A0A096LQ11_POEFO Loading...

3-hydroxy-3-methylglutaryl coenzyme A reductase

AlphaFold DB , UniProt , Accession A0A096LQ11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 815 aa.

						>A0A096LQ11_POEFO|A0A096LQ11
MLSPLFRAHGLLVASHPWEVIVGTITLTICMLSMNMFTGNDQICGWNLDCPKTEEEILSSDIIILTITRCIAIVYIYFQFQSLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFFDKELTGLNEALPFFLLLIDLSKACTLAKFALSSNSQDEVRENIGTGMAVLGPTFTLDALVECLLIGVGTMSGVKQLEIMCGFGCMSVLANYFVFMTFFPACVSLVLELSRESQEGHPIWQLNDFSRVMEEEDNKPNPVTQRVKMIMSLGLVMVHAHSRWISKPLSSNTTGSNEQLGMELDQLSPRRIEPEMPLWHFYLSRMITMDIEQVICLALALLLAVKYIFFEQVEMESTLSLRNPITMAAPSPNQQYNKTCCMRKSSAPRSAAPAAPCREERDEVIRPFPAPTIDCQSKSLFVIGEEDGEMKYDNTEPSLLQNPRGLDECVSIFNNPEQGPYHLSDAEVMLLVTSKHIPAYKLEALMEKPERGVAIRRQMISAKLSCSSALSSLPYINYDYSKVMGTCCENVIGYIPVPVGVAGPLHLDGKQFQVPMATTEGCLVASTNRGCRAIALSGGASSCILADGMTRGPVVRLPSACKAAEVKAWLESPDGFQDISEAFDNSSRFARLQKLLVGLAGRNLYIRFQCRTGDAMGMNMISKGTEKALSRLQQHFPELQVVAVSGNYCTDKKPAAINWIEGRGKSAVCEATISAKVVQEVLKTTTEALIEVNISKNLVGSAMAGSIGGFNAHAANLVAAIYIACGQDPAQSVSSSNCITLMEPSGPTGKDLYISCTMPSIEVGTVGGGTNLPPQQACLKVHAAHL
					

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(Predicted Aligned Error values between residue pairs)

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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	56	Low	80.8	Confident	224 Å²	224	85.1 Å²	85.1	100%	1.103	46%	0.455	S	S	*	.				0	-26.7	0	-69.2	-174.5	92	0	0	113.4
2	L	72.8	Confident	81.3	Confident	106 Å²	106	86.6 Å²	86.6	56%	0.555	46%	0.462	S	S	*	.			trans	-87.9	-21.3	-177.7	-68.9	164.1	0	0	0	115.6	P4 L5 F6	L2-P4 VanDerWaalsContact C-CD 3.42Å; L2-L5 HydrophobicContact CD2-CD1 4.1Å; L2-L5 WeakPolarHBondContact O-CB 3.35Å; L2-L5 PolarHBondContact O-N 3.24Å; L2-F6 HydrophobicContact CB-CD2 4.17Å; L2-F6 HydrophobicContact CB-CE2 3.95Å; L2-F6 WeakPolarHBondContact O-CD2 3.27Å; L2-F6 PolarHBondContact O-N 2.83Å
3	S	76.9	Confident	81.8	Confident	55 Å²	55	80.2 Å²	80.2	39%	0.385	43%	0.428	S	S	.	.	H	α-helix	trans	-54.4	-37.4	-176.7	-53.6	0	0	0	0	115.6	L5 F6 R7 A162	S3-L5 VanDerWaalsContact C-N 3.31Å; S3-L5 PolarHBondContact O-N 3.21Å; S3-F6 PolarHBondContact O-N 3.09Å; S3-R7 PolarHBondContact O-N 3.27Å; S3-A162 WeakPolarHBondContact CB-O 3.48Å; S3-A162 PolarHBondContact OG-O 3.45Å
4	P	82.7	Confident	82	Confident	90 Å²	90	74.4 Å²	74.4	58%	0.584	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-32.7	175.8	-22.8	34.7	0	0	0	113.8	L2 R7 A8	L2-P4 VanDerWaalsContact C-CD 3.42Å; P4-R7 PolarHBondContact O-N 3.36Å; P4-A8 PolarHBondContact O-N 3.08Å
5	L	85	Confident	82.2	Confident	118 Å²	118	72.3 Å²	72.3	62%	0.618	39%	0.39	S	S	*	.	H	α-helix	trans	-70.9	-43	177.9	-67.2	169.4	0	0	0	111.1	L2 S3 R7 A8 H9	L2-L5 HydrophobicContact CD2-CD1 4.1Å; L2-L5 WeakPolarHBondContact O-CB 3.35Å; L2-L5 PolarHBondContact O-N 3.24Å; S3-L5 VanDerWaalsContact C-N 3.31Å; S3-L5 PolarHBondContact O-N 3.21Å; L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 3.45Å; L5-A8 PolarHBondContact O-N 3.26Å; L5-H9 WeakPolarHBondContact O-CB 3.49Å; L5-H9 PolarHBondContact O-N 3.15Å
6	F	86.4	Confident	82.4	Confident	29 Å²	29	72.8 Å²	72.8	13%	0.127	39%	0.389	C	S	.	.	H	α-helix	trans	-65	-35.2	174.3	-73.8	-74.8	0	0	0	112.3	L2 S3 H9 G10 M161 P166 T169 M209	L2-F6 HydrophobicContact CB-CD2 4.17Å; L2-F6 HydrophobicContact CB-CE2 3.95Å; L2-F6 WeakPolarHBondContact O-CD2 3.27Å; L2-F6 PolarHBondContact O-N 2.83Å; S3-F6 PolarHBondContact O-N 3.09Å; F6-H9 PolarHBondContact O-N 3.27Å; F6-G10 PolarHBondContact O-N 3.06Å; F6-M161 WeakPolarHBondContact CB-O 3.31Å; F6-P166 HydrophobicContact CD2-CG 3.8Å; F6-P166 HydrophobicContact CE2-CB 4.46Å; F6-P166 HydrophobicContact CE2-CG 3.99Å; F6-T169 WeakPolarHBondContact CZ-OG1 3.37Å; F6-M209 HydrophobicContact CD1-CE 4.03Å; F6-M209 HydrophobicContact CD1-SD 4.37Å; F6-M209 HydrophobicContact CE1-CE 3.51Å; F6-M209 HydrophobicContact CE1-SD 4.26Å; F6-M209 HydrophobicContact CZ-CE 4.39Å
