I104 D158 T159 C160 S164 R165 L166 L193	N103-A162 HydrophobicContact CB-CB 3.8Å; N103-A162 WeakPolarHBondContact O-CB 3.38Å; I104-A162 HydrophobicContact CG1-CB 4.08Å; D158-A162 PolarHBondContact O-N 2.86Å; D158-A162 VanDerWaalsContact O-N 3.15Å; T159-A162 WeakPolarHBondContact O-CB 3.42Å; T159-A162 PolarHBondContact O-N 2.98Å; C160-A162 VanDerWaalsContact C-N 3.35Å; A162-S164 VanDerWaalsContact C-N 3.29Å; A162-S164 PolarHBondContact O-N 2.75Å; A162-R165 WeakPolarHBondContact O-CB 3.1Å; A162-R165 PolarHBondContact O-N 3.48Å; A162-L166 VanDerWaalsContact O-CD1 3.31Å; A162-L166 WeakPolarHBondContact O-CD1 3.33Å; A162-L166 PolarHBondContact O-N 3.32Å; A162-L193 HydrophobicContact CB-CB 3.94Å; A162-L193 HydrophobicContact CB-CD2 4.23Å
163	V	98.4	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-32.4	-179.8	175.2	0	0	0	0	111.2	T159 C160 R165 L166 H167 L178 L193 L249 I305	T159-V163 HydrophobicContact CG2-CG2 4.44Å; T159-V163 WeakPolarHBondContact O-CG2 3.48Å; T159-V163 PolarHBondContact O-N 2.68Å; C160-V163 PolarHBondContact O-N 2.82Å; V163-R165 VanDerWaalsContact C-N 3.29Å; V163-R165 PolarHBondContact O-N 3.26Å; V163-L166 WeakPolarHBondContact O-CB 3.26Å; V163-L166 PolarHBondContact O-N 3Å; V163-L166 VanDerWaalsContact O-N 3.13Å; V163-H167 WeakPolarHBondContact CG1-CE1 3.49Å; V163-H167 WeakPolarHBondContact CG1-NE2 3.27Å; V163-H167 PolarHBondContact O-N 3.24Å; V163-L178 HydrophobicContact CG1-CD1 4.35Å; V163-L178 HydrophobicContact CG2-CD1 3.64Å; V163-L178 HydrophobicContact CG2-CD2 3.93Å; V163-L178 HydrophobicContact CG2-CG 4.47Å; V163-L193 HydrophobicContact CG2-CD2 4.32Å; V163-L249 HydrophobicContact CB-CD1 4.4Å; V163-L249 HydrophobicContact CG1-CD1 4.17Å; V163-L249 HydrophobicContact CG2-CD1 4.4Å; V163-L249 HydrophobicContact CG2-CD2 4.35Å; V163-I305 HydrophobicContact CB-CD1 4Å; V163-I305 HydrophobicContact CB-CG1 4.32Å; V163-I305 HydrophobicContact CG1-CD1 3.85Å; V163-I305 HydrophobicContact CG1-CG1 4.08Å
164	S	97.6	Very high	96.6	Very high	8 Å²	8	30.9 Å²	30.9	6%	0.056	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-40.6	174.2	86	0	0	0	0	111.8	C160 D161 A162 L166 H167 Q168	C160-S164 WeakPolarHBondContact O-CB 3.36Å; C160-S164 PolarHBondContact O-N 2.79Å; D161-S164 PolarHBondContact O-N 3.46Å; D161-S164 PolarHBondContact O-OG 3.09Å; A162-S164 VanDerWaalsContact C-N 3.29Å; A162-S164 PolarHBondContact O-N 2.75Å; S164-L166 VanDerWaalsContact C-N 3.26Å; S164-L166 PolarHBondContact O-N 2.8Å; S164-H167 PolarHBondContact O-N 2.71Å; S164-Q168 VanDerWaalsContact O-CB 3.26Å; S164-Q168 WeakPolarHBondContact O-CB 3.29Å; S164-Q168 VanDerWaalsContact O-CG 3.3Å; S164-Q168 WeakPolarHBondContact O-CG 3.42Å; S164-Q168 PolarHBondContact O-N 2.73Å
165	R	96.9	Very high	96.7	Very high	100 Å²	100	27.4 Å²	27.4	38%	0.377	13%	0.131	S	C	.	.	H	α-helix	trans	-64.7	-26.3	177.1	177.2	60.4	-173.9	173.3	3.9	113.1	D97 L98 H101 I104 D161 A162 V163	D97-R165 PolarHBondContact O-NH2 2.96Å; L98-R165 HydrophobicContact CD2-CG 3.93Å; H101-R165 HydrophobicContact CB-CG 4.03Å; I104-R165 HydrophobicContact CD1-CB 4.2Å; I104-R165 HydrophobicContact CD1-CG 3.92Å; D161-R165 PolarHBondContact O-N 3.44Å; A162-R165 WeakPolarHBondContact O-CB 3.1Å; A162-R165 PolarHBondContact O-N 3.48Å; V163-R165 VanDerWaalsContact C-N 3.29Å; V163-R165 PolarHBondContact O-N 3.26Å
166	L	97.2	Very high	96.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-78	-48.5	170.6	-85.8	73.3	0	0	0	111.9	L98 I104 A162 V163 S164 I173 H175 F196	L98-L166 HydrophobicContact CD1-CD1 3.8Å; L98-L166 HydrophobicContact CD1-CG 4.08Å; L98-L166 HydrophobicContact CD2-CD1 4.3Å; I104-L166 HydrophobicContact CD1-CD1 3.74Å; A162-L166 VanDerWaalsContact O-CD1 3.31Å; A162-L166 WeakPolarHBondContact O-CD1 3.33Å; A162-L166 PolarHBondContact O-N 3.32Å; V163-L166 WeakPolarHBondContact O-CB 3.26Å; V163-L166 PolarHBondContact O-N 3Å; V163-L166 VanDerWaalsContact O-N 3.13Å; S164-L166 VanDerWaalsContact C-N 3.26Å; S164-L166 PolarHBondContact O-N 2.8Å; L166-I173 HydrophobicContact CB-CB 4.16Å; L166-I173 HydrophobicContact CD2-CB 4.36Å; L166-I173 HydrophobicContact CD2-CG2 3.99Å; L166-I173 HydrophobicContact CG-CB 4.2Å; L166-I173 HydrophobicContact CG-CG2 4.31Å; L166-I173 PolarHBondContact O-N 2.9Å; L166-H175 HydrophobicContact CD2-CB 4.06Å; L166-F196 HydrophobicContact CD1-CE1 4.16Å; L166-F196 HydrophobicContact CD2-CD1 4.39Å; L166-F196 HydrophobicContact CD2-CE1 4.08Å
167	H	97.4	Very high	96.5	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-74.7	-26	-172	-71.3	-169.2	0	0	0	114.1	V163 S164 I173 T242 D245 I305	V163-H167 WeakPolarHBondContact CG1-CE1 3.49Å; V163-H167 WeakPolarHBondContact CG1-NE2 3.27Å; V163-H167 PolarHBondContact O-N 3.24Å; S164-H167 PolarHBondContact O-N 2.71Å; H167-I173 PolarHBondContact CD2-O 3.13Å; H167-I173 VanDerWaalsContact CD2-O 3.31Å; H167-T242 HydrophobicContact CB-CG2 4.35Å; H167-T242 PolarHBondContact CE1-O 3.3Å; H167-D245 IonicContact CD2-OD2 2.79Å; H167-D245 IonicContact CE1-OD2 2.96Å; H167-D245 WeakPolarHBondContact NE2-CB 3.42Å; H167-D245 IonicContact NE2-OD2 3.73Å; H167-D245 PolarHBondContact NE2-OD2 2.73Å; H167-I305 HydrophobicContact CB-CG2 3.96Å
168	Q	94.9	Very high	96.5	Very high	58 Å²	58	28.8 Å²	28.8	27%	0.271	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	8	-175	-61.2	-171.2	-5.9	0	0	113.9	S164 V322 Q323 V325	S164-Q168 VanDerWaalsContact O-CB 3.26Å; S164-Q168 WeakPolarHBondContact O-CB 3.29Å; S164-Q168 VanDerWaalsContact O-CG 3.3Å; S164-Q168 WeakPolarHBondContact O-CG 3.42Å; S164-Q168 PolarHBondContact O-N 2.73Å; Q168-V322 VanDerWaalsContact NE2-CG1 3.34Å; Q168-Q323 PolarHBondContact NE2-O 3.36Å; Q168-V325 HydrophobicContact CB-CG2 4.18Å; Q168-V325 HydrophobicContact CG-CB 4.46Å; Q168-V325 HydrophobicContact CG-CG2 4.02Å
169	R	91.4	Very high	96.4	Very high	64 Å²	64	30.3 Å²	30.3	24%	0.242	14%	0.143	C	C	.	.	S	Bend	trans	-70.1	153.1	170	-85	175.8	52.9	96.6	-1.6	111.8	D97 A171 P172	D97-R169 PolarHBondContact O-NH1 2.79Å; D97-R169 IonicContact OD2-CZ 2.74Å; D97-R169 IonicContact OD2-NH1 2.72Å; D97-R169 PolarHBondContact OD2-NH1 2.81Å; D97-R169 IonicContact OD2-NH2 3.12Å; D97-R169 PolarHBondContact OD2-NH2 2.97Å; R169-A171 VanDerWaalsContact CB-O 3.26Å; R169-A171 WeakPolarHBondContact CB-O 3.26Å; R169-A171 CarbonylContact O-C 3.52Å; R169-A171 PolarHBondContact O-N 2.96Å; R169-P172 WeakPolarHBondContact O-CD 3.3Å
170	K	88.1	Confident	96.3	Very high	224 Å²	224	30.2 Å²	30.2	97%	0.974	14%	0.143	S	C	*	.	S	Bend	trans	-52.3	-37.4	175	-177.2	-179.6	177.7	-177	0	113
171	A	91.7	Very high	96.2	Very high	49 Å²	49	32.7 Å²	32.7	41%	0.405	15%	0.154	S	C	.	.	S	Bend	trans	-108.2	105.4	159.7	0	0	0	0	0	107	R169	R169-A171 VanDerWaalsContact CB-O 3.26Å; R169-A171 WeakPolarHBondContact CB-O 3.26Å; R169-A171 CarbonylContact O-C 3.52Å; R169-A171 PolarHBondContact O-N 2.96Å
172	P	95.7	Very high	96.1	Very high	39 Å²	39	32.7 Å²	32.7	25%	0.253	16%	0.155	S	C	.	.			trans	-61.7	141.3	179.5	-24.7	35.2	0	0	0	111.5	R169 S201 F203 T242	R169-P172 WeakPolarHBondContact O-CD 3.3Å; P172-S201 WeakPolarHBondContact O-CA 3.43Å; P172-F203 HydrophobicContact CB-CE1 4.33Å; P172-F203 HydrophobicContact CB-CZ 4.01Å; P172-F203 HydrophobicContact CG-CZ 4.26Å; P172-T242 HydrophobicContact CB-CG2 3.89Å
173	I	97.1	Very high	96.1	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.155	C	C	.	.			trans	-107.2	129.5	176.3	-58.1	170.8	0	0	0	108	I94 L98 L166 H167 A199 T200	I94-I173 HydrophobicContact CD1-CG2 4.11Å; I94-I173 HydrophobicContact CG1-CD1 4.12Å; I94-I173 HydrophobicContact CG2-CD1 4.14Å; L98-I173 HydrophobicContact CD1-CD1 4.44Å; L166-I173 HydrophobicContact CB-CB 4.16Å; L166-I173 HydrophobicContact CD2-CB 4.36Å; L166-I173 HydrophobicContact CD2-CG2 3.99Å; L166-I173 HydrophobicContact CG-CB 4.2Å; L166-I173 HydrophobicContact CG-CG2 4.31Å; L166-I173 PolarHBondContact O-N 2.9Å; H167-I173 PolarHBondContact CD2-O 3.13Å; H167-I173 VanDerWaalsContact CD2-O 3.31Å; I173-A199 HydrophobicContact CG2-CB 4Å; I173-T200 WeakPolarHBondContact CA-O 3.27Å
174	V	97.6	Very high	96.1	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-94.8	127.2	168	-164.7	0	0	0	0	107.6	R176 A199 T200 F203 T242 D245	V174-R176 HydrophobicContact CB-CG 4.06Å; V174-R176 HydrophobicContact CG1-CG 3.68Å; V174-A199 CarbonylContact O-C 3.57Å; V174-A199 VanDerWaalsContact O-CA 3.26Å; V174-A199 WeakPolarHBondContact O-CA 3.41Å; V174-T200 HydrophobicContact CB-CG2 4.36Å; V174-T200 PolarHBondContact N-O 2.59Å; V174-T200 PolarHBondContact O-N 2.86Å; V174-F203 HydrophobicContact CG2-CD1 3.9Å; V174-F203 HydrophobicContact CG2-CE1 3.75Å; V174-T242 HydrophobicContact CG2-CG2 4.09Å; V174-D245 WeakPolarHBondContact CA-OD2 3.49Å; V174-D245 WeakPolarHBondContact CG1-OD2 3.36Å
175	H	98.1	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.			trans	-76	-35.1	-179.6	-163.5	-81.1	0	0	0	112	L166 D177 L178 D195 F196 D245	L166-H175 HydrophobicContact CD2-CB 4.06Å; H175-D177 PolarHBondContact ND1-O 2.94Å; H175-D177 PolarHBondContact O-N 3.39Å; H175-L178 HydrophobicContact CB-CD2 3.78Å; H175-L178 HydrophobicContact CB-CG 3.86Å; H175-D195 PolarHBondContact CE1-O 2.89Å; H175-D195 VanDerWaalsContact CE1-O 3.28Å; H175-F196 AromaticContact CD2-CD1 3.67Å; H175-F196 AromaticContact CD2-CE1 3.67Å; H175-F196 AromaticContact NE2-CD1 3.64Å; H175-F196 AromaticContact NE2-CE1 3.69Å; H175-D245 PolarHBondContact N-OD1 3.49Å; H175-D245 PolarHBondContact N-OD2 3.15Å
176	R	97.1	Very high	96	Very high	19 Å²	19	31.6 Å²	31.6	7%	0.072	15%	0.154	C	C	.	.	S	Bend	trans	63.5	-18.8	178.9	-54.3	-163.6	-66.9	-171.7	-3	116.7	V174 S198 T200 E217 T222 M231 D245	V174-R176 HydrophobicContact CB-CG 4.06Å; V174-R176 HydrophobicContact CG1-CG 3.68Å; R176-S198 PolarHBondContact NE-O 3.26Å; R176-S198 PolarHBondContact NH2-O 3.34Å; R176-S198 VanDerWaalsContact NH2-O 3.11Å; R176-T200 HydrophobicContact CG-CG2 4.26Å; R176-E217 IonicContact CZ-OE1 3.2Å; R176-E217 VanDerWaalsContact CZ-OE1 3.32Å; R176-E217 IonicContact NH1-OE1 3.64Å; R176-E217 PolarHBondContact NH1-OE1 3.16Å; R176-E217 IonicContact NH2-OE1 3.67Å; R176-E217 PolarHBondContact NH2-OE1 2.86Å; R176-T222 HydrophobicContact CB-CG2 3.85Å; R176-T222 WeakPolarHBondContact O-CG2 3.43Å; R176-M231 HydrophobicContact CB-CE 4.3Å; R176-M231 HydrophobicContact CG-CE 4.16Å; R176-D245 PolarHBondContact N-OD1 2.95Å
177	D	96.8	Very high	95.7	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	18%	0.182	C	C	.	.			trans	-131	54.8	177	-159.8	53.7	0	0	0	112.2	H175 K179 N182 T223	H175-D177 PolarHBondContact ND1-O 2.94Å; H175-D177 PolarHBondContact O-N 3.39Å; D177-K179 PolarHBondContact O-N 3.39Å; D177-K179 IonicContact OD1-NZ 2.64Å; D177-K179 WeakPolarHBondContact OD2-CE 3.37Å; D177-K179 IonicContact OD2-NZ 2.7Å; D177-K179 PolarHBondContact OD2-NZ 2.86Å; D177-N182 PolarHBondContact O-ND2 3.37Å; D177-N182 PolarHBondContact OD2-ND2 3.28Å; D177-T223 VanDerWaalsContact OD1-CB 3.29Å; D177-T223 WeakPolarHBondContact OD1-CB 3.26Å; D177-T223 PolarHBondContact OD1-N 3.4Å; D177-T223 PolarHBondContact OD1-OG1 3.48Å
178	L	98.4	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.			trans	-78.2	117.2	171.7	-67.7	178.2	0	0	0	110.3	V163 H175 L193 Y226 D245 A248 L249	V163-L178 HydrophobicContact CG1-CD1 4.35Å; V163-L178 HydrophobicContact CG2-CD1 3.64Å; V163-L178 HydrophobicContact CG2-CD2 3.93Å; V163-L178 HydrophobicContact CG2-CG 4.47Å; H175-L178 HydrophobicContact CB-CD2 3.78Å; H175-L178 HydrophobicContact CB-CG 3.86Å; L178-L193 HydrophobicContact CD2-CD1 3.67Å; L178-L193 HydrophobicContact CD2-CD2 3.9Å; L178-L193 HydrophobicContact CD2-CG 4.46Å; L178-Y226 WeakPolarHBondContact O-CD1 3.5Å; L178-D245 HydrophobicContact CD1-CB 3.66Å; L178-A248 HydrophobicContact CB-CB 3.95Å; L178-L249 HydrophobicContact CD1-CD2 4.15Å; L178-L249 HydrophobicContact CD1-CG 3.96Å
179	K	97.1	Very high	95.4	Very high	38 Å²	38	42.7 Å²	42.7	17%	0.165	22%	0.218	C	C	.	.			trans	-156.8	158.8	-177.1	64.6	-173.5	-171.5	-151.7	0	110.9	D177 E181 N182 T223 Y226	D177-K179 PolarHBondContact O-N 3.39Å; D177-K179 IonicContact OD1-NZ 2.64Å; D177-K179 WeakPolarHBondContact OD2-CE 3.37Å; D177-K179 IonicContact OD2-NZ 2.7Å; D177-K179 PolarHBondContact OD2-NZ 2.86Å; K179-E181 VanDerWaalsContact CB-OE2 3.3Å; K179-E181 WeakPolarHBondContact CB-OE2 3.27Å; K179-E181 HydrophobicContact CD-CB 4.25Å; K179-E181 HydrophobicContact CG-CB 4.05Å; K179-E181 WeakPolarHBondContact CG-OE2 3.28Å; K179-E181 PolarHBondContact O-N 3.12Å; K179-N182 VanDerWaalsContact CE-OD1 3.3Å; K179-N182 WeakPolarHBondContact CE-OD1 3.28Å; K179-N182 HydrophobicContact CG-CB 4.11Å; K179-N182 PolarHBondContact O-N 3.44Å; K179-T223 PolarHBondContact NZ-OG1 2.64Å; K179-Y226 HydrophobicContact CB-CD1 4.37Å; K179-Y226 HydrophobicContact CB-CD2 4.01Å; K179-Y226 HydrophobicContact CB-CE1 3.91Å; K179-Y226 HydrophobicContact CB-CE2 3.46Å; K179-Y226 VanDerWaalsContact CB-CE2 3.46Å; K179-Y226 HydrophobicContact CB-CG 4.4Å; K179-Y226 WeakPolarHBondContact CB-OH 3.45Å
180	V	96.9	Very high	95.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.9	-23	-176	-63.2	0	0	0	0	113.9	V136 M139 N182 I183 Y226 L252 K255 L256	V136-V180 HydrophobicContact CG2-CB 4.34Å; V136-V180 HydrophobicContact CG2-CG2 3.69Å; M139-V180 HydrophobicContact SD-CB 4.29Å; M139-V180 HydrophobicContact SD-CG1 4.47Å; M139-V180 HydrophobicContact SD-CG2 4.05Å; V180-N182 PolarHBondContact O-N 2.88Å; V180-I183 PolarHBondContact O-N 2.7Å; V180-Y226 PolarHBondContact N-OH 2.79Å; V180-L252 HydrophobicContact CG1-CD2 4.44Å; V180-L252 HydrophobicContact CG1-CG 3.93Å; V180-K255 HydrophobicContact CG1-CD 4.25Å; V180-K255 HydrophobicContact CG1-CG 4.49Å; V180-K255 HydrophobicContact CG2-CD 3.62Å; V180-K255 VanDerWaalsContact CG2-CE 3.48Å; V180-K255 HydrophobicContact CG2-CG 4.44Å; V180-L256 HydrophobicContact CG1-CD2 3.86Å; V180-L256 HydrophobicContact CG1-CG 4.21Å
181	E	94.9	Very high	96	Very high	51 Å²	51	31.6 Å²	31.6	24%	0.238	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-64.5	-30.7	173	-60.9	61.6	-151.1	0	0	111.5	Q134 V136 K179 Y226 K255	Q134-E181 WeakPolarHBondContact CG-O 3.39Å; V136-E181 HydrophobicContact CG2-CB 4.4Å; V136-E181 HydrophobicContact CG2-CG 3.95Å; K179-E181 VanDerWaalsContact CB-OE2 3.3Å; K179-E181 WeakPolarHBondContact CB-OE2 3.27Å; K179-E181 HydrophobicContact CD-CB 4.25Å; K179-E181 HydrophobicContact CG-CB 4.05Å; K179-E181 WeakPolarHBondContact CG-OE2 3.28Å; K179-E181 PolarHBondContact O-N 3.12Å; E181-Y226 PolarHBondContact OE2-OH 2.89Å; E181-K255 IonicContact OE1-NZ 3.75Å; E181-K255 PolarHBondContact OE1-NZ 2.78Å; E181-K255 IonicContact OE2-NZ 3.28Å
182	N	97.1	Very high	96.3	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.059	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-95.3	10.8	-177.1	-66.7	-1.3	0	0	0	112.8	D177 K179 V180 C194	D177-N182 PolarHBondContact O-ND2 3.37Å; D177-N182 PolarHBondContact OD2-ND2 3.28Å; K179-N182 VanDerWaalsContact CE-OD1 3.3Å; K179-N182 WeakPolarHBondContact CE-OD1 3.28Å; K179-N182 HydrophobicContact CG-CB 4.11Å; K179-N182 PolarHBondContact O-N 3.44Å; V180-N182 PolarHBondContact O-N 2.88Å; N182-C194 PolarHBondContact O-N 3.27Å; N182-C194 PolarHBondContact O-SG 3.32Å; N182-C194 VanDerWaalsContact O-SG 3.33Å
183	I	98.4	Very high	96.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124	173.6	-49.5	-59.3	0	0	0	109.2	Q134 V135 I155 T159 V180 Y191 V192 L193 L252	Q134-I183 CarbonylContact C-O 3.51Å; Q134-I183 WeakPolarHBondContact CA-O 3.49Å; V135-I183 HydrophobicContact CB-CB 4.43Å; V135-I183 HydrophobicContact CG2-CB 3.88Å; V135-I183 HydrophobicContact CG2-CG2 3.67Å; V135-I183 PolarHBondContact N-O 3.25Å; I155-I183 HydrophobicContact CG2-CG2 4.28Å; T159-I183 HydrophobicContact CG2-CD1 3.72Å; V180-I183 PolarHBondContact O-N 2.7Å; I183-Y191 HydrophobicContact CG2-CD1 4.35Å; I183-V192 WeakPolarHBondContact CA-O 3.5Å; I183-L193 HydrophobicContact CD1-CD1 3.78Å; I183-L252 HydrophobicContact CD1-CD1 4.45Å; I183-L252 HydrophobicContact CG1-CD1 4.21Å
184	L	97.8	Very high	96.4	Very high	29 Å²	29	28.2 Å²	28.2	15%	0.152	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	152.9	-178.8	-47.5	-179.9	0	0	0	111.5	C130 G133 Q134 Y191 V192 C194	C130-L184 HydrophobicContact CB-CB 3.66Å; C130-L184 HydrophobicContact CB-CD1 3.91Å; C130-L184 HydrophobicContact CB-CG 4.42Å; G133-L184 CarbonylContact O-C 3.57Å; G133-L184 VanDerWaalsContact O-CA 3.26Å; G133-L184 WeakPolarHBondContact O-CA 3.37Å; Q134-L184 HydrophobicContact CB-CD2 4.24Å; Q134-L184 HydrophobicContact CG-CD2 3.62Å; L184-Y191 CarbonylContact O-C 3.48Å; L184-Y191 VanDerWaalsContact O-CA 3.3Å; L184-Y191 WeakPolarHBondContact O-CA 3.3Å; L184-V192 HydrophobicContact CB-CG2 3.89Å; L184-V192 PolarHBondContact N-O 3.3Å; L184-V192 PolarHBondContact O-N 3.16Å; L184-C194 HydrophobicContact CD1-CB 3.98Å; L184-C194 HydrophobicContact CG-CB 4.3Å
185	L	97.4	Very high	96.2	Very high	33 Å²	33	31 Å²	31	17%	0.173	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.9	171.2	173.8	60	0	0	0	110.6	G132 G133 L138 Y191	G132-L185 VanDerWaalsContact CA-O 3.29Å; G132-L185 WeakPolarHBondContact CA-O 3.22Å; G132-L185 PolarHBondContact N-O 2.86Å; G133-L185 PolarHBondContact O-N 3.49Å; L138-L185 HydrophobicContact CD1-CB 4.49Å; L138-L185 HydrophobicContact CD1-CD2 4.01Å; L185-Y191 HydrophobicContact CB-CD1 4.16Å; L185-Y191 HydrophobicContact CB-CE1 3.97Å; L185-Y191 HydrophobicContact CD1-CD1 4.2Å; L185-Y191 HydrophobicContact CD1-CE1 3.85Å; L185-Y191 HydrophobicContact CG-CE1 4.34Å
186	H	95.3	Very high	96.1	Very high	21 Å²	21	31 Å²	31	10%	0.097	16%	0.16	C	C	.	.			trans	-71.3	151.9	176	-152.4	-58.4	0	0	0	110.7	K188 G189 H190 V192	H186-K188 PolarHBondContact O-N 3.24Å; H186-K188 VanDerWaalsContact O-N 3.11Å; H186-G189 PolarHBondContact O-N 3.03Å; H186-H190 WeakPolarHBondContact CB-O 3.16Å; H186-H190 AromaticContact CD2-CE1 4Å; H186-H190 AromaticContact CD2-NE2 3.44Å; H186-H190 PolarHBondContact CD2-NE2 2.86Å; H186-H190 AromaticContact CG-CE1 3.77Å; H186-H190 AromaticContact CG-NE2 3.52Å; H186-H190 PolarHBondContact N-O 3.08Å; H186-V192 HydrophobicContact CB-CG1 4.28Å
187	D	91.4	Very high	95.9	Very high	108 Å²	108	30.8 Å²	30.8	58%	0.578	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.5	176.9	72.9	-22.7	0	0	0	114.4	K131 G189	K131-D187 HydrophobicContact CB-CB 4.3Å; D187-G189 VanDerWaalsContact C-N 3.26Å; D187-G189 PolarHBondContact O-N 3.03Å
188	K	91.4	Very high	95.9	Very high	154 Å²	154	31.2 Å²	31.2	67%	0.67	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	6.1	174.2	-67.2	155.2	-170.9	166	0	114	H186 H190	H186-K188 PolarHBondContact O-N 3.24Å; H186-K188 VanDerWaalsContact O-N 3.11Å; K188-H190 PolarHBondContact O-N 3.19Å
189	G	92.9	Very high	95.8	Very high	39 Å²	39	31.7 Å²	31.7	40%	0.402	17%	0.172	S	C	.	.	S	Bend	trans	78.6	14.7	172.6	0	0	0	0	0	116.6	Q154 H186 D187	Q154-G189 PolarHBondContact NE2-O 3.45Å; H186-G189 PolarHBondContact O-N 3.03Å; D187-G189 VanDerWaalsContact C-N 3.26Å; D187-G189 PolarHBondContact O-N 3.03Å
190	H	95.5	Very high	95.6	Very high	38 Å²	38	30.8 Å²	30.8	18%	0.176	17%	0.17	C	C	.	.			trans	-112.8	160.7	171.7	60.7	-94.6	0	0	0	110.7	K102 D158 H186 K188	K102-H190 PolarHBondContact O-CD2 3.38Å; K102-H190 VanDerWaalsContact O-CD2 3.24Å; K102-H190 PolarHBondContact O-NE2 3.03Å; K102-H190 VanDerWaalsContact O-NE2 3.1Å; D158-H190 WeakPolarHBondContact OD2-CA 3.26Å; D158-H190 WeakPolarHBondContact OD2-CB 3.46Å; H186-H190 WeakPolarHBondContact CB-O 3.16Å; H186-H190 AromaticContact CD2-CE1 4Å; H186-H190 AromaticContact CD2-NE2 3.44Å; H186-H190 PolarHBondContact CD2-NE2 2.86Å; H186-H190 AromaticContact CG-CE1 3.77Å; H186-H190 AromaticContact CG-NE2 3.52Å; H186-H190 PolarHBondContact N-O 3.08Å; K188-H190 PolarHBondContact O-N 3.19Å
191	Y	98.3	Very high	95.4	Very high	17 Å²	17	33.9 Å²	33.9	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.4	-178.6	-61.1	-83.8	0	0	0	111.6	N103 V135 L138 Q154 I155 D158 I183 L184 L185	N103-Y191 WeakPolarHBondContact CB-O 3.3Å; N103-Y191 PolarHBondContact ND2-O 3Å; V135-Y191 HydrophobicContact CG2-CD1 3.72Å; V135-Y191 HydrophobicContact CG2-CE1 3.85Å; L138-Y191 HydrophobicContact CD1-CE1 4.05Å; Q154-Y191 HydrophobicContact CB-CE2 4.44Å; Q154-Y191 HydrophobicContact CG-CD2 4.26Å; Q154-Y191 HydrophobicContact CG-CE2 3.95Å; I155-Y191 HydrophobicContact CB-CD2 4.22Å; I155-Y191 HydrophobicContact CB-CE2 4.31Å; I155-Y191 HydrophobicContact CB-CG 4.43Å; I155-Y191 HydrophobicContact CD1-CE1 4.45Å; I155-Y191 HydrophobicContact CG1-CD1 4.07Å; I155-Y191 HydrophobicContact CG1-CD2 3.8Å; I155-Y191 HydrophobicContact CG1-CE1 3.74Å; I155-Y191 HydrophobicContact CG1-CE2 3.44Å; I155-Y191 VanDerWaalsContact CG1-CE2 3.44Å; I155-Y191 HydrophobicContact CG1-CG 4.1Å; I155-Y191 VanDerWaalsContact CG1-CZ 3.4Å; I155-Y191 HydrophobicContact CG2-CG 4.47Å; D158-Y191 PolarHBondContact OD2-N 2.86Å; I183-Y191 HydrophobicContact CG2-CD1 4.35Å; L184-Y191 CarbonylContact O-C 3.48Å; L184-Y191 VanDerWaalsContact O-CA 3.3Å; L184-Y191 WeakPolarHBondContact O-CA 3.3Å; L185-Y191 HydrophobicContact CB-CD1 4.16Å; L185-Y191 HydrophobicContact CB-CE1 3.97Å; L185-Y191 HydrophobicContact CD1-CD1 4.2Å; L185-Y191 HydrophobicContact CD1-CE1 3.85Å; L185-Y191 HydrophobicContact CG-CE1 4.34Å
192	V	98.1	Very high	95.2	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.6	178.6	-52.7	0	0	0	0	112.3	K102 N103 V105 C130 I183 L184 H186	K102-V192 WeakPolarHBondContact O-CG1 3.4Å; N103-V192 CarbonylContact O-C 3.43Å; N103-V192 VanDerWaalsContact O-CA 3.32Å; N103-V192 WeakPolarHBondContact O-CA 3.45Å; V105-V192 HydrophobicContact CB-CG2 4.27Å; C130-V192 WeakPolarHBondContact SG-CG2 3.31Å; I183-V192 WeakPolarHBondContact CA-O 3.5Å; L184-V192 HydrophobicContact CB-CG2 3.89Å; L184-V192 PolarHBondContact N-O 3.3Å; L184-V192 PolarHBondContact O-N 3.16Å; H186-V192 HydrophobicContact CB-CG1 4.28Å
193	L	98.4	Very high	95.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.5	172.3	179.8	61.2	0	0	0	110.8	N103 V105 A162 V163 L178 I183 F196	N103-L193 PolarHBondContact O-N 2.94Å; V105-L193 PolarHBondContact N-O 3.19Å; A162-L193 HydrophobicContact CB-CB 3.94Å; A162-L193 HydrophobicContact CB-CD2 4.23Å; V163-L193 HydrophobicContact CG2-CD2 4.32Å; L178-L193 HydrophobicContact CD2-CD1 3.67Å; L178-L193 HydrophobicContact CD2-CD2 3.9Å; L178-L193 HydrophobicContact CD2-CG 4.46Å; I183-L193 HydrophobicContact CD1-CD1 3.78Å; L193-F196 HydrophobicContact CD2-CE1 4.22Å; L193-F196 HydrophobicContact CD2-CZ 4.5Å; L193-F196 HydrophobicContact CG-CE1 4.36Å; L193-F196 HydrophobicContact CG-CZ 4.29Å
194	C	95.9	Very high	94.6	Very high	18 Å²	18	41.4 Å²	41.4	12%	0.122	22%	0.219	C	C	.	.			trans	-135.5	175.8	175.4	71.8	0	0	0	0	113.2	V105 N182 L184	V105-C194 HydrophobicContact CB-CB 4.18Å; V105-C194 HydrophobicContact CG1-CB 3.71Å; N182-C194 PolarHBondContact O-N 3.27Å; N182-C194 PolarHBondContact O-SG 3.32Å; N182-C194 VanDerWaalsContact O-SG 3.33Å; L184-C194 HydrophobicContact CD1-CB 3.98Å; L184-C194 HydrophobicContact CG-CB 4.3Å
195	D	93.5	Very high	94.3	Very high	60 Å²	60	41.6 Å²	41.6	32%	0.321	22%	0.22	S	C	.	.			trans	63.1	79.6	178.7	-159.3	14.8	0	0	0	115.5	K75 H175 G197	K75-D195 IonicContact NZ-OD1 2.66Å; K75-D195 PolarHBondContact NZ-OD1 3.48Å; H175-D195 PolarHBondContact CE1-O 2.89Å; H175-D195 VanDerWaalsContact CE1-O 3.28Å; D195-G197 VanDerWaalsContact C-N 3.27Å; D195-G197 PolarHBondContact O-N 2.7Å
196	F	96.1	Very high	94	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-87.8	11.6	179.3	-59	-80	0	0	0	113.2	E91 I94 M95 L98 I104 V105 L166 H175 L193 S198 A199	E91-F196 HydrophobicContact CG-CB 4.14Å; I94-F196 HydrophobicContact CG2-CB 3.98Å; I94-F196 HydrophobicContact CG2-CD1 3.96Å; I94-F196 HydrophobicContact CG2-CG 3.98Å; M95-F196 HydrophobicContact CE-CD2 4.44Å; M95-F196 HydrophobicContact CG-CB 4.46Å; M95-F196 HydrophobicContact CG-CD2 3.6Å; M95-F196 HydrophobicContact CG-CE2 4.3Å; M95-F196 HydrophobicContact CG-CG 4.35Å; M95-F196 HydrophobicContact SD-CD2 4.21Å; L98-F196 HydrophobicContact CD1-CD1 4.49Å; L98-F196 HydrophobicContact CD1-CE1 4.13Å; L98-F196 HydrophobicContact CD1-CZ 4.41Å; I104-F196 HydrophobicContact CG2-CE2 3.96Å; I104-F196 HydrophobicContact CG2-CZ 3.73Å; V105-F196 HydrophobicContact CG1-CE2 4.34Å; L166-F196 HydrophobicContact CD1-CE1 4.16Å; L166-F196 HydrophobicContact CD2-CD1 4.39Å; L166-F196 HydrophobicContact CD2-CE1 4.08Å; H175-F196 AromaticContact CD2-CD1 3.67Å; H175-F196 AromaticContact CD2-CE1 3.67Å; H175-F196 AromaticContact NE2-CD1 3.64Å; H175-F196 AromaticContact NE2-CE1 3.69Å; L193-F196 HydrophobicContact CD2-CE1 4.22Å; L193-F196 HydrophobicContact CD2-CZ 4.5Å; L193-F196 HydrophobicContact CG-CE1 4.36Å; L193-F196 HydrophobicContact CG-CZ 4.29Å; F196-S198 PolarHBondContact O-N 2.88Å; F196-S198 VanDerWaalsContact O-N 3.16Å; F196-A199 HydrophobicContact CB-CB 4.2Å; F196-A199 HydrophobicContact CD1-CB 4.47Å; F196-A199 VanDerWaalsContact O-CB 3.31Å; F196-A199 WeakPolarHBondContact O-CB 3.48Å; F196-A199 PolarHBondContact O-N 2.87Å
197	G	93.1	Very high	93.7	Very high	15 Å²	15	43.7 Å²	43.7	16%	0.155	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.6	-178.3	0	0	0	0	0	115.2	V87 E91 D195	V87-G197 VanDerWaalsContact CG1-O 3.26Å; V87-G197 WeakPolarHBondContact CG1-O 3.26Å; E91-G197 PolarHBondContact OE1-N 3.02Å; D195-G197 VanDerWaalsContact C-N 3.27Å; D195-G197 PolarHBondContact O-N 2.7Å
198	S	95.1	Very high	93.7	Very high	18 Å²	18	43.8 Å²	43.8	13%	0.126	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-96.3	-9.5	174	-69.9	0	0	0	0	114.4	R176 F196 Y221	R176-S198 PolarHBondContact NE-O 3.26Å; R176-S198 PolarHBondContact NH2-O 3.34Å; R176-S198 VanDerWaalsContact NH2-O 3.11Å; F196-S198 PolarHBondContact O-N 2.88Å; F196-S198 VanDerWaalsContact O-N 3.16Å; S198-Y221 WeakPolarHBondContact CB-O 3.48Å; S198-Y221 PolarHBondContact OG-O 3.5Å
199	A	96.5	Very high	93.5	Very high	10 Å²	10	38.9 Å²	38.9	8%	0.083	21%	0.214	C	C	.	.			trans	-74.4	146.3	-167.7	0	0	0	0	0	112.6	I94 I173 V174 F196	I94-A199 HydrophobicContact CD1-CB 3.81Å; I173-A199 HydrophobicContact CG2-CB 4Å; V174-A199 CarbonylContact O-C 3.57Å; V174-A199 VanDerWaalsContact O-CA 3.26Å; V174-A199 WeakPolarHBondContact O-CA 3.41Å; F196-A199 HydrophobicContact CB-CB 4.2Å; F196-A199 HydrophobicContact CD1-CB 4.47Å; F196-A199 VanDerWaalsContact O-CB 3.31Å; F196-A199 WeakPolarHBondContact O-CB 3.48Å; F196-A199 PolarHBondContact O-N 2.87Å
200	T	94.6	Very high	93.5	Very high	20 Å²	20	38.8 Å²	38.8	12%	0.123	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-145.2	148.8	-177.2	-173.3	0	0	0	0	112.2	I173 V174 R176 R202	I173-T200 WeakPolarHBondContact CA-O 3.27Å; V174-T200 HydrophobicContact CB-CG2 4.36Å; V174-T200 PolarHBondContact N-O 2.59Å; V174-T200 PolarHBondContact O-N 2.86Å; R176-T200 HydrophobicContact CG-CG2 4.26Å; T200-R202 WeakPolarHBondContact CG2-O 3.26Å; T200-R202 PolarHBondContact OG1-N 3.32Å; T200-R202 VanDerWaalsContact OG1-N 3.08Å
201	S	92.4	Very high	93.4	Very high	65 Å²	65	38.3 Å²	38.3	46%	0.455	21%	0.212	S	C	.	.	S	Bend	trans	-97	2.8	167.4	59.6	0	0	0	0	113.2	P172	P172-S201 WeakPolarHBondContact O-CA 3.43Å