7	R	85.7	Confident	82.4	Confident	107 Å²	107	68.8 Å²	68.8	40%	0.404	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-48.9	172.5	-166	177.2	-178.5	-143.1	-2.8	111.7	S3 P4 L5 H9 G10 L11 E155 G158 A162	S3-R7 PolarHBondContact O-N 3.27Å; P4-R7 PolarHBondContact O-N 3.36Å; L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 3.45Å; R7-H9 VanDerWaalsContact C-N 3.35Å; R7-H9 PolarHBondContact O-N 3.3Å; R7-G10 PolarHBondContact O-N 2.89Å; R7-L11 WeakPolarHBondContact O-CB 3.28Å; R7-L11 PolarHBondContact O-N 2.9Å; R7-E155 IonicContact NH2-OE1 3.21Å; R7-E155 PolarHBondContact NH2-OE1 2.92Å; R7-G158 WeakPolarHBondContact CA-O 3.49Å; R7-A162 HydrophobicContact CB-CB 3.81Å; R7-A162 HydrophobicContact CG-CB 4.3Å
8	A	85.9	Confident	82.2	Confident	61 Å²	61	73.2 Å²	73.2	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-40.9	179.2	0	0	0	0	0	112	P4 L5 L11 L12	P4-A8 PolarHBondContact O-N 3.08Å; L5-A8 PolarHBondContact O-N 3.26Å; A8-L11 PolarHBondContact O-N 2.9Å; A8-L12 PolarHBondContact O-N 3.46Å
9	H	87.3	Confident	82.4	Confident	68 Å²	68	76.3 Å²	76.3	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-47.5	175.9	-174.9	60.2	0	0	0	112.3	L5 F6 R7 L11 L12 V13 M209	L5-H9 WeakPolarHBondContact O-CB 3.49Å; L5-H9 PolarHBondContact O-N 3.15Å; F6-H9 PolarHBondContact O-N 3.27Å; R7-H9 VanDerWaalsContact C-N 3.35Å; R7-H9 PolarHBondContact O-N 3.3Å; H9-L11 VanDerWaalsContact C-N 3.29Å; H9-L11 PolarHBondContact O-N 2.98Å; H9-L12 PolarHBondContact O-N 2.85Å; H9-V13 VanDerWaalsContact O-CG2 3.3Å; H9-V13 WeakPolarHBondContact O-CG2 3.32Å; H9-V13 PolarHBondContact O-N 3.34Å; H9-M209 PolarHBondContact NE2-O 3.23Å
10	G	84.3	Confident	82.5	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.6	-37.9	177	0	0	0	0	0	112.8	F6 R7 A14	F6-G10 PolarHBondContact O-N 3.06Å; R7-G10 PolarHBondContact O-N 2.89Å; G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 3.34Å; G10-A14 PolarHBondContact O-N 3.28Å
11	L	85.9	Confident	82.3	Confident	78 Å²	78	71 Å²	71	41%	0.408	37%	0.366	S	S	.	.	H	α-helix	trans	-66.7	-43.6	176.9	-162.7	111.7	0	0	0	112.1	R7 A8 H9 V13 A14 S15	R7-L11 WeakPolarHBondContact O-CB 3.28Å; R7-L11 PolarHBondContact O-N 2.9Å; A8-L11 PolarHBondContact O-N 2.9Å; H9-L11 VanDerWaalsContact C-N 3.29Å; H9-L11 PolarHBondContact O-N 2.98Å; L11-V13 VanDerWaalsContact C-N 3.35Å; L11-A14 PolarHBondContact O-N 3.03Å; L11-S15 VanDerWaalsContact O-CB 3.31Å; L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 3.34Å; L11-S15 PolarHBondContact O-OG 2.91Å
12	L	86.9	Confident	83.4	Confident	103 Å²	103	64.1 Å²	64.1	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-45.1	176.2	-177.1	101	0	0	0	111.6	A8 H9 S15 H16	A8-L12 PolarHBondContact O-N 3.46Å; H9-L12 PolarHBondContact O-N 2.85Å; L12-S15 PolarHBondContact O-N 3.29Å; L12-S15 PolarHBondContact O-OG 3.12Å; L12-S15 VanDerWaalsContact O-OG 3.11Å; L12-H16 PolarHBondContact O-N 3.42Å
13	V	87.8	Confident	83.7	Confident	3 Å²	3	61 Å²	61	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-38.8	-179.4	169.6	0	0	0	0	111.5	H9 L11 V20 T210 P213 A214	H9-V13 VanDerWaalsContact O-CG2 3.3Å; H9-V13 WeakPolarHBondContact O-CG2 3.32Å; H9-V13 PolarHBondContact O-N 3.34Å; L11-V13 VanDerWaalsContact C-N 3.35Å; V13-V20 HydrophobicContact CG1-CG1 4.4Å; V13-T210 WeakPolarHBondContact CG1-O 2.88Å; V13-P213 HydrophobicContact CG1-CB 3.93Å; V13-P213 HydrophobicContact CG1-CG 4.43Å; V13-A214 HydrophobicContact CG1-CB 3.74Å
14	A	84.3	Confident	83.5	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-77.1	-25.5	177.4	0	0	0	0	0	113.5	G10 L11 R154 I157 S217	G10-A14 VanDerWaalsContact O-CB 3.31Å; G10-A14 WeakPolarHBondContact O-CB 3.34Å; G10-A14 PolarHBondContact O-N 3.28Å; L11-A14 PolarHBondContact O-N 3.03Å; A14-R154 HydrophobicContact CB-CB 4.23Å; A14-R154 HydrophobicContact CB-CG 4.2Å; A14-I157 HydrophobicContact CB-CB 4.29Å; A14-I157 HydrophobicContact CB-CD1 4.21Å; A14-I157 HydrophobicContact CB-CG2 4.1Å; A14-S217 PolarHBondContact O-OG 3.34Å; A14-S217 VanDerWaalsContact O-OG 3.11Å
15	S	84.6	Confident	83	Confident	42 Å²	42	58 Å²	58	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-80.9	-28.4	180	67.1	0	0	0	0	113.5	L11 L12 P17	L11-S15 VanDerWaalsContact O-CB 3.31Å; L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 3.34Å; L11-S15 PolarHBondContact O-OG 2.91Å; L12-S15 PolarHBondContact O-N 3.29Å; L12-S15 PolarHBondContact O-OG 3.12Å; L12-S15 VanDerWaalsContact O-OG 3.11Å; S15-P17 VanDerWaalsContact C-CD 3.4Å; S15-P17 WeakPolarHBondContact O-CD 3.5Å
16	H	85.9	Confident	82.4	Confident	80 Å²	80	55.6 Å²	55.6	37%	0.37	29%	0.294	S	S	.	.	S	Bend	trans	-122.8	60	179.1	-61.6	-84	0	0	0	112.4	L12 W18 E19 V20	L12-H16 PolarHBondContact O-N 3.42Å; H16-W18 PolarHBondContact O-N 3.38Å; H16-E19 HydrophobicContact CB-CB 4.15Å; H16-E19 HydrophobicContact CB-CG 4.35Å; H16-E19 IonicContact CG-OE1 3.56Å; H16-E19 IonicContact CG-OE2 3.43Å; H16-E19 IonicContact ND1-OE1 3.12Å; H16-E19 PolarHBondContact ND1-OE1 2.97Å; H16-E19 VanDerWaalsContact ND1-OE1 3.12Å; H16-E19 IonicContact ND1-OE2 3.96Å; H16-E19 PolarHBondContact ND1-OE2 2.95Å; H16-E19 PolarHBondContact O-N 2.98Å; H16-V20 WeakPolarHBondContact O-CG2 3.39Å; H16-V20 PolarHBondContact O-N 2.77Å; H16-V20 VanDerWaalsContact O-N 3.11Å
17	P	82.8	Confident	81.7	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-40.2	-171	24.7	-33.6	0	0	0	112.9	S15 I21 A214 L218	S15-P17 VanDerWaalsContact C-CD 3.4Å; S15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-I21 WeakPolarHBondContact O-CB 3.22Å; P17-I21 WeakPolarHBondContact O-CD1 3.19Å; P17-I21 WeakPolarHBondContact O-CG1 3.46Å; P17-I21 PolarHBondContact O-N 2.86Å; P17-A214 HydrophobicContact CB-CB 4.34Å; P17-A214 WeakPolarHBondContact CB-O 3.2Å; P17-L218 HydrophobicContact CB-CB 4.05Å
18	W	79.3	Confident	80.7	Confident	148 Å²	148	53.9 Å²	53.9	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-64.5	-45.1	178.6	-70.3	102.6	0	0	0	112.9	H16 V20 I21 V22 L218	H16-W18 PolarHBondContact O-N 3.38Å; W18-V20 VanDerWaalsContact C-N 3.33Å; W18-V20 PolarHBondContact O-N 2.95Å; W18-I21 PolarHBondContact O-N 2.79Å; W18-V22 VanDerWaalsContact O-CB 3.3Å; W18-V22 WeakPolarHBondContact O-CB 3.37Å; W18-V22 VanDerWaalsContact O-CG2 3.26Å; W18-V22 WeakPolarHBondContact O-CG2 3.28Å; W18-V22 PolarHBondContact O-N 2.66Å; W18-L218 HydrophobicContact CD2-CD1 4.13Å; W18-L218 HydrophobicContact CD2-CD2 4.42Å; W18-L218 HydrophobicContact CE3-CD2 4.44Å; W18-L218 HydrophobicContact CH2-CD1 4.37Å; W18-L218 HydrophobicContact CH2-CD2 4.29Å; W18-L218 HydrophobicContact CZ2-CD1 3.56Å; W18-L218 HydrophobicContact CZ2-CD2 4.26Å; W18-L218 HydrophobicContact CZ2-CG 4.47Å; W18-L218 HydrophobicContact CZ3-CD2 4.38Å
19	E	85.9	Confident	79.8	Confident	131 Å²	131	55.3 Å²	55.3	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-65.1	-39.9	-179.7	-62.6	169.6	-156.9	0	0	111.1	H16 G23	H16-E19 HydrophobicContact CB-CB 4.15Å; H16-E19 HydrophobicContact CB-CG 4.35Å; H16-E19 IonicContact CG-OE1 3.56Å; H16-E19 IonicContact CG-OE2 3.43Å; H16-E19 IonicContact ND1-OE1 3.12Å; H16-E19 PolarHBondContact ND1-OE1 2.97Å; H16-E19 VanDerWaalsContact ND1-OE1 3.12Å; H16-E19 IonicContact ND1-OE2 3.96Å; H16-E19 PolarHBondContact ND1-OE2 2.95Å; H16-E19 PolarHBondContact O-N 2.98Å; E19-G23 WeakPolarHBondContact O-CA 3.36Å; E19-G23 PolarHBondContact O-N 2.89Å
20	V	84	Confident	78.7	Confident	29 Å²	29	55 Å²	55	18%	0.176	30%	0.297	C	S	.	.	H	α-helix	trans	-69.6	-44.8	178.2	174.6	0	0	0	0	111.3	V13 H16 W18 T24 A214	V13-V20 HydrophobicContact CG1-CG1 4.4Å; H16-V20 WeakPolarHBondContact O-CG2 3.39Å; H16-V20 PolarHBondContact O-N 2.77Å; H16-V20 VanDerWaalsContact O-N 3.11Å; W18-V20 VanDerWaalsContact C-N 3.33Å; W18-V20 PolarHBondContact O-N 2.95Å; V20-T24 VanDerWaalsContact O-CB 3.23Å; V20-T24 WeakPolarHBondContact O-CB 3.45Å; V20-T24 PolarHBondContact O-N 3.45Å; V20-T24 PolarHBondContact O-OG1 2.92Å; V20-A214 HydrophobicContact CB-CB 4.2Å; V20-A214 HydrophobicContact CG1-CB 4.01Å