202	R	90.9	Very high	93.1	Very high	137 Å²	137	41.1 Å²	41.1	52%	0.517	24%	0.239	S	C	.	.			trans	-88.1	126.1	173.8	-176.1	-177	-173	149.4	9.1	109.5	T200 E209	T200-R202 WeakPolarHBondContact CG2-O 3.26Å; T200-R202 PolarHBondContact OG1-N 3.32Å; T200-R202 VanDerWaalsContact OG1-N 3.08Å; R202-E209 IonicContact CZ-OE1 3.48Å; R202-E209 IonicContact NE-OE1 3.53Å; R202-E209 PolarHBondContact NE-OE1 2.73Å; R202-E209 IonicContact NE-OE2 3.92Å; R202-E209 IonicContact NH2-OE1 2.75Å; R202-E209 PolarHBondContact NH2-OE1 3.47Å; R202-E209 IonicContact NH2-OE2 3.4Å
203	F	93.5	Very high	92.8	Very high	83 Å²	83	43.9 Å²	43.9	36%	0.364	26%	0.262	S	S	.	.			trans	-83.8	113.6	162.7	-64.1	-13.1	0	0	0	108.1	P172 V174 I239 I240 T241 T242	P172-F203 HydrophobicContact CB-CE1 4.33Å; P172-F203 HydrophobicContact CB-CZ 4.01Å; P172-F203 HydrophobicContact CG-CZ 4.26Å; V174-F203 HydrophobicContact CG2-CD1 3.9Å; V174-F203 HydrophobicContact CG2-CE1 3.75Å; F203-I239 HydrophobicContact CB-CG2 3.89Å; F203-I240 CarbonylContact C-O 3.28Å; F203-I240 VanDerWaalsContact CA-O 3.25Å; F203-I240 WeakPolarHBondContact CA-O 3.18Å; F203-I240 WeakPolarHBondContact CB-O 3.17Å; F203-T241 HydrophobicContact CB-CG2 4.21Å; F203-T241 HydrophobicContact CD1-CG2 4.42Å; F203-T241 HydrophobicContact CD2-CG2 3.74Å; F203-T241 HydrophobicContact CE2-CG2 4.18Å; F203-T241 HydrophobicContact CG-CG2 3.88Å; F203-T242 HydrophobicContact CE1-CG2 3.97Å; F203-T242 HydrophobicContact CZ-CG2 4.08Å
204	Q	89	Confident	92.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-79.7	133.1	-175.3	-63.7	170.4	-85.3	0	0	110	E209 E217 I239 I240	Q204-E209 VanDerWaalsContact CA-OE2 3.3Å; Q204-E209 WeakPolarHBondContact CA-OE2 3.22Å; Q204-E209 WeakPolarHBondContact CB-OE2 3.29Å; Q204-E217 PolarHBondContact NE2-OE2 3.06Å; Q204-I239 WeakPolarHBondContact O-CG2 3.42Å; Q204-I240 HydrophobicContact CB-CB 4.29Å; Q204-I240 HydrophobicContact CB-CD1 4.44Å; Q204-I240 PolarHBondContact N-O 2.86Å; Q204-I240 PolarHBondContact O-N 2.85Å
205	N	91.8	Very high	92.5	Very high	34 Å²	34	48 Å²	48	18%	0.182	28%	0.28	C	S	.	.			trans	-120.4	101	174.4	177.2	2.7	0	0	0	109.6	Q207 T208 E209 I239	N205-Q207 PolarHBondContact O-N 3.4Å; N205-Q207 PolarHBondContact OD1-N 3.24Å; N205-Q207 VanDerWaalsContact OD1-N 3.16Å; N205-T208 WeakPolarHBondContact CB-OG1 3.21Å; N205-T208 PolarHBondContact ND2-OG1 3.45Å; N205-T208 PolarHBondContact O-N 2.6Å; N205-T208 PolarHBondContact O-OG1 3Å; N205-E209 PolarHBondContact N-OE2 2.87Å; N205-E209 WeakPolarHBondContact O-CB 3.24Å; N205-E209 VanDerWaalsContact O-CG 3.32Å; N205-E209 WeakPolarHBondContact O-CG 3.28Å; N205-E209 PolarHBondContact O-N 3.39Å; N205-I239 HydrophobicContact CB-CG1 4.2Å; N205-I239 HydrophobicContact CB-CG2 4.46Å
206	P	90.5	Very high	92.5	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-56.3	-25.9	-176.7	-26.5	34.6	0	0	0	114.7	G210 V211 A214 L234 I240	P206-G210 CarbonylContact O-C 3.59Å; P206-G210 VanDerWaalsContact O-C 3.28Å; P206-G210 WeakPolarHBondContact O-CA 3.27Å; P206-G210 PolarHBondContact O-N 3.15Å; P206-V211 HydrophobicContact CB-CG2 4.15Å; P206-V211 PolarHBondContact O-N 2.66Å; P206-A214 HydrophobicContact CB-CB 4.1Å; P206-A214 HydrophobicContact CG-CB 4.07Å; P206-L234 HydrophobicContact CB-CB 3.97Å; P206-L234 HydrophobicContact CG-CB 4.03Å; P206-L234 HydrophobicContact CG-CD2 3.96Å; P206-L234 HydrophobicContact CG-CG 4.43Å; P206-I240 HydrophobicContact CG-CD1 4.48Å
207	Q	88.8	Confident	92.3	Very high	95 Å²	95	54.2 Å²	54.2	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-77.1	-28.5	-179.3	-59.1	-58	-45.4	0	0	113	N205 L234 N237	N205-Q207 PolarHBondContact O-N 3.4Å; N205-Q207 PolarHBondContact OD1-N 3.24Å; N205-Q207 VanDerWaalsContact OD1-N 3.16Å; Q207-L234 PolarHBondContact NE2-O 3.3Å; Q207-L234 VanDerWaalsContact NE2-O 3.17Å; Q207-N237 WeakPolarHBondContact CG-OD1 3.4Å; Q207-N237 PolarHBondContact NE2-OD1 3.11Å
208	T	90.4	Very high	92.4	Very high	109 Å²	109	53.7 Å²	53.7	67%	0.669	30%	0.3	S	S	*	.	H	α-helix	trans	-98.3	-21.1	175.4	52.4	0	0	0	0	113.4	N205	N205-T208 WeakPolarHBondContact CB-OG1 3.21Å; N205-T208 PolarHBondContact ND2-OG1 3.45Å; N205-T208 PolarHBondContact O-N 2.6Å; N205-T208 PolarHBondContact O-OG1 3Å
209	E	88.3	Confident	92.3	Very high	52 Å²	52	59.6 Å²	59.6	24%	0.243	32%	0.324	C	S	.	.	H	α-helix	trans	-102.1	-13.3	-174.3	-61.6	176.3	171.1	0	0	112.9	R202 Q204 N205	R202-E209 IonicContact CZ-OE1 3.48Å; R202-E209 IonicContact NE-OE1 3.53Å; R202-E209 PolarHBondContact NE-OE1 2.73Å; R202-E209 IonicContact NE-OE2 3.92Å; R202-E209 IonicContact NH2-OE1 2.75Å; R202-E209 PolarHBondContact NH2-OE1 3.47Å; R202-E209 IonicContact NH2-OE2 3.4Å; Q204-E209 VanDerWaalsContact CA-OE2 3.3Å; Q204-E209 WeakPolarHBondContact CA-OE2 3.22Å; Q204-E209 WeakPolarHBondContact CB-OE2 3.29Å; N205-E209 PolarHBondContact N-OE2 2.87Å; N205-E209 WeakPolarHBondContact O-CB 3.24Å; N205-E209 VanDerWaalsContact O-CG 3.32Å; N205-E209 WeakPolarHBondContact O-CG 3.28Å; N205-E209 PolarHBondContact O-N 3.39Å
210	G	91.9	Very high	92.1	Very high	37 Å²	37	63.2 Å²	63.2	38%	0.381	34%	0.338	S	S	.	.			trans	89.9	120.5	-175	0	0	0	0	0	111.6	P206 A212 A213 A214	P206-G210 CarbonylContact O-C 3.59Å; P206-G210 VanDerWaalsContact O-C 3.28Å; P206-G210 WeakPolarHBondContact O-CA 3.27Å; P206-G210 PolarHBondContact O-N 3.15Å; G210-A212 VanDerWaalsContact C-N 3.29Å; G210-A212 PolarHBondContact O-N 3.03Å; G210-A213 PolarHBondContact O-N 3.28Å; G210-A213 VanDerWaalsContact O-N 3.1Å; G210-A214 PolarHBondContact O-N 2.93Å; G210-A214 VanDerWaalsContact O-N 3.12Å
211	V	93.6	Very high	92.1	Very high	27 Å²	27	63.3 Å²	63.3	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-54.1	-42.9	-174.7	174.9	0	0	0	0	112.6	P206 A213 A214 E215 L234 Y235	P206-V211 HydrophobicContact CB-CG2 4.15Å; P206-V211 PolarHBondContact O-N 2.66Å; V211-A213 PolarHBondContact O-N 3.3Å; V211-A214 PolarHBondContact O-N 3.33Å; V211-E215 WeakPolarHBondContact O-CB 3.46Å; V211-E215 PolarHBondContact O-N 3.12Å; V211-L234 HydrophobicContact CG1-CB 3.84Å; V211-L234 HydrophobicContact CG1-CD1 3.9Å; V211-L234 HydrophobicContact CG1-CG 4.47Å; V211-Y235 HydrophobicContact CG1-CE1 4.19Å; V211-Y235 HydrophobicContact CG1-CE2 4.21Å; V211-Y235 HydrophobicContact CG2-CE1 4.18Å
212	A	93.1	Very high	92.2	Very high	77 Å²	77	60.7 Å²	60.7	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-65.2	-37.1	-179.4	0	0	0	0	0	113.5	G210 E215 E216	G210-A212 VanDerWaalsContact C-N 3.29Å; G210-A212 PolarHBondContact O-N 3.03Å; A212-E215 PolarHBondContact O-N 3.08Å; A212-E216 PolarHBondContact O-N 3.46Å
213	A	92	Very high	92.4	Very high	59 Å²	59	56.5 Å²	56.5	49%	0.488	31%	0.307	S	S	.	.	H	α-helix	trans	-71	-41.5	177.6	0	0	0	0	0	111.1	G210 V211 E216 E217	G210-A213 PolarHBondContact O-N 3.28Å; G210-A213 VanDerWaalsContact O-N 3.1Å; V211-A213 PolarHBondContact O-N 3.3Å; A213-E216 PolarHBondContact O-N 3.42Å; A213-E217 PolarHBondContact O-N 3.09Å
214	A	92.6	Very high	92.5	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-42.6	172.4	0	0	0	0	0	111.7	P206 G210 V211 E217 I218 L234	P206-A214 HydrophobicContact CB-CB 4.1Å; P206-A214 HydrophobicContact CG-CB 4.07Å; G210-A214 PolarHBondContact O-N 2.93Å; G210-A214 VanDerWaalsContact O-N 3.12Å; V211-A214 PolarHBondContact O-N 3.33Å; A214-E217 PolarHBondContact O-N 2.6Å; A214-I218 WeakPolarHBondContact O-CB 3.43Å; A214-I218 VanDerWaalsContact O-CD1 3.25Å; A214-I218 WeakPolarHBondContact O-CD1 3.24Å; A214-I218 WeakPolarHBondContact O-CG1 3.3Å; A214-I218 PolarHBondContact O-N 3.11Å; A214-L234 HydrophobicContact CB-CD1 4.24Å
215	E	94.1	Very high	92.9	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.1	-164	-168.5	147.6	0	0	111.9	V211 A212 I218 K219 L234	V211-E215 WeakPolarHBondContact O-CB 3.46Å; V211-E215 PolarHBondContact O-N 3.12Å; A212-E215 PolarHBondContact O-N 3.08Å; E215-I218 PolarHBondContact O-N 3.07Å; E215-K219 WeakPolarHBondContact O-CB 3.19Å; E215-K219 PolarHBondContact O-N 3.5Å; E215-L234 HydrophobicContact CB-CD1 3.81Å; E215-L234 HydrophobicContact CG-CD1 4.39Å
216	E	93.4	Very high	93.2	Very high	142 Å²	142	53.7 Å²	53.7	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-61.4	-45.5	176.7	-171.7	179	172.9	0	0	111.6	A212 A213 K219 K220	A212-E216 PolarHBondContact O-N 3.46Å; A213-E216 PolarHBondContact O-N 3.42Å; E216-K219 PolarHBondContact O-N 2.77Å; E216-K220 VanDerWaalsContact O-CB 3.3Å; E216-K220 WeakPolarHBondContact O-CB 3.35Å; E216-K220 PolarHBondContact O-N 3.42Å
217	E	92.9	Very high	93.5	Very high	50 Å²	50	55.1 Å²	55.1	23%	0.234	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-46.7	179	-169.1	178.7	164.9	0	0	111.6	R176 Q204 A213 A214 K219 K220 Y221	R176-E217 IonicContact CZ-OE1 3.2Å; R176-E217 VanDerWaalsContact CZ-OE1 3.32Å; R176-E217 IonicContact NH1-OE1 3.64Å; R176-E217 PolarHBondContact NH1-OE1 3.16Å; R176-E217 IonicContact NH2-OE1 3.67Å; R176-E217 PolarHBondContact NH2-OE1 2.86Å; Q204-E217 PolarHBondContact NE2-OE2 3.06Å; A213-E217 PolarHBondContact O-N 3.09Å; A214-E217 PolarHBondContact O-N 2.6Å; E217-K219 VanDerWaalsContact C-N 3.33Å; E217-K219 PolarHBondContact O-N 3.03Å; E217-K220 PolarHBondContact O-N 2.9Å; E217-Y221 HydrophobicContact CG-CD2 3.58Å; E217-Y221 HydrophobicContact CG-CE2 3.8Å; E217-Y221 VanDerWaalsContact O-CD2 3.25Å; E217-Y221 WeakPolarHBondContact O-CD2 3.31Å; E217-Y221 PolarHBondContact O-N 2.88Å
218	I	94.6	Very high	94	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-43.6	176.7	-67.2	160.5	0	0	0	110.4	A214 E215 K220 Y221 T222 M231 L234 I240	A214-I218 WeakPolarHBondContact O-CB 3.43Å; A214-I218 VanDerWaalsContact O-CD1 3.25Å; A214-I218 WeakPolarHBondContact O-CD1 3.24Å; A214-I218 WeakPolarHBondContact O-CG1 3.3Å; A214-I218 PolarHBondContact O-N 3.11Å; E215-I218 PolarHBondContact O-N 3.07Å; I218-K220 VanDerWaalsContact C-N 3.26Å; I218-K220 PolarHBondContact O-N 3.33Å; I218-Y221 PolarHBondContact O-N 3.2Å; I218-T222 HydrophobicContact CG2-CG2 4.46Å; I218-T222 WeakPolarHBondContact CG2-OG1 3.3Å; I218-T222 WeakPolarHBondContact O-CB 3.13Å; I218-T222 PolarHBondContact O-N 3.11Å; I218-T222 VanDerWaalsContact O-N 3.09Å; I218-T222 PolarHBondContact O-OG1 3.29Å; I218-M231 HydrophobicContact CD1-CB 4.48Å; I218-M231 HydrophobicContact CG2-CB 4Å; I218-M231 HydrophobicContact CG2-CG 4.44Å; I218-L234 HydrophobicContact CD1-CD1 4.27Å; I218-L234 HydrophobicContact CD1-CD2 3.58Å; I218-I240 HydrophobicContact CD1-CD1 3.44Å; I218-I240 VanDerWaalsContact CD1-CD1 3.44Å; I218-I240 HydrophobicContact CG1-CD1 4.2Å
219	K	94	Very high	94.3	Very high	143 Å²	143	45.8 Å²	45.8	62%	0.622	25%	0.25	S	S	*	.	H	α-helix	trans	-64.5	-30.3	179	-171.9	173.4	-175.1	172	0	112.6	E215 E216 E217	E215-K219 WeakPolarHBondContact O-CB 3.19Å; E215-K219 PolarHBondContact O-N 3.5Å; E216-K219 PolarHBondContact O-N 2.77Å; E217-K219 VanDerWaalsContact C-N 3.33Å; E217-K219 PolarHBondContact O-N 3.03Å
220	K	92.4	Very high	94.7	Very high	85 Å²	85	43.3 Å²	43.3	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-80.3	-36.5	178.7	-173.7	174.2	176.8	-176.9	0	113.7	D84 E216 E217 I218	D84-K220 IonicContact OD1-NZ 3.67Å; D84-K220 PolarHBondContact OD1-NZ 3.42Å; D84-K220 IonicContact OD2-NZ 2.71Å; D84-K220 PolarHBondContact OD2-NZ 3.1Å; E216-K220 VanDerWaalsContact O-CB 3.3Å; E216-K220 WeakPolarHBondContact O-CB 3.35Å; E216-K220 PolarHBondContact O-N 3.42Å; E217-K220 PolarHBondContact O-N 2.9Å; I218-K220 VanDerWaalsContact C-N 3.26Å; I218-K220 PolarHBondContact O-N 3.33Å
221	Y	93.5	Very high	95	Very high	22 Å²	22	42 Å²	42	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-113.2	0.7	-169.7	-61.5	-63.6	0	0	0	116.3	H83 V87 S198 E217 I218	H83-Y221 PolarHBondContact CE1-OH 3.01Å; V87-Y221 HydrophobicContact CG1-CE1 4.2Å; S198-Y221 WeakPolarHBondContact CB-O 3.48Å; S198-Y221 PolarHBondContact OG-O 3.5Å; E217-Y221 HydrophobicContact CG-CD2 3.58Å; E217-Y221 HydrophobicContact CG-CE2 3.8Å; E217-Y221 VanDerWaalsContact O-CD2 3.25Å; E217-Y221 WeakPolarHBondContact O-CD2 3.31Å; E217-Y221 PolarHBondContact O-N 2.88Å; I218-Y221 PolarHBondContact O-N 3.2Å
222	T	95.3	Very high	95.1	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.067	23%	0.225	C	C	.	.	S	Bend	trans	-131.6	135.1	-175.7	70.8	0	0	0	0	113.6	R176 I218 R227 M231	R176-T222 HydrophobicContact CB-CG2 3.85Å; R176-T222 WeakPolarHBondContact O-CG2 3.43Å; I218-T222 HydrophobicContact CG2-CG2 4.46Å; I218-T222 WeakPolarHBondContact CG2-OG1 3.3Å; I218-T222 WeakPolarHBondContact O-CB 3.13Å; I218-T222 PolarHBondContact O-N 3.11Å; I218-T222 VanDerWaalsContact O-N 3.09Å; I218-T222 PolarHBondContact O-OG1 3.29Å; T222-R227 PolarHBondContact O-NE 3.18Å; T222-R227 PolarHBondContact O-NH2 3.02Å; T222-R227 WeakPolarHBondContact OG1-CD 3.48Å; T222-R227 WeakPolarHBondContact OG1-CG 3.48Å; T222-R227 PolarHBondContact OG1-NE 2.81Å; T222-M231 HydrophobicContact CG2-CE 4.14Å; T222-M231 HydrophobicContact CG2-SD 4.3Å
223	T	94.6	Very high	95.1	Very high	48 Å²	48	42 Å²	42	29%	0.294	21%	0.212	S	C	.	.			trans	-71.3	124.6	174.3	-56.7	0	0	0	0	111.1	D177 K179 S225 Y226 R227	D177-T223 VanDerWaalsContact OD1-CB 3.29Å; D177-T223 WeakPolarHBondContact OD1-CB 3.26Å; D177-T223 PolarHBondContact OD1-N 3.4Å; D177-T223 PolarHBondContact OD1-OG1 3.48Å; K179-T223 PolarHBondContact NZ-OG1 2.64Å; T223-S225 PolarHBondContact O-N 3Å; T223-Y226 HydrophobicContact CG2-CD2 3.83Å; T223-Y226 HydrophobicContact CG2-CE2 4.29Å; T223-Y226 PolarHBondContact O-N 3.03Å; T223-R227 PolarHBondContact O-N 2.85Å
224	L	95.3	Very high	95.2	Very high	38 Å²	38	39.6 Å²	39.6	20%	0.199	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-52.2	-49.2	-169.5	176.5	56.3	0	0	0	114	Y226 R227 E265 Q267	L224-Y226 PolarHBondContact O-N 2.91Å; L224-Y226 VanDerWaalsContact O-N 3.07Å; L224-R227 WeakPolarHBondContact O-CB 3.43Å; L224-R227 PolarHBondContact O-N 2.95Å; L224-E265 HydrophobicContact CD2-CB 3.9Å; L224-E265 HydrophobicContact CD2-CG 4.3Å; L224-E265 HydrophobicContact CG-CB 4.38Å; L224-Q267 HydrophobicContact CD1-CG 4.24Å
225	S	97.3	Very high	95.2	Very high	12 Å²	12	47.6 Å²	47.6	8%	0.084	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-63.5	-12.4	-179.3	-50.2	0	0	0	0	115.8	T223 C251 G264	T223-S225 PolarHBondContact O-N 3Å; S225-C251 PolarHBondContact O-SG 3.19Å; S225-G264 WeakPolarHBondContact CA-O 3.32Å; S225-G264 WeakPolarHBondContact CB-O 3.26Å; S225-G264 PolarHBondContact OG-O 3.39Å
226	Y	98.3	Very high	94.8	Very high	10 Å²	10	45 Å²	45	4%	0.039	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-108.2	-3.5	177.7	-66	-92.4	0	0	0	112.7	L178 K179 V180 E181 T223 L224 A228 A248 C251 L252 K255 L261	L178-Y226 WeakPolarHBondContact O-CD1 3.5Å; K179-Y226 HydrophobicContact CB-CD1 4.37Å; K179-Y226 HydrophobicContact CB-CD2 4.01Å; K179-Y226 HydrophobicContact CB-CE1 3.91Å; K179-Y226 HydrophobicContact CB-CE2 3.46Å; K179-Y226 VanDerWaalsContact CB-CE2 3.46Å; K179-Y226 HydrophobicContact CB-CG 4.4Å; K179-Y226 WeakPolarHBondContact CB-OH 3.45Å; V180-Y226 PolarHBondContact N-OH 2.79Å; E181-Y226 PolarHBondContact OE2-OH 2.89Å; T223-Y226 HydrophobicContact CG2-CD2 3.83Å; T223-Y226 HydrophobicContact CG2-CE2 4.29Å; T223-Y226 PolarHBondContact O-N 3.03Å; L224-Y226 PolarHBondContact O-N 2.91Å; L224-Y226 VanDerWaalsContact O-N 3.07Å; Y226-A228 PolarHBondContact O-N 3.31Å; Y226-A248 HydrophobicContact CD1-CB 4.45Å; Y226-C251 HydrophobicContact CD1-CB 3.55Å; Y226-C251 HydrophobicContact CE1-CB 3.95Å; Y226-C251 HydrophobicContact CG-CB 4.37Å; Y226-L252 HydrophobicContact CE1-CB 4.25Å; Y226-K255 VanDerWaalsContact OH-CD 3.24Å; Y226-K255 WeakPolarHBondContact OH-CD 3.36Å; Y226-L261 HydrophobicContact CD1-CD2 4.44Å; Y226-L261 HydrophobicContact CD2-CD2 4.36Å; Y226-L261 HydrophobicContact CE1-CD2 3.97Å; Y226-L261 HydrophobicContact CE2-CD2 3.92Å
227	R	98	Very high	94.5	Very high	33 Å²	33	43.6 Å²	43.6	13%	0.125	21%	0.209	C	C	.	.			trans	-63.5	135.3	177.2	-69.6	-178.5	-168.2	161.8	10.5	110.6	T222 T223 L224 M231 V232 W247 I270	T222-R227 PolarHBondContact O-NE 3.18Å; T222-R227 PolarHBondContact O-NH2 3.02Å; T222-R227 WeakPolarHBondContact OG1-CD 3.48Å; T222-R227 WeakPolarHBondContact OG1-CG 3.48Å; T222-R227 PolarHBondContact OG1-NE 2.81Å; T223-R227 PolarHBondContact O-N 2.85Å; L224-R227 WeakPolarHBondContact O-CB 3.43Å; L224-R227 PolarHBondContact O-N 2.95Å; R227-M231 HydrophobicContact CB-CB 4.05Å; R227-M231 HydrophobicContact CG-CB 4.36Å; R227-V232 HydrophobicContact CB-CG2 3.89Å; R227-W247 PolarHBondContact O-NE1 2.82Å; R227-I270 VanDerWaalsContact O-CG2 3.32Å; R227-I270 WeakPolarHBondContact O-CG2 3.48Å
228	A	97.9	Very high	94.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.			trans	-76.2	160.3	171.6	0	0	0	0	0	111.4	Y226 E230 M231 V232 A244 W247	Y226-A228 PolarHBondContact O-N 3.31Å; A228-E230 VanDerWaalsContact CB-CD 3.42Å; A228-E230 HydrophobicContact CB-CG 4.38Å; A228-E230 WeakPolarHBondContact CB-OE1 3.36Å; A228-E230 VanDerWaalsContact CB-OE2 3.31Å; A228-E230 WeakPolarHBondContact CB-OE2 3.48Å; A228-E230 PolarHBondContact O-N 2.96Å; A228-M231 WeakPolarHBondContact O-CA 3.46Å; A228-M231 WeakPolarHBondContact O-CB 3.41Å; A228-M231 PolarHBondContact O-N 3.07Å; A228-V232 PolarHBondContact O-N 2.8Å; A228-A244 HydrophobicContact CB-CB 4.12Å; A228-W247 VanDerWaalsContact CA-CD1 3.43Å; A228-W247 HydrophobicContact CB-CB 3.78Å; A228-W247 HydrophobicContact CB-CD2 4.41Å; A228-W247 HydrophobicContact CB-CG 3.77Å
229	P	97.8	Very high	94.5	Very high	7 Å²	7	47 Å²	47	5%	0.045	23%	0.226	C	C	.	.	H	α-helix	trans	-54.1	-36.9	177	-31.9	40.6	0	0	0	114	M231 V232 N233 W247 I270 P297	P229-M231 PolarHBondContact O-N 3.28Å; P229-V232 PolarHBondContact O-N 3.2Å; P229-V232 VanDerWaalsContact O-N 3.08Å; P229-N233 PolarHBondContact O-N 3.28Å; P229-W247 HydrophobicContact CG-CE3 4.38Å; P229-W247 HydrophobicContact CG-CH2 3.74Å; P229-W247 HydrophobicContact CG-CZ2 4.03Å; P229-W247 HydrophobicContact CG-CZ3 3.95Å; P229-I270 HydrophobicContact CG-CG2 4.19Å; P229-I270 WeakPolarHBondContact CG-O 3.44Å; P229-P297 HydrophobicContact CG-CB 4.12Å
230	E	97.1	Very high	94.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-10	174	69.8	-85.5	-163.2	0	0	114.8	A228 L234 K238 I240 A244 P299 R302	A228-E230 VanDerWaalsContact CB-CD 3.42Å; A228-E230 HydrophobicContact CB-CG 4.38Å; A228-E230 WeakPolarHBondContact CB-OE1 3.36Å; A228-E230 VanDerWaalsContact CB-OE2 3.31Å; A228-E230 WeakPolarHBondContact CB-OE2 3.48Å; A228-E230 PolarHBondContact O-N 2.96Å; E230-L234 WeakPolarHBondContact O-CD2 3.23Å; E230-K238 HydrophobicContact CB-CB 3.95Å; E230-I240 HydrophobicContact CG-CG1 4.18Å; E230-I240 WeakPolarHBondContact O-CD1 3.45Å; E230-I240 WeakPolarHBondContact O-CG1 3.45Å; E230-A244 WeakPolarHBondContact OE1-CA 3.48Å; E230-P299 HydrophobicContact CB-CG 4.35Å; E230-P299 HydrophobicContact CG-CG 4.39Å; E230-R302 IonicContact OE1-CZ 2.8Å; E230-R302 IonicContact OE1-NH1 2.67Å; E230-R302 PolarHBondContact OE1-NH1 2.86Å; E230-R302 IonicContact OE1-NH2 3.26Å; E230-R302 IonicContact OE2-CZ 2.7Å; E230-R302 IonicContact OE2-NH1 3.11Å; E230-R302 PolarHBondContact OE2-NH1 3.46Å; E230-R302 IonicContact OE2-NH2 2.71Å; E230-R302 PolarHBondContact OE2-NH2 3.39Å
231	M	96.4	Very high	94.8	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.054	19%	0.188	C	C	.	.	H	α-helix	trans	-98.5	-6.5	169.6	-70.4	176.1	159.6	0	0	113	R176 I218 T222 R227 A228 P229 I240 A244	R176-M231 HydrophobicContact CB-CE 4.3Å; R176-M231 HydrophobicContact CG-CE 4.16Å; I218-M231 HydrophobicContact CD1-CB 4.48Å; I218-M231 HydrophobicContact CG2-CB 4Å; I218-M231 HydrophobicContact CG2-CG 4.44Å; T222-M231 HydrophobicContact CG2-CE 4.14Å; T222-M231 HydrophobicContact CG2-SD 4.3Å; R227-M231 HydrophobicContact CB-CB 4.05Å; R227-M231 HydrophobicContact CG-CB 4.36Å; A228-M231 WeakPolarHBondContact O-CA 3.46Å; A228-M231 WeakPolarHBondContact O-CB 3.41Å; A228-M231 PolarHBondContact O-N 3.07Å; P229-M231 PolarHBondContact O-N 3.28Å; M231-I240 HydrophobicContact CE-CG2 3.63Å; M231-I240 HydrophobicContact CG-CD1 4.13Å; M231-I240 HydrophobicContact CG-CG1 4.42Å; M231-I240 HydrophobicContact CG-CG2 4.06Å; M231-A244 HydrophobicContact CE-CB 3.68Å; M231-A244 HydrophobicContact SD-CB 4.07Å
232	V	96	Very high	95	Very high	34 Å²	34	36.8 Å²	36.8	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-110.2	-44.1	-179.9	177.4	0	0	0	0	111	R227 A228 P229 Q267 I270	R227-V232 HydrophobicContact CB-CG2 3.89Å; A228-V232 PolarHBondContact O-N 2.8Å; P229-V232 PolarHBondContact O-N 3.2Å; P229-V232 VanDerWaalsContact O-N 3.08Å; V232-Q267 HydrophobicContact CG1-CB 3.69Å; V232-Q267 HydrophobicContact CG1-CG 3.84Å; V232-I270 HydrophobicContact CG2-CG2 3.98Å
233	N	94.4	Very high	95.1	Very high	69 Å²	69	37.9 Å²	37.9	37%	0.369	19%	0.188	S	C	.	.			trans	-107.7	87.9	174.8	-178.4	4.2	0	0	0	110.6	P229 Y235 N236	P229-N233 PolarHBondContact O-N 3.28Å; N233-Y235 PolarHBondContact O-N 3.44Å; N233-Y235 PolarHBondContact OD1-N 3.5Å; N233-N236 PolarHBondContact O-N 3.22Å; N233-N236 PolarHBondContact O-ND2 2.96Å; N233-N236 PolarHBondContact O-OD1 3.41Å
234	L	93.6	Very high	95.3	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.7	-179.1	-53.4	-177.5	0	0	0	114	P206 Q207 V211 A214 E215 I218 E230 I240	P206-L234 HydrophobicContact CB-CB 3.97Å; P206-L234 HydrophobicContact CG-CB 4.03Å; P206-L234 HydrophobicContact CG-CD2 3.96Å; P206-L234 HydrophobicContact CG-CG 4.43Å; Q207-L234 PolarHBondContact NE2-O 3.3Å; Q207-L234 VanDerWaalsContact NE2-O 3.17Å; V211-L234 HydrophobicContact CG1-CB 3.84Å; V211-L234 HydrophobicContact CG1-CD1 3.9Å; V211-L234 HydrophobicContact CG1-CG 4.47Å; A214-L234 HydrophobicContact CB-CD1 4.24Å; E215-L234 HydrophobicContact CB-CD1 3.81Å; E215-L234 HydrophobicContact CG-CD1 4.39Å; I218-L234 HydrophobicContact CD1-CD1 4.27Å; I218-L234 HydrophobicContact CD1-CD2 3.58Å; E230-L234 WeakPolarHBondContact O-CD2 3.23Å; L234-I240 HydrophobicContact CD2-CD1 4.2Å
235	Y	91.7	Very high	95.5	Very high	170 Å²	170	34 Å²	34	67%	0.667	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	1.3	178.9	-56.2	-84.9	0	0	0	113	V211 N233 N237	V211-Y235 HydrophobicContact CG1-CE1 4.19Å; V211-Y235 HydrophobicContact CG1-CE2 4.21Å; V211-Y235 HydrophobicContact CG2-CE1 4.18Å; N233-Y235 PolarHBondContact O-N 3.44Å; N233-Y235 PolarHBondContact OD1-N 3.5Å; Y235-N237 PolarHBondContact O-N 2.91Å
236	N	86.1	Confident	95.5	Very high	49 Å²	49	33.4 Å²	33.4	26%	0.262	16%	0.162	S	C	.	.	S	Bend	trans	-80	4.2	179.2	71.9	3.5	0	0	0	114.3	N233 K238	N233-N236 PolarHBondContact O-N 3.22Å; N233-N236 PolarHBondContact O-ND2 2.96Å; N233-N236 PolarHBondContact O-OD1 3.41Å; N236-K238 HydrophobicContact CB-CG 4.44Å; N236-K238 PolarHBondContact O-N 2.86Å; N236-K238 VanDerWaalsContact O-N 3.15Å; N236-K238 VanDerWaalsContact OD1-CB 3.29Å; N236-K238 WeakPolarHBondContact OD1-CB 3.49Å; N236-K238 WeakPolarHBondContact OD1-CG 3.35Å; N236-K238 PolarHBondContact OD1-N 2.99Å
237	N	87	Confident	95.6	Very high	113 Å²	113	33 Å²	33	60%	0.604	16%	0.16	S	C	*	.			trans	54.6	23.8	-176.5	-63.1	-13.2	0	0	0	115.2	Q207 Y235	Q207-N237 WeakPolarHBondContact CG-OD1 3.4Å; Q207-N237 PolarHBondContact NE2-OD1 3.11Å; Y235-N237 PolarHBondContact O-N 2.91Å
238	K	93.3	Very high	95.6	Very high	46 Å²	46	31.5 Å²	31.5	20%	0.2	16%	0.156	C	C	.	.			trans	-89.7	143.6	172.4	-58.1	-68.3	174.6	154.5	0	110.7	E230 N236 D298 P299 D300	E230-K238 HydrophobicContact CB-CB 3.95Å; N236-K238 HydrophobicContact CB-CG 4.44Å; N236-K238 PolarHBondContact O-N 2.86Å; N236-K238 VanDerWaalsContact O-N 3.15Å; N236-K238 VanDerWaalsContact OD1-CB 3.29Å; N236-K238 WeakPolarHBondContact OD1-CB 3.49Å; N236-K238 WeakPolarHBondContact OD1-CG 3.35Å; N236-K238 PolarHBondContact OD1-N 2.99Å; K238-D298 IonicContact NZ-OD1 2.93Å; K238-D298 PolarHBondContact NZ-OD1 2.83Å; K238-D298 IonicContact NZ-OD2 3.81Å; K238-P299 HydrophobicContact CB-CG 3.96Å; K238-P299 HydrophobicContact CD-CG 3.92Å; K238-P299 HydrophobicContact CG-CG 3.88Å; K238-D300 IonicContact NZ-OD2 2.72Å; K238-D300 PolarHBondContact NZ-OD2 3.28Å
239	I	94.4	Very high	95.6	Very high	79 Å²	79	31.5 Å²	31.5	41%	0.405	16%	0.156	S	C	.	.			trans	-85.7	136.2	173	-57.3	178.6	0	0	0	108.5	F203 Q204 N205 T241	F203-I239 HydrophobicContact CB-CG2 3.89Å; Q204-I239 WeakPolarHBondContact O-CG2 3.42Å; N205-I239 HydrophobicContact CB-CG1 4.2Å; N205-I239 HydrophobicContact CB-CG2 4.46Å; I239-T241 HydrophobicContact CB-CG2 4.23Å; I239-T241 HydrophobicContact CG2-CG2 3.87Å; I239-T241 PolarHBondContact O-N 3.2Å
240	I	96.2	Very high	95.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-80	112.4	176.8	-58.7	170.6	0	0	0	108.1	F203 Q204 P206 I218 E230 M231 L234 A244	F203-I240 CarbonylContact C-O 3.28Å; F203-I240 VanDerWaalsContact CA-O 3.25Å; F203-I240 WeakPolarHBondContact CA-O 3.18Å; F203-I240 WeakPolarHBondContact CB-O 3.17Å; Q204-I240 HydrophobicContact CB-CB 4.29Å; Q204-I240 HydrophobicContact CB-CD1 4.44Å; Q204-I240 PolarHBondContact N-O 2.86Å; Q204-I240 PolarHBondContact O-N 2.85Å; P206-I240 HydrophobicContact CG-CD1 4.48Å; I218-I240 HydrophobicContact CD1-CD1 3.44Å; I218-I240 VanDerWaalsContact CD1-CD1 3.44Å; I218-I240 HydrophobicContact CG1-CD1 4.2Å; E230-I240 HydrophobicContact CG-CG1 4.18Å; E230-I240 WeakPolarHBondContact O-CD1 3.45Å; E230-I240 WeakPolarHBondContact O-CG1 3.45Å; M231-I240 HydrophobicContact CE-CG2 3.63Å; M231-I240 HydrophobicContact CG-CD1 4.13Å; M231-I240 HydrophobicContact CG-CG1 4.42Å; M231-I240 HydrophobicContact CG-CG2 4.06Å; L234-I240 HydrophobicContact CD2-CD1 4.2Å; I240-A244 HydrophobicContact CG2-CB 4.34Å
241	T	96.7	Very high	95.8	Very high	29 Å²	29	31.2 Å²	31.2	18%	0.178	15%	0.154	C	C	.	.			trans	-129.7	-171.8	-173.2	66.1	0	0	0	0	111.3	F203 I239 K243 A244	F203-T241 HydrophobicContact CB-CG2 4.21Å; F203-T241 HydrophobicContact CD1-CG2 4.42Å; F203-T241 HydrophobicContact CD2-CG2 3.74Å; F203-T241 HydrophobicContact CE2-CG2 4.18Å; F203-T241 HydrophobicContact CG-CG2 3.88Å; I239-T241 HydrophobicContact CB-CG2 4.23Å; I239-T241 HydrophobicContact CG2-CG2 3.87Å; I239-T241 PolarHBondContact O-N 3.2Å; T241-K243 PolarHBondContact O-N 3.25Å; T241-K243 PolarHBondContact OG1-N 3.26Å; T241-A244 WeakPolarHBondContact O-CB 3.25Å; T241-A244 PolarHBondContact O-N 3.36Å
242	T	97.7	Very high	95.9	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.018	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-15.2	171.2	66.2	0	0	0	0	114	H167 P172 V174 F203 A244 D245	H167-T242 HydrophobicContact CB-CG2 4.35Å; H167-T242 PolarHBondContact CE1-O 3.3Å; P172-T242 HydrophobicContact CB-CG2 3.89Å; V174-T242 HydrophobicContact CG2-CG2 4.09Å; F203-T242 HydrophobicContact CE1-CG2 3.97Å; F203-T242 HydrophobicContact CZ-CG2 4.08Å; T242-A244 VanDerWaalsContact C-N 3.25Å; T242-A244 PolarHBondContact O-N 3.49Å; T242-D245 PolarHBondContact O-N 2.64Å
243	K	98.2	Very high	96	Very high	34 Å²	34	29 Å²	29	15%	0.148	14%	0.141	C	C	.	.	H	α-helix	trans	-66	-24.4	173.2	-65.2	-69.9	-167.9	81.6	0	112.8	T241 V246 W247 P299 D300 R302 P303	T241-K243 PolarHBondContact O-N 3.25Å; T241-K243 PolarHBondContact OG1-N 3.26Å; K243-V246 PolarHBondContact O-N 3.39Å; K243-W247 PolarHBondContact O-N 2.85Å; K243-P299 HydrophobicContact CB-CB 3.95Å; K243-P299 WeakPolarHBondContact CD-O 3.41Å; K243-P299 VanDerWaalsContact CG-O 3.27Å; K243-P299 WeakPolarHBondContact CG-O 3.35Å; K243-P299 PolarHBondContact NZ-O 2.69Å; K243-D300 PolarHBondContact NZ-O 2.71Å; K243-R302 VanDerWaalsContact CE-O 3.23Å; K243-R302 WeakPolarHBondContact CE-O 3.49Å; K243-R302 PolarHBondContact NZ-O 3.09Å; K243-R302 WeakPolarHBondContact O-CD 3.37Å; K243-R302 PolarHBondContact O-NH1 3.41Å; K243-P303 VanDerWaalsContact CD-O 3.23Å; K243-P303 WeakPolarHBondContact CD-O 3.31Å