21	I	78.9	Confident	77.5	Confident	13 Å²	13	59 Å²	59	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-50.9	179.4	-70.1	165.4	0	0	0	110.4	P17 W18 T24 I25 F211 A214 L218	P17-I21 WeakPolarHBondContact O-CB 3.22Å; P17-I21 WeakPolarHBondContact O-CD1 3.19Å; P17-I21 WeakPolarHBondContact O-CG1 3.46Å; P17-I21 PolarHBondContact O-N 2.86Å; W18-I21 PolarHBondContact O-N 2.79Å; I21-T24 PolarHBondContact O-N 2.96Å; I21-I25 HydrophobicContact CG2-CD1 3.73Å; I21-I25 WeakPolarHBondContact O-CB 3.35Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.46Å; I21-I25 PolarHBondContact O-N 2.65Å; I21-F211 HydrophobicContact CB-CE2 4.48Å; I21-F211 HydrophobicContact CG1-CD2 4.45Å; I21-F211 HydrophobicContact CG1-CE2 4.33Å; I21-F211 HydrophobicContact CG2-CE2 4.06Å; I21-A214 HydrophobicContact CD1-CB 4.33Å; I21-A214 HydrophobicContact CG1-CB 4.05Å; I21-L218 HydrophobicContact CD1-CB 4.36Å; I21-L218 HydrophobicContact CD1-CD2 3.64Å
22	V	79.2	Confident	76.1	Confident	80 Å²	80	58.1 Å²	58.1	49%	0.485	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-46.2	178.9	174.6	0	0	0	0	110.1	W18 T24 I25 T26	W18-V22 VanDerWaalsContact O-CB 3.3Å; W18-V22 WeakPolarHBondContact O-CB 3.37Å; W18-V22 VanDerWaalsContact O-CG2 3.26Å; W18-V22 WeakPolarHBondContact O-CG2 3.28Å; W18-V22 PolarHBondContact O-N 2.66Å; V22-T24 VanDerWaalsContact C-N 3.32Å; V22-T24 PolarHBondContact O-N 2.88Å; V22-I25 PolarHBondContact O-N 3.05Å; V22-T26 VanDerWaalsContact O-CB 3.29Å; V22-T26 WeakPolarHBondContact O-CB 3.43Å; V22-T26 PolarHBondContact O-N 2.66Å; V22-T26 PolarHBondContact O-OG1 2.78Å
23	G	77.9	Confident	74.6	Confident	39 Å²	39	56.3 Å²	56.3	40%	0.402	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-41.3	177.3	0	0	0	0	0	113	E19 L27	E19-G23 WeakPolarHBondContact O-CA 3.36Å; E19-G23 PolarHBondContact O-N 2.89Å; G23-L27 WeakPolarHBondContact O-CB 3.36Å; G23-L27 PolarHBondContact O-N 3.12Å
24	T	73.9	Confident	73	Confident	14 Å²	14	62.9 Å²	62.9	9%	0.086	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-44	177.5	-55.9	0	0	0	0	111.6	V20 I21 V22 T28 F206 F211	V20-T24 VanDerWaalsContact O-CB 3.23Å; V20-T24 WeakPolarHBondContact O-CB 3.45Å; V20-T24 PolarHBondContact O-N 3.45Å; V20-T24 PolarHBondContact O-OG1 2.92Å; I21-T24 PolarHBondContact O-N 2.96Å; V22-T24 VanDerWaalsContact C-N 3.32Å; V22-T24 PolarHBondContact O-N 2.88Å; T24-T28 WeakPolarHBondContact O-CB 3.45Å; T24-T28 PolarHBondContact O-N 3.11Å; T24-T28 PolarHBondContact O-OG1 3.31Å; T24-F206 HydrophobicContact CG2-CE1 4.03Å; T24-F211 HydrophobicContact CG2-CD2 4.11Å
25	I	72.3	Confident	70.9	Confident	68 Å²	68	65 Å²	65	35%	0.349	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-45.8	177.4	-69.3	169.6	0	0	0	110.5	I21 V22 T28 I29 F211	I21-I25 HydrophobicContact CG2-CD1 3.73Å; I21-I25 WeakPolarHBondContact O-CB 3.35Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.46Å; I21-I25 PolarHBondContact O-N 2.65Å; V22-I25 PolarHBondContact O-N 3.05Å; I25-T28 WeakPolarHBondContact O-CB 3.22Å; I25-T28 PolarHBondContact O-N 3.11Å; I25-I29 HydrophobicContact CG2-CD1 3.64Å; I25-I29 HydrophobicContact CG2-CG1 4.34Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 2.88Å; I25-F211 HydrophobicContact CD1-CE2 4.45Å; I25-F211 HydrophobicContact CG1-CE2 4.28Å
26	T	72.2	Confident	68.6	Low	69 Å²	69	69.5 Å²	69.5	42%	0.423	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-44.3	177.4	-59.6	0	0	0	0	111.1	V22 T28 I29 C30	V22-T26 VanDerWaalsContact O-CB 3.29Å; V22-T26 WeakPolarHBondContact O-CB 3.43Å; V22-T26 PolarHBondContact O-N 2.66Å; V22-T26 PolarHBondContact O-OG1 2.78Å; T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact O-N 3.38Å; T26-I29 PolarHBondContact O-N 3.38Å; T26-C30 VanDerWaalsContact O-CB 3.27Å; T26-C30 WeakPolarHBondContact O-CB 3.33Å; T26-C30 PolarHBondContact O-N 3.41Å; T26-C30 PolarHBondContact O-SG 2.91Å
27	L	70.3	Confident	66.2	Low	86 Å²	86	74.8 Å²	74.8	45%	0.45	39%	0.392	S	S	.	.	H	α-helix	trans	-57.7	-43.1	173.8	-178.5	69.2	0	0	0	111.3	G23 C30 M31	G23-L27 WeakPolarHBondContact O-CB 3.36Å; G23-L27 PolarHBondContact O-N 3.12Å; L27-C30 PolarHBondContact O-N 2.85Å; L27-M31 WeakPolarHBondContact O-CB 3.32Å; L27-M31 VanDerWaalsContact O-CG 3.25Å; L27-M31 WeakPolarHBondContact O-CG 3.42Å; L27-M31 PolarHBondContact O-N 3.48Å
28	T	65.4	Low	64.1	Low	13 Å²	13	79.5 Å²	79.5	8%	0.08	42%	0.421	C	S	.	.	H	α-helix	trans	-64.5	-44.1	178.4	-54.7	0	0	0	0	111.4	T24 I25 T26 M31 L32 V105 V109	T24-T28 WeakPolarHBondContact O-CB 3.45Å; T24-T28 PolarHBondContact O-N 3.11Å; T24-T28 PolarHBondContact O-OG1 3.31Å; I25-T28 WeakPolarHBondContact O-CB 3.22Å; I25-T28 PolarHBondContact O-N 3.11Å; T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact O-N 3.38Å; T28-M31 PolarHBondContact O-N 2.96Å; T28-L32 WeakPolarHBondContact O-CG 3.42Å; T28-L32 PolarHBondContact O-N 3.33Å; T28-V105 HydrophobicContact CG2-CG1 3.9Å; T28-V109 HydrophobicContact CG2-CG2 3.44Å; T28-V109 VanDerWaalsContact CG2-CG2 3.44Å
29	I	66.3	Low	61.8	Low	91 Å²	91	75.2 Å²	75.2	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-39.3	176.2	-67.8	169.1	0	0	0	111.4	I25 T26 L32 S33	I25-I29 HydrophobicContact CG2-CD1 3.64Å; I25-I29 HydrophobicContact CG2-CG1 4.34Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 2.88Å; T26-I29 PolarHBondContact O-N 3.38Å; I29-L32 PolarHBondContact O-N 3.39Å; I29-S33 VanDerWaalsContact O-CB 3.3Å; I29-S33 WeakPolarHBondContact O-CB 3.28Å; I29-S33 PolarHBondContact O-N 2.81Å; I29-S33 PolarHBondContact O-OG 3.33Å
30	C	64	Low	59.3	Low	61 Å²	61	76.8 Å²	76.8	41%	0.412	44%	0.435	S	S	.	.	H	α-helix	trans	-65.3	-43.1	175.7	-74.2	0	0	0	0	111.2	T26 L27 S33 M34	T26-C30 VanDerWaalsContact O-CB 3.27Å; T26-C30 WeakPolarHBondContact O-CB 3.33Å; T26-C30 PolarHBondContact O-N 3.41Å; T26-C30 PolarHBondContact O-SG 2.91Å; L27-C30 PolarHBondContact O-N 2.85Å; C30-S33 CarbonylContact O-C 3.13Å; C30-S33 PolarHBondContact O-N 3.11Å; C30-S33 VanDerWaalsContact O-N 3.13Å; C30-M34 WeakPolarHBondContact O-CB 3.05Å; C30-M34 WeakPolarHBondContact O-CG 3.44Å; C30-M34 PolarHBondContact O-N 3.28Å
31	M	60.5	Low	57	Low	85 Å²	85	82.7 Å²	82.7	42%	0.419	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-41.2	174	-74.2	-69	-165.2	0	0	111.9	L27 T28 S33 V109 F113	L27-M31 WeakPolarHBondContact O-CB 3.32Å; L27-M31 VanDerWaalsContact O-CG 3.25Å; L27-M31 WeakPolarHBondContact O-CG 3.42Å; L27-M31 PolarHBondContact O-N 3.48Å; T28-M31 PolarHBondContact O-N 2.96Å; M31-S33 VanDerWaalsContact C-N 3.29Å; M31-S33 PolarHBondContact O-N 3.06Å; M31-V109 HydrophobicContact CB-CG1 3.57Å; M31-F113 HydrophobicContact SD-CE2 4.29Å
32	L	56.7	Low	54.7	Low	60 Å²	60	91.5 Å²	91.5	31%	0.314	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-36.4	171.9	-78	165.3	0	0	0	112.5	T28 I29 M36 V109	T28-L32 WeakPolarHBondContact O-CG 3.42Å; T28-L32 PolarHBondContact O-N 3.33Å; I29-L32 PolarHBondContact O-N 3.39Å; L32-M36 WeakPolarHBondContact O-CG 3.35Å; L32-V109 HydrophobicContact CD1-CG2 3.74Å; L32-V109 HydrophobicContact CD2-CB 4.32Å; L32-V109 HydrophobicContact CD2-CG1 4.44Å; L32-V109 HydrophobicContact CD2-CG2 3.73Å; L32-V109 HydrophobicContact CG-CB 4.32Å; L32-V109 HydrophobicContact CG-CG1 4.2Å; L32-V109 HydrophobicContact CG-CG2 3.49Å; L32-V109 VanDerWaalsContact CG-CG2 3.49Å
33	S	54.3	Low	52.6	Low	65 Å²	65	95.3 Å²	95.3	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-82.9	-28.9	-176.8	-56.9	0	0	0	0	113.4	I29 C30 M31 N35 M36	I29-S33 VanDerWaalsContact O-CB 3.3Å; I29-S33 WeakPolarHBondContact O-CB 3.28Å; I29-S33 PolarHBondContact O-N 2.81Å; I29-S33 PolarHBondContact O-OG 3.33Å; C30-S33 CarbonylContact O-C 3.13Å; C30-S33 PolarHBondContact O-N 3.11Å; C30-S33 VanDerWaalsContact O-N 3.13Å; M31-S33 VanDerWaalsContact C-N 3.29Å; M31-S33 PolarHBondContact O-N 3.06Å; S33-N35 VanDerWaalsContact C-N 3.33Å; S33-N35 PolarHBondContact O-N 3.2Å; S33-M36 PolarHBondContact O-N 3.41Å
34	M	54.4	Low	50.5	Low	140 Å²	140	96.5 Å²	96.5	69%	0.69	52%	0.524	S	S	*	.	H	α-helix	trans	-72.6	-21.7	-176.5	-72.9	-109.3	69.6	0	0	113.4	C30	C30-M34 WeakPolarHBondContact O-CB 3.05Å; C30-M34 WeakPolarHBondContact O-CG 3.44Å; C30-M34 PolarHBondContact O-N 3.28Å
35	N	40.3	Very low	48.7	Very low	44 Å²	44	97.3 Å²	97.3	24%	0.235	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	2.4	173.9	-82.8	1	0	0	0	114.3	S33 F37	S33-N35 VanDerWaalsContact C-N 3.33Å; S33-N35 PolarHBondContact O-N 3.2Å; N35-F37 PolarHBondContact O-N 3Å