244	A	98.3	Very high	96.2	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.025	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-40.5	175.4	0	0	0	0	0	111.8	A228 E230 M231 I240 T241 T242 V246 W247 A248	A228-A244 HydrophobicContact CB-CB 4.12Å; E230-A244 WeakPolarHBondContact OE1-CA 3.48Å; M231-A244 HydrophobicContact CE-CB 3.68Å; M231-A244 HydrophobicContact SD-CB 4.07Å; I240-A244 HydrophobicContact CG2-CB 4.34Å; T241-A244 WeakPolarHBondContact O-CB 3.25Å; T241-A244 PolarHBondContact O-N 3.36Å; T242-A244 VanDerWaalsContact C-N 3.25Å; T242-A244 PolarHBondContact O-N 3.49Å; A244-V246 VanDerWaalsContact C-N 3.27Å; A244-V246 PolarHBondContact O-N 3.36Å; A244-W247 WeakPolarHBondContact O-CB 3.35Å; A244-W247 PolarHBondContact O-N 3.36Å; A244-A248 PolarHBondContact O-N 3.3Å
245	D	98.7	Very high	96.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-34.4	172.8	-72.7	-18.5	0	0	0	112	H167 V174 H175 R176 L178 T242 W247 A248 L249	H167-D245 IonicContact CD2-OD2 2.79Å; H167-D245 IonicContact CE1-OD2 2.96Å; H167-D245 WeakPolarHBondContact NE2-CB 3.42Å; H167-D245 IonicContact NE2-OD2 3.73Å; H167-D245 PolarHBondContact NE2-OD2 2.73Å; V174-D245 WeakPolarHBondContact CA-OD2 3.49Å; V174-D245 WeakPolarHBondContact CG1-OD2 3.36Å; H175-D245 PolarHBondContact N-OD1 3.49Å; H175-D245 PolarHBondContact N-OD2 3.15Å; R176-D245 PolarHBondContact N-OD1 2.95Å; L178-D245 HydrophobicContact CD1-CB 3.66Å; T242-D245 PolarHBondContact O-N 2.64Å; D245-W247 VanDerWaalsContact C-N 3.34Å; D245-A248 PolarHBondContact O-N 3.48Å; D245-L249 WeakPolarHBondContact O-CG 3.3Å; D245-L249 PolarHBondContact O-N 3.05Å
246	V	98.8	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67	-35.7	177.1	177.7	0	0	0	0	111.8	K243 A244 L249 G250 M294 R302 P303 V308	K243-V246 PolarHBondContact O-N 3.39Å; A244-V246 VanDerWaalsContact C-N 3.27Å; A244-V246 PolarHBondContact O-N 3.36Å; V246-L249 PolarHBondContact O-N 3.05Å; V246-G250 PolarHBondContact O-N 2.89Å; V246-G250 VanDerWaalsContact O-N 3.15Å; V246-M294 HydrophobicContact CG1-CB 4.38Å; V246-M294 HydrophobicContact CG1-CG 4.04Å; V246-R302 HydrophobicContact CG1-CG 4.16Å; V246-P303 HydrophobicContact CG1-CG 4.11Å; V246-V308 HydrophobicContact CG1-CG2 3.91Å
247	W	98.8	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.1	-44.1	170.8	175.7	-85.1	0	0	0	111.6	R227 A228 P229 K243 A244 D245 L249 G250 C251 F263 I270 L295 P297	R227-W247 PolarHBondContact O-NE1 2.82Å; A228-W247 VanDerWaalsContact CA-CD1 3.43Å; A228-W247 HydrophobicContact CB-CB 3.78Å; A228-W247 HydrophobicContact CB-CD2 4.41Å; A228-W247 HydrophobicContact CB-CG 3.77Å; P229-W247 HydrophobicContact CG-CE3 4.38Å; P229-W247 HydrophobicContact CG-CH2 3.74Å; P229-W247 HydrophobicContact CG-CZ2 4.03Å; P229-W247 HydrophobicContact CG-CZ3 3.95Å; K243-W247 PolarHBondContact O-N 2.85Å; A244-W247 WeakPolarHBondContact O-CB 3.35Å; A244-W247 PolarHBondContact O-N 3.36Å; D245-W247 VanDerWaalsContact C-N 3.34Å; W247-L249 VanDerWaalsContact C-N 3.28Å; W247-L249 PolarHBondContact O-N 3.3Å; W247-G250 WeakPolarHBondContact O-CA 3.43Å; W247-G250 PolarHBondContact O-N 3.04Å; W247-C251 PolarHBondContact O-N 3.45Å; W247-F263 AromaticContact CE2-CE2 3.76Å; W247-F263 HydrophobicContact CH2-CE1 4.45Å; W247-F263 AromaticContact CH2-CE2 3.94Å; W247-F263 HydrophobicContact CH2-CE2 3.94Å; W247-F263 AromaticContact CH2-CZ 3.61Å; W247-F263 HydrophobicContact CH2-CZ 3.61Å; W247-F263 HydrophobicContact CZ2-CD2 4.05Å; W247-F263 HydrophobicContact CZ2-CE1 4.34Å; W247-F263 AromaticContact CZ2-CE2 3.21Å; W247-F263 HydrophobicContact CZ2-CE2 3.21Å; W247-F263 AromaticContact CZ2-CZ 3.39Å; W247-F263 HydrophobicContact CZ2-CZ 3.39Å; W247-I270 WeakPolarHBondContact CH2-O 3.46Å; W247-I270 HydrophobicContact CZ2-CB 4.47Å; W247-I270 HydrophobicContact CZ2-CG2 3.88Å; W247-L295 HydrophobicContact CD2-CD2 3.8Å; W247-L295 HydrophobicContact CE3-CB 4.48Å; W247-L295 HydrophobicContact CE3-CD2 3.97Å; W247-L295 HydrophobicContact CG-CD2 4.28Å; W247-L295 HydrophobicContact CH2-CD2 4.5Å; W247-L295 HydrophobicContact CZ2-CD2 4.33Å; W247-L295 HydrophobicContact CZ3-CB 4.27Å; W247-L295 HydrophobicContact CZ3-CD2 4.31Å; W247-P297 HydrophobicContact CZ3-CG 4.39Å
248	A	98.8	Very high	97.8	Very high	3 Å²	3	13.7 Å²	13.7	3%	0.025	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-35.7	175.9	0	0	0	0	0	112.2	L178 Y226 A244 D245 G250 C251 L252	L178-A248 HydrophobicContact CB-CB 3.95Å; Y226-A248 HydrophobicContact CD1-CB 4.45Å; A244-A248 PolarHBondContact O-N 3.3Å; D245-A248 PolarHBondContact O-N 3.48Å; A248-G250 VanDerWaalsContact C-N 3.33Å; A248-G250 PolarHBondContact O-N 3.31Å; A248-C251 PolarHBondContact O-N 3.01Å; A248-L252 VanDerWaalsContact O-CB 3.27Å; A248-L252 WeakPolarHBondContact O-CB 3.45Å; A248-L252 PolarHBondContact O-N 3.4Å
249	L	98.8	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-35.9	169.3	-75.8	175.4	0	0	0	112.8	F156 T159 V163 L178 D245 V246 W247 L252 L253 M294 I305	F156-L249 HydrophobicContact CE2-CB 4.09Å; F156-L249 HydrophobicContact CE2-CD2 4.07Å; F156-L249 HydrophobicContact CZ-CB 4.4Å; T159-L249 HydrophobicContact CG2-CD2 3.75Å; V163-L249 HydrophobicContact CB-CD1 4.4Å; V163-L249 HydrophobicContact CG1-CD1 4.17Å; V163-L249 HydrophobicContact CG2-CD1 4.4Å; V163-L249 HydrophobicContact CG2-CD2 4.35Å; L178-L249 HydrophobicContact CD1-CD2 4.15Å; L178-L249 HydrophobicContact CD1-CG 3.96Å; D245-L249 WeakPolarHBondContact O-CG 3.3Å; D245-L249 PolarHBondContact O-N 3.05Å; V246-L249 PolarHBondContact O-N 3.05Å; W247-L249 VanDerWaalsContact C-N 3.28Å; W247-L249 PolarHBondContact O-N 3.3Å; L249-L252 PolarHBondContact O-N 3.37Å; L249-L253 WeakPolarHBondContact O-CB 3.43Å; L249-L253 PolarHBondContact O-N 3.42Å; L249-M294 HydrophobicContact CB-SD 3.73Å; L249-I305 HydrophobicContact CD1-CD1 3.59Å
250	G	98.7	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-47.2	171.2	0	0	0	0	0	112.7	V246 W247 A248 L252 Y254	V246-G250 PolarHBondContact O-N 2.89Å; V246-G250 VanDerWaalsContact O-N 3.15Å; W247-G250 WeakPolarHBondContact O-CA 3.43Å; W247-G250 PolarHBondContact O-N 3.04Å; A248-G250 VanDerWaalsContact C-N 3.33Å; A248-G250 PolarHBondContact O-N 3.31Å; G250-L252 VanDerWaalsContact C-N 3.35Å; G250-Y254 WeakPolarHBondContact O-CB 3.23Å; G250-Y254 PolarHBondContact O-N 2.9Å
251	C	98.8	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-39.8	173.3	-73	0	0	0	0	112.4	S225 Y226 W247 A248 K255 L261 P262	S225-C251 PolarHBondContact O-SG 3.19Å; Y226-C251 HydrophobicContact CD1-CB 3.55Å; Y226-C251 HydrophobicContact CE1-CB 3.95Å; Y226-C251 HydrophobicContact CG-CB 4.37Å; W247-C251 PolarHBondContact O-N 3.45Å; A248-C251 PolarHBondContact O-N 3.01Å; C251-K255 WeakPolarHBondContact O-CB 3.11Å; C251-K255 PolarHBondContact O-N 3.45Å; C251-L261 HydrophobicContact CB-CD2 4.26Å; C251-P262 HydrophobicContact CB-CG 4.27Å
252	L	98.7	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-49.3	177.8	-172.9	156	0	0	0	110.9	F156 T159 V180 I183 Y226 A248 L249 G250 Y254 K255 L256	F156-L252 HydrophobicContact CD2-CD2 4.32Å; T159-L252 HydrophobicContact CG2-CD1 4.42Å; V180-L252 HydrophobicContact CG1-CD2 4.44Å; V180-L252 HydrophobicContact CG1-CG 3.93Å; I183-L252 HydrophobicContact CD1-CD1 4.45Å; I183-L252 HydrophobicContact CG1-CD1 4.21Å; Y226-L252 HydrophobicContact CE1-CB 4.25Å; A248-L252 VanDerWaalsContact O-CB 3.27Å; A248-L252 WeakPolarHBondContact O-CB 3.45Å; A248-L252 PolarHBondContact O-N 3.4Å; L249-L252 PolarHBondContact O-N 3.37Å; G250-L252 VanDerWaalsContact C-N 3.35Å; L252-Y254 PolarHBondContact O-N 3.33Å; L252-K255 PolarHBondContact O-N 3.22Å; L252-K255 VanDerWaalsContact O-N 3.15Å; L252-L256 HydrophobicContact CD2-CD1 3.67Å; L252-L256 HydrophobicContact CD2-CG 4.06Å; L252-L256 WeakPolarHBondContact O-CG 3.37Å; L252-L256 PolarHBondContact O-N 3.37Å
253	L	98.8	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-43.7	177.4	-178	57.4	0	0	0	111.6	V152 F156 L249 K255 L256 C257 L287 L290 I291 M294	V152-L253 HydrophobicContact CG1-CD1 3.46Å; V152-L253 VanDerWaalsContact CG1-CD1 3.46Å; F156-L253 HydrophobicContact CB-CD1 4.12Å; F156-L253 HydrophobicContact CD1-CD1 4.3Å; F156-L253 HydrophobicContact CD1-CD2 4.24Å; F156-L253 HydrophobicContact CD2-CB 3.93Å; F156-L253 HydrophobicContact CD2-CD1 4.03Å; F156-L253 HydrophobicContact CD2-CG 4.37Å; F156-L253 HydrophobicContact CE1-CD2 4.08Å; F156-L253 HydrophobicContact CE2-CB 3.84Å; F156-L253 HydrophobicContact CE2-CD2 4.35Å; F156-L253 HydrophobicContact CE2-CG 4.49Å; F156-L253 HydrophobicContact CG-CD1 3.87Å; F156-L253 HydrophobicContact CG-CD2 4.47Å; F156-L253 HydrophobicContact CZ-CB 4.42Å; F156-L253 HydrophobicContact CZ-CD2 4.16Å; L249-L253 WeakPolarHBondContact O-CB 3.43Å; L249-L253 PolarHBondContact O-N 3.42Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.38Å; L253-L256 PolarHBondContact O-N 3.36Å; L253-C257 PolarHBondContact O-N 3.09Å; L253-C257 PolarHBondContact O-SG 3.23Å; L253-C257 VanDerWaalsContact O-SG 3.33Å; L253-L287 HydrophobicContact CD1-CD1 4.32Å; L253-L287 HydrophobicContact CD2-CD1 4.34Å; L253-L290 HydrophobicContact CD2-CD2 4.22Å; L253-L290 HydrophobicContact CD2-CG 4.11Å; L253-I291 HydrophobicContact CB-CG1 4.23Å; L253-I291 HydrophobicContact CD2-CG1 3.64Å; L253-I291 HydrophobicContact CG-CD1 4.19Å; L253-I291 HydrophobicContact CG-CG1 3.69Å; L253-M294 HydrophobicContact CB-CE 4.07Å; L253-M294 HydrophobicContact CD2-CE 3.54Å; L253-M294 HydrophobicContact CG-CE 4.45Å
254	Y	98.6	Very high	97.9	Very high	16 Å²	16	15 Å²	15	6%	0.063	9%	0.086	C	C	.	.	H	α-helix	trans	-59.8	-41.6	173.9	-175.6	-78.9	0	0	0	111.6	G250 L252 C257 F258 T260 P262 F275 T276 I277 I291	G250-Y254 WeakPolarHBondContact O-CB 3.23Å; G250-Y254 PolarHBondContact O-N 2.9Å; L252-Y254 PolarHBondContact O-N 3.33Å; Y254-C257 PolarHBondContact O-N 3.46Å; Y254-F258 AromaticContact CD1-CD2 3.91Å; Y254-F258 HydrophobicContact CD1-CD2 3.91Å; Y254-F258 AromaticContact CD2-CD2 3.56Å; Y254-F258 HydrophobicContact CD2-CD2 3.56Å; Y254-F258 AromaticContact CD2-CE2 3.71Å; Y254-F258 HydrophobicContact CD2-CE2 3.71Å; Y254-F258 HydrophobicContact CE1-CB 4.14Å; Y254-F258 AromaticContact CE1-CD2 3.85Å; Y254-F258 HydrophobicContact CE1-CD2 3.85Å; Y254-F258 HydrophobicContact CE1-CG 4.41Å; Y254-F258 AromaticContact CE2-CD2 3.49Å; Y254-F258 HydrophobicContact CE2-CD2 3.49Å; Y254-F258 VanDerWaalsContact CE2-CD2 3.49Å; Y254-F258 AromaticContact CE2-CE2 3.74Å; Y254-F258 HydrophobicContact CE2-CE2 3.74Å; Y254-F258 AromaticContact CG-CD2 3.76Å; Y254-F258 HydrophobicContact CG-CD2 3.76Å; Y254-F258 HydrophobicContact CG-CE2 4.28Å; Y254-F258 AromaticContact CZ-CD2 3.64Å; Y254-F258 VanDerWaalsContact O-CD2 3.31Å; Y254-F258 WeakPolarHBondContact O-CD2 3.43Å; Y254-F258 PolarHBondContact O-N 3.38Å; Y254-T260 VanDerWaalsContact CD1-O 3.23Å; Y254-T260 WeakPolarHBondContact CD1-O 3.27Å; Y254-T260 HydrophobicContact CE1-CG2 4.11Å; Y254-T260 WeakPolarHBondContact CE1-O 3.23Å; Y254-P262 HydrophobicContact CD1-CB 3.82Å; Y254-P262 VanDerWaalsContact CD1-CD 3.49Å; Y254-P262 HydrophobicContact CD1-CG 4.08Å; Y254-P262 HydrophobicContact CD2-CB 3.98Å; Y254-P262 HydrophobicContact CE1-CB 4.01Å; Y254-P262 HydrophobicContact CE2-CB 4.16Å; Y254-P262 HydrophobicContact CG-CB 3.81Å; Y254-P262 HydrophobicContact CG-CG 4.08Å; Y254-F275 HydrophobicContact CD2-CD2 4.23Å; Y254-F275 HydrophobicContact CE2-CD2 4.06Å; Y254-T276 PolarHBondContact OH-O 3.31Å; Y254-I277 HydrophobicContact CD2-CD1 4.35Å; Y254-I277 HydrophobicContact CE2-CD1 4.23Å; Y254-I291 HydrophobicContact CD2-CG2 4.16Å
255	K	98.4	Very high	97.6	Very high	28 Å²	28	21.3 Å²	21.3	12%	0.122	12%	0.115	C	C	.	.	H	α-helix	trans	-68.7	-35.2	177.4	-168.5	-180	178.7	179.9	0	112.9	M139 V180 E181 Y226 C251 L252 L253 C257 F259 T260 L261	M139-K255 HydrophobicContact CE-CG 4.11Å; M139-K255 WeakPolarHBondContact CE-O 3.32Å; V180-K255 HydrophobicContact CG1-CD 4.25Å; V180-K255 HydrophobicContact CG1-CG 4.49Å; V180-K255 HydrophobicContact CG2-CD 3.62Å; V180-K255 VanDerWaalsContact CG2-CE 3.48Å; V180-K255 HydrophobicContact CG2-CG 4.44Å; E181-K255 IonicContact OE1-NZ 3.75Å; E181-K255 PolarHBondContact OE1-NZ 2.78Å; E181-K255 IonicContact OE2-NZ 3.28Å; Y226-K255 VanDerWaalsContact OH-CD 3.24Å; Y226-K255 WeakPolarHBondContact OH-CD 3.36Å; C251-K255 WeakPolarHBondContact O-CB 3.11Å; C251-K255 PolarHBondContact O-N 3.45Å; L252-K255 PolarHBondContact O-N 3.22Å; L252-K255 VanDerWaalsContact O-N 3.15Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.38Å; K255-C257 VanDerWaalsContact C-N 3.34Å; K255-F259 WeakPolarHBondContact O-CA 3.25Å; K255-F259 PolarHBondContact O-N 3.27Å; K255-T260 WeakPolarHBondContact CA-O 3.32Å; K255-L261 HydrophobicContact CB-CD2 4.42Å; K255-L261 HydrophobicContact CD-CD1 4.33Å; K255-L261 HydrophobicContact CD-CD2 4.09Å; K255-L261 HydrophobicContact CD-CG 4.01Å; K255-L261 HydrophobicContact CG-CG 4.46Å
256	L	98.3	Very high	97.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-40.2	170.8	-68.8	177.8	0	0	0	111.8	V135 F147 V152 I155 V180 L252 L253 F259	V135-L256 HydrophobicContact CG1-CD2 3.75Å; F147-L256 HydrophobicContact CD2-CD2 4.49Å; F147-L256 HydrophobicContact CE2-CD2 4.1Å; V152-L256 HydrophobicContact CG1-CB 3.99Å; V152-L256 HydrophobicContact CG1-CD1 4.38Å; V152-L256 HydrophobicContact CG2-CB 4.32Å; I155-L256 HydrophobicContact CB-CD1 3.98Å; I155-L256 HydrophobicContact CD1-CD2 4.05Å; I155-L256 HydrophobicContact CG2-CD1 3.67Å; I155-L256 HydrophobicContact CG2-CD2 4.12Å; V180-L256 HydrophobicContact CG1-CD2 3.86Å; V180-L256 HydrophobicContact CG1-CG 4.21Å; L252-L256 HydrophobicContact CD2-CD1 3.67Å; L252-L256 HydrophobicContact CD2-CG 4.06Å; L252-L256 WeakPolarHBondContact O-CG 3.37Å; L252-L256 PolarHBondContact O-N 3.37Å; L253-L256 PolarHBondContact O-N 3.36Å; L256-F259 WeakPolarHBondContact O-CE1 3.46Å
257	C	98	Very high	97.4	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-69.4	-52	177.6	-69.7	0	0	0	0	112.6	L253 Y254 K255 Y283 L287	L253-C257 PolarHBondContact O-N 3.09Å; L253-C257 PolarHBondContact O-SG 3.23Å; L253-C257 VanDerWaalsContact O-SG 3.33Å; Y254-C257 PolarHBondContact O-N 3.46Å; K255-C257 VanDerWaalsContact C-N 3.34Å; C257-Y283 HydrophobicContact CB-CD2 3.86Å; C257-Y283 HydrophobicContact CB-CE2 3.54Å; C257-Y283 WeakPolarHBondContact O-CE2 3.44Å; C257-Y283 VanDerWaalsContact O-CZ 3.28Å; C257-Y283 PolarHBondContact O-OH 3.37Å; C257-L287 VanDerWaalsContact SG-CD2 3.58Å
258	F	96.9	Very high	97.3	Very high	37 Å²	37	33.9 Å²	33.9	16%	0.162	19%	0.187	C	C	.	.	H	α-helix	trans	-113.3	-0.3	-162.8	-53.1	-62.5	0	0	0	114.6	Y254 T260 I277 P278 S281 Y283 I291	Y254-F258 AromaticContact CD1-CD2 3.91Å; Y254-F258 HydrophobicContact CD1-CD2 3.91Å; Y254-F258 AromaticContact CD2-CD2 3.56Å; Y254-F258 HydrophobicContact CD2-CD2 3.56Å; Y254-F258 AromaticContact CD2-CE2 3.71Å; Y254-F258 HydrophobicContact CD2-CE2 3.71Å; Y254-F258 HydrophobicContact CE1-CB 4.14Å; Y254-F258 AromaticContact CE1-CD2 3.85Å; Y254-F258 HydrophobicContact CE1-CD2 3.85Å; Y254-F258 HydrophobicContact CE1-CG 4.41Å; Y254-F258 AromaticContact CE2-CD2 3.49Å; Y254-F258 HydrophobicContact CE2-CD2 3.49Å; Y254-F258 VanDerWaalsContact CE2-CD2 3.49Å; Y254-F258 AromaticContact CE2-CE2 3.74Å; Y254-F258 HydrophobicContact CE2-CE2 3.74Å; Y254-F258 AromaticContact CG-CD2 3.76Å; Y254-F258 HydrophobicContact CG-CD2 3.76Å; Y254-F258 HydrophobicContact CG-CE2 4.28Å; Y254-F258 AromaticContact CZ-CD2 3.64Å; Y254-F258 VanDerWaalsContact O-CD2 3.31Å; Y254-F258 WeakPolarHBondContact O-CD2 3.43Å; Y254-F258 PolarHBondContact O-N 3.38Å; F258-T260 HydrophobicContact CB-CG2 4.26Å; F258-T260 PolarHBondContact O-N 3.02Å; F258-I277 HydrophobicContact CE2-CD1 3.94Å; F258-I277 HydrophobicContact CZ-CD1 4.19Å; F258-I277 HydrophobicContact CZ-CG2 4.12Å; F258-P278 HydrophobicContact CD1-CG 3.86Å; F258-P278 HydrophobicContact CE1-CG 4.06Å; F258-P278 HydrophobicContact CG-CG 4.28Å; F258-S281 WeakPolarHBondContact CE1-OG 3.46Å; F258-Y283 HydrophobicContact CD1-CE2 4.32Å; F258-Y283 AromaticContact CE1-CD2 3.92Å; F258-Y283 HydrophobicContact CE1-CD2 3.92Å; F258-Y283 HydrophobicContact CE1-CE2 4.02Å; F258-Y283 HydrophobicContact CZ-CD2 4.23Å; F258-I291 HydrophobicContact CE2-CD1 4.2Å
259	F	96.6	Very high	97.1	Very high	50 Å²	50	34.5 Å²	34.5	22%	0.219	19%	0.192	C	C	.	.	S	Bend	trans	56.6	17.9	-179.8	-69.9	16.7	0	0	0	114.1	M139 R142 L143 F147 K255 L256	M139-F259 HydrophobicContact CB-CD2 4.32Å; M139-F259 HydrophobicContact CB-CE1 4.34Å; M139-F259 HydrophobicContact CB-CE2 3.9Å; M139-F259 HydrophobicContact CB-CZ 3.9Å; M139-F259 HydrophobicContact CE-CB 4.07Å; M139-F259 HydrophobicContact CE-CD1 3.52Å; M139-F259 HydrophobicContact CE-CD2 4.38Å; M139-F259 HydrophobicContact CE-CE1 4.02Å; M139-F259 HydrophobicContact CE-CG 3.73Å; M139-F259 HydrophobicContact CG-CD1 4.38Å; M139-F259 HydrophobicContact CG-CE1 3.93Å; M139-F259 HydrophobicContact CG-CE2 4.38Å; M139-F259 HydrophobicContact CG-CZ 3.92Å; M139-F259 VanDerWaalsContact O-CE2 3.27Å; M139-F259 WeakPolarHBondContact O-CE2 3.46Å; R142-F259 HydrophobicContact CB-CE2 4.11Å; R142-F259 HydrophobicContact CB-CZ 4.01Å; L143-F259 HydrophobicContact CD2-CD2 4.15Å; F147-F259 AromaticContact CD2-CE1 3.65Å; F147-F259 HydrophobicContact CD2-CE1 3.65Å; F147-F259 HydrophobicContact CD2-CZ 4.05Å; F147-F259 AromaticContact CE2-CE1 3.89Å; F147-F259 HydrophobicContact CE2-CE1 3.89Å; F147-F259 HydrophobicContact CE2-CZ 4.12Å; F147-F259 HydrophobicContact CG-CE1 4.38Å; F147-F259 HydrophobicContact CG-CZ 4.48Å; K255-F259 WeakPolarHBondContact O-CA 3.25Å; K255-F259 PolarHBondContact O-N 3.27Å; L256-F259 WeakPolarHBondContact O-CE1 3.46Å
260	T	96.1	Very high	97.1	Very high	80 Å²	80	34.5 Å²	34.5	49%	0.491	19%	0.192	S	C	.	.	S	Bend	trans	-141	166.6	174.5	-170.8	0	0	0	0	109.2	Y254 K255 F258	Y254-T260 VanDerWaalsContact CD1-O 3.23Å; Y254-T260 WeakPolarHBondContact CD1-O 3.27Å; Y254-T260 HydrophobicContact CE1-CG2 4.11Å; Y254-T260 WeakPolarHBondContact CE1-O 3.23Å; K255-T260 WeakPolarHBondContact CA-O 3.32Å; F258-T260 HydrophobicContact CB-CG2 4.26Å; F258-T260 PolarHBondContact O-N 3.02Å
261	L	97.3	Very high	96.9	Very high	31 Å²	31	36.4 Å²	36.4	16%	0.162	21%	0.205	C	C	.	.			trans	-96.8	144.8	-175.8	-77.5	146.1	0	0	0	111.3	Y226 C251 K255 F263 G264	Y226-L261 HydrophobicContact CD1-CD2 4.44Å; Y226-L261 HydrophobicContact CD2-CD2 4.36Å; Y226-L261 HydrophobicContact CE1-CD2 3.97Å; Y226-L261 HydrophobicContact CE2-CD2 3.92Å; C251-L261 HydrophobicContact CB-CD2 4.26Å; K255-L261 HydrophobicContact CB-CD2 4.42Å; K255-L261 HydrophobicContact CD-CD1 4.33Å; K255-L261 HydrophobicContact CD-CD2 4.09Å; K255-L261 HydrophobicContact CD-CG 4.01Å; K255-L261 HydrophobicContact CG-CG 4.46Å; L261-F263 VanDerWaalsContact C-N 3.27Å; L261-F263 PolarHBondContact O-N 3.07Å; L261-G264 PolarHBondContact O-N 3.49Å
262	P	97.3	Very high	96.7	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.091	23%	0.233	C	C	.	.	S	Bend	trans	-65.9	-26.6	-170	22.2	-29.7	0	0	0	114.1	C251 Y254 F275 L295	C251-P262 HydrophobicContact CB-CG 4.27Å; Y254-P262 HydrophobicContact CD1-CB 3.82Å; Y254-P262 VanDerWaalsContact CD1-CD 3.49Å; Y254-P262 HydrophobicContact CD1-CG 4.08Å; Y254-P262 HydrophobicContact CD2-CB 3.98Å; Y254-P262 HydrophobicContact CE1-CB 4.01Å; Y254-P262 HydrophobicContact CE2-CB 4.16Å; Y254-P262 HydrophobicContact CG-CB 3.81Å; Y254-P262 HydrophobicContact CG-CG 4.08Å; P262-F275 HydrophobicContact CB-CB 3.76Å; P262-F275 HydrophobicContact CB-CD2 4.37Å; P262-F275 HydrophobicContact CB-CG 4.14Å; P262-L295 HydrophobicContact CB-CD1 4.13Å; P262-L295 HydrophobicContact CG-CD1 4.03Å
263	F	97.1	Very high	96.5	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.053	24%	0.241	C	C	.	.	S	Bend	trans	-118.3	-2.5	-176.9	-46.4	-69	0	0	0	113.9	W247 L261 E265 S266 A269 I270 F275 L295	W247-F263 AromaticContact CE2-CE2 3.76Å; W247-F263 HydrophobicContact CH2-CE1 4.45Å; W247-F263 AromaticContact CH2-CE2 3.94Å; W247-F263 HydrophobicContact CH2-CE2 3.94Å; W247-F263 AromaticContact CH2-CZ 3.61Å; W247-F263 HydrophobicContact CH2-CZ 3.61Å; W247-F263 HydrophobicContact CZ2-CD2 4.05Å; W247-F263 HydrophobicContact CZ2-CE1 4.34Å; W247-F263 AromaticContact CZ2-CE2 3.21Å; W247-F263 HydrophobicContact CZ2-CE2 3.21Å; W247-F263 AromaticContact CZ2-CZ 3.39Å; W247-F263 HydrophobicContact CZ2-CZ 3.39Å; L261-F263 VanDerWaalsContact C-N 3.27Å; L261-F263 PolarHBondContact O-N 3.07Å; F263-E265 PolarHBondContact O-N 3.03Å; F263-E265 VanDerWaalsContact O-N 3.17Å; F263-S266 WeakPolarHBondContact O-CB 3.23Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-A269 HydrophobicContact CB-CB 4.28Å; F263-A269 HydrophobicContact CD1-CB 4.11Å; F263-A269 VanDerWaalsContact CD1-O 3.31Å; F263-A269 WeakPolarHBondContact CD1-O 3.4Å; F263-A269 WeakPolarHBondContact CE1-O 3.39Å; F263-I270 HydrophobicContact CB-CG1 3.64Å; F263-I270 HydrophobicContact CD2-CG1 3.81Å; F263-I270 HydrophobicContact CG-CG1 3.77Å; F263-F275 HydrophobicContact CD1-CB 4.18Å; F263-F275 HydrophobicContact CE1-CB 3.75Å; F263-F275 HydrophobicContact CE1-CD1 4Å; F263-F275 HydrophobicContact CE1-CG 4.29Å; F263-F275 HydrophobicContact CZ-CB 4.37Å; F263-F275 HydrophobicContact CZ-CD1 4.09Å; F263-L295 HydrophobicContact CE2-CD1 4.26Å; F263-L295 HydrophobicContact CE2-CD2 3.97Å; F263-L295 HydrophobicContact CZ-CD1 4.01Å; F263-L295 HydrophobicContact CZ-CD2 4.17Å; F263-L295 HydrophobicContact CZ-CG 4.48Å
264	G	93.6	Very high	96.3	Very high	34 Å²	34	45.5 Å²	45.5	35%	0.351	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-116	-165.4	0	0	0	0	0	110.8	S225 L261	S225-G264 WeakPolarHBondContact CA-O 3.32Å; S225-G264 WeakPolarHBondContact CB-O 3.26Å; S225-G264 PolarHBondContact OG-O 3.39Å; L261-G264 PolarHBondContact O-N 3.49Å
265	E	92.8	Very high	96.2	Very high	136 Å²	136	45.5 Å²	45.5	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	11.8	171.4	-60.8	-160.9	123.6	0	0	113	L224 F263 Q267	L224-E265 HydrophobicContact CD2-CB 3.9Å; L224-E265 HydrophobicContact CD2-CG 4.3Å; L224-E265 HydrophobicContact CG-CB 4.38Å; F263-E265 PolarHBondContact O-N 3.03Å; F263-E265 VanDerWaalsContact O-N 3.17Å; E265-Q267 PolarHBondContact O-N 3.23Å
266	S	96.9	Very high	96.1	Very high	59 Å²	59	46.4 Å²	46.4	41%	0.413	27%	0.271	S	S	.	.			trans	-74.2	99.9	-174.8	-179.1	0	0	0	0	111.6	F263 V268 A269 I270	F263-S266 WeakPolarHBondContact O-CB 3.23Å; F263-S266 PolarHBondContact O-N 2.89Å; S266-V268 PolarHBondContact O-N 3.36Å; S266-A269 PolarHBondContact O-N 2.77Å; S266-A269 PolarHBondContact OG-N 3Å; S266-I270 WeakPolarHBondContact O-CG1 3.47Å; S266-I270 PolarHBondContact O-N 3.49Å
267	Q	95.6	Very high	96	Very high	106 Å²	106	46.6 Å²	46.6	50%	0.495	27%	0.272	S	S	.	.	H	α-helix	trans	-52.2	-37.3	175.3	-72.2	-177	-18.9	0	0	113.3	L224 V232 E265 I270 C271	L224-Q267 HydrophobicContact CD1-CG 4.24Å; V232-Q267 HydrophobicContact CG1-CB 3.69Å; V232-Q267 HydrophobicContact CG1-CG 3.84Å; E265-Q267 PolarHBondContact O-N 3.23Å; Q267-I270 PolarHBondContact O-N 3.34Å; Q267-C271 PolarHBondContact O-N 3.21Å; Q267-C271 PolarHBondContact O-SG 2.81Å; Q267-C271 VanDerWaalsContact O-SG 3.39Å
268	V	96.6	Very high	95.9	Very high	99 Å²	99	48.1 Å²	48.1	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-66.9	-45.9	176.4	-177.1	0	0	0	0	110.7	S266 I270 C271 D272	S266-V268 PolarHBondContact O-N 3.36Å; V268-I270 VanDerWaalsContact C-N 3.3Å; V268-I270 PolarHBondContact O-N 3.09Å; V268-C271 PolarHBondContact O-N 2.59Å; V268-D272 WeakPolarHBondContact O-CB 3.41Å; V268-D272 VanDerWaalsContact O-CG 3.31Å; V268-D272 PolarHBondContact O-N 2.77Å
269	A	96.3	Very high	95.6	Very high	17 Å²	17	50.7 Å²	50.7	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-33.5	178.6	0	0	0	0	0	112.6	F263 S266 G273 S274	F263-A269 HydrophobicContact CB-CB 4.28Å; F263-A269 HydrophobicContact CD1-CB 4.11Å; F263-A269 VanDerWaalsContact CD1-O 3.31Å; F263-A269 WeakPolarHBondContact CD1-O 3.4Å; F263-A269 WeakPolarHBondContact CE1-O 3.39Å; S266-A269 PolarHBondContact O-N 2.77Å; S266-A269 PolarHBondContact OG-N 3Å; A269-G273 PolarHBondContact O-N 3.08Å; A269-G273 VanDerWaalsContact O-N 3.16Å; A269-S274 PolarHBondContact O-N 2.99Å
270	I	97	Very high	95.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-57.8	170.1	-68.9	169.4	0	0	0	109.6	R227 P229 V232 W247 F263 S266 Q267 V268 D272 G273	R227-I270 VanDerWaalsContact O-CG2 3.32Å; R227-I270 WeakPolarHBondContact O-CG2 3.48Å; P229-I270 HydrophobicContact CG-CG2 4.19Å; P229-I270 WeakPolarHBondContact CG-O 3.44Å; V232-I270 HydrophobicContact CG2-CG2 3.98Å; W247-I270 WeakPolarHBondContact CH2-O 3.46Å; W247-I270 HydrophobicContact CZ2-CB 4.47Å; W247-I270 HydrophobicContact CZ2-CG2 3.88Å; F263-I270 HydrophobicContact CB-CG1 3.64Å; F263-I270 HydrophobicContact CD2-CG1 3.81Å; F263-I270 HydrophobicContact CG-CG1 3.77Å; S266-I270 WeakPolarHBondContact O-CG1 3.47Å; S266-I270 PolarHBondContact O-N 3.49Å; Q267-I270 PolarHBondContact O-N 3.34Å; V268-I270 VanDerWaalsContact C-N 3.3Å; V268-I270 PolarHBondContact O-N 3.09Å; I270-D272 VanDerWaalsContact C-N 3.31Å; I270-D272 PolarHBondContact O-N 3.46Å; I270-G273 PolarHBondContact O-N 3.48Å
271	C	96	Very high	95.3	Very high	40 Å²	40	52.5 Å²	52.5	27%	0.27	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-38.9	-178.1	-73.1	0	0	0	0	113.6	Q267 V268 G273	Q267-C271 PolarHBondContact O-N 3.21Å; Q267-C271 PolarHBondContact O-SG 2.81Å; Q267-C271 VanDerWaalsContact O-SG 3.39Å; V268-C271 PolarHBondContact O-N 2.59Å; C271-G273 VanDerWaalsContact C-N 3.31Å; C271-G273 PolarHBondContact O-N 2.88Å
272	D	94.6	Very high	95.2	Very high	111 Å²	111	59.2 Å²	59.2	59%	0.594	33%	0.332	S	S	*	.	H	α-helix	trans	-75.6	-14.9	178.4	-69.9	-12.6	0	0	0	113.6	V268 I270 S274	V268-D272 WeakPolarHBondContact O-CB 3.41Å; V268-D272 VanDerWaalsContact O-CG 3.31Å; V268-D272 PolarHBondContact O-N 2.77Å; I270-D272 VanDerWaalsContact C-N 3.31Å; I270-D272 PolarHBondContact O-N 3.46Å; D272-S274 PolarHBondContact O-N 2.95Å
273	G	94.3	Very high	95.2	Very high	15 Å²	15	59.5 Å²	59.5	16%	0.155	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	26.1	-165.9	0	0	0	0	0	113.3	A269 I270 C271 F275	A269-G273 PolarHBondContact O-N 3.08Å; A269-G273 VanDerWaalsContact O-N 3.16Å; I270-G273 PolarHBondContact O-N 3.48Å; C271-G273 VanDerWaalsContact C-N 3.31Å; C271-G273 PolarHBondContact O-N 2.88Å; G273-F275 WeakPolarHBondContact O-CD1 3.41Å; G273-F275 PolarHBondContact O-N 2.7Å; G273-F275 VanDerWaalsContact O-N 3.13Å
274	S	94.1	Very high	95.2	Very high	65 Å²	65	60.8 Å²	60.8	46%	0.455	34%	0.341	S	S	.	.			trans	-87.8	82	-167.5	-160.6	0	0	0	0	112	A269 D272	A269-S274 PolarHBondContact O-N 2.99Å; D272-S274 PolarHBondContact O-N 2.95Å
275	F	96.1	Very high	95.3	Very high	15 Å²	15	63.8 Å²	63.8	7%	0.066	34%	0.343	C	S	.	.			trans	-123.6	169.4	170.7	76.6	-78.8	0	0	0	111.4	Y254 P262 F263 G273 I277 I291 R292 L295	Y254-F275 HydrophobicContact CD2-CD2 4.23Å; Y254-F275 HydrophobicContact CE2-CD2 4.06Å; P262-F275 HydrophobicContact CB-CB 3.76Å; P262-F275 HydrophobicContact CB-CD2 4.37Å; P262-F275 HydrophobicContact CB-CG 4.14Å; F263-F275 HydrophobicContact CD1-CB 4.18Å; F263-F275 HydrophobicContact CE1-CB 3.75Å; F263-F275 HydrophobicContact CE1-CD1 4Å; F263-F275 HydrophobicContact CE1-CG 4.29Å; F263-F275 HydrophobicContact CZ-CB 4.37Å; F263-F275 HydrophobicContact CZ-CD1 4.09Å; G273-F275 WeakPolarHBondContact O-CD1 3.41Å; G273-F275 PolarHBondContact O-N 2.7Å; G273-F275 VanDerWaalsContact O-N 3.13Å; F275-I277 HydrophobicContact CE2-CD1 4.06Å; F275-I277 HydrophobicContact CE2-CG1 4.49Å; F275-I291 HydrophobicContact CE2-CG2 3.91Å; F275-I291 HydrophobicContact CZ-CG2 4.11Å; F275-R292 HydrophobicContact CZ-CB 4.1Å; F275-L295 HydrophobicContact CD1-CB 4.28Å; F275-L295 HydrophobicContact CD1-CD1 3.83Å; F275-L295 HydrophobicContact CD2-CD1 4.31Å; F275-L295 HydrophobicContact CE1-CB 3.67Å; F275-L295 HydrophobicContact CE1-CD1 3.71Å; F275-L295 HydrophobicContact CE1-CG 4.33Å; F275-L295 HydrophobicContact CE2-CD1 4.2Å; F275-L295 HydrophobicContact CG-CD1 4.16Å; F275-L295 HydrophobicContact CZ-CB 4.25Å; F275-L295 HydrophobicContact CZ-CD1 3.91Å
276	T	96.1	Very high	95.5	Very high	48 Å²	48	61.4 Å²	61.4	29%	0.294	33%	0.334	S	S	.	.			trans	-139.6	142	177.3	57.3	0	0	0	0	111.6	Y254 I338 A343	Y254-T276 PolarHBondContact OH-O 3.31Å; T276-I338 WeakPolarHBondContact CA-O 3.29Å; T276-A343 HydrophobicContact CG2-CB 3.5Å
277	I	96.8	Very high	95.5	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-79	135.3	170.1	-60	-63.4	0	0	0	109.6	Y254 F258 F275 D279 H288 P337 I338 A340	Y254-I277 HydrophobicContact CD2-CD1 4.35Å; Y254-I277 HydrophobicContact CE2-CD1 4.23Å; F258-I277 HydrophobicContact CE2-CD1 3.94Å; F258-I277 HydrophobicContact CZ-CD1 4.19Å; F258-I277 HydrophobicContact CZ-CG2 4.12Å; F275-I277 HydrophobicContact CE2-CD1 4.06Å; F275-I277 HydrophobicContact CE2-CG1 4.49Å; I277-D279 PolarHBondContact O-N 3.35Å; I277-H288 HydrophobicContact CD1-CB 4.17Å; I277-H288 HydrophobicContact CG1-CB 4.06Å; I277-P337 HydrophobicContact CG1-CB 3.74Å; I277-I338 PolarHBondContact N-O 3.05Å; I277-A340 PolarHBondContact O-N 3.04Å
278	P	95.2	Very high	95.7	Very high	38 Å²	38	54.3 Å²	54.3	25%	0.247	30%	0.295	C	S	.	.			trans	-59.6	133	173.2	-25.2	35	0	0	0	112.5	F258 N280 S281	F258-P278 HydrophobicContact CD1-CG 3.86Å; F258-P278 HydrophobicContact CE1-CG 4.06Å; F258-P278 HydrophobicContact CG-CG 4.28Å; P278-N280 PolarHBondContact O-N 3.24Å; P278-N280 VanDerWaalsContact O-N 3.09Å; P278-S281 VanDerWaalsContact O-CB 3.32Å; P278-S281 WeakPolarHBondContact O-CB 2.98Å; P278-S281 PolarHBondContact O-N 3.25Å
279	D	90.8	Very high	95.7	Very high	90 Å²	90	49.8 Å²	49.8	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.9	-177.1	-58	-60.4	0	0	0	113.6	I277 K339 S341	I277-D279 PolarHBondContact O-N 3.35Å; D279-K339 WeakPolarHBondContact OD1-CB 3.3Å; D279-S341 WeakPolarHBondContact OD1-CB 3.35Å; D279-S341 PolarHBondContact OD1-N 3.42Å; D279-S341 PolarHBondContact OD1-OG 2.81Å; D279-S341 PolarHBondContact OD2-N 3.26Å; D279-S341 VanDerWaalsContact OD2-N 3.08Å
280	N	92.1	Very high	95.8	Very high	136 Å²	136	49 Å²	49	73%	0.727	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	22.6	177.7	68	-22	0	0	0	113.3	P278	P278-N280 PolarHBondContact O-N 3.24Å; P278-N280 VanDerWaalsContact O-N 3.09Å
281	S	95.4	Very high	95.9	Very high	33 Å²	33	49 Å²	49	23%	0.231	26%	0.261	C	S	.	.			trans	-55.1	138.4	174.7	-175.4	0	0	0	0	111.6	F258 P278 Y283 H288	F258-S281 WeakPolarHBondContact CE1-OG 3.46Å; P278-S281 VanDerWaalsContact O-CB 3.32Å; P278-S281 WeakPolarHBondContact O-CB 2.98Å; P278-S281 PolarHBondContact O-N 3.25Å; S281-Y283 PolarHBondContact OG-N 3.24Å; S281-H288 PolarHBondContact OG-CE1 3.37Å; S281-H288 PolarHBondContact OG-NE2 3.31Å
282	R	95.5	Very high	96	Very high	172 Å²	172	49.8 Å²	49.8	65%	0.649	26%	0.258	S	S	*	.			trans	-97.1	-3.7	178.1	-71	177.6	-71.6	143.7	2	113.5	T145	T145-R282 VanDerWaalsContact O-CZ 3.25Å; T145-R282 PolarHBondContact O-NH1 3.46Å; T145-R282 PolarHBondContact O-NH2 3.37Å
283	Y	97.4	Very high	96.2	Very high	20 Å²	20	45.6 Å²	45.6	8%	0.078	23%	0.234	C	C	.	.	S	Bend	trans	-94	158.1	-179	-47.8	-78.8	0	0	0	111.3	F147 E149 V152 C257 F258 S281 L287 H288	F147-Y283 PolarHBondContact O-OH 3.03Å; E149-Y283 HydrophobicContact CB-CD1 4.05Å; E149-Y283 HydrophobicContact CG-CD1 4.45Å; E149-Y283 VanDerWaalsContact OE2-CA 3.24Å; E149-Y283 WeakPolarHBondContact OE2-CA 3.37Å; V152-Y283 HydrophobicContact CG2-CE1 4.01Å; C257-Y283 HydrophobicContact CB-CD2 3.86Å; C257-Y283 HydrophobicContact CB-CE2 3.54Å; C257-Y283 WeakPolarHBondContact O-CE2 3.44Å; C257-Y283 VanDerWaalsContact O-CZ 3.28Å; C257-Y283 PolarHBondContact O-OH 3.37Å; F258-Y283 HydrophobicContact CD1-CE2 4.32Å; F258-Y283 AromaticContact CE1-CD2 3.92Å; F258-Y283 HydrophobicContact CE1-CD2 3.92Å; F258-Y283 HydrophobicContact CE1-CE2 4.02Å; F258-Y283 HydrophobicContact CZ-CD2 4.23Å; S281-Y283 PolarHBondContact OG-N 3.24Å; Y283-L287 HydrophobicContact CD1-CD2 4.12Å; Y283-L287 HydrophobicContact CG-CD2 4.02Å; Y283-H288 PolarHBondContact O-CE1 3.21Å; Y283-H288 PolarHBondContact O-NE2 3.44Å; Y283-H288 VanDerWaalsContact O-NE2 3.12Å
284	S	96.9	Very high	96.4	Very high	38 Å²	38	44.9 Å²	44.9	27%	0.266	23%	0.227	S	C	.	.			trans	-60.7	152.4	179.3	69.7	0	0	0	0	113.2	E149 D286 L287 H288	E149-S284 WeakPolarHBondContact OE1-CB 3.31Å; E149-S284 PolarHBondContact OE1-OG 3.2Å; E149-S284 PolarHBondContact OE2-N 2.84Å; S284-D286 VanDerWaalsContact C-N 3.28Å; S284-D286 PolarHBondContact O-N 3.34Å; S284-L287 PolarHBondContact O-N 3.32Å; S284-L287 PolarHBondContact OG-N 3.48Å; S284-H288 PolarHBondContact O-CD2 3.07Å; S284-H288 PolarHBondContact O-CE1 2.93Å; S284-H288 PolarHBondContact O-N 2.82Å; S284-H288 PolarHBondContact O-NE2 3.46Å
285	Y	95.8	Very high	96.6	Very high	98 Å²	98	41.8 Å²	41.8	38%	0.384	21%	0.205	S	C	.	.	H	α-helix	trans	-59.1	-40.6	174.9	177.7	-101	0	0	0	111.5	L287 H288 C289 E336 P337	Y285-L287 VanDerWaalsContact C-N 3.29Å; Y285-L287 PolarHBondContact O-N 2.98Å; Y285-H288 WeakPolarHBondContact O-CA 3.45Å; Y285-H288 WeakPolarHBondContact O-CB 3.14Å; Y285-H288 PolarHBondContact O-N 2.93Å; Y285-C289 WeakPolarHBondContact CE1-SG 3.31Å; Y285-C289 PolarHBondContact O-N 2.96Å; Y285-C289 PolarHBondContact O-SG 3.45Å; Y285-E336 WeakPolarHBondContact OH-CG 3.4Å; Y285-E336 PolarHBondContact OH-OE2 2.97Å; Y285-P337 HydrophobicContact CD2-CG 4.44Å; Y285-P337 HydrophobicContact CE2-CG 4.12Å
286	D	96.4	Very high	96.7	Very high	85 Å²	85	42.9 Å²	42.9	46%	0.455	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-34.9	178	-69.7	-7.7	0	0	0	112.7	S284 H288 C289 L290 L315	S284-D286 VanDerWaalsContact C-N 3.28Å; S284-D286 PolarHBondContact O-N 3.34Å; D286-H288 VanDerWaalsContact C-N 3.34Å; D286-C289 PolarHBondContact O-N 2.82Å; D286-L290 WeakPolarHBondContact O-CB 3.48Å; D286-L290 PolarHBondContact O-N 2.85Å; D286-L315 HydrophobicContact CB-CD1 4.19Å; D286-L315 HydrophobicContact CB-CD2 3.47Å; D286-L315 VanDerWaalsContact CB-CD2 3.47Å; D286-L315 HydrophobicContact CB-CG 4.37Å
287	L	97.4	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-36.7	173.8	-163.7	74.4	0	0	0	111.6	E149 V152 L153 L253 C257 Y283 S284 Y285 L290 I291 L315	E149-L287 HydrophobicContact CG-CD2 4.23Å; V152-L287 HydrophobicContact CG1-CD2 4.39Å; L153-L287 HydrophobicContact CD2-CD1 3.71Å; L153-L287 HydrophobicContact CG-CD1 4.2Å; L253-L287 HydrophobicContact CD1-CD1 4.32Å; L253-L287 HydrophobicContact CD2-CD1 4.34Å; C257-L287 VanDerWaalsContact SG-CD2 3.58Å; Y283-L287 HydrophobicContact CD1-CD2 4.12Å; Y283-L287 HydrophobicContact CG-CD2 4.02Å; S284-L287 PolarHBondContact O-N 3.32Å; S284-L287 PolarHBondContact OG-N 3.48Å; Y285-L287 VanDerWaalsContact C-N 3.29Å; Y285-L287 PolarHBondContact O-N 2.98Å; L287-L290 PolarHBondContact O-N 2.66Å; L287-I291 WeakPolarHBondContact O-CG1 3.16Å; L287-I291 PolarHBondContact O-N 2.93Å; L287-L315 HydrophobicContact CD1-CD1 4.29Å
288	H	97.9	Very high	96.7	Very high	17 Å²	17	43.5 Å²	43.5	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-40.2	174.3	-54.6	154.7	0	0	0	111.6	I277 S281 Y283 S284 Y285 D286 L290 I291 R292 P337	I277-H288 HydrophobicContact CD1-CB 4.17Å; I277-H288 HydrophobicContact CG1-CB 4.06Å; S281-H288 PolarHBondContact OG-CE1 3.37Å; S281-H288 PolarHBondContact OG-NE2 3.31Å; Y283-H288 PolarHBondContact O-CE1 3.21Å; Y283-H288 PolarHBondContact O-NE2 3.44Å; Y283-H288 VanDerWaalsContact O-NE2 3.12Å; S284-H288 PolarHBondContact O-CD2 3.07Å; S284-H288 PolarHBondContact O-CE1 2.93Å; S284-H288 PolarHBondContact O-N 2.82Å; S284-H288 PolarHBondContact O-NE2 3.46Å; Y285-H288 WeakPolarHBondContact O-CA 3.45Å; Y285-H288 WeakPolarHBondContact O-CB 3.14Å; Y285-H288 PolarHBondContact O-N 2.93Å; D286-H288 VanDerWaalsContact C-N 3.34Å; H288-L290 VanDerWaalsContact C-N 3.33Å; H288-I291 WeakPolarHBondContact O-CB 3.39Å; H288-I291 PolarHBondContact O-N 3.06Å; H288-R292 PolarHBondContact O-N 2.99Å; H288-P337 HydrophobicContact CB-CB 3.98Å; H288-P337 HydrophobicContact CB-CG 3.66Å
289	C	97.9	Very high	96.8	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-37.8	173.1	-63	0	0	0	0	111.8	Y285 D286 R292 Y293 L334 P337	Y285-C289 WeakPolarHBondContact CE1-SG 3.31Å; Y285-C289 PolarHBondContact O-N 2.96Å; Y285-C289 PolarHBondContact O-SG 3.45Å; D286-C289 PolarHBondContact O-N 2.82Å; C289-R292 PolarHBondContact O-N 3.17Å; C289-Y293 VanDerWaalsContact O-CB 3.31Å; C289-Y293 WeakPolarHBondContact O-CB 3.11Å; C289-Y293 PolarHBondContact O-N 2.98Å; C289-L334 HydrophobicContact CB-CB 3.65Å; C289-L334 HydrophobicContact CB-CD1 4.01Å; C289-P337 VanDerWaalsContact SG-CD 3.51Å
290	L	98.4	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-38.7	174.3	179.9	55.5	0	0	0	112.3	F156 L253 D286 L287 H288 Y293 M294 V308 F311 A312 L315 L334	F156-L290 HydrophobicContact CE1-CD2 4.2Å; L253-L290 HydrophobicContact CD2-CD2 4.22Å; L253-L290 HydrophobicContact CD2-CG 4.11Å; D286-L290 WeakPolarHBondContact O-CB 3.48Å; D286-L290 PolarHBondContact O-N 2.85Å; L287-L290 PolarHBondContact O-N 2.66Å; H288-L290 VanDerWaalsContact C-N 3.33Å; L290-Y293 HydrophobicContact CD1-CD1 4.37Å; L290-Y293 PolarHBondContact O-N 2.78Å; L290-M294 HydrophobicContact CD1-CE 4.49Å; L290-M294 HydrophobicContact CG-CE 4.23Å; L290-M294 PolarHBondContact O-N 2.98Å; L290-V308 HydrophobicContact CD1-CG1 4.45Å; L290-F311 HydrophobicContact CD1-CB 3.95Å; L290-F311 HydrophobicContact CD2-CB 4.47Å; L290-A312 HydrophobicContact CD2-CB 4.16Å; L290-L315 HydrophobicContact CB-CD1 4.5Å; L290-L315 HydrophobicContact CD2-CD1 3.99Å; L290-L334 HydrophobicContact CB-CD1 4.43Å
291	I	98.6	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-50.5	170.4	-67.7	166.6	0	0	0	110.3	L253 Y254 F258 F275 L287 H288 Y293 M294 L295	L253-I291 HydrophobicContact CB-CG1 4.23Å; L253-I291 HydrophobicContact CD2-CG1 3.64Å; L253-I291 HydrophobicContact CG-CD1 4.19Å; L253-I291 HydrophobicContact CG-CG1 3.69Å; Y254-I291 HydrophobicContact CD2-CG2 4.16Å; F258-I291 HydrophobicContact CE2-CD1 4.2Å; F275-I291 HydrophobicContact CE2-CG2 3.91Å; F275-I291 HydrophobicContact CZ-CG2 4.11Å; L287-I291 WeakPolarHBondContact O-CG1 3.16Å; L287-I291 PolarHBondContact O-N 2.93Å; H288-I291 WeakPolarHBondContact O-CB 3.39Å; H288-I291 PolarHBondContact O-N 3.06Å; I291-Y293 VanDerWaalsContact C-N 3.27Å; I291-Y293 PolarHBondContact O-N 2.74Å; I291-M294 PolarHBondContact O-N 3.47Å; I291-L295 HydrophobicContact CG2-CD1 3.76Å; I291-L295 HydrophobicContact CG2-CG 4.37Å; I291-L295 WeakPolarHBondContact O-CG 3.5Å; I291-L295 PolarHBondContact O-N 2.92Å
292	R	98.1	Very high	97.4	Very high	56 Å²	56	42 Å²	42	21%	0.211	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-33.7	178.6	176.5	56.6	-169.8	87.6	-5	112.5	F275 H288 C289 L295 E296 P335	F275-R292 HydrophobicContact CZ-CB 4.1Å; H288-R292 PolarHBondContact O-N 2.99Å; C289-R292 PolarHBondContact O-N 3.17Å; R292-L295 PolarHBondContact NH1-O 2.72Å; R292-L295 CarbonylContact O-C 3.57Å; R292-L295 PolarHBondContact O-N 2.59Å; R292-E296 IonicContact CZ-OE2 2.74Å; R292-E296 VanDerWaalsContact CZ-OE2 3.26Å; R292-E296 IonicContact NH1-OE2 3.71Å; R292-E296 PolarHBondContact NH1-OE2 2.71Å; R292-E296 IonicContact NH2-OE2 2.64Å; R292-E296 PolarHBondContact NH2-OE2 3.08Å; R292-P335 HydrophobicContact CG-CB 4Å; R292-P335 HydrophobicContact CG-CG 3.97Å
293	Y	98.3	Very high	97.5	Very high	23 Å²	23	33.9 Å²	33.9	9%	0.09	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-39.6	177.7	-173.7	-141.7	0	0	0	112.3	C289 L290 I291 P303 Q307 F311 P331 L334 P335	C289-Y293 VanDerWaalsContact O-CB 3.31Å; C289-Y293 WeakPolarHBondContact O-CB 3.11Å; C289-Y293 PolarHBondContact O-N 2.98Å; L290-Y293 HydrophobicContact CD1-CD1 4.37Å; L290-Y293 PolarHBondContact O-N 2.78Å; I291-Y293 VanDerWaalsContact C-N 3.27Å; I291-Y293 PolarHBondContact O-N 2.74Å; Y293-P303 HydrophobicContact CD1-CB 4.26Å; Y293-P303 HydrophobicContact CD1-CG 3.88Å; Y293-P303 HydrophobicContact CD2-CG 4.08Å; Y293-P303 HydrophobicContact CE1-CB 3.71Å; Y293-P303 HydrophobicContact CE1-CG 3.85Å; Y293-P303 HydrophobicContact CE2-CB 4.06Å; Y293-P303 HydrophobicContact CE2-CG 4.04Å; Y293-P303 HydrophobicContact CG-CG 3.99Å; Y293-P303 WeakPolarHBondContact O-CD 3.39Å; Y293-P303 WeakPolarHBondContact O-CG 3.42Å; Y293-Q307 HydrophobicContact CE1-CB 4.22Å; Y293-F311 HydrophobicContact CD1-CD2 4.24Å; Y293-F311 HydrophobicContact CD1-CE2 4.49Å; Y293-F311 AromaticContact CE1-CD2 3.85Å; Y293-F311 HydrophobicContact CE1-CD2 3.85Å; Y293-F311 AromaticContact CE1-CE2 3.83Å; Y293-F311 HydrophobicContact CE1-CE2 3.83Å; Y293-P331 HydrophobicContact CE2-CG 4.19Å; Y293-P331 WeakPolarHBondContact OH-CD 3.45Å; Y293-L334 HydrophobicContact CD1-CD2 3.52Å; Y293-L334 HydrophobicContact CD2-CD2 4.1Å; Y293-L334 HydrophobicContact CE1-CD2 3.85Å; Y293-L334 HydrophobicContact CE2-CD2 4.39Å; Y293-L334 HydrophobicContact CG-CD2 3.66Å; Y293-P335 HydrophobicContact CD2-CG 4.26Å
294	M	98.6	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-76	-38	174.5	-71.9	-174.3	-77	0	0	113.5	F156 V246 L249 L253 L290 I291 E296 R302 V308	F156-M294 HydrophobicContact CE1-CE 4.13Å; F156-M294 HydrophobicContact CE2-CE 4.05Å; F156-M294 HydrophobicContact CE2-SD 4.31Å; F156-M294 HydrophobicContact CZ-CE 3.43Å; F156-M294 VanDerWaalsContact CZ-CE 3.43Å; F156-M294 HydrophobicContact CZ-SD 3.63Å; V246-M294 HydrophobicContact CG1-CB 4.38Å; V246-M294 HydrophobicContact CG1-CG 4.04Å; L249-M294 HydrophobicContact CB-SD 3.73Å; L253-M294 HydrophobicContact CB-CE 4.07Å; L253-M294 HydrophobicContact CD2-CE 3.54Å; L253-M294 HydrophobicContact CG-CE 4.45Å; L290-M294 HydrophobicContact CD1-CE 4.49Å; L290-M294 HydrophobicContact CG-CE 4.23Å; L290-M294 PolarHBondContact O-N 2.98Å; I291-M294 PolarHBondContact O-N 3.47Å; M294-E296 PolarHBondContact O-N 3.08Å; M294-R302 WeakPolarHBondContact O-CD 3.43Å; M294-R302 WeakPolarHBondContact O-CG 3.32Å; M294-V308 HydrophobicContact CG-CG1 4.27Å; M294-V308 HydrophobicContact CG-CG2 3.61Å; M294-V308 HydrophobicContact SD-CG1 3.64Å; M294-V308 HydrophobicContact SD-CG2 4Å
295	L	98.4	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.			trans	-81.3	49.1	177.7	-62.2	-178.1	0	0	0	111.9	W247 P262 F263 F275 I291 R292	W247-L295 HydrophobicContact CD2-CD2 3.8Å; W247-L295 HydrophobicContact CE3-CB 4.48Å; W247-L295 HydrophobicContact CE3-CD2 3.97Å; W247-L295 HydrophobicContact CG-CD2 4.28Å; W247-L295 HydrophobicContact CH2-CD2 4.5Å; W247-L295 HydrophobicContact CZ2-CD2 4.33Å; W247-L295 HydrophobicContact CZ3-CB 4.27Å; W247-L295 HydrophobicContact CZ3-CD2 4.31Å; P262-L295 HydrophobicContact CB-CD1 4.13Å; P262-L295 HydrophobicContact CG-CD1 4.03Å; F263-L295 HydrophobicContact CE2-CD1 4.26Å; F263-L295 HydrophobicContact CE2-CD2 3.97Å; F263-L295 HydrophobicContact CZ-CD1 4.01Å; F263-L295 HydrophobicContact CZ-CD2 4.17Å; F263-L295 HydrophobicContact CZ-CG 4.48Å; F275-L295 HydrophobicContact CD1-CB 4.28Å; F275-L295 HydrophobicContact CD1-CD1 3.83Å; F275-L295 HydrophobicContact CD2-CD1 4.31Å; F275-L295 HydrophobicContact CE1-CB 3.67Å; F275-L295 HydrophobicContact CE1-CD1 3.71Å; F275-L295 HydrophobicContact CE1-CG 4.33Å; F275-L295 HydrophobicContact CE2-CD1 4.2Å; F275-L295 HydrophobicContact CG-CD1 4.16Å; F275-L295 HydrophobicContact CZ-CB 4.25Å; F275-L295 HydrophobicContact CZ-CD1 3.91Å; I291-L295 HydrophobicContact CG2-CD1 3.76Å; I291-L295 HydrophobicContact CG2-CG 4.37Å; I291-L295 WeakPolarHBondContact O-CG 3.5Å; I291-L295 PolarHBondContact O-N 2.92Å; R292-L295 PolarHBondContact NH1-O 2.72Å; R292-L295 CarbonylContact O-C 3.57Å; R292-L295 PolarHBondContact O-N 2.59Å
296	E	97.9	Very high	97.8	Very high	39 Å²	39	29 Å²	29	18%	0.182	14%	0.14	C	C	.	.			trans	-93.1	119.6	171.1	177.6	54.1	-147.3	0	0	109.5	R292 M294 D298 K301 R302	R292-E296 IonicContact CZ-OE2 2.74Å; R292-E296 VanDerWaalsContact CZ-OE2 3.26Å; R292-E296 IonicContact NH1-OE2 3.71Å; R292-E296 PolarHBondContact NH1-OE2 2.71Å; R292-E296 IonicContact NH2-OE2 2.64Å; R292-E296 PolarHBondContact NH2-OE2 3.08Å; M294-E296 PolarHBondContact O-N 3.08Å; E296-D298 PolarHBondContact O-N 3.32Å; E296-K301 HydrophobicContact CG-CB 3.93Å; E296-R302 HydrophobicContact CB-CB 4.19Å; E296-R302 HydrophobicContact CB-CG 4.29Å; E296-R302 PolarHBondContact O-NE 3.16Å; E296-R302 PolarHBondContact O-NH2 3.12Å
297	P	97.3	Very high	97.8	Very high	30 Å²	30	26 Å²	26	20%	0.195	12%	0.123	C	C	.	.	S	Bend	trans	-63.9	-37.2	-170.9	-28.4	37.4	0	0	0	114.6	P229 W247 P299 R302	P229-P297 HydrophobicContact CG-CB 4.12Å; W247-P297 HydrophobicContact CZ3-CG 4.39Å; P297-P299 VanDerWaalsContact O-CD 3.3Å; P297-P299 WeakPolarHBondContact O-CD 3.42Å; P297-R302 PolarHBondContact O-NH2 3.45Å
298	D	97.2	Very high	97.9	Very high	35 Å²	35	26 Å²	26	19%	0.187	12%	0.123	C	C	.	.	S	Bend	trans	-77.2	111.1	178.7	-174	-7.4	0	0	0	110.8	K238 E296 D300 K301 R302	K238-D298 IonicContact NZ-OD1 2.93Å; K238-D298 PolarHBondContact NZ-OD1 2.83Å; K238-D298 IonicContact NZ-OD2 3.81Å; E296-D298 PolarHBondContact O-N 3.32Å; D298-D300 PolarHBondContact O-N 3.2Å; D298-D300 VanDerWaalsContact O-N 3.09Å; D298-D300 PolarHBondContact OD1-N 2.87Å; D298-D300 VanDerWaalsContact OD1-N 3.16Å; D298-K301 HydrophobicContact CB-CB 4.26Å; D298-K301 HydrophobicContact CB-CD 4.34Å; D298-K301 HydrophobicContact CB-CG 4.12Å; D298-K301 PolarHBondContact O-N 2.81Å; D298-K301 VanDerWaalsContact O-N 3.08Å; D298-K301 IonicContact OD2-NZ 2.67Å; D298-K301 PolarHBondContact OD2-NZ 3.18Å; D298-R302 WeakPolarHBondContact O-CB 3.42Å; D298-R302 PolarHBondContact O-N 2.92Å
299	P	97.3	Very high	97.9	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.026	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.6	-175.6	27.4	-35.6	0	0	0	113.1	E230 K238 K243 P297	E230-P299 HydrophobicContact CB-CG 4.35Å; E230-P299 HydrophobicContact CG-CG 4.39Å; K238-P299 HydrophobicContact CB-CG 3.96Å; K238-P299 HydrophobicContact CD-CG 3.92Å; K238-P299 HydrophobicContact CG-CG 3.88Å; K243-P299 HydrophobicContact CB-CB 3.95Å; K243-P299 WeakPolarHBondContact CD-O 3.41Å; K243-P299 VanDerWaalsContact CG-O 3.27Å; K243-P299 WeakPolarHBondContact CG-O 3.35Å; K243-P299 PolarHBondContact NZ-O 2.69Å; P297-P299 VanDerWaalsContact O-CD 3.3Å; P297-P299 WeakPolarHBondContact O-CD 3.42Å
300	D	96.1	Very high	97.9	Very high	115 Å²	115	29.1 Å²	29.1	62%	0.615	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.8	175.8	-63.2	-38.1	0	0	0	111.2	K238 K243 D298	K238-D300 IonicContact NZ-OD2 2.72Å; K238-D300 PolarHBondContact NZ-OD2 3.28Å; K243-D300 PolarHBondContact NZ-O 2.71Å; D298-D300 PolarHBondContact O-N 3.2Å; D298-D300 VanDerWaalsContact O-N 3.09Å; D298-D300 PolarHBondContact OD1-N 2.87Å; D298-D300 VanDerWaalsContact OD1-N 3.16Å
301	K	96.6	Very high	97.9	Very high	145 Å²	145	30 Å²	30	63%	0.63	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-30.7	175.7	-59.1	-169.6	-171.5	81.3	0	113.4	E296 D298	E296-K301 HydrophobicContact CG-CB 3.93Å; D298-K301 HydrophobicContact CB-CB 4.26Å; D298-K301 HydrophobicContact CB-CD 4.34Å; D298-K301 HydrophobicContact CB-CG 4.12Å; D298-K301 PolarHBondContact O-N 2.81Å; D298-K301 VanDerWaalsContact O-N 3.08Å; D298-K301 IonicContact OD2-NZ 2.67Å; D298-K301 PolarHBondContact OD2-NZ 3.18Å
302	R	98	Very high	97.9	Very high	1 Å²	1	30 Å²	30	0%	0.004	14%	0.138	C	C	.	.	S	Bend	trans	-54.4	139.5	177.2	-163.8	-177.6	-52.6	144.4	8.1	110.5	E230 K243 V246 M294 E296 P297 D298	E230-R302 IonicContact OE1-CZ 2.8Å; E230-R302 IonicContact OE1-NH1 2.67Å; E230-R302 PolarHBondContact OE1-NH1 2.86Å; E230-R302 IonicContact OE1-NH2 3.26Å; E230-R302 IonicContact OE2-CZ 2.7Å; E230-R302 IonicContact OE2-NH1 3.11Å; E230-R302 PolarHBondContact OE2-NH1 3.46Å; E230-R302 IonicContact OE2-NH2 2.71Å; E230-R302 PolarHBondContact OE2-NH2 3.39Å; K243-R302 VanDerWaalsContact CE-O 3.23Å; K243-R302 WeakPolarHBondContact CE-O 3.49Å; K243-R302 PolarHBondContact NZ-O 3.09Å; K243-R302 WeakPolarHBondContact O-CD 3.37Å; K243-R302 PolarHBondContact O-NH1 3.41Å; V246-R302 HydrophobicContact CG1-CG 4.16Å; M294-R302 WeakPolarHBondContact O-CD 3.43Å; M294-R302 WeakPolarHBondContact O-CG 3.32Å; E296-R302 HydrophobicContact CB-CB 4.19Å; E296-R302 HydrophobicContact CB-CG 4.29Å; E296-R302 PolarHBondContact O-NE 3.16Å; E296-R302 PolarHBondContact O-NH2 3.12Å; P297-R302 PolarHBondContact O-NH2 3.45Å; D298-R302 WeakPolarHBondContact O-CB 3.42Å; D298-R302 PolarHBondContact O-N 2.92Å
303	P	98.1	Very high	97.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-62.2	166.4	-179	22.6	-33.4	0	0	0	113.7	K243 V246 Y293 Q307 V308	K243-P303 VanDerWaalsContact CD-O 3.23Å; K243-P303 WeakPolarHBondContact CD-O 3.31Å; V246-P303 HydrophobicContact CG1-CG 4.11Å; Y293-P303 HydrophobicContact CD1-CB 4.26Å; Y293-P303 HydrophobicContact CD1-CG 3.88Å; Y293-P303 HydrophobicContact CD2-CG 4.08Å; Y293-P303 HydrophobicContact CE1-CB 3.71Å; Y293-P303 HydrophobicContact CE1-CG 3.85Å; Y293-P303 HydrophobicContact CE2-CB 4.06Å; Y293-P303 HydrophobicContact CE2-CG 4.04Å; Y293-P303 HydrophobicContact CG-CG 3.99Å; Y293-P303 WeakPolarHBondContact O-CD 3.39Å; Y293-P303 WeakPolarHBondContact O-CG 3.42Å; P303-Q307 HydrophobicContact CB-CB 3.83Å; P303-V308 HydrophobicContact CB-CG2 4.05Å; P303-V308 HydrophobicContact CG-CG2 3.81Å
304	D	98	Very high	97.8	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.048	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-91.9	173.7	160.5	74.2	25.8	0	0	0	112.5	Y306 Q307 V308 S328	D304-Y306 PolarHBondContact O-N 2.91Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.4Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.47Å; D304-Y306 PolarHBondContact OD1-N 3.29Å; D304-Q307 PolarHBondContact O-N 3.47Å; D304-Q307 PolarHBondContact OD1-N 2.84Å; D304-V308 WeakPolarHBondContact O-CG2 3.45Å; D304-V308 PolarHBondContact O-N 3.1Å; D304-S328 WeakPolarHBondContact OD2-CB 3.15Å; D304-S328 PolarHBondContact OD2-OG 3.33Å
305	I	98.3	Very high	97.7	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-26.7	-178.5	-167.5	56.7	0	0	0	113.7	C160 V163 H167 L249 S309	C160-I305 HydrophobicContact CB-CD1 4.19Å; V163-I305 HydrophobicContact CB-CD1 4Å; V163-I305 HydrophobicContact CB-CG1 4.32Å; V163-I305 HydrophobicContact CG1-CD1 3.85Å; V163-I305 HydrophobicContact CG1-CG1 4.08Å; H167-I305 HydrophobicContact CB-CG2 3.96Å; L249-I305 HydrophobicContact CD1-CD1 3.59Å; I305-S309 WeakPolarHBondContact O-CB 3.3Å; I305-S309 PolarHBondContact O-N 2.75Å; I305-S309 PolarHBondContact O-OG 3.41Å
306	Y	98.3	Very high	97.6	Very high	40 Å²	40	35.3 Å²	35.3	16%	0.157	17%	0.169	C	C	.	.	H	α-helix	trans	-72.2	-46.7	176.1	166.1	-98.9	0	0	0	110.5	D304 V308 S309 Y310 V322 N324 I330	D304-Y306 PolarHBondContact O-N 2.91Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.4Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.47Å; D304-Y306 PolarHBondContact OD1-N 3.29Å; Y306-V308 VanDerWaalsContact C-N 3.34Å; Y306-V308 PolarHBondContact O-N 2.83Å; Y306-S309 PolarHBondContact O-N 3.36Å; Y306-Y310 WeakPolarHBondContact O-CB 3.32Å; Y306-Y310 PolarHBondContact O-N 3.03Å; Y306-V322 HydrophobicContact CD2-CG1 4.29Å; Y306-V322 VanDerWaalsContact CD2-O 3.27Å; Y306-V322 WeakPolarHBondContact CD2-O 3.32Å; Y306-V322 WeakPolarHBondContact CE2-O 3.45Å; Y306-N324 HydrophobicContact CD1-CB 3.69Å; Y306-N324 WeakPolarHBondContact CD1-OD1 3.46Å; Y306-N324 HydrophobicContact CD2-CB 3.98Å; Y306-N324 HydrophobicContact CE1-CB 3.55Å; Y306-N324 VanDerWaalsContact CE1-ND2 3.26Å; Y306-N324 WeakPolarHBondContact CE1-ND2 3.28Å; Y306-N324 HydrophobicContact CE2-CB 3.84Å; Y306-N324 HydrophobicContact CG-CB 3.91Å; Y306-I330 HydrophobicContact CD1-CD1 4.4Å; Y306-I330 HydrophobicContact CE1-CD1 3.72Å; Y306-I330 HydrophobicContact CE1-CG1 4.37Å
307	Q	98.2	Very high	97.6	Very high	23 Å²	23	42.3 Å²	42.3	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-59.4	-44.4	176.5	-68.8	170	-55.3	0	0	111.3	Y293 P303 D304 Y310 F311 P329 I330	Y293-Q307 HydrophobicContact CE1-CB 4.22Å; P303-Q307 HydrophobicContact CB-CB 3.83Å; D304-Q307 PolarHBondContact O-N 3.47Å; D304-Q307 PolarHBondContact OD1-N 2.84Å; Q307-Y310 PolarHBondContact O-N 3.03Å; Q307-F311 VanDerWaalsContact O-CD2 3.23Å; Q307-F311 WeakPolarHBondContact O-CD2 3.43Å; Q307-F311 PolarHBondContact O-N 3.39Å; Q307-P329 PolarHBondContact NE2-O 3.21Å; Q307-I330 HydrophobicContact CG-CD1 4.29Å
308	V	98.4	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-48.5	174.2	173.2	0	0	0	0	111.4	F156 V246 L290 M294 P303 D304 Y306 Y310 F311 A312	F156-V308 HydrophobicContact CE1-CG1 3.86Å; F156-V308 HydrophobicContact CZ-CG1 3.74Å; V246-V308 HydrophobicContact CG1-CG2 3.91Å; L290-V308 HydrophobicContact CD1-CG1 4.45Å; M294-V308 HydrophobicContact CG-CG1 4.27Å; M294-V308 HydrophobicContact CG-CG2 3.61Å; M294-V308 HydrophobicContact SD-CG1 3.64Å; M294-V308 HydrophobicContact SD-CG2 4Å; P303-V308 HydrophobicContact CB-CG2 4.05Å; P303-V308 HydrophobicContact CG-CG2 3.81Å; D304-V308 WeakPolarHBondContact O-CG2 3.45Å; D304-V308 PolarHBondContact O-N 3.1Å; Y306-V308 VanDerWaalsContact C-N 3.34Å; Y306-V308 PolarHBondContact O-N 2.83Å; V308-Y310 VanDerWaalsContact C-N 3.33Å; V308-Y310 PolarHBondContact O-N 3.24Å; V308-F311 PolarHBondContact O-N 3.08Å; V308-A312 WeakPolarHBondContact O-CB 3.38Å; V308-A312 PolarHBondContact O-N 3.31Å
309	S	98.3	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-39.5	-179.1	-60	0	0	0	0	112.1	I305 Y306 F311 A312 F313 V322	I305-S309 WeakPolarHBondContact O-CB 3.3Å; I305-S309 PolarHBondContact O-N 2.75Å; I305-S309 PolarHBondContact O-OG 3.41Å; Y306-S309 PolarHBondContact O-N 3.36Å; S309-F311 VanDerWaalsContact C-N 3.35Å; S309-F311 PolarHBondContact O-N 2.8Å; S309-A312 PolarHBondContact O-N 2.74Å; S309-F313 WeakPolarHBondContact O-CB 3.5Å; S309-F313 VanDerWaalsContact O-CD2 3.32Å; S309-F313 WeakPolarHBondContact O-CD2 3.25Å; S309-F313 PolarHBondContact O-N 3.16Å; S309-V322 WeakPolarHBondContact OG-CG2 3.48Å