36	M	36.9	Very low	46.9	Very low	138 Å²	138	103.1 Å²	103.1	68%	0.68	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-7.3	172.9	-79.4	-79.7	-60.5	0	0	113.5	L32 S33	L32-M36 WeakPolarHBondContact O-CG 3.35Å; S33-M36 PolarHBondContact O-N 3.41Å
37	F	35.7	Very low	44.9	Very low	191 Å²	191	104.9 Å²	104.9	84%	0.838	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	1.4	-173.4	-84	-77.4	0	0	0	116	N35	N35-F37 PolarHBondContact O-N 3Å
38	T	37.8	Very low	43.3	Very low	105 Å²	105	104.4 Å²	104.4	64%	0.644	56%	0.557	S	S	*	*	S	Bend	trans	-144.6	82.9	177.9	55.4	0	0	0	0	111.1
39	G	31	Very low	41.8	Very low	58 Å²	58	109.6 Å²	109.6	60%	0.598	59%	0.585	S	S	*	*			trans	-175.2	86.6	175.4	0	0	0	0	0	109	D41	G39-D41 VanDerWaalsContact C-N 3.33Å; G39-D41 PolarHBondContact O-N 3.11Å; G39-D41 VanDerWaalsContact O-N 3.13Å
40	N	34.1	Very low	40.5	Very low	164 Å²	164	108.7 Å²	108.7	88%	0.877	59%	0.585	S	S	*	*			trans	-84	78.4	-178.9	-165.6	61.7	0	0	0	108.8
41	D	34.4	Very low	38.9	Very low	153 Å²	153	111 Å²	111	82%	0.818	60%	0.6	S	S	*	*	S	Bend	trans	-142	131.6	161.9	-85.7	-38.9	0	0	0	109.8	G39 I43	G39-D41 VanDerWaalsContact C-N 3.33Å; G39-D41 PolarHBondContact O-N 3.11Å; G39-D41 VanDerWaalsContact O-N 3.13Å; D41-I43 PolarHBondContact O-N 3.31Å
42	Q	32	Very low	37.6	Very low	198 Å²	198	116.1 Å²	116.1	93%	0.925	62%	0.62	S	S	*	*			trans	-58.1	106.1	-170.5	-78.4	172.6	-20.8	0	0	111.8	C44	Q42-C44 PolarHBondContact O-N 2.89Å; Q42-C44 VanDerWaalsContact O-N 3.13Å
43	I	34.3	Very low	36.4	Very low	160 Å²	160	119.7 Å²	119.7	82%	0.821	64%	0.644	S	S	*	*			trans	-58.7	114.1	163.7	-60.3	165.5	0	0	0	107.1	D41 G45	D41-I43 PolarHBondContact O-N 3.31Å; I43-G45 PolarHBondContact O-N 2.94Å
44	C	34.8	Very low	35.3	Very low	64 Å²	64	125.5 Å²	125.5	43%	0.432	66%	0.664	S	S	.	*			trans	-64.6	92	166.5	-159	0	0	0	0	106.1	Q42 C50	Q42-C44 PolarHBondContact O-N 2.89Å; Q42-C44 VanDerWaalsContact O-N 3.13Å; C44-C50 HydrophobicContact CB-CB 4.5Å; C44-C50 WeakPolarHBondContact CB-SG 3.38Å; C44-C50 WeakPolarHBondContact SG-CB 3.45Å; C44-C50 CovalentContact SG-SG 2.08Å; C44-C50 PolarHBondContact SG-SG 2.95Å
45	G	34.3	Very low	34.4	Very low	31 Å²	31	126.6 Å²	126.6	32%	0.32	67%	0.668	S	S	.	*			trans	-67.7	158.6	-178.9	0	0	0	0	0	110.7	I43 N47 L48	I43-G45 PolarHBondContact O-N 2.94Å; G45-N47 PolarHBondContact O-N 2.98Å; G45-L48 PolarHBondContact O-N 3.45Å; G45-L48 VanDerWaalsContact O-N 3.07Å
46	W	35	Very low	34	Very low	189 Å²	189	133.7 Å²	133.7	72%	0.716	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-2.4	-171.6	-70.8	37	0	0	0	115.8	Y311 R314	W46-Y311 HydrophobicContact CE3-CE1 4.1Å; W46-Y311 HydrophobicContact CZ3-CE1 4.46Å; W46-R314 PolarHBondContact O-NH1 3.49Å
47	N	31.6	Very low	34.2	Very low	106 Å²	106	132.3 Å²	132.3	57%	0.567	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	7.9	-178.7	-79.7	-17.1	0	0	0	114.7	G45	G45-N47 PolarHBondContact O-N 2.98Å
48	L	36.6	Very low	34.5	Very low	76 Å²	76	128.9 Å²	128.9	40%	0.398	68%	0.684	S	S	.	*	B	Isolated β-bridge	trans	-127.8	131.4	174.1	-88.9	89.5	0	0	0	111.2	G45 P298	G45-L48 PolarHBondContact O-N 3.45Å; G45-L48 VanDerWaalsContact O-N 3.07Å; L48-P298 HydrophobicContact CD2-CB 3.83Å; L48-P298 HydrophobicContact CD2-CG 3.73Å
49	D	33.7	Very low	35	Very low	123 Å²	123	128.3 Å²	128.3	66%	0.658	68%	0.684	S	S	*	*			trans	-82.7	113.7	164.3	-90.5	-24.7	0	0	0	109.1
50	C	37.7	Very low	36	Very low	71 Å²	71	127.8 Å²	127.8	48%	0.48	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-86.9	136.7	170.2	-74.8	0	0	0	0	108.9	C44 K52	C44-C50 HydrophobicContact CB-CB 4.5Å; C44-C50 WeakPolarHBondContact CB-SG 3.38Å; C44-C50 WeakPolarHBondContact SG-CB 3.45Å; C44-C50 CovalentContact SG-SG 2.08Å; C44-C50 PolarHBondContact SG-SG 2.95Å; C50-K52 PolarHBondContact O-N 2.76Å
51	P	30.4	Very low	36.8	Very low	110 Å²	110	124.1 Å²	124.1	71%	0.714	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-66.5	120.9	178.8	26.3	-30.6	0	0	0	109.6	T53	P51-T53 PolarHBondContact O-N 3.01Å
52	K	34.3	Very low	37.9	Very low	192 Å²	192	120.8 Å²	120.8	84%	0.835	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-69.2	124.8	170.5	-67.9	-178.8	180	179.7	0	107.9	C50 E54	C50-K52 PolarHBondContact O-N 2.76Å; K52-E54 PolarHBondContact O-N 3.32Å