310	Y	97.9	Very high	97.3	Very high	87 Å²	87	52.6 Å²	52.6	34%	0.341	26%	0.255	S	S	.	.	H	α-helix	trans	-54.7	-48.4	177	175.6	-93.5	0	0	0	112	Y306 Q307 V308 K314 I330	Y306-Y310 WeakPolarHBondContact O-CB 3.32Å; Y306-Y310 PolarHBondContact O-N 3.03Å; Q307-Y310 PolarHBondContact O-N 3.03Å; V308-Y310 VanDerWaalsContact C-N 3.33Å; V308-Y310 PolarHBondContact O-N 3.24Å; Y310-K314 WeakPolarHBondContact O-CB 3.34Å; Y310-K314 PolarHBondContact O-N 3.49Å; Y310-K314 VanDerWaalsContact O-N 3.12Å; Y310-I330 HydrophobicContact CD1-CD1 3.79Å; Y310-I330 HydrophobicContact CD1-CG1 4.12Å; Y310-I330 HydrophobicContact CD1-CG2 3.75Å; Y310-I330 HydrophobicContact CD2-CD1 4.3Å; Y310-I330 HydrophobicContact CD2-CG1 4.42Å; Y310-I330 HydrophobicContact CE1-CB 4.49Å; Y310-I330 HydrophobicContact CE1-CD1 4.45Å; Y310-I330 HydrophobicContact CE1-CG1 4.3Å; Y310-I330 HydrophobicContact CE1-CG2 3.45Å; Y310-I330 VanDerWaalsContact CE1-CG2 3.45Å; Y310-I330 HydrophobicContact CG-CD1 3.7Å; Y310-I330 HydrophobicContact CG-CG1 4.18Å
311	F	98	Very high	97.2	Very high	18 Å²	18	50 Å²	50	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-73.6	-38.4	177.7	-68.8	-73.8	0	0	0	113	L290 Y293 Q307 V308 S309 K314 L315 I330 P331 L334	L290-F311 HydrophobicContact CD1-CB 3.95Å; L290-F311 HydrophobicContact CD2-CB 4.47Å; Y293-F311 HydrophobicContact CD1-CD2 4.24Å; Y293-F311 HydrophobicContact CD1-CE2 4.49Å; Y293-F311 AromaticContact CE1-CD2 3.85Å; Y293-F311 HydrophobicContact CE1-CD2 3.85Å; Y293-F311 AromaticContact CE1-CE2 3.83Å; Y293-F311 HydrophobicContact CE1-CE2 3.83Å; Q307-F311 VanDerWaalsContact O-CD2 3.23Å; Q307-F311 WeakPolarHBondContact O-CD2 3.43Å; Q307-F311 PolarHBondContact O-N 3.39Å; V308-F311 PolarHBondContact O-N 3.08Å; S309-F311 VanDerWaalsContact C-N 3.35Å; S309-F311 PolarHBondContact O-N 2.8Å; F311-K314 PolarHBondContact O-N 3.03Å; F311-L315 WeakPolarHBondContact O-CB 3.43Å; F311-L315 WeakPolarHBondContact O-CG 3.38Å; F311-L315 PolarHBondContact O-N 3.05Å; F311-I330 HydrophobicContact CE2-CG2 4.18Å; F311-I330 HydrophobicContact CZ-CG2 3.75Å; F311-P331 HydrophobicContact CE2-CG 4.02Å; F311-P331 HydrophobicContact CZ-CG 4.01Å; F311-L334 HydrophobicContact CB-CD1 4.49Å; F311-L334 HydrophobicContact CD1-CD1 3.93Å; F311-L334 HydrophobicContact CD1-CD2 4.32Å; F311-L334 HydrophobicContact CD1-CG 4.21Å; F311-L334 HydrophobicContact CD2-CD1 4.47Å; F311-L334 HydrophobicContact CD2-CD2 3.88Å; F311-L334 HydrophobicContact CE1-CD1 4.27Å; F311-L334 HydrophobicContact CE1-CD2 4.04Å; F311-L334 HydrophobicContact CE1-CG 4.03Å; F311-L334 HydrophobicContact CE2-CD2 3.59Å; F311-L334 HydrophobicContact CE2-CG 4.45Å; F311-L334 HydrophobicContact CG-CD1 4.05Å; F311-L334 HydrophobicContact CG-CD2 4.25Å; F311-L334 HydrophobicContact CG-CG 4.5Å; F311-L334 HydrophobicContact CZ-CD2 3.68Å; F311-L334 HydrophobicContact CZ-CG 4.17Å
312	A	98	Very high	97.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-51	178	0	0	0	0	0	112.3	F156 L290 V308 S309 L315 A316	F156-A312 HydrophobicContact CD1-CB 3.8Å; F156-A312 HydrophobicContact CE1-CB 3.82Å; L290-A312 HydrophobicContact CD2-CB 4.16Å; V308-A312 WeakPolarHBondContact O-CB 3.38Å; V308-A312 PolarHBondContact O-N 3.31Å; S309-A312 PolarHBondContact O-N 2.74Å; A312-L315 PolarHBondContact O-N 3.49Å; A312-A316 WeakPolarHBondContact O-CB 3.49Å; A312-A316 PolarHBondContact O-N 3.21Å
313	F	97.9	Very high	97	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-69.4	-35.1	179.1	-79.3	-99.4	0	0	0	111.7	C157 S309 L315 A316 Q317 R318 T319 C320 P321	C157-F313 HydrophobicContact CB-CD1 4.39Å; C157-F313 HydrophobicContact CB-CD2 4.15Å; C157-F313 HydrophobicContact CB-CE1 3.99Å; C157-F313 HydrophobicContact CB-CE2 3.74Å; C157-F313 HydrophobicContact CB-CG 4.47Å; C157-F313 HydrophobicContact CB-CZ 3.65Å; S309-F313 WeakPolarHBondContact O-CB 3.5Å; S309-F313 VanDerWaalsContact O-CD2 3.32Å; S309-F313 WeakPolarHBondContact O-CD2 3.25Å; S309-F313 PolarHBondContact O-N 3.16Å; F313-L315 PolarHBondContact O-N 3.31Å; F313-A316 CarbonylContact O-C 3.49Å; F313-A316 PolarHBondContact O-N 3.44Å; F313-Q317 PolarHBondContact O-N 2.86Å; F313-Q317 VanDerWaalsContact O-N 3.1Å; F313-R318 CarbonylContact C-O 3.53Å; F313-R318 HydrophobicContact CD1-CB 3.87Å; F313-R318 PolarHBondContact O-N 3.13Å; F313-R318 VanDerWaalsContact O-O 3.06Å; F313-T319 VanDerWaalsContact CD1-O 3.25Å; F313-T319 WeakPolarHBondContact CD1-O 3.37Å; F313-C320 HydrophobicContact CB-CB 3.97Å; F313-C320 HydrophobicContact CG-CB 4.32Å; F313-P321 HydrophobicContact CE1-CG 3.88Å; F313-P321 HydrophobicContact CE2-CG 4.34Å; F313-P321 VanDerWaalsContact CZ-CD 3.43Å; F313-P321 HydrophobicContact CZ-CG 3.7Å
314	K	96.8	Very high	96.9	Very high	126 Å²	126	52.3 Å²	52.3	55%	0.548	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-45.9	170.7	-177.8	-170.3	176.4	-162.3	0	111.8	Y310 F311 Q317	Y310-K314 WeakPolarHBondContact O-CB 3.34Å; Y310-K314 PolarHBondContact O-N 3.49Å; Y310-K314 VanDerWaalsContact O-N 3.12Å; F311-K314 PolarHBondContact O-N 3.03Å; K314-Q317 PolarHBondContact O-N 2.95Å; K314-Q317 VanDerWaalsContact O-N 3.13Å
315	L	96.8	Very high	96.7	Very high	35 Å²	35	56 Å²	56	18%	0.183	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-38.7	176.6	-76.6	166.5	0	0	0	112.2	L153 D286 L287 L290 F311 A312 F313 Q317	L153-L315 HydrophobicContact CD1-CB 3.96Å; L153-L315 HydrophobicContact CD2-CB 3.84Å; D286-L315 HydrophobicContact CB-CD1 4.19Å; D286-L315 HydrophobicContact CB-CD2 3.47Å; D286-L315 VanDerWaalsContact CB-CD2 3.47Å; D286-L315 HydrophobicContact CB-CG 4.37Å; L287-L315 HydrophobicContact CD1-CD1 4.29Å; L290-L315 HydrophobicContact CB-CD1 4.5Å; L290-L315 HydrophobicContact CD2-CD1 3.99Å; F311-L315 WeakPolarHBondContact O-CB 3.43Å; F311-L315 WeakPolarHBondContact O-CG 3.38Å; F311-L315 PolarHBondContact O-N 3.05Å; A312-L315 PolarHBondContact O-N 3.49Å; F313-L315 PolarHBondContact O-N 3.31Å; L315-Q317 PolarHBondContact O-N 3.03Å; L315-Q317 VanDerWaalsContact O-N 3.16Å
316	A	96.9	Very high	96.3	Very high	26 Å²	26	61.5 Å²	61.5	22%	0.215	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-0.1	173.1	0	0	0	0	0	114.1	L153 A312 F313 R318	L153-A316 HydrophobicContact CB-CB 4.13Å; A312-A316 WeakPolarHBondContact O-CB 3.49Å; A312-A316 PolarHBondContact O-N 3.21Å; F313-A316 CarbonylContact O-C 3.49Å; F313-A316 PolarHBondContact O-N 3.44Å; A316-R318 HydrophobicContact CB-CB 4.45Å; A316-R318 HydrophobicContact CB-CG 4.3Å; A316-R318 WeakPolarHBondContact O-CG 3.37Å; A316-R318 PolarHBondContact O-N 3.39Å
317	Q	96.6	Very high	96.1	Very high	186 Å²	186	66.3 Å²	66.3	87%	0.869	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.6	-174.8	-53.5	-177	13.8	0	0	113.3	F313 K314 L315	F313-Q317 PolarHBondContact O-N 2.86Å; F313-Q317 VanDerWaalsContact O-N 3.1Å; K314-Q317 PolarHBondContact O-N 2.95Å; K314-Q317 VanDerWaalsContact O-N 3.13Å; L315-Q317 PolarHBondContact O-N 3.03Å; L315-Q317 VanDerWaalsContact O-N 3.16Å
318	R	95.1	Very high	96	Very high	108 Å²	108	66.1 Å²	66.1	41%	0.408	34%	0.336	S	S	.	.	S	Bend	trans	-114.2	153.9	-179	-71.2	165	74.9	-172	3	110.5	D158 F313 A316	D158-R318 IonicContact OD1-NH1 3.27Å; D158-R318 IonicContact OD1-NH2 3.74Å; F313-R318 CarbonylContact C-O 3.53Å; F313-R318 HydrophobicContact CD1-CB 3.87Å; F313-R318 PolarHBondContact O-N 3.13Å; F313-R318 VanDerWaalsContact O-O 3.06Å; A316-R318 HydrophobicContact CB-CB 4.45Å; A316-R318 HydrophobicContact CB-CG 4.3Å; A316-R318 WeakPolarHBondContact O-CG 3.37Å; A316-R318 PolarHBondContact O-N 3.39Å
319	T	94.9	Very high	95.8	Very high	135 Å²	135	71 Å²	71	83%	0.828	37%	0.368	S	S	*	.			trans	-67.5	135	167.2	45	0	0	0	0	110	F313 P321	F313-T319 VanDerWaalsContact CD1-O 3.25Å; F313-T319 WeakPolarHBondContact CD1-O 3.37Å; T319-P321 WeakPolarHBondContact O-CD 3.46Å
320	C	95.2	Very high	95.7	Very high	42 Å²	42	73.7 Å²	73.7	28%	0.284	38%	0.381	S	S	.	.			trans	-75.3	122.9	175.9	-172.3	0	0	0	0	109.9	F313	F313-C320 HydrophobicContact CB-CB 3.97Å; F313-C320 HydrophobicContact CG-CB 4.32Å
321	P	95.3	Very high	95.5	Very high	62 Å²	62	71.2 Å²	71.2	40%	0.403	38%	0.376	S	S	.	.			trans	-83.6	-16.6	177.2	33.7	-34.6	0	0	0	112.9	D161 F313 T319	D161-P321 WeakPolarHBondContact OD2-CG 3.41Å; F313-P321 HydrophobicContact CE1-CG 3.88Å; F313-P321 HydrophobicContact CE2-CG 4.34Å; F313-P321 VanDerWaalsContact CZ-CD 3.43Å; F313-P321 HydrophobicContact CZ-CG 3.7Å; T319-P321 WeakPolarHBondContact O-CD 3.46Å
322	V	95.4	Very high	95	Very high	10 Å²	10	76.6 Å²	76.6	6%	0.061	41%	0.413	C	S	.	.			trans	-77.8	133.2	-172.4	-178.6	0	0	0	0	110.6	Q168 Y306 S309	Q168-V322 VanDerWaalsContact NE2-CG1 3.34Å; Y306-V322 HydrophobicContact CD2-CG1 4.29Å; Y306-V322 VanDerWaalsContact CD2-O 3.27Å; Y306-V322 WeakPolarHBondContact CD2-O 3.32Å; Y306-V322 WeakPolarHBondContact CE2-O 3.45Å; S309-V322 WeakPolarHBondContact OG-CG2 3.48Å
323	Q	94.4	Very high	94.6	Very high	140 Å²	140	81.9 Å²	81.9	65%	0.654	45%	0.445	S	S	*	.			trans	-87.4	149.5	-176.4	-60.5	-177.2	7.9	0	0	112	Q168 V325	Q168-Q323 PolarHBondContact NE2-O 3.36Å; Q323-V325 VanDerWaalsContact C-N 3.26Å; Q323-V325 HydrophobicContact CB-CG2 4.08Å; Q323-V325 PolarHBondContact O-N 3.4Å
324	N	95.7	Very high	94.4	Very high	45 Å²	45	83.2 Å²	83.2	24%	0.241	45%	0.452	C	S	.	.			trans	-84	61.4	177.6	-163.6	-2.6	0	0	0	112.5	Y306 K326 N327 S328	Y306-N324 HydrophobicContact CD1-CB 3.69Å; Y306-N324 WeakPolarHBondContact CD1-OD1 3.46Å; Y306-N324 HydrophobicContact CD2-CB 3.98Å; Y306-N324 HydrophobicContact CE1-CB 3.55Å; Y306-N324 VanDerWaalsContact CE1-ND2 3.26Å; Y306-N324 WeakPolarHBondContact CE1-ND2 3.28Å; Y306-N324 HydrophobicContact CE2-CB 3.84Å; Y306-N324 HydrophobicContact CG-CB 3.91Å; N324-K326 PolarHBondContact O-N 2.97Å; N324-N327 PolarHBondContact O-N 2.87Å; N324-N327 PolarHBondContact O-OD1 3.19Å; N324-N327 WeakPolarHBondContact OD1-CA 3.35Å; N324-N327 PolarHBondContact OD1-N 3.4Å; N324-S328 PolarHBondContact ND2-N 3.17Å; N324-S328 PolarHBondContact ND2-O 3.34Å; N324-S328 PolarHBondContact OD1-N 2.96Å
325	V	93.6	Very high	94.2	Very high	86 Å²	86	79.4 Å²	79.4	52%	0.521	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.6	-173.2	-178.1	0	0	0	0	113.4	Q168 Q323	Q168-V325 HydrophobicContact CB-CG2 4.18Å; Q168-V325 HydrophobicContact CG-CB 4.46Å; Q168-V325 HydrophobicContact CG-CG2 4.02Å; Q323-V325 VanDerWaalsContact C-N 3.26Å; Q323-V325 HydrophobicContact CB-CG2 4.08Å; Q323-V325 PolarHBondContact O-N 3.4Å
326	K	91.5	Very high	93.8	Very high	119 Å²	119	84.5 Å²	84.5	52%	0.517	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1.1	179.4	-65.9	-177.2	-179.4	178.8	0	114	N324 S328	N324-K326 PolarHBondContact O-N 2.97Å; K326-S328 WeakPolarHBondContact CB-OG 3.38Å; K326-S328 PolarHBondContact O-N 2.92Å
327	N	94.3	Very high	93.4	Very high	141 Å²	141	83.6 Å²	83.6	75%	0.754	46%	0.455	S	S	*	.			trans	51.7	31.5	-171	-64.9	-30.2	0	0	0	113.5	N324	N324-N327 PolarHBondContact O-N 2.87Å; N324-N327 PolarHBondContact O-OD1 3.19Å; N324-N327 WeakPolarHBondContact OD1-CA 3.35Å; N324-N327 PolarHBondContact OD1-N 3.4Å
328	S	94.4	Very high	93	Very high	19 Å²	19	79.2 Å²	79.2	13%	0.133	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-65.5	132.6	-177.2	-63.3	0	0	0	0	110.9	D304 N324 K326	D304-S328 WeakPolarHBondContact OD2-CB 3.15Å; D304-S328 PolarHBondContact OD2-OG 3.33Å; N324-S328 PolarHBondContact ND2-N 3.17Å; N324-S328 PolarHBondContact ND2-O 3.34Å; N324-S328 PolarHBondContact OD1-N 2.96Å; K326-S328 WeakPolarHBondContact CB-OG 3.38Å; K326-S328 PolarHBondContact O-N 2.92Å
329	P	95.1	Very high	92.7	Very high	103 Å²	103	77.8 Å²	77.8	67%	0.669	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-72.9	143.3	-179	29.5	-34.7	0	0	0	111.4	Q307	Q307-P329 PolarHBondContact NE2-O 3.21Å
330	I	95.8	Very high	92.2	Very high	56 Å²	56	72.9 Å²	72.9	29%	0.287	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-84.6	123.8	170	-61.9	-55	0	0	0	108.6	Y306 Q307 Y310 F311	Y306-I330 HydrophobicContact CD1-CD1 4.4Å; Y306-I330 HydrophobicContact CE1-CD1 3.72Å; Y306-I330 HydrophobicContact CE1-CG1 4.37Å; Q307-I330 HydrophobicContact CG-CD1 4.29Å; Y310-I330 HydrophobicContact CD1-CD1 3.79Å; Y310-I330 HydrophobicContact CD1-CG1 4.12Å; Y310-I330 HydrophobicContact CD1-CG2 3.75Å; Y310-I330 HydrophobicContact CD2-CD1 4.3Å; Y310-I330 HydrophobicContact CD2-CG1 4.42Å; Y310-I330 HydrophobicContact CE1-CB 4.49Å; Y310-I330 HydrophobicContact CE1-CD1 4.45Å; Y310-I330 HydrophobicContact CE1-CG1 4.3Å; Y310-I330 HydrophobicContact CE1-CG2 3.45Å; Y310-I330 VanDerWaalsContact CE1-CG2 3.45Å; Y310-I330 HydrophobicContact CG-CD1 3.7Å; Y310-I330 HydrophobicContact CG-CG1 4.18Å; F311-I330 HydrophobicContact CE2-CG2 4.18Å; F311-I330 HydrophobicContact CZ-CG2 3.75Å
331	P	93.8	Very high	91.6	Very high	35 Å²	35	73.7 Å²	73.7	23%	0.227	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-70.3	146.6	175	30.8	-35.8	0	0	0	111	Y293 F311 T333 L334	Y293-P331 HydrophobicContact CE2-CG 4.19Å; Y293-P331 WeakPolarHBondContact OH-CD 3.45Å; F311-P331 HydrophobicContact CE2-CG 4.02Å; F311-P331 HydrophobicContact CZ-CG 4.01Å; P331-T333 VanDerWaalsContact C-N 3.32Å; P331-T333 PolarHBondContact O-N 2.64Å; P331-L334 HydrophobicContact CG-CD2 4.26Å
332	P	88.2	Confident	91.2	Very high	131 Å²	131	74.7 Å²	74.7	85%	0.851	41%	0.412	S	S	*	.	S	Bend	trans	-71	-29.2	-179	29.2	-35.2	0	0	0	112.8
333	T	90	Very high	90.6	Very high	112 Å²	112	75.1 Å²	75.1	69%	0.687	42%	0.417	S	S	*	.	S	Bend	trans	-133.9	149.8	177.3	49.5	0	0	0	0	109.7	P331	P331-T333 VanDerWaalsContact C-N 3.32Å; P331-T333 PolarHBondContact O-N 2.64Å
334	L	92.8	Very high	89.8	Confident	31 Å²	31	70.4 Å²	70.4	16%	0.162	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-91.9	153.9	174.4	-69.8	-176.8	0	0	0	110.8	C289 L290 Y293 F311 P331	C289-L334 HydrophobicContact CB-CB 3.65Å; C289-L334 HydrophobicContact CB-CD1 4.01Å; L290-L334 HydrophobicContact CB-CD1 4.43Å; Y293-L334 HydrophobicContact CD1-CD2 3.52Å; Y293-L334 HydrophobicContact CD2-CD2 4.1Å; Y293-L334 HydrophobicContact CE1-CD2 3.85Å; Y293-L334 HydrophobicContact CE2-CD2 4.39Å; Y293-L334 HydrophobicContact CG-CD2 3.66Å; F311-L334 HydrophobicContact CB-CD1 4.49Å; F311-L334 HydrophobicContact CD1-CD1 3.93Å; F311-L334 HydrophobicContact CD1-CD2 4.32Å; F311-L334 HydrophobicContact CD1-CG 4.21Å; F311-L334 HydrophobicContact CD2-CD1 4.47Å; F311-L334 HydrophobicContact CD2-CD2 3.88Å; F311-L334 HydrophobicContact CE1-CD1 4.27Å; F311-L334 HydrophobicContact CE1-CD2 4.04Å; F311-L334 HydrophobicContact CE1-CG 4.03Å; F311-L334 HydrophobicContact CE2-CD2 3.59Å; F311-L334 HydrophobicContact CE2-CG 4.45Å; F311-L334 HydrophobicContact CG-CD1 4.05Å; F311-L334 HydrophobicContact CG-CD2 4.25Å; F311-L334 HydrophobicContact CG-CG 4.5Å; F311-L334 HydrophobicContact CZ-CD2 3.68Å; F311-L334 HydrophobicContact CZ-CG 4.17Å; P331-L334 HydrophobicContact CG-CD2 4.26Å
335	P	91.8	Very high	89.1	Confident	45 Å²	45	70.9 Å²	70.9	29%	0.292	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.3	134.3	177.4	27.4	-35.3	0	0	0	111.8	R292 Y293	R292-P335 HydrophobicContact CG-CB 4Å; R292-P335 HydrophobicContact CG-CG 3.97Å; Y293-P335 HydrophobicContact CD2-CG 4.26Å
336	E	89.7	Confident	88.3	Confident	142 Å²	142	69.4 Å²	69.4	66%	0.664	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-69.7	138.9	-175.9	-55	-157.8	-155.2	0	0	112.8	Y285	Y285-E336 WeakPolarHBondContact OH-CG 3.4Å; Y285-E336 PolarHBondContact OH-OE2 2.97Å
337	P	87.4	Confident	87.4	Confident	7 Å²	7	70.8 Å²	70.8	5%	0.045	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-79.2	141.3	176.2	33.5	-37.6	0	0	0	111.7	I277 Y285 H288 C289	I277-P337 HydrophobicContact CG1-CB 3.74Å; Y285-P337 HydrophobicContact CD2-CG 4.44Å; Y285-P337 HydrophobicContact CE2-CG 4.12Å; H288-P337 HydrophobicContact CB-CB 3.98Å; H288-P337 HydrophobicContact CB-CG 3.66Å; C289-P337 VanDerWaalsContact SG-CD 3.51Å
338	I	87.7	Confident	85.9	Confident	94 Å²	94	71.8 Å²	71.8	48%	0.482	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-81.9	126.6	172	-54.3	175.9	0	0	0	109.2	T276 I277 E342 A343	T276-I338 WeakPolarHBondContact CA-O 3.29Å; I277-I338 PolarHBondContact N-O 3.05Å; I338-E342 HydrophobicContact CG2-CB 4.37Å; I338-A343 HydrophobicContact CG2-CB 3.97Å
339	K	88.8	Confident	84.1	Confident	78 Å²	78	75.6 Å²	75.6	34%	0.339	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-83.1	155.4	174.8	-54.5	-171	-162.4	89.2	0	112	D279 S341 E342 A343	D279-K339 WeakPolarHBondContact OD1-CB 3.3Å; K339-S341 VanDerWaalsContact C-N 3.31Å; K339-S341 PolarHBondContact O-N 2.96Å; K339-E342 HydrophobicContact CB-CB 4.49Å; K339-E342 HydrophobicContact CB-CG 4.22Å; K339-E342 WeakPolarHBondContact CB-OE2 3.45Å; K339-E342 WeakPolarHBondContact CG-OE2 3.44Å; K339-E342 PolarHBondContact N-OE2 3.15Å; K339-E342 IonicContact NZ-OE1 2.73Å; K339-E342 PolarHBondContact NZ-OE1 3.21Å; K339-E342 PolarHBondContact O-N 3.07Å; K339-A343 PolarHBondContact O-N 2.94Å
340	A	84.4	Confident	82.3	Confident	32 Å²	32	78.8 Å²	78.8	26%	0.264	45%	0.445	S	S	.	.	H	α-helix	trans	-59.1	-39.4	179.9	0	0	0	0	0	112.8	I277 A344	I277-A340 PolarHBondContact O-N 3.04Å; A340-A344 VanDerWaalsContact O-CB 3.28Å; A340-A344 WeakPolarHBondContact O-CB 3.43Å; A340-A344 PolarHBondContact O-N 2.72Å
341	S	84	Confident	80.2	Confident	60 Å²	60	81.3 Å²	81.3	42%	0.42	46%	0.463	S	S	.	.	H	α-helix	trans	-62.4	-42.2	174.2	54.1	0	0	0	0	113.4	D279 K339 A344 A345	D279-S341 WeakPolarHBondContact OD1-CB 3.35Å; D279-S341 PolarHBondContact OD1-N 3.42Å; D279-S341 PolarHBondContact OD1-OG 2.81Å; D279-S341 PolarHBondContact OD2-N 3.26Å; D279-S341 VanDerWaalsContact OD2-N 3.08Å; K339-S341 VanDerWaalsContact C-N 3.31Å; K339-S341 PolarHBondContact O-N 2.96Å; S341-A344 PolarHBondContact O-N 2.67Å; S341-A345 WeakPolarHBondContact O-CB 3.42Å; S341-A345 PolarHBondContact O-N 3.16Å
342	E	86	Confident	77.8	Confident	83 Å²	83	88 Å²	88	39%	0.388	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-46.4	178.8	-66.8	155.6	-173.1	0	0	110.9	I338 K339 A344 A345 A346	I338-E342 HydrophobicContact CG2-CB 4.37Å; K339-E342 HydrophobicContact CB-CB 4.49Å; K339-E342 HydrophobicContact CB-CG 4.22Å; K339-E342 WeakPolarHBondContact CB-OE2 3.45Å; K339-E342 WeakPolarHBondContact CG-OE2 3.44Å; K339-E342 PolarHBondContact N-OE2 3.15Å; K339-E342 IonicContact NZ-OE1 2.73Å; K339-E342 PolarHBondContact NZ-OE1 3.21Å; K339-E342 PolarHBondContact O-N 3.07Å; E342-A344 VanDerWaalsContact C-N 3.31Å; E342-A344 PolarHBondContact O-N 3.22Å; E342-A345 WeakPolarHBondContact O-CB 3.39Å; E342-A345 PolarHBondContact O-N 3.19Å; E342-A345 VanDerWaalsContact O-N 3.12Å; E342-A346 PolarHBondContact O-N 3.4Å
343	A	82.6	Confident	75.8	Confident	18 Å²	18	88.1 Å²	88.1	15%	0.149	49%	0.489	C	S	.	.	H	α-helix	trans	-61.8	-37.6	174.3	0	0	0	0	0	112.5	T276 I338 K339 K347	T276-A343 HydrophobicContact CG2-CB 3.5Å; I338-A343 HydrophobicContact CG2-CB 3.97Å; K339-A343 PolarHBondContact O-N 2.94Å; A343-K347 WeakPolarHBondContact O-CG 3.32Å; A343-K347 PolarHBondContact O-N 3.39Å; A343-K347 VanDerWaalsContact O-N 3.15Å
344	A	78.8	Confident	73.4	Confident	41 Å²	41	93 Å²	93	34%	0.339	50%	0.495	S	S	.	.	H	α-helix	trans	-69.4	-32.3	174.2	0	0	0	0	0	112.5	A340 S341 E342 K348	A340-A344 VanDerWaalsContact O-CB 3.28Å; A340-A344 WeakPolarHBondContact O-CB 3.43Å; A340-A344 PolarHBondContact O-N 2.72Å; S341-A344 PolarHBondContact O-N 2.67Å; E342-A344 VanDerWaalsContact C-N 3.31Å; E342-A344 PolarHBondContact O-N 3.22Å; A344-K348 WeakPolarHBondContact O-CD 3.45Å; A344-K348 VanDerWaalsContact O-CG 3.27Å; A344-K348 WeakPolarHBondContact O-CG 3.27Å; A344-K348 PolarHBondContact O-N 3.17Å
345	A	79.6	Confident	71.2	Confident	56 Å²	56	99 Å²	99	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-70.1	-43.6	173.7	0	0	0	0	0	111.8	S341 E342 K347 K348 S349	S341-A345 WeakPolarHBondContact O-CB 3.42Å; S341-A345 PolarHBondContact O-N 3.16Å; E342-A345 WeakPolarHBondContact O-CB 3.39Å; E342-A345 PolarHBondContact O-N 3.19Å; E342-A345 VanDerWaalsContact O-N 3.12Å; A345-K347 PolarHBondContact O-N 2.92Å; A345-K348 PolarHBondContact O-N 3.22Å; A345-S349 PolarHBondContact O-N 3.2Å
346	A	77.3	Confident	69.1	Low	54 Å²	54	101.6 Å²	101.6	45%	0.446	54%	0.542	S	S	.	.	H	α-helix	trans	-58.3	-47.9	175.8	0	0	0	0	0	112	E342 K348 S349 Q350	E342-A346 PolarHBondContact O-N 3.4Å; A346-K348 VanDerWaalsContact C-N 3.29Å; A346-K348 PolarHBondContact O-N 3.31Å; A346-S349 WeakPolarHBondContact O-CB 3.5Å; A346-S349 PolarHBondContact O-N 3.48Å; A346-S349 VanDerWaalsContact O-N 3.14Å; A346-Q350 PolarHBondContact O-N 2.89Å
347	K	72.2	Confident	66.7	Low	148 Å²	148	102 Å²	102	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-61.6	-33.9	176.5	-71.5	174.1	-179.3	177.3	0	112.8	A343 A345 T351	A343-K347 WeakPolarHBondContact O-CG 3.32Å; A343-K347 PolarHBondContact O-N 3.39Å; A343-K347 VanDerWaalsContact O-N 3.15Å; A345-K347 PolarHBondContact O-N 2.92Å; K347-T351 PolarHBondContact O-OG1 3.23Å
348	K	62.8	Low	65.2	Low	162 Å²	162	107.1 Å²	107.1	70%	0.704	58%	0.582	S	S	*	*	H	α-helix	trans	-70.3	-42.7	172.4	-72.9	166.9	-175.3	171.7	0	112.1	A344 A345 A346 Q350 T351	A344-K348 WeakPolarHBondContact O-CD 3.45Å; A344-K348 VanDerWaalsContact O-CG 3.27Å; A344-K348 WeakPolarHBondContact O-CG 3.27Å; A344-K348 PolarHBondContact O-N 3.17Å; A345-K348 PolarHBondContact O-N 3.22Å; A346-K348 VanDerWaalsContact C-N 3.29Å; A346-K348 PolarHBondContact O-N 3.31Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 3.18Å; K348-T351 WeakPolarHBondContact O-CB 3.44Å; K348-T351 PolarHBondContact O-N 3.15Å
349	S	58.1	Low	62.8	Low	99 Å²	99	111 Å²	111	69%	0.692	60%	0.601	S	S	*	*	H	α-helix	trans	-60.8	-37.8	-178	-172.9	0	0	0	0	113	A345 A346 T351	A345-S349 PolarHBondContact O-N 3.2Å; A346-S349 WeakPolarHBondContact O-CB 3.5Å; A346-S349 PolarHBondContact O-N 3.48Å; A346-S349 VanDerWaalsContact O-N 3.14Å; S349-T351 PolarHBondContact O-N 2.91Å; S349-T351 VanDerWaalsContact O-N 3.14Å
350	Q	57.3	Low	60.7	Low	171 Å²	171	112 Å²	112	80%	0.799	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-9.6	176.6	-68.8	-178	-11.9	0	0	114	A346 K348 K352	A346-Q350 PolarHBondContact O-N 2.89Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 3.18Å; Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 3.12Å
351	T	51.7	Low	58.7	Low	108 Å²	108	116.3 Å²	116.3	66%	0.663	64%	0.639	S	S	*	*	S	Bend	trans	-86.5	68	-178.9	-49.7	0	0	0	0	112.5	K347 K348 S349	K347-T351 PolarHBondContact O-OG1 3.23Å; K348-T351 WeakPolarHBondContact O-CB 3.44Å; K348-T351 PolarHBondContact O-N 3.15Å; S349-T351 PolarHBondContact O-N 2.91Å; S349-T351 VanDerWaalsContact O-N 3.14Å
352	K	42.4	Very low	56.5	Low	176 Å²	176	119.6 Å²	119.6	77%	0.765	66%	0.657	S	S	*	*			trans	72.9	120.8	172.5	-57.3	175.4	179.2	172	0	117.7	Q350 R354	Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 3.12Å; K352-R354 PolarHBondContact O-N 3.39Å
353	P	45.8	Very low	54.3	Low	134 Å²	134	124 Å²	124	87%	0.87	68%	0.678	S	S	*	*			trans	-69.9	116.4	153.2	30	-31.4	0	0	0	109.5	L355	P353-L355 PolarHBondContact O-N 3.32Å
354	R	41.3	Very low	52.1	Low	215 Å²	215	128.2 Å²	128.2	81%	0.811	70%	0.702	S	S	*	*			trans	-86.1	94.9	174.2	-179.4	-179.9	176	159.3	-1.3	109.3	K352 T356	K352-R354 PolarHBondContact O-N 3.39Å; R354-T356 HydrophobicContact CG-CG2 4.27Å; R354-T356 PolarHBondContact O-N 3.19Å
355	L	46.7	Very low	50.1	Low	157 Å²	157	131.3 Å²	131.3	82%	0.822	72%	0.721	S	S	*	*			trans	-60.3	116.7	173.2	-176.3	69.8	0	0	0	110.6	P353	P353-L355 PolarHBondContact O-N 3.32Å
356	T	47.1	Very low	48.1	Very low	99 Å²	99	135.8 Å²	135.8	61%	0.607	74%	0.735	S	S	*	*			trans	-147.1	99.3	169.5	48.9	0	0	0	0	110.3	R354	R354-T356 HydrophobicContact CG-CG2 4.27Å; R354-T356 PolarHBondContact O-N 3.19Å
357	D	38.4	Very low	46.3	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	75%	0.748	S	S	*	*			trans	-112.8	134.2	160.2	-78.6	-55.1	0	0	0	109.3
358	P	56.2	Low	44.6	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	76%	0.755	S	S	*	*			trans	-102.8	141.8	174	36.4	-30	0	0	0	112.1
359	I	38	Very low	43.3	Very low	174 Å²	174	139.5 Å²	139.5	89%	0.892	76%	0.758	S	S	*	*			trans	-163.5	153.2	157.9	-108.9	149.4	0	0	0	109.5
360	P	45.1	Very low	42.1	Very low	99 Å²	99	141.1 Å²	141.1	64%	0.643	76%	0.755	S	S	*	*			trans	-112.1	158.8	-145.9	40.6	-34.7	0	0	0	117.5
361	T	41.7	Very low	41	Very low	124 Å²	124	142.3 Å²	142.3	76%	0.761	75%	0.752	S	S	*	*			trans	43.1	120.3	146.8	55.1	0	0	0	0	121.2
362	T	36.8	Very low	40.4	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	76%	0.757	S	S	*	*				-170.8	140.6	108.7	20	0	0	0	0	112.4
363	E	40.2	Very low	39.9	Very low	175 Å²	175	143 Å²	143	82%	0.818	76%	0.758	S	S	*	*			trans	31.1	150.9	140	-57.1	-150.6	167.9	0	0	121.6
364	T	37.1	Very low	39	Very low	107 Å²	107	140.6 Å²	140.6	66%	0.656	75%	0.749	S	S	*	*			cis	172.7	131	-2.6	-86.6	0	0	0	0	104.1
365	S	35.6	Very low	38.4	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	75%	0.747	S	S	*	*				173.1	128.8	99.1	38.2	0	0	0	0	116
366	I	39.1	Very low	37.6	Very low	149 Å²	149	136.8 Å²	136.8	76%	0.764	74%	0.744	S	S	*	*				51.1	96.5	127.6	-48.8	-178.8	0	0	0	122.5
367	T	38.2	Very low	36.7	Very low	117 Å²	117	137.5 Å²	137.5	72%	0.718	75%	0.749	S	S	*	*				26	146.4	129.8	74.4	0	0	0	0	124
368	P	37.9	Very low	36.3	Very low	122 Å²	122	137.7 Å²	137.7	79%	0.792	75%	0.745	S	S	*	*				-131.7	157.4	85.9	27.5	-10.2	0	0	0	113.5
369	R	34.2	Very low	35.7	Very low	203 Å²	203	137.9 Å²	137.9	77%	0.766	75%	0.746	S	S	*	*				63.7	136.9	56.8	-77	-165.1	-179.4	-135	18.6	114.5
370	Q	32.8	Very low	35.3	Very low	134 Å²	134	134 Å²	134	63%	0.626	74%	0.74	S	S	*	*			cis	-167.3	147.8	-11.5	-124.7	169.4	-9.4	0	0	113
371	R	34.3	Very low	34.5	Very low	196 Å²	196	134.3 Å²	134.3	74%	0.74	75%	0.751	S	S	*	*			trans	17.1	133.7	133.6	172.4	-173.7	-82.6	-174.3	-4.6	119
372	P	39.4	Very low	33.9	Very low	117 Å²	117	132 Å²	132	76%	0.76	75%	0.751	S	S	*	*				-133.2	161	71	12.4	13.3	0	0	0	115.5
373	K	31.2	Very low	33.7	Very low	181 Å²	181	133.3 Å²	133.3	79%	0.787	75%	0.752	S	S	*	*				60.1	143	64	-74.4	-169.2	174.2	-169.1	0	114.3
374	A	28.1	Very low	33.3	Very low	83 Å²	83	132.2 Å²	132.2	69%	0.686	75%	0.751	S	S	*	*			cis	-158.4	-176	-11.8	0	0	0	0	0	107.9
375	V	28.9	Very low	33.7	Very low	126 Å²	126	132.7 Å²	132.7	76%	0.764	76%	0.756	S	S	*	*				160.6	120.4	94	159.8	0	0	0	0	105.2
376	H	29.4	Very low	33.6	Very low	167 Å²	167	135 Å²	135	77%	0.773	76%	0.758	S	S	*	*				43.1	137.6	101	-129.7	61.2	0	0	0	115
377	T	27.6	Very low	33.2	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.693	76%	0.762	S	S	*	*				-172.4	160.3	60.2	-52.7	0	0	0	0	110.3
378	Q	31.6	Very low	34	Very low	155 Å²	155	137 Å²	137	72%	0.724	77%	0.767	S	S	*	*			trans	-70	156.6	173.7	-77.8	-78.5	-27	0	0	113.2
379	P	43.3	Very low	33.7	Very low	118 Å²	118	136.2 Å²	136.2	77%	0.766	77%	0.771	S	S	*	*				-127.2	-175.4	78	42.9	-33.3	0	0	0	112.4
380	A	28.4	Very low	33.4	Very low	94 Å²	94	130.9 Å²	130.9	78%	0.777	77%	0.77	S	S	*	*			cis	-150.1	-148.2	18.4	0	0	0	0	0	113.5
381	A	29.1	Very low	33.3	Very low	105 Å²	105	131.6 Å²	131.6	87%	0.868	78%	0.778	S	S	*	*			trans	-139.7	152.2	-176.1	0	0	0	0	0	112.5
382	G	28.7	Very low	33.3	Very low	74 Å²	74	128.3 Å²	128.3	76%	0.763	78%	0.779	S	S	*	*			trans	178.4	26.5	-176.7	0	0	0	0	0	122.4
383	I	33.1	Very low	33.7	Very low	157 Å²	157	127.7 Å²	127.7	81%	0.805	78%	0.775	S	S	*	*			trans	60.2	105.8	157.6	-58.1	176.2	0	0	0	118.9
384	L	31.3	Very low	33.6	Very low	153 Å²	153	130.3 Å²	130.3	80%	0.801	78%	0.78	S	S	*	*				43.8	152.8	126.7	-55.3	174.8	0	0	0	122.3
385	P	44.7	Very low	33.4	Very low	116 Å²	116	134.9 Å²	134.9	75%	0.753	79%	0.785	S	S	*	*			cis	-99.9	-140.2	0.9	10.6	14	0	0	0	110.7
386	I	34.1	Very low	33.1	Very low	154 Å²	154	139.1 Å²	139.1	79%	0.79	79%	0.787	S	S	*	*			cis	-143.4	169.7	1.9	-43.6	161.9	0	0	0	107.7
387	Q	31.8	Very low	32.9	Very low	183 Å²	183	135.6 Å²	135.6	86%	0.855	79%	0.787	S	S	*	*			trans	-116.7	141.7	179.4	-64.8	-176	6	0	0	115.1
388	P	54.3	Low	32.7	Very low	125 Å²	125	137.3 Å²	137.3	81%	0.812	79%	0.792	S	S	*	*			trans	-109.8	161.3	151.1	38.7	-30	0	0	0	111.9
389	A	30.7	Very low	32.4	Very low	107 Å²	107	137.1 Å²	137.1	88%	0.884	80%	0.795	S	S	*	*			trans	-165.7	163.1	160.5	0	0	0	0	0	112
390	A	28.5	Very low	31.6	Very low	91 Å²	91	137.2 Å²	137.2	75%	0.752	80%	0.798	S	S	*	*			trans	-144	163.8	179.2	0	0	0	0	0	113
391	L	31.5	Very low	31.5	Very low	149 Å²	149	136.4 Å²	136.4	78%	0.78	80%	0.799	S	S	*	*			trans	59	99.2	154.9	-66.1	167	0	0	0	120.8
392	T	34.3	Very low	31.4	Very low	126 Å²	126	136.2 Å²	136.2	77%	0.773	80%	0.797	S	S	*	*			trans	67.6	-179.1	137.1	77.2	0	0	0	0	118.5
393	P	48.1	Very low	31.4	Very low	104 Å²	104	137.3 Å²	137.3	68%	0.675	80%	0.8	S	S	*	*			cis	-128.6	-179.4	-34.4	22.3	-0.7	0	0	0	114.5
394	R	27.6	Very low	31.2	Very low	237 Å²	237	134.2 Å²	134.2	89%	0.894	80%	0.797	S	S	*	*			trans	84.8	128.6	141.4	-111.6	176.9	-177.9	175.3	2	121.4
395	K	24.8	Very low	31.3	Very low	178 Å²	178	135.9 Å²	135.9	77%	0.774	80%	0.801	S	S	*	*				108	116.3	122.1	-166.6	176.8	178.6	-175	0	120.9
396	R	23.3	Very low	30.5	Very low	216 Å²	216	135 Å²	135	82%	0.815	80%	0.797	S	S	*	*			trans	71.2	95.6	145.8	-171.7	-177.4	-94	-172.8	-8.5	120.5
397	A	23.6	Very low	30.3	Very low	93 Å²	93	134.7 Å²	134.7	77%	0.769	80%	0.803	S	S	*	*				57.6	125.3	117.8	0	0	0	0	0	124.2
398	N	24.7	Very low	30.2	Very low	148 Å²	148	129 Å²	129	79%	0.791	79%	0.793	S	S	*	*			trans	95.3	156.7	132.4	-148.4	14.1	0	0	0	120.2
399	L	25.6	Very low	29	Very low	151 Å²	151	128.9 Å²	128.9	79%	0.791	79%	0.79	S	S	*	*			trans	73.7	147.5	178.1	-50.3	-178.9	0	0	0	115.5
400	S	25	Very low	29.1	Very low	120 Å²	120	133.6 Å²	133.6	84%	0.839	79%	0.786	S	S	*	*			cis	-166.7	148.1	-21.4	179.3	0	0	0	0	108.8
401	G	27.4	Very low	29.2	Very low	77 Å²	77	137.8 Å²	137.8	79%	0.794	79%	0.788	S	S	*	*			trans	-158.5	120.2	179.1	0	0	0	0	0	113.9
402	A	27.4	Very low	29.2	Very low	101 Å²	101	136.8 Å²	136.8	84%	0.835	79%	0.788	S	S	*	*			trans	-92.4	166.3	-176.7	0	0	0	0	0	112.6
403	A	27.4	Very low	30.1	Very low	98 Å²	98	136.1 Å²	136.1	81%	0.81	79%	0.786	S	S	*	*			cis	-177	156.2	-24.2	0	0	0	0	0	109.6
404	A	29.7	Very low	30.2	Very low	91 Å²	91	136.3 Å²	136.3	75%	0.752	79%	0.787	S	S	*	*			trans	-173.7	121.2	147.6	0	0	0	0	0	113.4
405	Q	32	Very low	30.2	Very low	188 Å²	188	132.7 Å²	132.7	88%	0.879	79%	0.785	S	S	*	*			trans	47.6	142.7	135	-61.2	-173.8	16.9	0	0	121.8
406	S	29.5	Very low	30.4	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	79%	0.787	S	S	*	*			cis	-168.5	163.3	-3.9	49	0	0	0	0	113.1
407	V	29.8	Very low	30.7	Very low	149 Å²	149	127.1 Å²	127.1	90%	0.903	79%	0.787	S	S	*	*			trans	61.3	128	166.8	-158	0	0	0	0	117.7
408	G	29.2	Very low	30.9	Very low	63 Å²	63	132 Å²	132	65%	0.649	79%	0.791	S	S	*	*			cis	-142.4	-125.7	-3.4	0	0	0	0	0	110.4
409	T	29.4	Very low	31.2	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	79%	0.786	S	S	*	*			cis	-164.1	176.3	-7.7	-44.3	0	0	0	0	108.6
410	Y	33.4	Very low	31.4	Very low	205 Å²	205	130.4 Å²	130.4	80%	0.804	78%	0.784	S	S	*	*			trans	-132.2	160.3	-178	-43.2	-70.6	0	0	0	111.4
411	F	30.3	Very low	31.6	Very low	180 Å²	180	131.5 Å²	131.5	79%	0.789	78%	0.776	S	S	*	*			cis	-160.1	140	38.8	-122.6	-85.1	0	0	0	114
412	T	29.8	Very low	31.6	Very low	127 Å²	127	136.3 Å²	136.3	78%	0.779	78%	0.775	S	S	*	*			trans	68.1	158.4	151.7	37.9	0	0	0	0	124.4
413	P	53.3	Low	31.6	Very low	113 Å²	113	143.3 Å²	143.3	73%	0.734	78%	0.78	S	S	*	*			trans	-118.2	-159.4	-160.1	49.3	-37.5	0	0	0	113.2
414	P	50.8	Low	31.5	Very low	108 Å²	108	144.4 Å²	144.4	70%	0.701	78%	0.776	S	S	*	*			cis	-141.7	-175.2	3.4	38.3	-15.1	0	0	0	119.3
415	L	27.7	Very low	31.3	Very low	160 Å²	160	144.5 Å²	144.5	84%	0.838	77%	0.772	S	S	*	*			trans	100.9	146.7	156.7	-64.4	174.5	0	0	0	121.9
416	L	29.8	Very low	31	Very low	159 Å²	159	143 Å²	143	83%	0.832	77%	0.769	S	S	*	*			trans	77.3	134.4	160.4	-67.4	-179.3	0	0	0	124.1
417	C	28	Very low	30.6	Very low	118 Å²	118	144.2 Å²	144.2	80%	0.797	77%	0.768	S	S	*	*			trans	49.5	122.3	137.3	-158	0	0	0	0	123.4
418	F	29.7	Very low	30.4	Very low	197 Å²	197	144.2 Å²	144.2	86%	0.864	76%	0.762	S	S	*	*			trans	-148.6	155.4	164.6	-96.9	-106.4	0	0	0	107.9
419	C	30.4	Very low	30.2	Very low	101 Å²	101	146.3 Å²	146.3	68%	0.682	77%	0.766	S	S	*	*			cis	-167.1	140.5	-8.3	48.4	0	0	0	0	108.7
420	H	29.6	Very low	30.3	Very low	163 Å²	163	149 Å²	149	76%	0.755	77%	0.771	S	S	*	*				69.2	147.5	79.3	-98.7	49.8	0	0	0	114.9
421	Q	29.9	Very low	30.8	Very low	144 Å²	144	144.5 Å²	144.5	67%	0.673	77%	0.767	S	S	*	*			cis	-159.4	165	3.2	-173.2	57.3	-51	0	0	112.9
422	K	26.4	Very low	30.6	Very low	178 Å²	178	140.5 Å²	140.5	77%	0.774	77%	0.767	S	S	*	*			trans	-64.6	164.1	167.2	-59.5	175.8	177.7	177.8	0	114.5
423	R	26.6	Very low	30.4	Very low	247 Å²	247	138.8 Å²	138.8	93%	0.932	77%	0.766	S	S	*	*			trans	-155.5	168.9	134.1	-120.7	175.9	-171.5	159.2	4	114
424	V	25.4	Very low	29.2	Very low	121 Å²	121	137.8 Å²	137.8	73%	0.733	77%	0.767	S	S	*	*			trans	-151.9	149.7	-162.9	165.1	0	0	0	0	110.5
425	S	25.8	Very low	28	Very low	94 Å²	94	139.6 Å²	139.6	66%	0.657	77%	0.77	S	S	*	*			trans	79.3	140.4	155.4	-87	0	0	0	0	123.6
426	L	26	Very low	28.2	Very low	156 Å²	156	139.8 Å²	139.8	82%	0.817	77%	0.766	S	S	*	*			trans	66.9	153.7	140.4	-64.1	165.7	0	0	0	118.9
427	D	22	Very low	28.3	Very low	122 Å²	122	137 Å²	137	65%	0.652	76%	0.76	S	S	*	*			cis	-171.9	158.3	-21.3	-176.4	31.1	0	0	0	110.1
428	L	24	Very low	28.6	Very low	150 Å²	150	139.6 Å²	139.6	79%	0.785	76%	0.76	S	S	*	*			trans	56.1	166.9	163.9	-110.2	59.3	0	0	0	117.4
429	S	26.1	Very low	28.7	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	75%	0.754	S	S	*	*			cis	-154.7	167.1	3.4	44.7	0	0	0	0	112
430	Q	31.1	Very low	28.5	Very low	180 Å²	180	137.4 Å²	137.4	84%	0.841	76%	0.755	S	S	*	*			trans	-71.7	176.2	162.5	-80.7	-173.1	13.3	0	0	111.3
431	P	43.8	Very low	28.7	Very low	111 Å²	111	137.9 Å²	137.9	72%	0.721	76%	0.757	S	S	*	*			cis	-152.4	-173	29.5	45	-23.4	0	0	0	119.2
432	A	26.5	Very low	28.6	Very low	96 Å²	96	137 Å²	137	79%	0.793	76%	0.762	S	S	*	*			trans	62.8	160.2	149.4	0	0	0	0	0	120.2
433	A	25.9	Very low	28.6	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	76%	0.761	S	S	*	*			cis	-166.1	145.2	-29.4	0	0	0	0	0	111.7
434	A	27.6	Very low	28.6	Very low	92 Å²	92	126.3 Å²	126.3	76%	0.76	75%	0.753	S	S	*	*			trans	35.9	133.6	144	0	0	0	0	0	124.7
435	L	26.7	Very low	28.7	Very low	146 Å²	146	128.4 Å²	128.4	76%	0.764	76%	0.755	S	S	*	*				-172.5	129.4	129.3	-118.7	69.9	0	0	0	109.3
436	Q	30.7	Very low	29.5	Very low	164 Å²	164	129.7 Å²	129.7	77%	0.766	76%	0.761	S	S	*	*				61.6	147.8	99.4	-66.5	-177.4	3.8	0	0	118.1
437	S	33.2	Very low	29.4	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	76%	0.757	S	S	*	*			cis	-179.1	170	-22.3	-91.7	0	0	0	0	110.8
438	Q	34.3	Very low	29.7	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	75%	0.754	S	S	*	*			trans	76.1	151.4	163.2	-72.6	-167	48.5	0	0	118.6
439	K	30	Very low	29.8	Very low	169 Å²	169	131.1 Å²	131.1	74%	0.735	76%	0.756	S	S	*	*			cis	-171.3	169.6	-7.1	162	175.1	176.4	-176.1	0	112.7
440	A	26.8	Very low	29.9	Very low	84 Å²	84	131.2 Å²	131.2	69%	0.694	75%	0.752	S	S	*	*			trans	94.3	126.7	174.1	0	0	0	0	0	114.8
441	Q	33.7	Very low	29.8	Very low	173 Å²	173	131 Å²	131	81%	0.808	75%	0.751	S	S	*	*			cis	81.2	127.9	43.8	-74.1	-172.6	-50.2	0	0	114.4
442	T	27.2	Very low	29	Very low	126 Å²	126	131 Å²	131	77%	0.773	75%	0.749	S	S	*	*			cis	-92.2	-122.9	1.3	37.9	0	0	0	0	112.5
443	S	27.8	Very low	29	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	75%	0.75	S	S	*	*			cis	-171.1	162.7	-4.4	15.6	0	0	0	0	107.6
444	A	26.6	Very low	29.1	Very low	92 Å²	92	133.2 Å²	133.2	76%	0.76	75%	0.746	S	S	*	*			cis	-160.5	177.8	-16.5	0	0	0	0	0	109.8
445	Q	27.6	Very low	29	Very low	164 Å²	164	135.3 Å²	135.3	77%	0.766	74%	0.744	S	S	*	*			trans	-151.8	154.3	-177.8	-87.4	-71.8	-41.7	0	0	108.7
446	P	42	Very low	29.2	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	74%	0.743	S	S	*	*				-147.3	-171.9	67.5	26.9	-1.1	0	0	0	115.3
447	F	23.8	Very low	28.9	Very low	170 Å²	170	132.7 Å²	132.7	75%	0.746	75%	0.745	S	S	*	*			cis	-171.2	158.4	-35.1	-178.5	-101.6	0	0	0	111.2
448	I	27.6	Very low	28.6	Very low	112 Å²	112	132.5 Å²	132.5	57%	0.574	75%	0.749	S	S	*	*			trans	-38.1	141.5	-178.5	-59.9	171.7	0	0	0	120
449	Q	26.6	Very low	28.3	Very low	177 Å²	177	128.7 Å²	128.7	83%	0.827	75%	0.747	S	S	*	*				-173.4	143.3	126.4	-98.9	172	-0.6	0	0	109.7
450	T	29.2	Very low	28.7	Very low	108 Å²	108	126 Å²	126	66%	0.663	75%	0.747	S	S	*	*			cis	88.9	93	26.7	-40.2	0	0	0	0	116
451	Q	29.3	Very low	28.5	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	75%	0.752	S	S	*	*			trans	-166	138.4	156.3	-97.9	158.2	50.9	0	0	106.5
452	T	25.7	Very low	28.3	Very low	110 Å²	110	130.1 Å²	130.1	68%	0.675	75%	0.753	S	S	*	*			cis	89.3	136.9	27.7	68.3	0	0	0	0	116.6
453	N	26.5	Very low	28.2	Very low	152 Å²	152	132.6 Å²	132.6	81%	0.813	76%	0.756	S	S	*	*			trans	72.5	129.3	-176.4	-58.1	-24.9	0	0	0	115.3
454	A	27.8	Very low	28.2	Very low	82 Å²	82	134.5 Å²	134.5	68%	0.678	76%	0.763	S	S	*	*			cis	96	147.5	16.5	0	0	0	0	0	116.4
455	N	27.2	Very low	28.3	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	76%	0.764	S	S	*	*			trans	72.2	148.3	176.4	-60.6	-38.1	0	0	0	116.1
456	Q	29.3	Very low	28.2	Very low	158 Å²	158	136 Å²	136	74%	0.738	76%	0.762	S	S	*	*			cis	-164.1	153.4	-11.6	-119.3	166.7	43.5	0	0	111.8
457	A	25.3	Very low	27.5	Very low	97 Å²	97	136.1 Å²	136.1	80%	0.802	76%	0.761	S	S	*	*			trans	61.1	164.8	151.9	0	0	0	0	0	118.2
458	A	26.7	Very low	27.8	Very low	95 Å²	95	134 Å²	134	79%	0.785	76%	0.761	S	S	*	*			cis	-141.7	158	-3.2	0	0	0	0	0	110.9
459	A	27.9	Very low	27.8	Very low	92 Å²	92	136.9 Å²	136.9	76%	0.76	77%	0.772	S	S	*	*			trans	-85	166.5	161.8	0	0	0	0	0	110.2
460	P	37.6	Very low	28	Very low	113 Å²	113	136 Å²	136	73%	0.734	77%	0.768	S	S	*	*				-153.6	148.4	85.5	38.6	-19.3	0	0	0	118.8
461	L	24.4	Very low	28.2	Very low	154 Å²	154	137.9 Å²	137.9	81%	0.806	77%	0.774	S	S	*	*			trans	46.2	113.1	135.2	-60.7	169.3	0	0	0	122.7
462	K	28.3	Very low	28.4	Very low	189 Å²	189	134.1 Å²	134.1	82%	0.822	77%	0.767	S	S	*	*				176.8	129.7	108.3	-91	165.6	-177.6	-177	0	108.5
463	Q	26.4	Very low	28.7	Very low	178 Å²	178	135.4 Å²	135.4	83%	0.832	77%	0.769	S	S	*	*				51.1	129.8	77.6	-71.3	-177.3	-33.5	0	0	112.5
464	V	27.8	Very low	29.2	Very low	149 Å²	149	134.4 Å²	134.4	90%	0.903	76%	0.763	S	S	*	*			cis	-134.5	-171.1	36.5	174.3	0	0	0	0	112.1
465	Q	27.2	Very low	29.3	Very low	169 Å²	169	136 Å²	136	79%	0.79	76%	0.76	S	S	*	*			trans	-143.1	132.3	-157.3	171.9	176.3	1.9	0	0	115
466	T	25.6	Very low	29.3	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.724	76%	0.761	S	S	*	*			trans	77.9	159.4	153.4	-58.1	0	0	0	0	121.5
467	V	28.2	Very low	29.4	Very low	124 Å²	124	135 Å²	135	75%	0.752	76%	0.759	S	S	*	*			trans	82.2	120.6	177.9	-164.5	0	0	0	0	114.6
468	V	30.1	Very low	29.5	Very low	125 Å²	125	135.8 Å²	135.8	76%	0.758	76%	0.758	S	S	*	*			cis	106.9	146.1	12.4	-178.9	0	0	0	0	114.4
469	Q	28	Very low	29.7	Very low	173 Å²	173	140.5 Å²	140.5	81%	0.808	76%	0.763	S	S	*	*			trans	84.7	158.3	167.4	-138.5	165.9	-9.8	0	0	117.5
470	E	30.7	Very low	30	Very low	158 Å²	158	142.5 Å²	142.5	74%	0.738	76%	0.76	S	S	*	*				-156.8	-164.8	-64.4	-143.4	-170.5	152.5	0	0	111.9
471	N	31.9	Very low	29.7	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	76%	0.763	S	S	*	*			trans	85.5	127.7	175.4	-61.1	-32.1	0	0	0	118.1
472	S	34.1	Very low	30.2	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	76%	0.758	S	S	*	*			cis	112.2	160	1.4	-160.9	0	0	0	0	116.6
473	L	32.4	Very low	30.5	Very low	136 Å²	136	142.1 Å²	142.1	71%	0.712	75%	0.753	S	S	*	*			trans	87.9	142.2	173.6	-58.6	173.7	0	0	0	117.8	L475	L473-L475 HydrophobicContact CD2-CD1 3.81Å
474	L	35.5	Very low	30.6	Very low	132 Å²	132	139.6 Å²	139.6	69%	0.691	75%	0.745	S	S	*	*			cis	-126.7	150.5	-1	-82.6	103.9	0	0	0	110.1	F476	L474-F476 HydrophobicContact CD2-CD2 4.45Å; L474-F476 HydrophobicContact CD2-CE2 3.79Å
475	L	31.1	Very low	30.6	Very low	115 Å²	115	140.7 Å²	140.7	60%	0.602	74%	0.739	S	S	*	*				67.1	145.7	58.9	-57.8	170.2	0	0	0	113.5	L473	L473-L475 HydrophobicContact CD2-CD1 3.81Å
476	F	27.9	Very low	30.6	Very low	173 Å²	173	142.5 Å²	142.5	76%	0.759	74%	0.741	S	S	*	*			cis	-128.2	160.4	20.8	-82.6	-110.3	0	0	0	111.1	L474	L474-F476 HydrophobicContact CD2-CD2 4.45Å; L474-F476 HydrophobicContact CD2-CE2 3.79Å
477	S	29.8	Very low	31	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	75%	0.745	S	S	*	*			cis	104.9	160.6	28.6	-58.1	0	0	0	0	114.3
478	C	29	Very low	30.9	Very low	113 Å²	113	142.6 Å²	142.6	76%	0.764	74%	0.744	S	S	*	*			trans	-143.8	152	-157.8	175.1	0	0	0	0	111.8
479	E	30.2	Very low	30.7	Very low	194 Å²	194	143.1 Å²	143.1	91%	0.907	75%	0.747	S	S	*	*			trans	-166.3	178.5	160	-118.2	158	-160.8	0	0	116.1
480	I	33.7	Very low	30.7	Very low	134 Å²	134	143.1 Å²	143.1	69%	0.687	75%	0.747	S	S	*	*			trans	-141.7	133.1	-159.7	-75	179.4	0	0	0	114.2
481	M	31.4	Very low	31.3	Very low	164 Å²	164	141.5 Å²	141.5	81%	0.808	75%	0.75	S	S	*	*			trans	62.8	159.5	164.4	-73.3	-170.3	-66.9	0	0	117.7
482	N	35.9	Very low	31.1	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	75%	0.753	S	S	*	*			cis	-152.8	153.2	8.2	-142.8	-10.5	0	0	0	115
483	H	32.9	Very low	30.7	Very low	154 Å²	154	139.7 Å²	139.7	71%	0.713	76%	0.761	S	S	*	*			trans	58.2	132.2	149.4	-111.4	-103.8	0	0	0	126.4
484	L	28.8	Very low	30.7	Very low	124 Å²	124	137.8 Å²	137.8	65%	0.649	77%	0.765	S	S	*	*			trans	66.4	100.4	144.7	-97	173.6	0	0	0	123.5
485	H	28.9	Very low	31.1	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.796	77%	0.774	S	S	*	*				-178.5	164.3	105.4	-100.7	86.7	0	0	0	114.6
486	Y	26.4	Very low	30.9	Very low	208 Å²	208	136.2 Å²	136.2	82%	0.816	78%	0.784	S	S	*	*			trans	-79.2	157.2	171.2	-98.6	-95.6	0	0	0	112
487	P	34.7	Very low	31	Very low	125 Å²	125	132.4 Å²	132.4	81%	0.812	79%	0.785	S	S	*	*				-144.1	-173.1	101.1	39.5	-24.4	0	0	0	114.9
488	T	24.8	Very low	30.9	Very low	118 Å²	118	136.3 Å²	136.3	72%	0.724	79%	0.792	S	S	*	*			trans	-127.5	168.4	-169.2	-48.5	0	0	0	0	111.3
489	V	26.9	Very low	30.9	Very low	136 Å²	136	136.9 Å²	136.9	82%	0.824	79%	0.792	S	S	*	*			trans	103.4	146.3	161	-170	0	0	0	0	116.6
490	Q	27	Very low	30.7	Very low	174 Å²	174	132 Å²	132	81%	0.813	79%	0.786	S	S	*	*			trans	-103.4	-163.6	-172.1	-44.8	156.7	-48.9	0	0	109.9
491	P	45.1	Very low	30.4	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	79%	0.79	S	S	*	*			cis	-121.3	-172.3	-35.7	20.9	2.2	0	0	0	111.3
492	A	25.8	Very low	30.2	Very low	103 Å²	103	128.1 Å²	128.1	85%	0.851	79%	0.792	S	S	*	*			trans	-79.4	157.5	176.5	0	0	0	0	0	114.6
493	A	27.6	Very low	29.9	Very low	104 Å²	104	126.6 Å²	126.6	86%	0.86	80%	0.798	S	S	*	*			trans	-135.2	160.1	164.9	0	0	0	0	0	110.5
494	A	31.2	Very low	29.7	Very low	97 Å²	97	124 Å²	124	80%	0.802	80%	0.803	S	S	*	*			trans	-86.9	166.6	-167.3	0	0	0	0	0	113.9
495	P	43.7	Very low	29.7	Very low	133 Å²	133	123.1 Å²	123.1	86%	0.864	81%	0.807	S	S	*	*			trans	-89.8	161.3	-161.8	35.7	-36.4	0	0	0	115.4
496	G	27.9	Very low	29.8	Very low	80 Å²	80	123.3 Å²	123.3	83%	0.825	81%	0.808	S	S	*	*			trans	-133.8	153.7	160.7	0	0	0	0	0	109.7
497	A	29.7	Very low	30	Very low	94 Å²	94	119.4 Å²	119.4	78%	0.777	81%	0.806	S	S	*	*			trans	-121.4	175.7	-173.1	0	0	0	0	0	112.3
498	E	27.8	Very low	29.9	Very low	181 Å²	181	117.8 Å²	117.8	85%	0.846	80%	0.803	S	S	*	*			trans	72.8	149.6	177	-45.8	-172.7	171.9	0	0	114.5
499	T	27.6	Very low	30.2	Very low	125 Å²	125	121.7 Å²	121.7	77%	0.767	81%	0.81	S	S	*	*			cis	-150.2	156.1	-0.9	-11	0	0	0	0	112.2
500	A	27.5	Very low	30.5	Very low	93 Å²	93	119.1 Å²	119.1	77%	0.769	80%	0.803	S	S	*	*			trans	68.3	137.1	143.3	0	0	0	0	0	124.6
501	A	26.8	Very low	30.7	Very low	94 Å²	94	118.4 Å²	118.4	78%	0.777	81%	0.805	S	S	*	*			trans	81.2	92.7	136	0	0	0	0	0	123.5
502	S	27.1	Very low	30.1	Very low	122 Å²	122	116.7 Å²	116.7	85%	0.853	80%	0.801	S	S	*	*				56.2	110.5	112	177.8	0	0	0	0	122.4
503	A	29.3	Very low	30.2	Very low	99 Å²	99	116.1 Å²	116.1	82%	0.818	80%	0.797	S	S	*	*				175.1	171.8	125.2	0	0	0	0	0	111.3
504	A	29	Very low	31.4	Very low	99 Å²	99	116.4 Å²	116.4	82%	0.818	79%	0.79	S	S	*	*				-174.4	156.8	-52	0	0	0	0	0	108.9
505	S	28.9	Very low	31.4	Very low	105 Å²	105	120.5 Å²	120.5	73%	0.734	79%	0.792	S	S	*	*			trans	-44.1	135.9	-169.4	-55.3	0	0	0	0	121.5
506	Q	30.8	Very low	30.6	Very low	176 Å²	176	118.7 Å²	118.7	82%	0.822	79%	0.788	S	S	*	*				40.5	156.7	115.7	-53.4	177.5	-13.9	0	0	123.7
507	V	31.2	Very low	30.4	Very low	126 Å²	126	123.6 Å²	123.6	76%	0.764	79%	0.789	S	S	*	*			trans	125.8	127.8	134.5	177	0	0	0	0	118.5
508	A	33	Very low	31.1	Very low	92 Å²	92	124.1 Å²	124.1	76%	0.76	78%	0.784	S	S	*	*			trans	69	163	151.4	0	0	0	0	0	122.4
509	K	29.6	Very low	31	Very low	199 Å²	199	121.2 Å²	121.2	87%	0.865	78%	0.779	S	S	*	*			cis	176.3	158.3	-28.4	-175.5	179.8	174.9	-175.8	0	109.2
510	A	34.3	Very low	30.9	Very low	82 Å²	82	119.7 Å²	119.7	68%	0.678	77%	0.774	S	S	*	*			trans	77.1	147.3	160.9	0	0	0	0	0	118
511	D	30.8	Very low	30.9	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	78%	0.776	S	S	*	*			cis	-131.6	-129.3	-3	-140.9	-121.3	0	0	0	112
512	A	31.8	Very low	30.9	Very low	88 Å²	88	126.3 Å²	126.3	73%	0.727	77%	0.773	S	S	*	*			cis	-159.9	-171	5.5	0	0	0	0	0	112
513	A	28.3	Very low	31	Very low	91 Å²	91	128.5 Å²	128.5	75%	0.752	77%	0.769	S	S	*	*			trans	-143.6	-174	177.7	0	0	0	0	0	110.8
514	P	53.6	Low	31	Very low	110 Å²	110	128.2 Å²	128.2	71%	0.714	77%	0.767	S	S	*	*			cis	-144.9	-171.1	4.3	44.2	-24	0	0	0	118.1
515	H	29.9	Very low	31.3	Very low	183 Å²	183	129.7 Å²	129.7	85%	0.847	77%	0.766	S	S	*	*			trans	88	124.5	144.8	-93.9	-53.8	0	0	0	125
516	A	27.5	Very low	32	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	77%	0.768	S	S	*	*			trans	97.4	140.8	130.7	0	0	0	0	0	122.6
517	Q	23.7	Very low	32.1	Very low	184 Å²	184	126.7 Å²	126.7	86%	0.86	76%	0.762	S	S	*	*			trans	-86	-177.1	168.8	-59.7	-175.2	-50.7	0	0	109.8
518	P	45.4	Very low	32.3	Very low	104 Å²	104	126.1 Å²	126.1	68%	0.675	76%	0.764	S	S	*	*			cis	-151.2	175.6	17.2	43.8	-21.4	0	0	0	120.5
519	T	25.1	Very low	32.4	Very low	120 Å²	120	127 Å²	127	74%	0.736	76%	0.764	S	S	*	*			trans	51.9	119.2	143.6	51.8	0	0	0	0	124.1
520	S	25.1	Very low	32.7	Very low	93 Å²	93	123.7 Å²	123.7	65%	0.65	76%	0.76	S	S	*	*				79.7	137.4	117.8	76.7	0	0	0	0	123.5
521	Q	27.1	Very low	32.9	Very low	173 Å²	173	125.7 Å²	125.7	81%	0.808	76%	0.764	S	S	*	*			trans	66.2	161.7	148	-72.9	176.4	18.6	0	0	117.7
522	Q	28	Very low	33.1	Very low	154 Å²	154	123.3 Å²	123.3	72%	0.72	76%	0.76	S	S	*	*			cis	-169.8	163.9	-35.2	-160.7	176.7	2.5	0	0	107
523	Q	28.5	Very low	33.3	Very low	167 Å²	167	123.5 Å²	123.5	78%	0.78	76%	0.761	S	S	*	*			trans	73.1	96.9	147	-160	160.1	-5.3	0	0	121.6
524	A	28.6	Very low	33.7	Very low	94 Å²	94	123.2 Å²	123.2	78%	0.777	76%	0.759	S	S	*	*				74.2	176.8	124	0	0	0	0	0	122.3
525	T	36.8	Very low	34.2	Very low	129 Å²	129	123.6 Å²	123.6	79%	0.791	76%	0.761	S	S	*	*			trans	-88.6	165.1	-168.4	53	0	0	0	0	113.7
526	P	42.4	Very low	35.5	Very low	119 Å²	119	119.4 Å²	119.4	77%	0.773	75%	0.75	S	S	*	*				-134.9	-175	115.9	12.3	10	0	0	0	112.2
527	S	33.7	Very low	36.1	Very low	100 Å²	100	123.7 Å²	123.7	70%	0.699	75%	0.754	S	S	*	*			cis	-177.5	174.7	-46	68.3	0	0	0	0	109.2
528	S	34.9	Very low	36.7	Very low	114 Å²	114	119 Å²	119	80%	0.797	75%	0.747	S	S	*	*			trans	70.6	144.9	174.3	81.1	0	0	0	0	116.8
529	S	34.9	Very low	36.3	Very low	110 Å²	110	118.1 Å²	118.1	77%	0.769	75%	0.749	S	S	*	*			cis	-168.1	-176.3	-19.7	58.8	0	0	0	0	107.7
530	V	35.7	Very low	36.7	Very low	130 Å²	130	121.2 Å²	121.2	79%	0.788	76%	0.755	S	S	*	*			cis	-161.9	-175	9.5	68.8	0	0	0	0	109.6
531	V	38	Very low	36.8	Very low	124 Å²	124	122.7 Å²	122.7	75%	0.752	76%	0.76	S	S	*	*			trans	81	-157.2	161.4	157.1	0	0	0	0	117
532	S	37	Very low	37.9	Very low	109 Å²	109	119.6 Å²	119.6	76%	0.762	76%	0.755	S	S	*	*			trans	-166.7	-178.3	-153.2	-71.8	0	0	0	0	108.6
533	A	34.5	Very low	38	Very low	91 Å²	91	117.8 Å²	117.8	75%	0.752	76%	0.759	S	S	*	*			cis	-148.2	160.5	20.5	0	0	0	0	0	110.3
534	A	36.3	Very low	38.2	Very low	85 Å²	85	115.3 Å²	115.3	70%	0.702	76%	0.76	S	S	*	*			cis	90	142.8	22.3	0	0	0	0	0	115.5
535	P	64.4	Low	39.2	Very low	118 Å²	118	116.5 Å²	116.5	77%	0.766	76%	0.76	S	S	*	*			cis	-139.1	-150.9	-34	43.8	-26	0	0	0	110.4
536	P	58.6	Low	38.8	Very low	95 Å²	95	115.3 Å²	115.3	62%	0.617	76%	0.763	S	S	*	*			cis	-136.6	174.2	-16.6	42.4	-25.5	0	0	0	117.2
537	Q	39.3	Very low	38.6	Very low	185 Å²	185	113.9 Å²	113.9	86%	0.864	76%	0.762	S	S	*	*			trans	66.8	157.3	147	-74.1	160.1	9.7	0	0	122.4
538	A	37	Very low	39	Very low	85 Å²	85	115.5 Å²	115.5	70%	0.702	77%	0.769	S	S	*	*			cis	-175.9	152.1	-30.6	0	0	0	0	0	114.2
539	A	37.1	Very low	39	Very low	86 Å²	86	118.4 Å²	118.4	71%	0.711	77%	0.77	S	S	*	*			trans	65.3	169.2	152	0	0	0	0	0	119.6
540	Q	31.9	Very low	39.3	Very low	185 Å²	185	124 Å²	124	86%	0.864	77%	0.774	S	S	*	*			cis	-157.7	172.4	1.3	-143.1	160.6	94	0	0	112.5
541	T	27.7	Very low	39.7	Very low	124 Å²	124	124 Å²	124	76%	0.761	78%	0.777	S	S	*	*			trans	-100.4	-172.4	172.4	50.4	0	0	0	0	111
542	P	50.1	Low	39.5	Very low	108 Å²	108	122.3 Å²	122.3	70%	0.701	78%	0.777	S	S	*	*			cis	-154.2	-172.1	19.6	43.1	-18.6	0	0	0	120.8
543	S	30.8	Very low	39.5	Very low	116 Å²	116	128.4 Å²	128.4	81%	0.811	78%	0.783	S	S	*	*			trans	78.1	153.4	144.9	57.9	0	0	0	0	124.9
544	S	32.7	Very low	39.4	Very low	114 Å²	114	136 Å²	136	80%	0.797	79%	0.792	S	S	*	*			trans	-95.4	-167.3	-175.9	-37.2	0	0	0	0	112.8
545	P	49.6	Very low	39.3	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	80%	0.795	S	S	*	*			cis	-143.5	-175.7	0.8	44.4	-25	0	0	0	118.4
546	A	28.4	Very low	37.9	Very low	103 Å²	103	143.5 Å²	143.5	85%	0.851	80%	0.8	S	S	*	*			trans	75.9	164.8	149.5	0	0	0	0	0	121.9
547	A	37	Very low	37.4	Very low	90 Å²	90	145 Å²	145	74%	0.744	81%	0.81	S	S	*	*			trans	-117.4	171.6	-174.6	0	0	0	0	0	112.2
548	P	43.9	Very low	37	Very low	133 Å²	133	139.3 Å²	139.3	86%	0.864	80%	0.801	S	S	*	*				-153.3	-150	99.6	42.4	-22.9	0	0	0	115.5
549	Q	33.9	Very low	36.9	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	81%	0.81	S	S	*	*			trans	-106.6	160.9	-163.5	-50.8	171.2	-2.2	0	0	115.2
550	R	40.5	Very low	36.5	Very low	227 Å²	227	145.7 Å²	145.7	86%	0.857	81%	0.809	S	S	*	*			trans	53.1	146	149.4	-97.5	-176.9	178.6	176.9	2	120.3
551	P	44.7	Very low	36.4	Very low	130 Å²	130	146 Å²	146	84%	0.844	81%	0.81	S	S	*	*				-143.3	-167.6	109.1	38.9	-25	0	0	0	113.8
552	A	34.8	Very low	37.8	Very low	90 Å²	90	145.2 Å²	145.2	74%	0.744	81%	0.808	S	S	*	*			trans	-152.8	159	-177.3	0	0	0	0	0	114.8
553	R	36.7	Very low	38	Very low	236 Å²	236	146.3 Å²	146.3	89%	0.891	82%	0.815	S	S	*	*			trans	60.7	117.5	145.8	-173.2	-165.3	-165.9	-166.4	8.1	120.7
554	R	32.5	Very low	38	Very low	252 Å²	252	149.1 Å²	149.1	95%	0.951	82%	0.815	S	S	*	*			trans	-158.6	170.2	139.9	-149.9	151.5	174.4	150.1	-3.1	114.7
555	K	32.8	Very low	37.9	Very low	175 Å²	175	150 Å²	150	76%	0.761	82%	0.815	S	S	*	*			trans	-105.3	155.6	-161.2	-41.5	172	177.3	-178	0	115.5
556	Q	35	Very low	37.1	Very low	184 Å²	184	152 Å²	152	86%	0.86	81%	0.814	S	S	*	*			trans	45.2	166.2	135.4	-77.9	-174.5	-12.1	0	0	122.3
557	P	49	Very low	38.2	Very low	127 Å²	127	152.8 Å²	152.8	83%	0.825	81%	0.811	S	S	*	*			cis	-119.9	-159.9	6.8	44.4	-30	0	0	0	113.4
558	G	30.8	Very low	37.8	Very low	66 Å²	66	153.3 Å²	153.3	68%	0.68	81%	0.809	S	S	*	*			cis	142.3	150.5	-15.3	0	0	0	0	0	115.9
559	Q	35	Very low	38.2	Very low	190 Å²	190	153 Å²	153	89%	0.888	81%	0.807	S	S	*	*			trans	69.6	152.4	178.3	-64.2	-172.5	-3.4	0	0	116.8
560	T	27.8	Very low	38.1	Very low	115 Å²	115	150.1 Å²	150.1	71%	0.706	81%	0.806	S	S	*	*			cis	-160.6	148	-0.8	5.2	0	0	0	0	114.7
561	Q	29.9	Very low	37.6	Very low	190 Å²	190	149 Å²	149	89%	0.888	81%	0.808	S	S	*	*			trans	65.3	163.2	148.2	-80.2	-167.9	-7.3	0	0	124.5
562	P	58.5	Low	36.8	Very low	108 Å²	108	147.3 Å²	147.3	70%	0.701	80%	0.804	S	S	*	*			trans	-123.6	-178.4	-159.6	45.9	-34.7	0	0	0	117.6
563	P	54.3	Low	36.5	Very low	132 Å²	132	148.6 Å²	148.6	86%	0.857	81%	0.808	S	S	*	*			trans	-124.7	-168	145.4	39.3	-27.1	0	0	0	113.5
564	E	30.6	Very low	37	Very low	175 Å²	175	143.8 Å²	143.8	82%	0.818	81%	0.807	S	S	*	*			trans	-153.8	-156.8	-169.2	-152.2	-125.2	81.6	0	0	114.5
565	V	30.8	Very low	36.7	Very low	131 Å²	131	135.5 Å²	135.5	79%	0.794	80%	0.801	S	S	*	*			trans	107.7	140.4	165.2	-171	0	0	0	0	120.5
566	Q	32.1	Very low	36.6	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	81%	0.808	S	S	*	*			trans	-75.8	-174.8	-177.1	-94.6	-176.6	7.8	0	0	116.3
567	P	50.5	Low	37.1	Very low	121 Å²	121	132 Å²	132	79%	0.786	80%	0.795	S	S	*	*			cis	-144.8	-172.9	24.6	44.1	-22.4	0	0	0	119.7
568	S	30	Very low	36.1	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	80%	0.796	S	S	*	*			trans	-110.2	173.6	-171.4	-33.8	0	0	0	0	116
569	P	52.8	Low	36.1	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	80%	0.8	S	S	*	*				-125.7	-161.8	121.8	37.7	-27.3	0	0	0	110.6
570	S	30.3	Very low	35.8	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	79%	0.794	S	S	*	*			cis	-154.3	-130.8	12.9	-166.6	0	0	0	0	112.5
571	K	31.5	Very low	36	Very low	203 Å²	203	129.9 Å²	129.9	88%	0.883	80%	0.795	S	S	*	*			trans	-140.3	170.3	-178.3	-63.3	179.4	172.8	176.8	0	110.2
572	A	26	Very low	36.1	Very low	94 Å²	94	128.9 Å²	128.9	78%	0.777	79%	0.79	S	S	*	*			cis	-151.4	175	14	0	0	0	0	0	113.7
573	S	30.2	Very low	34.9	Very low	118 Å²	118	131 Å²	131	83%	0.825	79%	0.791	S	S	*	*			trans	-121.5	-172.4	167.2	-33	0	0	0	0	108.8
574	P	45.7	Very low	33.8	Very low	134 Å²	134	130.9 Å²	130.9	87%	0.87	78%	0.779	S	S	*	*			cis	-141.5	-172.6	25.7	43.7	-23.4	0	0	0	116.8
575	G	25.9	Very low	33.7	Very low	79 Å²	79	127.7 Å²	127.7	81%	0.814	77%	0.771	S	S	*	*			trans	164.1	101.7	163	0	0	0	0	0	118.3
576	Q	30.9	Very low	34.6	Very low	194 Å²	194	126.8 Å²	126.8	91%	0.907	77%	0.768	S	S	*	*			trans	-128.1	174.7	159.3	-99.1	-171.8	-42.8	0	0	106.9
577	P	46.5	Very low	34.5	Very low	92 Å²	92	123.3 Å²	123.3	60%	0.597	77%	0.767	S	S	*	*			cis	-147.3	-168.2	25.5	43.9	-22.5	0	0	0	117.2
578	E	28.7	Very low	34.4	Very low	181 Å²	181	123 Å²	123	85%	0.846	77%	0.765	S	S	*	*			trans	58.9	168.5	149.1	-77.4	166.2	106.5	0	0	119.8
579	A	29.3	Very low	34.4	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	77%	0.771	S	S	*	*			cis	-172.8	167.1	-21.2	0	0	0	0	0	107.6
580	A	30.3	Very low	33.6	Very low	94 Å²	94	126 Å²	126	78%	0.777	77%	0.77	S	S	*	*			cis	-169.6	-170.3	-22.8	0	0	0	0	0	109
581	A	31.7	Very low	34.3	Very low	86 Å²	86	126.8 Å²	126.8	71%	0.711	77%	0.773	S	S	*	*			trans	71.2	146.7	178.6	0	0	0	0	0	115.8