53	T	31.2	Very low	39.2	Very low	136 Å²	136	116.2 Å²	116.2	83%	0.834	61%	0.614	S	S	*	*			trans	-66.3	103.1	161.2	-24.5	0	0	0	0	105.6	P51 E55	P51-T53 PolarHBondContact O-N 3.01Å; T53-E55 PolarHBondContact O-N 2.89Å
54	E	30.1	Very low	40.4	Very low	186 Å²	186	113.2 Å²	113.2	87%	0.869	60%	0.598	S	S	*	*			trans	-67.4	86.6	169.7	-76	179.9	160.9	0	0	107.7	K52	K52-E54 PolarHBondContact O-N 3.32Å
55	E	36.2	Very low	41.4	Very low	163 Å²	163	111.6 Å²	111.6	76%	0.762	59%	0.585	S	S	*	*			trans	-71.4	127.1	147.2	-77.3	-172.7	162.4	0	0	106.3	T53 I57	T53-E55 PolarHBondContact O-N 2.89Å; E55-I57 VanDerWaalsContact C-N 3.28Å; E55-I57 PolarHBondContact O-N 3.26Å
56	E	33	Very low	42.7	Very low	193 Å²	193	111.2 Å²	111.2	90%	0.902	58%	0.576	S	S	*	*			trans	-59.2	89.7	175.8	-76.7	-177.9	146.3	0	0	109.7	L58	E56-L58 PolarHBondContact O-N 3.22Å; E56-L58 VanDerWaalsContact O-N 3.12Å
57	I	40.3	Very low	44.2	Very low	110 Å²	110	106.6 Å²	106.6	56%	0.564	57%	0.565	S	S	*	*			trans	-66.3	111.6	168.9	-61.9	172.7	0	0	0	106.4	E55 S59 D61 I62	E55-I57 VanDerWaalsContact C-N 3.28Å; E55-I57 PolarHBondContact O-N 3.26Å; I57-S59 PolarHBondContact O-N 2.84Å; I57-D61 HydrophobicContact CG2-CB 4.04Å; I57-I62 HydrophobicContact CG2-CG1 4.27Å
58	L	41.3	Very low	45.6	Very low	119 Å²	119	102.7 Å²	102.7	62%	0.623	55%	0.545	S	S	*	.			trans	-55	135.3	173.7	-107.7	116.1	0	0	0	109.3	E56 S60 D61	E56-L58 PolarHBondContact O-N 3.22Å; E56-L58 VanDerWaalsContact O-N 3.12Å; L58-S60 PolarHBondContact O-N 3.47Å; L58-D61 PolarHBondContact O-N 2.9Å
59	S	48.9	Very low	46.9	Very low	92 Å²	92	101.1 Å²	101.1	64%	0.643	53%	0.534	S	S	*	.	H	α-helix	trans	-52.3	-14.8	174.8	48.4	0	0	0	0	114.8	I57 I63	I57-S59 PolarHBondContact O-N 2.84Å; S59-I63 WeakPolarHBondContact O-CG1 3.48Å
60	S	51.1	Low	48.5	Very low	47 Å²	47	96.8 Å²	96.8	33%	0.329	51%	0.512	S	S	.	.	H	α-helix	trans	-71.4	-34.1	172.1	54.5	0	0	0	0	114.3	L58 I63 I64	L58-S60 PolarHBondContact O-N 3.47Å; S60-I63 PolarHBondContact O-N 3.48Å; S60-I64 VanDerWaalsContact O-CG1 3.25Å; S60-I64 WeakPolarHBondContact O-CG1 3.29Å; S60-I64 PolarHBondContact O-N 3.37Å
61	D	52.5	Low	50	Low	87 Å²	87	97.9 Å²	97.9	47%	0.465	51%	0.512	S	S	.	.	H	α-helix	trans	-73.5	-35.3	-173.8	-69.5	-9.5	0	0	0	111.3	I57 L58 I64 L65	I57-D61 HydrophobicContact CG2-CB 4.04Å; L58-D61 PolarHBondContact O-N 2.9Å; D61-I64 PolarHBondContact O-N 3.1Å; D61-L65 VanDerWaalsContact O-CB 3.24Å; D61-L65 WeakPolarHBondContact O-CB 3.28Å; D61-L65 PolarHBondContact O-N 2.9Å
62	I	56.3	Low	51.5	Low	83 Å²	83	92.7 Å²	92.7	43%	0.426	48%	0.479	S	S	.	.	H	α-helix	trans	-59.6	-45.4	171.4	-63.8	176.6	0	0	0	110.6	I57 T66 E321	I57-I62 HydrophobicContact CG2-CG1 4.27Å; I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 PolarHBondContact O-N 3.02Å; I62-T66 PolarHBondContact O-OG1 3.19Å; I62-E321 WeakPolarHBondContact CG2-OE1 3.35Å
63	I	59	Low	53.1	Low	103 Å²	103	85.3 Å²	85.3	53%	0.528	45%	0.448	S	S	.	.	H	α-helix	trans	-66.7	-45.3	178.5	-64.6	170.2	0	0	0	110.7	S59 S60 T66 I67	S59-I63 WeakPolarHBondContact O-CG1 3.48Å; S60-I63 PolarHBondContact O-N 3.48Å; I63-T66 PolarHBondContact O-N 3.46Å; I63-I67 HydrophobicContact CG2-CD1 3.78Å; I63-I67 HydrophobicContact CG2-CG1 4.44Å; I63-I67 VanDerWaalsContact O-CG1 3.26Å; I63-I67 WeakPolarHBondContact O-CG1 3.32Å; I63-I67 PolarHBondContact O-N 3.31Å
64	I	59.6	Low	55	Low	97 Å²	97	81.3 Å²	81.3	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-63.8	-42.8	180	-68.9	165.6	0	0	0	110.8	S60 D61 I67 T68	S60-I64 VanDerWaalsContact O-CG1 3.25Å; S60-I64 WeakPolarHBondContact O-CG1 3.29Å; S60-I64 PolarHBondContact O-N 3.37Å; D61-I64 PolarHBondContact O-N 3.1Å; I64-I67 PolarHBondContact O-N 3.49Å; I64-T68 WeakPolarHBondContact O-CB 3.45Å; I64-T68 PolarHBondContact O-N 2.74Å; I64-T68 PolarHBondContact O-OG1 2.91Å