582	Q	32.1	Very low	34.3	Very low	169 Å²	169	120.9 Å²	120.9	79%	0.79	76%	0.761	S	S	*	*			cis	73.4	126.7	34	-59.9	-177.3	-41.4	0	0	113.8
583	Q	33.4	Very low	34.5	Very low	153 Å²	153	126.6 Å²	126.6	72%	0.715	77%	0.769	S	S	*	*			cis	-147.6	-147.5	-10	-129.3	153.3	-100.4	0	0	107.6
584	E	31.4	Very low	34.6	Very low	129 Å²	129	124.5 Å²	124.5	60%	0.603	76%	0.759	S	S	*	*			cis	-160.7	-160.4	11.5	-167	26.2	-104.1	0	0	109.5
585	T	28.1	Very low	33.8	Very low	109 Å²	109	127.3 Å²	127.3	67%	0.669	76%	0.76	S	S	*	*			trans	-128.4	-172.4	-177.6	65.5	0	0	0	0	111.5
586	P	48.7	Very low	34.1	Very low	111 Å²	111	127.6 Å²	127.6	72%	0.721	76%	0.755	S	S	*	*			cis	-136	173.7	-17.1	41	-24.3	0	0	0	116.5
587	A	31	Very low	34.1	Very low	89 Å²	89	123.7 Å²	123.7	74%	0.736	75%	0.75	S	S	*	*			trans	64.1	173.6	140.8	0	0	0	0	0	121.7
588	P	49.1	Very low	33.5	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	77%	0.765	S	S	*	*			cis	-139.2	-175.8	-42.9	37.7	-20	0	0	0	116.4
589	S	29.7	Very low	33.7	Very low	119 Å²	119	129.1 Å²	129.1	83%	0.832	76%	0.764	S	S	*	*			trans	92.4	163.8	139.5	72.8	0	0	0	0	122.9
590	Q	34.7	Very low	33.7	Very low	171 Å²	171	130.1 Å²	130.1	80%	0.799	77%	0.765	S	S	*	*			trans	-105.4	-173.5	-163.8	-59.1	177.2	-31.4	0	0	113.6
591	P	44.9	Very low	33.8	Very low	133 Å²	133	129.8 Å²	129.8	86%	0.864	76%	0.763	S	S	*	*				-138.1	-172.5	98.5	39.2	-26.7	0	0	0	115.3
592	A	32.8	Very low	33.8	Very low	78 Å²	78	133.9 Å²	133.9	65%	0.645	77%	0.767	S	S	*	*			trans	-136.4	-147.8	-165.7	0	0	0	0	0	114.4
593	F	29.3	Very low	33.7	Very low	215 Å²	215	132.1 Å²	132.1	94%	0.943	76%	0.762	S	S	*	*			trans	90.5	151.4	-176.7	-69.2	-97.7	0	0	0	117.3
594	A	33.6	Very low	33.6	Very low	74 Å²	74	130.5 Å²	130.5	61%	0.612	76%	0.762	S	S	*	*			cis	-175.5	165.8	-32.7	0	0	0	0	0	111.3
595	E	28.4	Very low	33.4	Very low	192 Å²	192	136.2 Å²	136.2	90%	0.897	78%	0.778	S	S	*	*			trans	62.5	168.4	160.3	-71	-168.3	95.8	0	0	119.5
596	A	31.5	Very low	33.4	Very low	86 Å²	86	134.6 Å²	134.6	71%	0.711	78%	0.784	S	S	*	*			cis	-164.4	168.7	-38.3	0	0	0	0	0	110.6
597	S	32	Very low	32.4	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	79%	0.792	S	S	*	*			trans	-85.7	149.9	-171.2	-42	0	0	0	0	116
598	Q	32.4	Very low	32.3	Very low	198 Å²	198	139 Å²	139	93%	0.925	80%	0.796	S	S	*	*			trans	-169.4	153.6	135.3	-110.3	167.7	71.1	0	0	119.1
599	K	32.5	Very low	31.3	Very low	188 Å²	188	139.2 Å²	139.2	82%	0.817	80%	0.795	S	S	*	*			trans	-56.7	154.1	-180	-58.5	163.8	167.6	175.6	0	117.9
600	S	30.1	Very low	31.3	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	79%	0.785	S	S	*	*				153.6	128.8	107.4	-66.5	0	0	0	0	117.9
601	A	32.2	Very low	31	Very low	88 Å²	88	136.1 Å²	136.1	73%	0.727	78%	0.782	S	S	*	*			trans	42.6	126.5	135.7	0	0	0	0	0	126.3
602	Q	31.4	Very low	30.3	Very low	171 Å²	171	136 Å²	136	80%	0.799	77%	0.774	S	S	*	*				81.9	123.1	126.5	-78.9	-171.6	-32.1	0	0	125.3
603	I	30.8	Very low	30.3	Very low	133 Å²	133	139.6 Å²	139.6	68%	0.682	78%	0.777	S	S	*	*				97.3	113.2	122.8	-78	174.7	0	0	0	123.4
604	V	30.4	Very low	30.2	Very low	119 Å²	119	134.7 Å²	134.7	72%	0.721	76%	0.76	S	S	*	*			trans	91.2	128.3	134.9	157	0	0	0	0	124.8
605	R	28.7	Very low	29.8	Very low	248 Å²	248	139.8 Å²	139.8	94%	0.936	77%	0.768	S	S	*	*			trans	58.8	140.2	153	-83	174.7	176	175.7	-1.5	122.6
606	G	26.6	Very low	30	Very low	76 Å²	76	135.4 Å²	135.4	78%	0.784	76%	0.758	S	S	*	*			trans	173.5	140.6	156.2	0	0	0	0	0	111.9
607	Q	28.2	Very low	31.1	Very low	194 Å²	194	137.2 Å²	137.2	91%	0.907	76%	0.762	S	S	*	*			trans	-132.7	141.3	175.2	-74.4	-179.3	-89.5	0	0	111.5
608	A	29.3	Very low	31.1	Very low	99 Å²	99	141 Å²	141	82%	0.818	77%	0.765	S	S	*	*			trans	61.6	171.2	159.2	0	0	0	0	0	116
609	T	28.1	Very low	32.4	Very low	117 Å²	117	136.7 Å²	136.7	72%	0.718	75%	0.754	S	S	*	*			cis	-137.2	174.4	5.1	48.9	0	0	0	0	111
610	S	30.1	Very low	32.5	Very low	89 Å²	89	136 Å²	136	62%	0.622	75%	0.754	S	S	*	*			trans	52.2	141.8	136.9	62.9	0	0	0	0	121.6
611	D	28.8	Very low	32.7	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	75%	0.751	S	S	*	*			cis	-176.3	165.5	3.7	-116.8	-33.7	0	0	0	111.7
612	L	29.7	Very low	32.7	Very low	131 Å²	131	139.9 Å²	139.9	69%	0.686	75%	0.752	S	S	*	*			trans	59.8	157.3	157.2	-86.3	73.9	0	0	0	117.7
613	H	31.9	Very low	32.8	Very low	153 Å²	153	136.5 Å²	136.5	71%	0.708	75%	0.747	S	S	*	*			cis	-169.4	173.7	-12.9	-114.8	-174.1	0	0	0	106.1
614	L	28.5	Very low	32.7	Very low	112 Å²	112	137.1 Å²	137.1	59%	0.586	75%	0.747	S	S	*	*			cis	178.4	147.9	-18.8	164.9	61.3	0	0	0	106.5
615	F	25.4	Very low	32.6	Very low	180 Å²	180	139 Å²	139	79%	0.789	75%	0.75	S	S	*	*				174.3	142	127	-105.5	-81.8	0	0	0	113.9
616	C	32.6	Very low	32.7	Very low	101 Å²	101	131.2 Å²	131.2	68%	0.682	73%	0.734	S	S	*	*			trans	-141.6	175.6	161.9	-70.9	0	0	0	0	106.6
617	P	53.1	Low	32.9	Very low	123 Å²	123	133.6 Å²	133.6	80%	0.799	73%	0.733	S	S	*	*				-151.2	157	112.1	34.1	-16.1	0	0	0	118.1
618	F	32.9	Very low	32.9	Very low	191 Å²	191	131.2 Å²	131.2	84%	0.838	72%	0.722	S	S	*	*			trans	-118.6	155.5	149.1	-62.7	-86.5	0	0	0	106.8
619	P	59.5	Low	32.8	Very low	109 Å²	109	134.4 Å²	134.4	71%	0.708	72%	0.72	S	S	*	*				-121.7	-134.4	76.3	14.5	9.6	0	0	0	111.2
620	E	33.3	Very low	32.6	Very low	172 Å²	172	135 Å²	135	80%	0.804	72%	0.723	S	S	*	*			cis	-155.9	168.4	9.8	-89.6	-157	86.5	0	0	110.5
621	V	34.4	Very low	33.3	Very low	119 Å²	119	136.1 Å²	136.1	72%	0.721	73%	0.728	S	S	*	*			cis	-170.1	147.1	-43.5	104.9	0	0	0	0	108.6
622	H	32.8	Very low	34.4	Very low	163 Å²	163	134.4 Å²	134.4	76%	0.755	73%	0.725	S	S	*	*			trans	-161.8	151.7	165.5	-166.4	44.9	0	0	0	112.6	H624	H622-H624 AromaticContact CE1-CD2 3.91Å
623	S	33.3	Very low	34.4	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	73%	0.73	S	S	*	*			trans	-168.6	166.3	172.1	65.3	0	0	0	0	111.6
624	H	29.7	Very low	34.3	Very low	147 Å²	147	134.2 Å²	134.2	68%	0.681	73%	0.728	S	S	*	*			trans	-148.8	110.8	166.3	-104.1	-77.5	0	0	0	113.3	H622	H622-H624 AromaticContact CE1-CD2 3.91Å
625	M	27.4	Very low	35.4	Very low	157 Å²	157	133.5 Å²	133.5	77%	0.773	73%	0.73	S	S	*	*			trans	54.3	143.8	131.8	-60.4	-174.2	81.4	0	0	121.7
626	S	30.9	Very low	35.6	Very low	85 Å²	85	133.9 Å²	133.9	59%	0.594	73%	0.732	S	S	*	*			cis	-173.2	159.5	-5.1	-104.5	0	0	0	0	113.7
627	V	31.4	Very low	35.5	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	74%	0.737	S	S	*	*			trans	69.5	141.5	146.8	162.9	0	0	0	0	119
628	E	27.1	Very low	34.4	Very low	143 Å²	143	134.5 Å²	134.5	67%	0.668	74%	0.735	S	S	*	*			cis	-171.5	162.2	-17	-178.6	169.7	143.7	0	0	112.2
629	Q	28.2	Very low	34.4	Very low	167 Å²	167	133.7 Å²	133.7	78%	0.78	73%	0.734	S	S	*	*			trans	80.6	160.2	159.8	-93.1	166.3	62.1	0	0	122.3
630	T	24.1	Very low	33.1	Very low	128 Å²	128	134 Å²	134	79%	0.785	73%	0.729	S	S	*	*			trans	-108.3	-168.8	-162.9	54.9	0	0	0	0	112.8
631	P	44.6	Very low	33.2	Very low	113 Å²	113	135.4 Å²	135.4	73%	0.734	73%	0.727	S	S	*	*			cis	-123.5	-106.7	-10.8	26.9	-4.3	0	0	0	118.9
632	P	51.9	Low	33	Very low	102 Å²	102	132.9 Å²	132.9	66%	0.662	73%	0.725	S	S	*	*				-92.8	169.2	-115	9.2	13.8	0	0	0	116.1
633	E	28.7	Very low	33.2	Very low	170 Å²	170	132.7 Å²	132.7	79%	0.794	72%	0.724	S	S	*	*			cis	83.9	148.2	46.2	-148.8	-153.2	177.5	0	0	115.7
634	T	30.8	Very low	33.2	Very low	109 Å²	109	134.8 Å²	134.8	67%	0.669	72%	0.723	S	S	*	*			trans	84.6	163.1	160.9	77	0	0	0	0	120
635	P	51.6	Low	33.2	Very low	97 Å²	97	138.1 Å²	138.1	63%	0.63	73%	0.73	S	S	*	*				-148.4	-171.3	-50.1	43.2	-26.5	0	0	0	116.9
636	K	30.3	Very low	33.3	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	73%	0.729	S	S	*	*			trans	81.9	128.2	158.6	-66.5	164.5	-174.2	176.2	0	116
637	T	30.3	Very low	33.9	Very low	131 Å²	131	138.1 Å²	138.1	80%	0.804	74%	0.737	S	S	*	*			cis	-157.3	171.4	13.2	-3.5	0	0	0	0	108.8
638	S	28.6	Very low	33.8	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	73%	0.732	S	S	*	*			cis	-149.6	-175.1	12.5	69	0	0	0	0	114.9
639	E	34.1	Very low	33.9	Very low	175 Å²	175	137.3 Å²	137.3	82%	0.818	74%	0.74	S	S	*	*			trans	-79.4	172.1	171.4	-59.1	155.6	127.6	0	0	112.7
640	D	32.2	Very low	33.9	Very low	115 Å²	115	134 Å²	134	62%	0.615	74%	0.742	S	S	*	*			cis	-146.3	175.6	-3.6	-159.6	13.4	0	0	0	112.4
641	R	34	Very low	34.1	Very low	202 Å²	202	132.2 Å²	132.2	76%	0.762	74%	0.74	S	S	*	*			trans	-14.2	156.3	164.3	-70	163.1	178.5	119.9	-10.9	120.6
642	G	30.2	Very low	33.3	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	74%	0.739	S	S	*	*			cis	152.3	168.8	-5	0	0	0	0	0	116.2
643	H	37.2	Very low	32.2	Very low	158 Å²	158	134.9 Å²	134.9	73%	0.731	75%	0.75	S	S	*	*			trans	73.4	115.7	161.3	-55	-59.7	0	0	0	123.9
644	Q	33	Very low	32.3	Very low	145 Å²	145	130.3 Å²	130.3	68%	0.678	75%	0.748	S	S	*	*			trans	72.5	138.1	131.2	-73.6	-164.2	41.3	0	0	125
645	R	31.2	Very low	32.2	Very low	216 Å²	216	130.4 Å²	130.4	82%	0.815	76%	0.761	S	S	*	*			trans	80.8	119.6	145.9	-73.5	172.5	-160.4	-160.4	1.8	123.6
646	V	29.7	Very low	31	Very low	126 Å²	126	130.9 Å²	130.9	76%	0.764	77%	0.772	S	S	*	*				4.4	135.2	117.5	-175.7	0	0	0	0	116
647	P	43.8	Very low	30.9	Very low	116 Å²	116	126.3 Å²	126.3	75%	0.753	77%	0.77	S	S	*	*			cis	-123.3	177	46.5	6	21.4	0	0	0	114.8
648	S	29.1	Very low	31.6	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	77%	0.767	S	S	*	*				79.1	117.8	50.2	-43.5	0	0	0	0	117
649	D	28.2	Very low	31.6	Very low	157 Å²	157	126.8 Å²	126.8	84%	0.84	77%	0.77	S	S	*	*			trans	62.5	139.5	145.1	-63.4	-49.8	0	0	0	125.2
650	A	28.8	Very low	31.5	Very low	98 Å²	98	123.1 Å²	123.1	81%	0.81	76%	0.764	S	S	*	*			trans	85.3	156.3	142.3	0	0	0	0	0	122.6
651	A	27.1	Very low	31.5	Very low	91 Å²	91	124 Å²	124	75%	0.752	77%	0.768	S	S	*	*			trans	60.1	119	175.6	0	0	0	0	0	117.2
652	S	29	Very low	31.3	Very low	101 Å²	101	118.8 Å²	118.8	71%	0.706	76%	0.763	S	S	*	*			cis	75	111.5	39	87.2	0	0	0	0	115.3
653	N	28.7	Very low	31.4	Very low	170 Å²	170	121 Å²	121	91%	0.909	76%	0.764	S	S	*	*			trans	51.9	128.5	162.4	-53.9	-9.7	0	0	0	117.3
654	G	30.5	Very low	31.2	Very low	73 Å²	73	121.1 Å²	121.1	75%	0.753	76%	0.764	S	S	*	*			cis	147.5	164.9	9.8	0	0	0	0	0	109.9
655	A	29.5	Very low	31	Very low	112 Å²	112	120.5 Å²	120.5	93%	0.926	77%	0.765	S	S	*	*			trans	65.1	117.4	170.9	0	0	0	0	0	119.8
656	A	26.6	Very low	30.9	Very low	106 Å²	106	117.3 Å²	117.3	88%	0.876	76%	0.763	S	S	*	*			trans	-151.5	141.6	133.9	0	0	0	0	0	108.8
657	A	27.4	Very low	30.8	Very low	92 Å²	92	119.6 Å²	119.6	76%	0.76	77%	0.766	S	S	*	*			trans	-105.4	-172.5	173.1	0	0	0	0	0	110.1
658	P	44.3	Very low	31.1	Very low	115 Å²	115	119.7 Å²	119.7	75%	0.747	77%	0.766	S	S	*	*				-148.5	178.7	86.8	37	-18.2	0	0	0	115.9
659	V	29.4	Very low	30.8	Very low	133 Å²	133	119.3 Å²	119.3	81%	0.806	76%	0.763	S	S	*	*			trans	75.2	126.3	166.1	-169.2	0	0	0	0	116
660	S	31.6	Very low	30.6	Very low	98 Å²	98	119.2 Å²	119.2	69%	0.685	76%	0.762	S	S	*	*			cis	-176	157.9	-19.5	-100.1	0	0	0	0	107.8
661	D	31.6	Very low	30.4	Very low	133 Å²	133	119.4 Å²	119.4	71%	0.711	76%	0.756	S	S	*	*			cis	-161	160.6	-22.4	-146.4	-63.4	0	0	0	109.6
662	S	30.7	Very low	30.3	Very low	93 Å²	93	121.6 Å²	121.6	65%	0.65	76%	0.755	S	S	*	*			trans	60.1	105	152	-74.6	0	0	0	0	122.7
663	T	32.8	Very low	30.2	Very low	113 Å²	113	121.4 Å²	121.4	69%	0.693	76%	0.76	S	S	*	*				102.2	110.4	115.9	-58.4	0	0	0	0	121.6
664	Q	31.4	Very low	30	Very low	159 Å²	159	118.6 Å²	118.6	74%	0.743	75%	0.749	S	S	*	*			trans	85.5	124.6	145.9	-82.8	-176.5	77.9	0	0	124.7
665	L	29.3	Very low	30.1	Very low	132 Å²	132	123.2 Å²	123.2	69%	0.691	75%	0.751	S	S	*	*			trans	85.1	137.2	130.6	-72.9	179.9	0	0	0	124.6
666	L	30.3	Very low	30.1	Very low	150 Å²	150	123.1 Å²	123.1	79%	0.785	74%	0.735	S	S	*	*			trans	75.9	130.7	139.3	-70.7	165.4	0	0	0	123.5
667	Q	26.1	Very low	30.3	Very low	174 Å²	174	125 Å²	125	81%	0.813	73%	0.726	S	S	*	*				-84.1	162.9	129.7	-67.4	-178.2	-14.5	0	0	108.5
668	P	51.4	Low	30.5	Very low	117 Å²	117	126.1 Å²	126.1	76%	0.76	72%	0.723	S	S	*	*			cis	-122	-129.9	10.6	26.9	-0.5	0	0	0	110.6
669	S	23.1	Very low	29.7	Very low	88 Å²	88	129.3 Å²	129.3	62%	0.615	73%	0.725	S	S	*	*			cis	-169.9	151.7	4.1	20.5	0	0	0	0	113.7
670	L	23.2	Very low	29.7	Very low	156 Å²	156	127.2 Å²	127.2	82%	0.817	72%	0.722	S	S	*	*			trans	63.3	124.1	143.8	-66.3	165.4	0	0	0	122
671	C	24.8	Very low	29.5	Very low	101 Å²	101	126.8 Å²	126.8	68%	0.682	73%	0.725	S	S	*	*				82.2	139.6	128.2	-77.2	0	0	0	0	124.7
672	D	23.7	Very low	29.3	Very low	137 Å²	137	124.8 Å²	124.8	73%	0.733	73%	0.726	S	S	*	*			trans	55.9	104.6	141.9	-63.9	-56	0	0	0	122.8
673	A	26.8	Very low	29	Very low	98 Å²	98	126.6 Å²	126.6	81%	0.81	73%	0.734	S	S	*	*				-162.9	136.8	102.5	0	0	0	0	0	109.4
674	V	25.8	Very low	28.8	Very low	111 Å²	111	127.4 Å²	127.4	67%	0.673	74%	0.738	S	S	*	*			cis	89.6	129.8	26.2	-179.7	0	0	0	0	113.7
675	Q	31.7	Very low	29.4	Very low	169 Å²	169	124.9 Å²	124.9	79%	0.79	74%	0.735	S	S	*	*			trans	68.5	144.5	-175.5	-68.3	-175.3	-90.2	0	0	115.8
676	D	29.5	Very low	29.3	Very low	110 Å²	110	123.9 Å²	123.9	59%	0.588	74%	0.739	S	S	*	*			cis	-156.1	170.3	-10.8	-121.2	-29.7	0	0	0	107.1
677	Q	31.5	Very low	29.2	Very low	146 Å²	146	122.4 Å²	122.4	68%	0.682	74%	0.742	S	S	*	*			cis	-162	140.7	26.6	-147.5	156.3	80	0	0	112.2
678	T	31.8	Very low	29.3	Very low	116 Å²	116	117.3 Å²	117.3	71%	0.712	74%	0.736	S	S	*	*			trans	59.1	145.3	148.5	46.3	0	0	0	0	121.1
679	K	28.2	Very low	28.2	Very low	181 Å²	181	117.5 Å²	117.5	79%	0.787	74%	0.74	S	S	*	*			cis	-169.3	118.7	-6.4	-175.3	177.8	-178.1	178.2	0	105.9
680	A	29	Very low	28.5	Very low	90 Å²	90	117.5 Å²	117.5	74%	0.744	74%	0.74	S	S	*	*				55.5	139.6	84.9	0	0	0	0	0	115.1
681	A	27.9	Very low	28.7	Very low	89 Å²	89	117.3 Å²	117.3	74%	0.736	74%	0.74	S	S	*	*			cis	-172	167.2	-9.6	0	0	0	0	0	110.5
682	A	26.3	Very low	28.7	Very low	90 Å²	90	118.8 Å²	118.8	74%	0.744	75%	0.746	S	S	*	*			trans	61.2	157.3	153.7	0	0	0	0	0	118
683	T	25.2	Very low	29.6	Very low	132 Å²	132	117.4 Å²	117.4	81%	0.81	75%	0.745	S	S	*	*			cis	-157.4	155	33.3	-42.7	0	0	0	0	112.6
684	V	28.8	Very low	29.7	Very low	129 Å²	129	119 Å²	119	78%	0.782	74%	0.744	S	S	*	*			trans	-65.8	-175.3	161.9	-111.5	0	0	0	0	111.4
685	P	43.2	Very low	29.8	Very low	106 Å²	106	121.8 Å²	121.8	69%	0.688	75%	0.75	S	S	*	*			cis	-148.2	179.2	25.5	45.3	-24.9	0	0	0	119.9
686	S	27.7	Very low	30.5	Very low	111 Å²	111	119 Å²	119	78%	0.776	75%	0.747	S	S	*	*			trans	68	147	148.9	-70	0	0	0	0	119.8
687	S	28.5	Very low	30.5	Very low	119 Å²	119	118.4 Å²	118.4	83%	0.832	76%	0.757	S	S	*	*			cis	-169.4	155.5	-7.8	44.5	0	0	0	0	108.8
688	G	27.1	Very low	30.2	Very low	68 Å²	68	122.5 Å²	122.5	70%	0.701	77%	0.766	S	S	*	*			cis	158.4	170.9	-1.4	0	0	0	0	0	110.9
689	S	28.8	Very low	30.2	Very low	121 Å²	121	124.2 Å²	124.2	85%	0.846	77%	0.771	S	S	*	*			trans	72.5	142	174.3	-162.1	0	0	0	0	116.7
690	S	28.5	Very low	30.9	Very low	87 Å²	87	119.8 Å²	119.8	61%	0.608	76%	0.761	S	S	*	*			cis	-166.5	173.8	-20.4	49.6	0	0	0	0	111.6
691	N	27.1	Very low	30.9	Very low	153 Å²	153	125 Å²	125	82%	0.818	77%	0.767	S	S	*	*			trans	78.9	154.1	159.9	-63.1	-16.2	0	0	0	120.9
692	T	25.4	Very low	31	Very low	131 Å²	131	128 Å²	128	80%	0.804	77%	0.771	S	S	*	*			trans	-128.1	-174.1	178.3	65.1	0	0	0	0	107.6
693	P	43.4	Very low	31.2	Very low	109 Å²	109	130 Å²	130	71%	0.708	77%	0.769	S	S	*	*			cis	-132.9	-155.6	-8.4	36.4	-15.4	0	0	0	112.9
694	T	27.4	Very low	31.6	Very low	130 Å²	130	130 Å²	130	80%	0.798	76%	0.764	S	S	*	*			trans	108.2	136	148.7	-17.6	0	0	0	0	118.9
695	Q	29.4	Very low	31.8	Very low	170 Å²	170	130.5 Å²	130.5	79%	0.794	76%	0.762	S	S	*	*			trans	-136.7	176.5	176.8	-87.5	-90.5	2.3	0	0	105.9
696	P	46.6	Very low	31	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	77%	0.768	S	S	*	*			cis	-127.5	-173.4	-15.1	40.8	-25.9	0	0	0	112.2
697	A	28.8	Very low	31.1	Very low	96 Å²	96	133.9 Å²	133.9	79%	0.793	77%	0.765	S	S	*	*			trans	-158.3	137	149.2	0	0	0	0	0	113
698	W	24.7	Very low	31.2	Very low	232 Å²	232	135 Å²	135	88%	0.879	76%	0.762	S	S	*	*			trans	-106.9	139.5	156.3	-91	58.2	0	0	0	107.8
699	N	32.5	Very low	31.3	Very low	152 Å²	152	142 Å²	142	81%	0.813	77%	0.773	S	S	*	*				-168.8	156.6	113.3	-118.1	13	0	0	0	112.6
700	P	42.5	Very low	31.3	Very low	88 Å²	88	142.4 Å²	142.4	57%	0.571	77%	0.771	S	S	*	*			trans	-109.9	118	-178.2	36	-24.4	0	0	0	113
701	F	29.1	Very low	31.4	Very low	200 Å²	200	141.7 Å²	141.7	88%	0.877	77%	0.771	S	S	*	*			trans	-160.8	169.5	154.4	-90	-63.4	0	0	0	108.7
702	D	30.1	Very low	31.5	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	77%	0.771	S	S	*	*			trans	68	141	179.5	-55	-20.5	0	0	0	117.5
703	N	30.3	Very low	31.7	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	77%	0.771	S	S	*	*			cis	-154.5	173.7	-35.9	-155.7	35.8	0	0	0	111.3
704	D	33.4	Very low	30.9	Very low	132 Å²	132	142.9 Å²	142.9	71%	0.706	78%	0.776	S	S	*	*			trans	-15.4	155.6	168	-62.6	-47.1	0	0	0	122
705	N	32.4	Very low	31	Very low	140 Å²	140	146.1 Å²	146.1	75%	0.749	78%	0.779	S	S	*	*			trans	98.9	102.7	136.1	-119.1	11.3	0	0	0	121.2
706	F	26.4	Very low	30.9	Very low	186 Å²	186	141.3 Å²	141.3	82%	0.816	77%	0.768	S	S	*	*				41.4	142	120.8	-83.5	-97.2	0	0	0	123
707	S	30	Very low	30.2	Very low	102 Å²	102	143.2 Å²	143.2	71%	0.713	77%	0.773	S	S	*	*			trans	76.7	135.8	160	-49	0	0	0	0	115.3
708	N	31	Very low	30.2	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	77%	0.765	S	S	*	*			cis	-138.8	153.1	23.9	-93.5	-43.9	0	0	0	113.4
709	F	28.6	Very low	30.5	Very low	213 Å²	213	140.5 Å²	140.5	93%	0.934	75%	0.754	S	S	*	*			trans	-81.9	132.8	147.8	-96.4	-96.8	0	0	0	108.8
710	T	30.6	Very low	30.3	Very low	130 Å²	130	141.7 Å²	141.7	80%	0.798	75%	0.753	S	S	*	*			trans	-132.7	141.2	163.8	-58.9	0	0	0	0	108.6
711	A	29.8	Very low	29.7	Very low	73 Å²	73	142.3 Å²	142.3	60%	0.603	76%	0.759	S	S	*	*			trans	-88.1	173.3	-161.8	0	0	0	0	0	115.8
712	D	29.3	Very low	29.7	Very low	156 Å²	156	138.5 Å²	138.5	83%	0.834	76%	0.757	S	S	*	*			trans	71	133.3	153.2	-57.1	-40	0	0	0	120.6
713	G	28.6	Very low	29.7	Very low	77 Å²	77	134.5 Å²	134.5	79%	0.794	75%	0.752	S	S	*	*			trans	-173.9	34.2	-173.9	0	0	0	0	0	117.5
714	F	27.7	Very low	29.7	Very low	185 Å²	185	137.6 Å²	137.6	81%	0.811	76%	0.759	S	S	*	*			trans	-8.4	148.4	168.6	-92.1	-88.3	0	0	0	122.5
715	K	28.3	Very low	29.7	Very low	197 Å²	197	136.8 Å²	136.8	86%	0.857	75%	0.753	S	S	*	*			trans	80.4	155.1	159.2	-68.2	174.1	-179.8	-178.8	0	118.1
716	A	29.4	Very low	29.5	Very low	70 Å²	70	135 Å²	135	58%	0.579	75%	0.748	S	S	*	*			cis	-170.5	173.8	-22.9	0	0	0	0	0	110.2
717	D	29.9	Very low	29.7	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	74%	0.741	S	S	*	*			trans	70	147.4	162.1	-48.7	-37.7	0	0	0	116.8
718	D	29.3	Very low	29.7	Very low	118 Å²	118	134.6 Å²	134.6	63%	0.631	74%	0.743	S	S	*	*			cis	-159.8	169	1.4	-147.8	-17.8	0	0	0	114.9
719	K	31.2	Very low	29.8	Very low	152 Å²	152	134.2 Å²	134.2	66%	0.661	75%	0.745	S	S	*	*			trans	66.5	119.1	148.4	-84.3	169	-173.6	79.2	0	124.3
720	K	28.9	Very low	29.9	Very low	178 Å²	178	128.8 Å²	128.8	77%	0.774	73%	0.734	S	S	*	*				73.8	116.2	129.4	-77.9	-173.4	174.3	-171.9	0	120.1
721	S	30.2	Very low	29.8	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	73%	0.733	S	S	*	*				79.1	139	72.6	80.5	0	0	0	0	113.7
722	S	28.9	Very low	29.8	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	73%	0.734	S	S	*	*			cis	-166.7	165.3	12.6	43.9	0	0	0	0	108.9
723	G	29.3	Very low	29.8	Very low	68 Å²	68	131.4 Å²	131.4	70%	0.701	73%	0.734	S	S	*	*			cis	142.2	166.5	2.6	0	0	0	0	0	111.4
724	K	31.1	Very low	29.8	Very low	196 Å²	196	136.3 Å²	136.3	85%	0.852	74%	0.737	S	S	*	*			trans	69.9	157.5	170.5	-78.8	-171.4	143.6	-165.3	0	116.2
725	I	32.3	Very low	29.5	Very low	114 Å²	114	133.4 Å²	133.4	59%	0.585	73%	0.734	S	S	*	*			cis	-154	148.7	5.4	-136.3	170.8	0	0	0	113.5
726	T	29.3	Very low	30.7	Very low	103 Å²	103	129.4 Å²	129.4	63%	0.632	73%	0.728	S	S	*	*			trans	54.7	157.3	155.4	60.7	0	0	0	0	122.9
727	D	29.4	Very low	30.6	Very low	125 Å²	125	130.9 Å²	130.9	67%	0.668	74%	0.735	S	S	*	*			cis	159.1	155.7	-25.5	-81.6	-21.3	0	0	0	105.4
728	M	29.6	Very low	30.6	Very low	155 Å²	155	131.8 Å²	131.8	76%	0.764	73%	0.734	S	S	*	*			cis	-172.1	168.4	-13.7	-102.5	-176.8	-170.5	0	0	107.2
729	V	33.9	Very low	30.8	Very low	135 Å²	135	133.8 Å²	133.8	82%	0.818	74%	0.74	S	S	*	*			trans	70.2	143.8	153.1	158.3	0	0	0	0	116.5
730	S	30.3	Very low	30.7	Very low	99 Å²	99	133.2 Å²	133.2	69%	0.692	74%	0.743	S	S	*	*			cis	-178.3	173.9	-10.3	-93.1	0	0	0	0	107.2
731	D	29	Very low	31.4	Very low	144 Å²	144	131.8 Å²	131.8	77%	0.77	74%	0.742	S	S	*	*			cis	-176.9	-176.4	-25.7	-166.1	-3.3	0	0	0	106.5
732	S	29.6	Very low	31.7	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	75%	0.745	S	S	*	*			trans	77.9	92.2	163	-54.3	0	0	0	0	120.9
733	E	29.8	Very low	31.7	Very low	179 Å²	179	130 Å²	130	84%	0.836	74%	0.737	S	S	*	*				68.9	135.4	110.3	-75.9	-174.4	148.5	0	0	126.4
734	E	27.5	Very low	31.8	Very low	180 Å²	180	134.6 Å²	134.6	84%	0.841	75%	0.745	S	S	*	*			trans	76.8	169.8	147.6	-65.6	-142.9	142.9	0	0	123.6
735	T	23.3	Very low	31.6	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	74%	0.743	S	S	*	*			trans	-131.9	-166.5	-157.9	66.7	0	0	0	0	109.9
736	P	52.3	Low	31.3	Very low	112 Å²	112	132.2 Å²	132.2	73%	0.727	75%	0.748	S	S	*	*			cis	-135.8	-156.4	-9.8	39.4	-17.8	0	0	0	114.2
737	S	27.5	Very low	31.1	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	75%	0.754	S	S	*	*			trans	91.9	165.9	149.1	-82.5	0	0	0	0	124
738	E	29.2	Very low	31	Very low	170 Å²	170	131.6 Å²	131.6	79%	0.794	76%	0.758	S	S	*	*			trans	-114.1	-179.4	-150.9	-41.6	96.1	124.3	0	0	115.2
739	E	34.7	Very low	30.9	Very low	161 Å²	161	130 Å²	130	75%	0.752	76%	0.757	S	S	*	*			cis	-130.8	-109.7	1.4	-165.1	-152.2	120.2	0	0	111.7
740	L	29.1	Very low	30.5	Very low	139 Å²	139	131.4 Å²	131.4	73%	0.728	75%	0.754	S	S	*	*			cis	-157.4	144	-6.2	-146	-176.6	0	0	0	110.5
741	I	42.6	Very low	30.2	Very low	148 Å²	148	132.3 Å²	132.3	76%	0.759	75%	0.752	S	S	*	*			trans	-109.3	131.8	-179	-58.7	177	0	0	0	115.9
742	P	37.2	Very low	30.1	Very low	119 Å²	119	130.6 Å²	130.6	77%	0.773	75%	0.746	S	S	*	*			trans	-125.4	172.1	152.6	38.9	-27.3	0	0	0	113.2
743	G	29.5	Very low	30	Very low	65 Å²	65	130.9 Å²	130.9	67%	0.67	75%	0.749	S	S	*	*			cis	151.9	116.2	-14	0	0	0	0	0	115.6
744	L	31.4	Very low	29.9	Very low	164 Å²	164	129.8 Å²	129.8	86%	0.859	74%	0.743	S	S	*	*			trans	68.9	155.5	159.3	-58.7	178.5	0	0	0	118.9
745	Q	26.9	Very low	30.2	Very low	176 Å²	176	128 Å²	128	82%	0.822	74%	0.735	S	S	*	*			cis	-168.2	-171.7	-28.5	-151.6	178.3	7.6	0	0	110.3
746	A	25	Very low	30.6	Very low	84 Å²	84	128.2 Å²	128.2	69%	0.694	73%	0.732	S	S	*	*			trans	86.1	125.1	176.9	0	0	0	0	0	116.3
747	S	26.3	Very low	29.5	Very low	106 Å²	106	126 Å²	126	74%	0.741	73%	0.73	S	S	*	*			cis	90.2	130.9	36.1	76.2	0	0	0	0	113.8
748	S	26.7	Very low	29.7	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	73%	0.734	S	S	*	*			cis	-169.9	-168.4	1.8	-87	0	0	0	0	110.6
749	V	27.1	Very low	30	Very low	120 Å²	120	126.4 Å²	126.4	73%	0.727	73%	0.727	S	S	*	*			trans	102.6	110.2	147.7	-171.1	0	0	0	0	120.8
750	E	24.6	Very low	30	Very low	165 Å²	165	126.9 Å²	126.9	77%	0.771	73%	0.727	S	S	*	*			trans	61.3	163.4	143.2	-68.6	-175.9	-178.8	0	0	123.3
751	N	25.6	Very low	30.2	Very low	119 Å²	119	124.6 Å²	124.6	64%	0.636	72%	0.723	S	S	*	*			cis	-160.2	161.4	-8.9	-123.3	-33	0	0	0	115.3
752	T	26.3	Very low	29.7	Very low	107 Å²	107	126.4 Å²	126.4	66%	0.656	73%	0.728	S	S	*	*			trans	33.2	165.9	151.3	9.8	0	0	0	0	123.8
753	S	27.2	Very low	29.5	Very low	98 Å²	98	132.1 Å²	132.1	69%	0.685	73%	0.734	S	S	*	*			cis	-162.3	146.2	15.9	-2.9	0	0	0	0	111.8
754	Q	28.6	Very low	30.3	Very low	155 Å²	155	134.3 Å²	134.3	72%	0.724	74%	0.737	S	S	*	*				72.3	147.2	90.5	-82.6	172.8	-74.4	0	0	118.7
755	E	32.4	Very low	30.3	Very low	142 Å²	142	132.1 Å²	132.1	66%	0.664	74%	0.735	S	S	*	*			cis	-171	172	-8.5	-151.7	-179.1	113.7	0	0	115.2
756	N	31.5	Very low	30.6	Very low	131 Å²	131	127.8 Å²	127.8	70%	0.701	73%	0.729	S	S	*	*			trans	80.5	157.2	159.9	-80.5	-69.9	0	0	0	122.7
757	G	29.4	Very low	30.8	Very low	66 Å²	66	131.4 Å²	131.4	68%	0.68	74%	0.735	S	S	*	*			cis	162.9	171.3	-10.7	0	0	0	0	0	117.7
758	I	33.3	Very low	31.1	Very low	158 Å²	158	133.7 Å²	133.7	81%	0.81	74%	0.738	S	S	*	*			trans	86.9	96.6	151.8	-53.4	179.9	0	0	0	123.3
759	D	34.7	Very low	31.1	Very low	122 Å²	122	134.7 Å²	134.7	65%	0.652	74%	0.735	S	S	*	*				80.6	127.7	114.9	-138.3	26.1	0	0	0	128.7
760	K	33.7	Very low	31.4	Very low	170 Å²	170	134 Å²	134	74%	0.739	74%	0.735	S	S	*	*			trans	77.3	128.1	135	-97.6	176.5	-152	82.6	0	130.8
761	S	33.6	Very low	31.6	Very low	92 Å²	92	129.8 Å²	129.8	64%	0.643	74%	0.736	S	S	*	*				95.1	127.9	125.9	-125.6	0	0	0	0	128.1
762	E	32.9	Very low	31.8	Very low	186 Å²	186	129.3 Å²	129.3	87%	0.869	75%	0.749	S	S	*	*			trans	90.3	171	133.2	-92.7	167.9	126.5	0	0	128.1
763	R	32.7	Very low	32	Very low	239 Å²	239	129.6 Å²	129.6	90%	0.902	76%	0.755	S	S	*	*			trans	-105.5	174.5	-157	-104.6	177.3	179.1	165.6	-0.6	113
764	P	45.5	Very low	32.1	Very low	111 Å²	111	133.2 Å²	133.2	72%	0.721	77%	0.766	S	S	*	*			cis	-154.4	179	40.2	44.6	-22.7	0	0	0	120.6
765	S	32.1	Very low	32.2	Very low	118 Å²	118	133.1 Å²	133.1	83%	0.825	77%	0.77	S	S	*	*			trans	47.8	147.4	144.8	-64.7	0	0	0	0	123.9
766	A	34.2	Very low	32	Very low	84 Å²	84	132.2 Å²	132.2	69%	0.694	77%	0.774	S	S	*	*			cis	-170.7	177.3	-10.3	0	0	0	0	0	111.1
767	I	29.1	Very low	32.3	Very low	161 Å²	161	131.9 Å²	131.9	83%	0.826	78%	0.776	S	S	*	*			trans	76.7	149.5	167.3	-62.8	171.5	0	0	0	115.6
768	L	30.9	Very low	32.8	Very low	154 Å²	154	134.5 Å²	134.5	81%	0.806	78%	0.781	S	S	*	*			cis	-172.3	167.1	-32.3	-84.8	-173.1	0	0	0	105.9
769	D	27.6	Very low	32.8	Very low	131 Å²	131	133.7 Å²	133.7	70%	0.701	78%	0.778	S	S	*	*			cis	-172	166.2	-33.4	-177.7	46.3	0	0	0	110.7
770	S	33.5	Very low	33.5	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	78%	0.777	S	S	*	*			trans	45.5	123.4	159.9	-71.5	0	0	0	0	122.7
771	G	28.1	Very low	33.5	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	78%	0.781	S	S	*	*			trans	173.8	86	160.2	0	0	0	0	0	119.5
772	A	31.1	Very low	33.3	Very low	110 Å²	110	137.6 Å²	137.6	91%	0.909	79%	0.791	S	S	*	*			trans	60.3	131.2	155.6	0	0	0	0	0	121.8
773	S	29.5	Very low	33.2	Very low	113 Å²	113	134 Å²	134	79%	0.79	78%	0.782	S	S	*	*			trans	-80.3	154.5	173.8	-39.8	0	0	0	0	113.7
774	L	30	Very low	33.1	Very low	173 Å²	173	130.5 Å²	130.5	91%	0.906	78%	0.78	S	S	*	*				-164.7	145.6	115.2	-103.6	169.4	0	0	0	110.8
775	L	30.3	Very low	32.3	Very low	153 Å²	153	133 Å²	133	80%	0.801	78%	0.781	S	S	*	*			trans	-113	134.8	-172.1	-74.4	170.8	0	0	0	112.3
776	V	27.7	Very low	32.1	Very low	124 Å²	124	134.8 Å²	134.8	75%	0.752	78%	0.781	S	S	*	*				59	139.6	127.9	-174.1	0	0	0	0	120.3
777	V	38.8	Very low	31.8	Very low	124 Å²	124	136.8 Å²	136.8	75%	0.752	79%	0.79	S	S	*	*			trans	-44.7	160.6	168	-141.6	0	0	0	0	113.9
778	P	40.5	Very low	31.8	Very low	120 Å²	120	136.3 Å²	136.3	78%	0.779	79%	0.789	S	S	*	*				-148.1	171.7	101.4	42.3	-28	0	0	0	116.3
779	D	32.6	Very low	31.9	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	78%	0.781	S	S	*	*			trans	-73.4	-169.6	154.4	-148	22.8	0	0	0	108.8
780	P	49.3	Very low	33.1	Very low	95 Å²	95	131.9 Å²	131.9	62%	0.617	78%	0.784	S	S	*	*			cis	-141.5	-158.7	-3.9	45	-24.2	0	0	0	114.9
781	F	33.2	Very low	33	Very low	188 Å²	188	136.1 Å²	136.1	83%	0.825	79%	0.792	S	S	*	*			trans	-1.5	129.1	160.7	-69.5	-83.7	0	0	0	120.5
782	H	29.1	Very low	33.4	Very low	183 Å²	183	142.1 Å²	142.1	85%	0.847	80%	0.796	S	S	*	*				-171.3	-167.9	107.3	-120.9	-53.7	0	0	0	115.9
783	T	32.5	Very low	33.4	Very low	111 Å²	111	144.5 Å²	144.5	68%	0.681	79%	0.792	S	S	*	*			trans	-122.3	139.6	-157.9	-37.4	0	0	0	0	113
784	L	29.8	Very low	33.8	Very low	164 Å²	164	145.5 Å²	145.5	86%	0.859	79%	0.788	S	S	*	*			trans	-158.7	141	148.3	-71.2	-173	0	0	0	106.7
785	E	27.6	Very low	33.9	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.762	78%	0.784	S	S	*	*			cis	94.8	120.7	40.8	-102.7	-160.4	161.6	0	0	116.8
786	L	28.6	Very low	33.9	Very low	156 Å²	156	141.1 Å²	141.1	82%	0.817	77%	0.774	S	S	*	*			trans	59.5	119.5	152.4	-64.3	166.1	0	0	0	122.7
787	S	27.5	Very low	34.1	Very low	127 Å²	127	143.3 Å²	143.3	89%	0.888	78%	0.781	S	S	*	*				-165.9	160.8	129.4	-164	0	0	0	0	110.7
788	D	29.2	Very low	33.7	Very low	151 Å²	151	146.8 Å²	146.8	81%	0.807	79%	0.786	S	S	*	*			trans	-147.9	156.7	-169.8	-166.5	13.2	0	0	0	113.9
789	A	32.5	Very low	33.6	Very low	77 Å²	77	145.9 Å²	145.9	64%	0.636	78%	0.782	S	S	*	*			trans	76.4	175.6	154.9	0	0	0	0	0	119.2
790	P	53.2	Low	34.5	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	78%	0.779	S	S	*	*				-149.2	155	-102	40.3	-18.4	0	0	0	119.9
791	E	31.5	Very low	33.6	Very low	193 Å²	193	146.3 Å²	146.3	90%	0.902	79%	0.785	S	S	*	*			trans	-140.1	128.9	156.4	-62.7	-168.7	134.5	0	0	109.2
792	K	36.8	Very low	33.6	Very low	203 Å²	203	143.2 Å²	143.2	88%	0.883	78%	0.782	S	S	*	*			cis	83.4	111.1	46.2	-88.1	-157.9	172.4	-172.7	0	116
793	L	30.9	Very low	33.5	Very low	159 Å²	159	139.9 Å²	139.9	83%	0.832	78%	0.779	S	S	*	*			trans	-159.8	117.2	146.4	-100.9	174.1	0	0	0	111.3
794	I	39.1	Very low	33.4	Very low	135 Å²	135	139.3 Å²	139.3	69%	0.692	78%	0.779	S	S	*	*			trans	47.6	118.3	140.4	-67.2	176.9	0	0	0	119.1
795	E	30.2	Very low	33.5	Very low	175 Å²	175	138.2 Å²	138.2	82%	0.818	77%	0.774	S	S	*	*				79.4	136.2	52.7	-175	-179.5	-152.6	0	0	113.7
796	G	31.3	Very low	33.7	Very low	58 Å²	58	138.5 Å²	138.5	60%	0.598	78%	0.777	S	S	*	*			cis	173.4	-168.4	-3.5	0	0	0	0	0	113.1
797	L	31.3	Very low	34.1	Very low	171 Å²	171	138.6 Å²	138.6	90%	0.895	78%	0.778	S	S	*	*			trans	73.6	151.6	174.8	-44.7	179.4	0	0	0	115.8
798	K	31.9	Very low	35.1	Very low	197 Å²	197	138.9 Å²	138.9	86%	0.857	78%	0.776	S	S	*	*			cis	-152.2	135.3	19.8	-172.3	171.5	178.7	177	0	113.7
799	S	37.4	Very low	35.1	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	77%	0.774	S	S	*	*			trans	-90.3	179	172	-34.6	0	0	0	0	111.8
800	P	50.9	Low	35.1	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	78%	0.777	S	S	*	*				-150.6	156.9	59	39.9	-18.5	0	0	0	119.3
801	D	31.1	Very low	33.9	Very low	139 Å²	139	143 Å²	143	74%	0.743	78%	0.78	S	S	*	*				38.7	143.6	128.4	-42.9	-32.5	0	0	0	122
802	T	32.4	Very low	33.7	Very low	123 Å²	123	138.7 Å²	138.7	76%	0.755	77%	0.771	S	S	*	*				-171.4	148.7	68.5	29.6	0	0	0	0	114.5
803	S	28.6	Very low	33.4	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	77%	0.767	S	S	*	*			trans	51.4	144.9	144.7	-50.6	0	0	0	0	121
804	S	29.3	Very low	33.4	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	76%	0.763	S	S	*	*			cis	-170.8	144.2	33.1	-155.3	0	0	0	0	114.4
805	L	32.9	Very low	33.2	Very low	141 Å²	141	134.2 Å²	134.2	74%	0.738	77%	0.767	S	S	*	*			trans	46.7	119.4	143.9	-63.1	172.8	0	0	0	124.8
806	M	32	Very low	34.1	Very low	169 Å²	169	130.2 Å²	130.2	83%	0.833	76%	0.756	S	S	*	*				80.5	140.3	124.8	-62.2	-63.1	168.1	0	0	124.2
807	L	35.3	Very low	34.1	Very low	159 Å²	159	137.2 Å²	137.2	83%	0.832	77%	0.77	S	S	*	*			trans	-87.4	162.3	159.5	-75.2	159.2	0	0	0	110.7
808	P	48.8	Very low	34	Very low	132 Å²	132	133 Å²	133	86%	0.857	77%	0.768	S	S	*	*				-138.1	-158.8	111.4	40.2	-28.6	0	0	0	113.6
809	D	30.7	Very low	33.8	Very low	143 Å²	143	127.4 Å²	127.4	77%	0.765	77%	0.767	S	S	*	*			trans	-133.7	171.2	-154.9	-159	-8.8	0	0	0	112.5
810	L	31.2	Very low	33.6	Very low	134 Å²	134	127.9 Å²	127.9	70%	0.702	77%	0.77	S	S	*	*			trans	77.7	118.4	165.1	-54.6	176.1	0	0	0	122.7
811	L	28.9	Very low	32.8	Very low	153 Å²	153	128.5 Å²	128.5	80%	0.801	77%	0.771	S	S	*	*				61	116.4	124.9	-62.1	177	0	0	0	124.8
812	S	27.7	Very low	32.8	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	78%	0.775	S	S	*	*				88.4	155	124.6	-152	0	0	0	0	122.4
813	L	30.6	Very low	32.9	Very low	152 Å²	152	128.4 Å²	128.4	80%	0.796	77%	0.767	S	S	*	*			trans	69.8	145.3	170.5	-51.1	177.7	0	0	0	117.6
814	S	29.5	Very low	33	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	77%	0.765	S	S	*	*			cis	-164.6	162.1	-24.3	-108.6	0	0	0	0	112
815	D	35.2	Very low	32.9	Very low	145 Å²	145	133.3 Å²	133.3	78%	0.775	77%	0.772	S	S	*	*			trans	-74	152	170.1	175.3	56	0	0	0	113.8
816	P	49.9	Very low	32.7	Very low	90 Å²	90	131.4 Å²	131.4	58%	0.584	77%	0.766	S	S	*	*			trans	-135	137.3	165.5	38.8	-22.9	0	0	0	117.1
817	F	30.5	Very low	32.5	Very low	205 Å²	205	131.6 Å²	131.6	90%	0.899	77%	0.765	S	S	*	*			trans	79.1	126	167.6	-52.3	-79.1	0	0	0	118.8
818	G	29.7	Very low	32.3	Very low	82 Å²	82	131.1 Å²	131.1	85%	0.845	76%	0.763	S	S	*	*			cis	158.7	137.3	-13.6	0	0	0	0	0	116.8
819	G	27.1	Very low	32.2	Very low	81 Å²	81	130 Å²	130	84%	0.835	76%	0.756	S	S	*	*			trans	100.6	156.8	163	0	0	0	0	0	117.3
820	S	33.3	Very low	32.1	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	76%	0.757	S	S	*	*			cis	-166.8	164.2	-17.4	-154.2	0	0	0	0	112.7
821	V	34.3	Very low	31.9	Very low	120 Å²	120	129.8 Å²	129.8	73%	0.727	76%	0.759	S	S	*	*			trans	62	117.4	164	-63.2	0	0	0	0	123.5
822	E	31.8	Very low	31.9	Very low	173 Å²	173	127.1 Å²	127.1	81%	0.808	76%	0.759	S	S	*	*				59.1	149.4	128.6	-59.9	-148.1	81	0	0	124.4
823	S	34	Very low	31.9	Very low	86 Å²	86	129.1 Å²	129.1	60%	0.601	76%	0.762	S	S	*	*			cis	-174.1	169.2	-18.3	-89.7	0	0	0	0	111.2
824	V	30.7	Very low	31.8	Very low	122 Å²	122	128.5 Å²	128.5	74%	0.739	76%	0.759	S	S	*	*			trans	91.7	104.4	152.8	-164.2	0	0	0	0	122
825	K	27.1	Very low	31.9	Very low	193 Å²	193	127.5 Å²	127.5	84%	0.839	75%	0.752	S	S	*	*			trans	70.2	154.5	145	-70.9	-174.2	174.7	-175.9	0	120.6
826	V	27.8	Very low	31.7	Very low	102 Å²	102	128 Å²	128	62%	0.618	75%	0.754	S	S	*	*			cis	-154.1	142	1.7	105	0	0	0	0	114.9
827	Q	28	Very low	30.9	Very low	172 Å²	172	131.4 Å²	131.4	80%	0.804	77%	0.767	S	S	*	*			trans	45.7	122.8	151.1	-69	168.3	-96.6	0	0	125.2
828	D	32.2	Very low	30.7	Very low	149 Å²	149	125 Å²	125	80%	0.797	76%	0.759	S	S	*	*			trans	-52.5	153.3	138.5	-71	-64.4	0	0	0	112.7
829	P	46.6	Very low	30.8	Very low	108 Å²	108	126 Å²	126	70%	0.701	75%	0.753	S	S	*	*				-156	143.4	87.3	38.8	-17.9	0	0	0	119.7
830	L	27.3	Very low	30.9	Very low	151 Å²	151	129.8 Å²	129.8	79%	0.791	75%	0.753	S	S	*	*				67.2	139.6	128.8	-65.1	172.9	0	0	0	124.4
831	T	27.1	Very low	30.9	Very low	123 Å²	123	131.8 Å²	131.8	76%	0.755	75%	0.753	S	S	*	*			trans	70.9	133.3	138.3	48.5	0	0	0	0	123.2
832	A	28.8	Very low	30.5	Very low	97 Å²	97	131.5 Å²	131.5	80%	0.802	76%	0.757	S	S	*	*			trans	67.2	168.4	138.3	0	0	0	0	0	118.8
833	D	28.9	Very low	30.3	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	75%	0.752	S	S	*	*			cis	-175.3	160.7	-41.6	-158.7	-11.2	0	0	0	105
834	D	28.2	Very low	31.7	Very low	139 Å²	139	128.4 Å²	128.4	74%	0.743	76%	0.762	S	S	*	*			trans	54.6	-177.3	173.2	-89.1	-41	0	0	0	116.2
835	S	32.3	Very low	32.9	Very low	85 Å²	85	128.8 Å²	128.8	59%	0.594	77%	0.767	S	S	*	*				-178.3	134.7	-55.7	-89.5	0	0	0	0	106.8
836	L	30.8	Very low	33.2	Very low	156 Å²	156	124.1 Å²	124.1	82%	0.817	77%	0.765	S	S	*	*			trans	67.1	136.8	149.7	-63.5	168.5	0	0	0	123
837	L	32.1	Very low	33.6	Very low	162 Å²	162	123.7 Å²	123.7	85%	0.848	77%	0.772	S	S	*	*			trans	78.9	150.1	141.5	-72.1	164.4	0	0	0	123
838	G	26.8	Very low	34.6	Very low	71 Å²	71	121.6 Å²	121.6	73%	0.732	77%	0.773	S	S	*	*			trans	109	89.2	171	0	0	0	0	0	114.6
839	S	32.7	Very low	34.4	Very low	102 Å²	102	117.9 Å²	117.9	71%	0.713	77%	0.77	S	S	*	*			cis	91.3	106.1	35.4	-54.8	0	0	0	0	116
840	L	27.6	Very low	33.7	Very low	160 Å²	160	118.4 Å²	118.4	84%	0.838	78%	0.776	S	S	*	*			trans	-142.3	115.1	152.7	-68.2	178.2	0	0	0	106.3
841	I	33.4	Very low	33.9	Very low	152 Å²	152	115.6 Å²	115.6	78%	0.779	78%	0.775	S	S	*	*				70.8	119	84.1	-68	175.1	0	0	0	110.9
842	S	27.3	Very low	34.1	Very low	115 Å²	115	115.8 Å²	115.8	80%	0.804	78%	0.776	S	S	*	*			cis	-145	169.9	21.8	-63.9	0	0	0	0	114.7
843	G	27	Very low	34.3	Very low	68 Å²	68	115.5 Å²	115.5	70%	0.701	77%	0.768	S	S	*	*			trans	-120	-145.6	150.4	0	0	0	0	0	109.4
844	P	63	Low	34.4	Very low	126 Å²	126	114 Å²	114	82%	0.818	77%	0.768	S	S	*	*			cis	-118.3	-166.9	-21.5	43.2	-28.2	0	0	0	110.1
845	P	56	Low	34.4	Very low	129 Å²	129	113.6 Å²	113.6	84%	0.838	77%	0.771	S	S	*	*			cis	-122.9	-147.9	13.2	32.8	-6.2	0	0	0	112
846	A	33.1	Very low	34.2	Very low	96 Å²	96	114.3 Å²	114.3	79%	0.793	78%	0.776	S	S	*	*			cis	-155.1	-168.5	12.6	0	0	0	0	0	113.8
847	A	37.2	Very low	34.1	Very low	93 Å²	93	112.3 Å²	112.3	77%	0.769	78%	0.775	S	S	*	*			trans	-157.9	179.7	-169.2	0	0	0	0	0	110.5
848	P	48.3	Very low	34.2	Very low	128 Å²	128	108.8 Å²	108.8	83%	0.831	77%	0.769	S	S	*	*			cis	-146.9	160.1	16.4	42.3	-21.9	0	0	0	121.3
849	G	27.4	Very low	34.9	Very low	71 Å²	71	110.9 Å²	110.9	73%	0.732	77%	0.77	S	S	*	*			trans	80.4	169.8	146.8	0	0	0	0	0	119.7
850	S	32.8	Very low	34.7	Very low	118 Å²	118	111.6 Å²	111.6	83%	0.825	77%	0.77	S	S	*	*			cis	-175.3	143.1	-22.8	-97.2	0	0	0	0	111.6
851	A	31.2	Very low	34.7	Very low	93 Å²	93	109 Å²	109	77%	0.769	77%	0.765	S	S	*	*			trans	65.6	158.2	162.6	0	0	0	0	0	117.5
852	T	31	Very low	34.5	Very low	127 Å²	127	107 Å²	107	78%	0.779	76%	0.761	S	S	*	*			cis	-174.7	162.2	-13	25.1	0	0	0	0	107.6
853	S	32.3	Very low	34.5	Very low	91 Å²	91	107.6 Å²	107.6	64%	0.636	76%	0.76	S	S	*	*			cis	175	160.1	-26.3	56.2	0	0	0	0	110.4
854	S	31.3	Very low	34.6	Very low	111 Å²	111	109.2 Å²	109.2	78%	0.776	76%	0.76	S	S	*	*			trans	76.5	159.3	152.9	-54.1	0	0	0	0	118.8
855	V	29.1	Very low	33	Very low	131 Å²	131	107.5 Å²	107.5	79%	0.794	76%	0.757	S	S	*	*			cis	-162.3	167.7	-17.1	131.1	0	0	0	0	109.6
856	S	27	Very low	31.7	Very low	101 Å²	101	108.7 Å²	108.7	71%	0.706	76%	0.755	S	S	*	*			trans	-44.8	164.1	167.9	-44.6	0	0	0	0	115.4
857	S	28.9	Very low	31.5	Very low	113 Å²	113	110.5 Å²	110.5	79%	0.79	75%	0.752	S	S	*	*				-175	172.1	54.6	-52.4	0	0	0	0	112.5
858	A	35.5	Very low	31	Very low	88 Å²	88	112 Å²	112	73%	0.727	75%	0.747	S	S	*	*			trans	-94.5	157.6	160.5	0	0	0	0	0	111.7
859	P	41.1	Very low	30.1	Very low	115 Å²	115	114 Å²	114	75%	0.747	74%	0.742	S	S	*	*				-135	140.9	112.8	12.8	9.3	0	0	0	111.7
860	T	28	Very low	30.2	Very low	117 Å²	117	114.7 Å²	114.7	72%	0.718	74%	0.736	S	S	*	*				70	111	63.9	68.2	0	0	0	0	117.8
861	S	28.1	Very low	30.1	Very low	106 Å²	106	116.4 Å²	116.4	74%	0.741	74%	0.735	S	S	*	*			trans	69.2	166.3	139.3	68.8	0	0	0	0	118.7
862	T	28	Very low	30.1	Very low	111 Å²	111	118.9 Å²	118.9	68%	0.681	74%	0.735	S	S	*	*			cis	-154.6	159	18.1	38.1	0	0	0	0	111.5
863	T	27.8	Very low	30.1	Very low	127 Å²	127	118 Å²	118	78%	0.779	73%	0.734	S	S	*	*			trans	45.8	159.3	141.9	59.9	0	0	0	0	121.6
864	S	29.1	Very low	29.9	Very low	101 Å²	101	117 Å²	117	71%	0.706	74%	0.737	S	S	*	*			cis	-166.2	133.9	-2.2	32.8	0	0	0	0	106.9
865	A	29.8	Very low	29.8	Very low	91 Å²	91	119.5 Å²	119.5	75%	0.752	74%	0.742	S	S	*	*				65.8	137.3	102.6	0	0	0	0	0	117.6
866	L	29.5	Very low	29.7	Very low	154 Å²	154	117.6 Å²	117.6	81%	0.806	73%	0.734	S	S	*	*			trans	74.9	145.5	173.9	-50.8	-175.6	0	0	0	115.5
867	D	27	Very low	29.9	Very low	134 Å²	134	119.6 Å²	119.6	72%	0.717	74%	0.737	S	S	*	*			cis	-156.7	158.2	1.1	-126.7	-24.2	0	0	0	115.7
868	D	28.6	Very low	30.1	Very low	124 Å²	124	122.1 Å²	122.1	66%	0.663	74%	0.736	S	S	*	*			trans	70.9	160.7	144.9	-136	-9	0	0	0	125.8
869	F	27.9	Very low	30.4	Very low	170 Å²	170	122.6 Å²	122.6	75%	0.746	73%	0.732	S	S	*	*			trans	73.3	78.7	165.2	-79.6	-85.2	0	0	0	124.2
870	S	29.4	Very low	29.8	Very low	86 Å²	86	126.7 Å²	126.7	60%	0.601	74%	0.738	S	S	*	*				56	124.7	104.7	-66.8	0	0	0	0	125.1
871	L	30.7	Very low	29.8	Very low	154 Å²	154	125.1 Å²	125.1	81%	0.806	75%	0.745	S	S	*	*			trans	74.9	153.7	131.6	-62.3	-180	0	0	0	119.7
872	L	32	Very low	29.7	Very low	144 Å²	144	123.6 Å²	123.6	75%	0.754	75%	0.746	S	S	*	*			cis	-155.8	177.7	10.6	-125.2	163.4	0	0	0	113.1
873	S	30.9	Very low	29.7	Very low	110 Å²	110	127 Å²	127	77%	0.769	76%	0.759	S	S	*	*			trans	-39.1	175	175.1	-55.7	0	0	0	0	120.5
874	G	28.6	Very low	29.9	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	76%	0.758	S	S	*	*			cis	138.4	170.7	-1.9	0	0	0	0	0	114.1
875	D	28.3	Very low	30.8	Very low	165 Å²	165	125.7 Å²	125.7	88%	0.882	75%	0.752	S	S	*	*			trans	61.4	168.4	170.4	-91	23.1	0	0	0	120.2
876	S	28.3	Very low	30.7	Very low	90 Å²	90	130.3 Å²	130.3	63%	0.629	76%	0.756	S	S	*	*			cis	-176.1	-179.3	-37.7	-169.1	0	0	0	0	111.8
877	L	30.8	Very low	30.5	Very low	144 Å²	144	130.8 Å²	130.8	75%	0.754	75%	0.752	S	S	*	*			trans	76.2	115.7	156.9	-64.5	171.7	0	0	0	123.4
878	Q	33.1	Very low	30.5	Very low	166 Å²	166	130.9 Å²	130.9	78%	0.776	75%	0.751	S	S	*	*				55	169.5	113.9	-68.1	-69.4	-21.7	0	0	120
879	P	42.6	Very low	30.4	Very low	98 Å²	98	131.6 Å²	131.6	64%	0.636	75%	0.753	S	S	*	*			cis	-148.4	-170.5	23.7	38.4	-13.2	0	0	0	119.4
880	K	27.6	Very low	30.6	Very low	200 Å²	200	129.4 Å²	129.4	87%	0.87	75%	0.753	S	S	*	*			trans	85	139.8	163.5	-53.7	163.9	-175.5	173.2	0	117.1
881	G	27.6	Very low	30.9	Very low	85 Å²	85	131.5 Å²	131.5	88%	0.876	77%	0.765	S	S	*	*			cis	144.3	128	-16.5	0	0	0	0	0	115.6
882	G	26.1	Very low	30.7	Very low	73 Å²	73	130.7 Å²	130.7	75%	0.753	76%	0.761	S	S	*	*			trans	136.5	129.9	156.9	0	0	0	0	0	119.6
883	L	28.8	Very low	30.5	Very low	183 Å²	183	131.3 Å²	131.3	96%	0.958	76%	0.76	S	S	*	*			trans	75	147.4	149.1	-51.9	179.7	0	0	0	122.1
884	S	31.2	Very low	30.3	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	76%	0.757	S	S	*	*			trans	-136	-172.1	175.5	65.6	0	0	0	0	107.7
885	P	49.2	Very low	30.2	Very low	92 Å²	92	135.5 Å²	135.5	60%	0.597	76%	0.758	S	S	*	*			cis	-143.8	-170.8	10.9	33.5	-7.6	0	0	0	117.3
886	F	27.7	Very low	30.2	Very low	188 Å²	188	133.7 Å²	133.7	83%	0.825	76%	0.758	S	S	*	*			trans	69.8	158.7	159.9	-66.3	-47.6	0	0	0	119.5
887	K	25.2	Very low	30.2	Very low	165 Å²	165	136.6 Å²	136.6	72%	0.717	77%	0.767	S	S	*	*			cis	-177.2	139.9	-21.2	177.6	-179.2	-177.1	-173.3	0	111.6
888	I	26.9	Very low	30.2	Very low	136 Å²	136	135.1 Å²	135.1	70%	0.697	77%	0.769	S	S	*	*			trans	67.5	165.7	160.2	-81.3	172.7	0	0	0	118.7
889	I	26.5	Very low	30.1	Very low	138 Å²	138	131.3 Å²	131.3	71%	0.708	76%	0.76	S	S	*	*				-171.6	133.2	-54.1	-128.7	169.1	0	0	0	110.7
890	V	31.2	Very low	29.5	Very low	125 Å²	125	133.7 Å²	133.7	76%	0.758	77%	0.767	S	S	*	*			trans	55.9	158.2	176.6	-118.6	0	0	0	0	118.1
891	P	35	Very low	29.7	Very low	129 Å²	129	130.3 Å²	130.3	84%	0.838	76%	0.758	S	S	*	*				-136.4	-177.3	66	38.9	-20.3	0	0	0	116.3
892	N	26.7	Very low	29.7	Very low	137 Å²	137	133.2 Å²	133.2	73%	0.733	75%	0.751	S	S	*	*			trans	-132.9	136.6	-177.6	162	26.2	0	0	0	109.6
893	H	28.6	Very low	29.8	Very low	157 Å²	157	134.1 Å²	134.1	73%	0.727	75%	0.747	S	S	*	*			trans	-160.9	137.8	162.5	-101.3	-17	0	0	0	116.4
894	K	26.1	Very low	29.7	Very low	164 Å²	164	131.5 Å²	131.5	71%	0.713	73%	0.734	S	S	*	*			trans	42.9	127	135.4	-62.7	177.1	177.4	176.4	0	119.6
895	S	27.5	Very low	29.6	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	73%	0.734	S	S	*	*			cis	75.3	112.7	45	83.6	0	0	0	0	116
896	S	28.2	Very low	28.6	Very low	128 Å²	128	137 Å²	137	90%	0.895	74%	0.737	S	S	*	*			trans	-160.4	138.9	160.4	-69.1	0	0	0	0	109.9
897	D	27.1	Very low	28.7	Very low	150 Å²	150	130.9 Å²	130.9	80%	0.802	72%	0.721	S	S	*	*			trans	-98.5	169.1	173.5	-73.2	-73.7	0	0	0	111.8
898	S	32.3	Very low	28.8	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	73%	0.726	S	S	*	*			trans	71.7	161.4	151.8	87.7	0	0	0	0	116.8
899	S	29.5	Very low	29.1	Very low	86 Å²	86	129.2 Å²	129.2	60%	0.601	73%	0.729	S	S	*	*			cis	-177.1	174.2	-26.6	53.2	0	0	0	0	108.7
900	L	30.6	Very low	29.3	Very low	148 Å²	148	127 Å²	127	78%	0.775	73%	0.732	S	S	*	*			trans	69.3	153.8	161.7	-57.2	177.5	0	0	0	115.9
901	L	31.1	Very low	29.2	Very low	129 Å²	129	126.4 Å²	126.4	68%	0.675	73%	0.733	S	S	*	*			cis	-162.4	141.8	-8.4	-109.1	166.4	0	0	0	111
902	I	27.9	Very low	29	Very low	145 Å²	145	124.1 Å²	124.1	74%	0.744	73%	0.725	S	S	*	*			trans	55.1	163	139.6	-78.9	-179.4	0	0	0	122.4
903	S	27.7	Very low	29.1	Very low	93 Å²	93	125.8 Å²	125.8	65%	0.65	73%	0.728	S	S	*	*			trans	86.7	132.1	169.7	-69.7	0	0	0	0	117.8
904	D	26.7	Very low	29.2	Very low	128 Å²	128	122.6 Å²	122.6	68%	0.684	73%	0.729	S	S	*	*			cis	-162.6	161.2	-10	-113.7	-42.2	0	0	0	112.8
905	F	29.4	Very low	29.4	Very low	172 Å²	172	119.7 Å²	119.7	75%	0.754	74%	0.735	S	S	*	*			trans	61.2	131.4	165.7	-92	-111.5	0	0	0	118.5
906	E	28.1	Very low	29.8	Very low	142 Å²	142	121.5 Å²	121.5	66%	0.664	74%	0.742	S	S	*	*			cis	66.8	139.7	43.4	-114.3	-155	130.5	0	0	113.9	Q908	E906-Q908 PolarHBondContact OE1-NE2 3.38Å
907	A	30.1	Very low	29.8	Very low	61 Å²	61	124.8 Å²	124.8	50%	0.504	74%	0.744	S	S	.	*			cis	-158.6	158	14.3	0	0	0	0	0	115.1
908	Q	27.6	Very low	30.1	Very low	172 Å²	172	124.9 Å²	124.9	80%	0.804	74%	0.744	S	S	*	*			trans	63.4	159.2	139.2	-69.6	163.8	28.4	0	0	120.9	E906	E906-Q908 PolarHBondContact OE1-NE2 3.38Å
909	A	32.4	Very low	30	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	74%	0.742	S	S	*	*			cis	-173.9	178.7	-27.9	0	0	0	0	0	106.6
910	A	31.6	Very low	30.3	Very low	93 Å²	93	131.3 Å²	131.3	77%	0.769	75%	0.754	S	S	*	*			cis	-151.1	179.6	-2.6	0	0	0	0	0	106.5
911	S	29.5	Very low	30.3	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	75%	0.747	S	S	*	*			cis	-149.6	-152.3	-1.9	-145	0	0	0	0	106.3
912	A	30.5	Very low	30.9	Very low	82 Å²	82	129.4 Å²	129.4	68%	0.678	75%	0.752	S	S	*	*			cis	-153.9	148.2	5	0	0	0	0	0	107.7
913	E	28.8	Very low	31.1	Very low	172 Å²	172	129.3 Å²	129.3	80%	0.804	75%	0.751	S	S	*	*				57.5	119.3	80	-59.7	-68.8	110.4	0	0	115.5
914	A	29.8	Very low	31.7	Very low	89 Å²	89	130.2 Å²	130.2	74%	0.736	76%	0.755	S	S	*	*			cis	-161	153.7	-10.9	0	0	0	0	0	111
915	A	31.1	Very low	31.8	Very low	103 Å²	103	131 Å²	131	85%	0.851	76%	0.764	S	S	*	*			trans	-149.4	141.3	161.8	0	0	0	0	0	109.1
916	T	36.5	Very low	31.8	Very low	140 Å²	140	129.2 Å²	129.2	86%	0.859	77%	0.768	S	S	*	*			trans	-80.6	139.7	-168.2	47.4	0	0	0	0	113.7
917	E	28	Very low	31.9	Very low	198 Å²	198	125.9 Å²	125.9	93%	0.925	77%	0.771	S	S	*	*			trans	-73.5	149.6	154.2	-56.9	-171.1	164.1	0	0	109.5
918	D	33.3	Very low	31.8	Very low	152 Å²	152	134.6 Å²	134.6	81%	0.813	79%	0.791	S	S	*	*			trans	-137.9	137	171.3	-162.9	12.5	0	0	0	108.6
919	D	30.1	Very low	31.8	Very low	141 Å²	141	134.3 Å²	134.3	75%	0.754	79%	0.787	S	S	*	*			trans	-110.4	132.2	-166.4	176.6	38.1	0	0	0	110.1
920	F	34.9	Very low	31.5	Very low	194 Å²	194	136.4 Å²	136.4	85%	0.851	79%	0.786	S	S	*	*			trans	-146.9	99.3	-179.9	-126.5	-78.6	0	0	0	115.7
921	D	31.8	Very low	31.3	Very low	118 Å²	118	135.7 Å²	135.7	63%	0.631	78%	0.775	S	S	*	*			trans	-75.1	131.1	176.7	-149.4	3.7	0	0	0	112.1	I923	D921-I923 PolarHBondContact O-N 3.14Å
922	P	43.2	Very low	31.2	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	78%	0.776	S	S	*	*			trans	-81.9	81.3	178.1	32.2	-34.7	0	0	0	112.5
923	I	32.2	Very low	31.1	Very low	143 Å²	143	141 Å²	141	73%	0.733	78%	0.782	S	S	*	*			trans	-65	135.8	178.8	-68.1	179.7	0	0	0	112.2	D921	D921-I923 PolarHBondContact O-N 3.14Å
924	P	39.1	Very low	31.1	Very low	111 Å²	111	138.5 Å²	138.5	72%	0.721	78%	0.784	S	S	*	*			trans	-90.5	162	-168.2	35.9	-38.5	0	0	0	115.1
925	V	30.6	Very low	30.9	Very low	146 Å²	146	138.2 Å²	138.2	89%	0.885	79%	0.79	S	S	*	*			trans	-122.4	114.8	170.5	-178.6	0	0	0	0	111.9
926	T	28.9	Very low	30.7	Very low	134 Å²	134	136.4 Å²	136.4	82%	0.822	78%	0.781	S	S	*	*			trans	-84	137.9	173.9	56.8	0	0	0	0	112.2
927	G	29.6	Very low	30.4	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	79%	0.785	S	S	*	*			trans	-95.7	151.5	176.9	0	0	0	0	0	115.5
928	R	28	Very low	30.4	Very low	244 Å²	244	135.5 Å²	135.5	92%	0.921	78%	0.779	S	S	*	*			trans	-175.9	160.1	161.4	-99.5	160.9	-169.9	-151.2	6.3	109.4
929	K	27.3	Very low	30.2	Very low	166 Å²	166	139.7 Å²	139.7	72%	0.722	78%	0.783	S	S	*	*			cis	-179.3	143.6	-28.4	171.1	173.5	176.7	-177.4	0	110.3
930	N	27	Very low	30.1	Very low	137 Å²	137	137.8 Å²	137.8	73%	0.733	78%	0.781	S	S	*	*			trans	69.6	167.2	163.5	-83.2	34.5	0	0	0	117.3
931	S	27.7	Very low	29.7	Very low	78 Å²	78	136 Å²	136	55%	0.545	78%	0.781	S	S	.	*			cis	-157	156.8	23.6	-149.9	0	0	0	0	116.9
932	Q	27.1	Very low	29.6	Very low	170 Å²	170	136 Å²	136	79%	0.794	79%	0.79	S	S	*	*			trans	63.9	162.9	152.1	-75.7	159.5	-75	0	0	119
933	V	28	Very low	29	Very low	133 Å²	133	134.3 Å²	134.3	81%	0.806	79%	0.794	S	S	*	*			cis	-131	179.7	0.9	84.9	0	0	0	0	111.6
934	S	28.7	Very low	28.8	Very low	120 Å²	120	131.5 Å²	131.5	84%	0.839	80%	0.8	S	S	*	*			trans	-138.8	145.2	-156	-46	0	0	0	0	115.8
935	G	25.9	Very low	28.4	Very low	84 Å²	84	130.9 Å²	130.9	87%	0.866	80%	0.799	S	S	*	*			trans	164.7	142.2	161.2	0	0	0	0	0	114.4
936	G	27.1	Very low	28.4	Very low	64 Å²	64	132 Å²	132	66%	0.66	79%	0.794	S	S	*	*			cis	172.8	-173.8	-6.3	0	0	0	0	0	114.1
937	H	28.9	Very low	28.6	Very low	205 Å²	205	130.9 Å²	130.9	95%	0.949	79%	0.792	S	S	*	*			trans	80.2	133.6	175.4	-56.4	93.9	0	0	0	118.8
938	S	28	Very low	28.6	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	79%	0.794	S	S	*	*			trans	-118.9	162.2	-171.2	31	0	0	0	0	112.2
939	R	30	Very low	28.7	Very low	239 Å²	239	128.6 Å²	128.6	90%	0.902	79%	0.789	S	S	*	*			trans	-167.5	138.3	141.3	-111.5	163.3	-174.3	-172.2	-0.2	116
940	S	28.2	Very low	29.7	Very low	101 Å²	101	127 Å²	127	71%	0.706	80%	0.796	S	S	*	*			trans	42.8	98.4	147.5	59.1	0	0	0	0	121.4
941	N	26.9	Very low	30	Very low	158 Å²	158	124.8 Å²	124.8	85%	0.845	79%	0.791	S	S	*	*				39.4	111.6	98.6	-161.3	59.4	0	0	0	119.6
942	S	29.1	Very low	30.4	Very low	117 Å²	117	128 Å²	128	82%	0.818	80%	0.801	S	S	*	*			trans	-170.6	151.7	130.2	48	0	0	0	0	111
943	G	31.3	Very low	30.8	Very low	83 Å²	83	123.6 Å²	123.6	86%	0.856	79%	0.794	S	S	*	*			trans	-103.1	160.7	173.6	0	0	0	0	0	112.2
944	G	26.7	Very low	31.5	Very low	84 Å²	84	127 Å²	127	87%	0.866	79%	0.792	S	S	*	*			trans	-158.4	147.8	174.8	0	0	0	0	0	110
945	S	31.3	Very low	31.5	Very low	99 Å²	99	124.8 Å²	124.8	69%	0.692	78%	0.777	S	S	*	*			trans	-105.4	156.5	-164.1	55.8	0	0	0	0	115.1
946	E	30.1	Very low	32.1	Very low	168 Å²	168	126.3 Å²	126.3	79%	0.785	77%	0.765	S	S	*	*			trans	65.4	126.3	145.6	-72.1	165.1	127.7	0	0	122.9
947	S	32.8	Very low	32.7	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	77%	0.769	S	S	*	*			trans	70.3	112.8	136.9	71.8	0	0	0	0	120.6
948	S	31	Very low	33	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	75%	0.753	S	S	*	*				174.7	172.9	118.7	46	0	0	0	0	112
949	L	30.4	Very low	33.4	Very low	157 Å²	157	124.8 Å²	124.8	82%	0.822	74%	0.738	S	S	*	*			trans	78.2	79.5	169.5	-53.4	-179.4	0	0	0	119.8
950	P	47.1	Very low	33.6	Very low	133 Å²	133	120 Å²	120	86%	0.864	73%	0.73	S	S	*	*			trans	-88.7	114.7	148.9	33.5	-26.4	0	0	0	110.6
951	S	34.8	Very low	34.1	Very low	89 Å²	89	121.9 Å²	121.9	62%	0.622	73%	0.728	S	S	*	*			trans	-155.3	-58.5	171.7	-179.8	0	0	0	0	112.3	A953 R954	S951-A953 VanDerWaalsContact C-N 3.25Å; S951-A953 PolarHBondContact O-N 3.34Å; S951-A953 VanDerWaalsContact O-N 3.11Å; S951-R954 PolarHBondContact O-N 3.36Å
952	L	34.5	Very low	34.3	Very low	146 Å²	146	120.3 Å²	120.3	76%	0.764	72%	0.719	S	S	*	*	H	α-helix	trans	-61.6	-28.3	-169.5	-151.6	71.5	0	0	0	114.4	R954 S955	L952-R954 VanDerWaalsContact C-N 3.29Å; L952-R954 PolarHBondContact O-N 3.06Å; L952-S955 PolarHBondContact O-N 3.01Å
953	A	37.1	Very low	34.6	Very low	78 Å²	78	121.1 Å²	121.1	65%	0.645	71%	0.713	S	S	*	*	H	α-helix	trans	-68.5	-19.9	-178.5	0	0	0	0	0	114.5	S951	S951-A953 VanDerWaalsContact C-N 3.25Å; S951-A953 PolarHBondContact O-N 3.34Å; S951-A953 VanDerWaalsContact O-N 3.11Å
954	R	40.8	Very low	34.8	Very low	203 Å²	203	124.6 Å²	124.6	77%	0.766	71%	0.712	S	S	*	*	H	α-helix	trans	-80.4	-29.6	177.2	-78.9	-175.5	176.5	154.9	-1.1	113.4	S951 L952 L956	S951-R954 PolarHBondContact O-N 3.36Å; L952-R954 VanDerWaalsContact C-N 3.29Å; L952-R954 PolarHBondContact O-N 3.06Å; R954-L956 VanDerWaalsContact C-N 3.34Å; R954-L956 PolarHBondContact O-N 3.14Å
955	S	30.5	Very low	35.1	Very low	74 Å²	74	129.9 Å²	129.9	52%	0.517	72%	0.719	S	S	.	*	H	α-helix	trans	-69.8	-31.8	-179.1	-57.2	0	0	0	0	112.5	L952 L958	L952-S955 PolarHBondContact O-N 3.01Å; S955-L958 PolarHBondContact O-N 3.31Å
956	L	38.5	Very low	35.3	Very low	117 Å²	117	131.5 Å²	131.5	61%	0.613	72%	0.721	S	S	*	*	H	α-helix	trans	-69.4	-35.5	178.7	-69	171.2	0	0	0	112.5	R954 L958 V959	R954-L956 VanDerWaalsContact C-N 3.34Å; R954-L956 PolarHBondContact O-N 3.14Å; L956-L958 PolarHBondContact O-N 3.32Å; L956-L958 VanDerWaalsContact O-N 3.07Å; L956-V959 PolarHBondContact O-N 3.2Å; L956-V959 VanDerWaalsContact O-N 3.11Å
957	M	38.7	Very low	35.6	Very low	151 Å²	151	129.5 Å²	129.5	74%	0.744	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-8.9	174.7	-68	-169.3	72.7	0	0	114.6
958	L	35.2	Very low	35.7	Very low	119 Å²	119	130.6 Å²	130.6	62%	0.623	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-5	176.1	-78.7	167	0	0	0	113.6	S955 L956	S955-L958 PolarHBondContact O-N 3.31Å; L956-L958 PolarHBondContact O-N 3.32Å; L956-L958 VanDerWaalsContact O-N 3.07Å
959	V	36.2	Very low	36	Very low	82 Å²	82	131.6 Å²	131.6	50%	0.497	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	-38.4	179.1	174.3	0	0	0	0	111.3	L956 Q961 L962	L956-V959 PolarHBondContact O-N 3.2Å; L956-V959 VanDerWaalsContact O-N 3.11Å; V959-Q961 PolarHBondContact O-N 3.06Å; V959-Q961 VanDerWaalsContact O-N 3.16Å; V959-L962 PolarHBondContact O-N 3.3Å
960	D	35.5	Very low	36.4	Very low	137 Å²	137	130.1 Å²	130.1	73%	0.733	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-14.2	178.4	-66.4	-15.9	0	0	0	113.4	L962	D960-L962 VanDerWaalsContact C-N 3.32Å
961	Q	37.5	Very low	35.7	Very low	141 Å²	141	129.9 Å²	129.9	66%	0.659	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	2.9	172.9	-69.8	-166.9	-17.8	0	0	114.2	V959	V959-Q961 PolarHBondContact O-N 3.06Å; V959-Q961 VanDerWaalsContact O-N 3.16Å
962	L	31.3	Very low	35.7	Very low	125 Å²	125	132.8 Å²	132.8	65%	0.654	70%	0.697	S	S	*	*	S	Bend	trans	-116.9	13.7	-170.1	-111.3	164.6	0	0	0	114.5	V959 D960	V959-L962 PolarHBondContact O-N 3.3Å; D960-L962 VanDerWaalsContact C-N 3.32Å
963	I	35.3	Very low	35.8	Very low	134 Å²	134	131.8 Å²	131.8	69%	0.687	69%	0.692	S	S	*	*	S	Bend	trans	-109.8	-16.6	-177.4	-66.8	178.7	0	0	0	113.1
964	D	34.7	Very low	35.7	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	70%	0.696	S	S	*	*			trans	-110	56.2	176.6	-93.1	-52.1	0	0	0	112.8
965	L	34.4	Very low	35.3	Very low	195 Å²	195	130.2 Å²	130.2	100%	1.021	69%	0.69	S	S	*	*			trans	-117.5	0	164.8	-84.2	169.4	0	0	0	110.1

Retrieved 965 of 965 residues in 110.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).