65	L	57.2	Low	56.7	Low	29 Å²	29	76.2 Å²	76.2	15%	0.152	40%	0.397	C	S	.	.	H	α-helix	trans	-66.8	-39.9	178.8	-165.7	69	0	0	0	111.5	D61 T68 R69 E123	D61-L65 VanDerWaalsContact O-CB 3.24Å; D61-L65 WeakPolarHBondContact O-CB 3.28Å; D61-L65 PolarHBondContact O-N 2.9Å; L65-T68 PolarHBondContact O-N 2.97Å; L65-R69 WeakPolarHBondContact O-CB 3.41Å; L65-R69 VanDerWaalsContact O-CG 3.32Å; L65-R69 WeakPolarHBondContact O-CG 3.45Å; L65-R69 PolarHBondContact O-N 3.39Å; L65-E123 HydrophobicContact CD1-CB 4.35Å; L65-E123 HydrophobicContact CD2-CG 3.99Å
66	T	60.8	Low	58.1	Low	23 Å²	23	70.2 Å²	70.2	14%	0.141	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-42.9	174.4	-65.2	0	0	0	0	112.1	I62 I63 R69 C70 E321	I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 PolarHBondContact O-N 3.02Å; I62-T66 PolarHBondContact O-OG1 3.19Å; I63-T66 PolarHBondContact O-N 3.46Å; T66-R69 PolarHBondContact O-N 2.96Å; T66-C70 PolarHBondContact O-N 2.91Å; T66-C70 PolarHBondContact O-SG 3.15Å; T66-E321 VanDerWaalsContact OG1-CD 3.29Å; T66-E321 WeakPolarHBondContact OG1-CG 3.34Å; T66-E321 PolarHBondContact OG1-OE1 2.88Å
67	I	66.3	Low	59.8	Low	92 Å²	92	62 Å²	62	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-45.6	175.2	-70.7	168.1	0	0	0	110.5	I63 I64 R69 C70 I71	I63-I67 HydrophobicContact CG2-CD1 3.78Å; I63-I67 HydrophobicContact CG2-CG1 4.44Å; I63-I67 VanDerWaalsContact O-CG1 3.26Å; I63-I67 WeakPolarHBondContact O-CG1 3.32Å; I63-I67 PolarHBondContact O-N 3.31Å; I64-I67 PolarHBondContact O-N 3.49Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.41Å; I67-C70 PolarHBondContact O-N 2.79Å; I67-I71 HydrophobicContact CG2-CD1 3.74Å; I67-I71 HydrophobicContact CG2-CG1 4.37Å; I67-I71 WeakPolarHBondContact O-CG1 3.32Å; I67-I71 PolarHBondContact O-N 3.49Å
68	T	61.1	Low	61.1	Low	24 Å²	24	62.3 Å²	62.3	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-41.3	179.7	-54.4	0	0	0	0	111.3	I64 L65 I71 A72 P126 F127 L130	I64-T68 WeakPolarHBondContact O-CB 3.45Å; I64-T68 PolarHBondContact O-N 2.74Å; I64-T68 PolarHBondContact O-OG1 2.91Å; L65-T68 PolarHBondContact O-N 2.97Å; T68-I71 PolarHBondContact O-N 3.17Å; T68-A72 WeakPolarHBondContact O-CB 3.27Å; T68-A72 PolarHBondContact O-N 2.81Å; T68-P126 HydrophobicContact CG2-CB 4.04Å; T68-F127 HydrophobicContact CG2-CE1 4.36Å; T68-F127 HydrophobicContact CG2-CZ 4.29Å; T68-L130 HydrophobicContact CG2-CD1 4.1Å
69	R	64.8	Low	62.1	Low	44 Å²	44	57.6 Å²	57.6	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-44.1	173	-75.8	170.4	178.7	169.9	5.2	112.5	L65 T66 I67 A72 I73 N122 P126 E321	L65-R69 WeakPolarHBondContact O-CB 3.41Å; L65-R69 VanDerWaalsContact O-CG 3.32Å; L65-R69 WeakPolarHBondContact O-CG 3.45Å; L65-R69 PolarHBondContact O-N 3.39Å; T66-R69 PolarHBondContact O-N 2.96Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.41Å; R69-A72 PolarHBondContact O-N 3.31Å; R69-I73 WeakPolarHBondContact O-CG1 3.39Å; R69-I73 PolarHBondContact O-N 2.96Å; R69-N122 PolarHBondContact NH2-O 3.42Å; R69-P126 HydrophobicContact CG-CB 4.08Å; R69-P126 HydrophobicContact CG-CG 3.4Å; R69-P126 VanDerWaalsContact CG-CG 3.4Å; R69-E321 IonicContact CZ-OE2 3.83Å; R69-E321 IonicContact NH1-OE2 2.72Å; R69-E321 PolarHBondContact NH1-OE2 3.42Å
70	C	67	Low	62.8	Low	31 Å²	31	55 Å²	55	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-41.8	177.6	-67.9	0	0	0	0	112	T66 I67 I73 V74 L328	T66-C70 PolarHBondContact O-N 2.91Å; T66-C70 PolarHBondContact O-SG 3.15Å; I67-C70 PolarHBondContact O-N 2.79Å; C70-I73 PolarHBondContact O-N 3.26Å; C70-V74 WeakPolarHBondContact O-CG2 3.47Å; C70-V74 PolarHBondContact O-N 2.93Å; C70-L328 HydrophobicContact CB-CD2 4.08Å
71	I	68.8	Low	63.4	Low	94 Å²	94	55.1 Å²	55.1	48%	0.482	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-43.5	176	-67.5	169.3	0	0	0	110.5	I67 T68 I73 V74 Y75 L130	I67-I71 HydrophobicContact CG2-CD1 3.74Å; I67-I71 HydrophobicContact CG2-CG1 4.37Å; I67-I71 WeakPolarHBondContact O-CG1 3.32Å; I67-I71 PolarHBondContact O-N 3.49Å; T68-I71 PolarHBondContact O-N 3.17Å; I71-I73 VanDerWaalsContact C-N 3.34Å; I71-I73 PolarHBondContact O-N 3.04Å; I71-V74 PolarHBondContact O-N 3.34Å; I71-Y75 VanDerWaalsContact O-CB 3.31Å; I71-Y75 WeakPolarHBondContact O-CB 3.4Å; I71-Y75 PolarHBondContact O-N 3.19Å; I71-L130 HydrophobicContact CG2-CD2 4.35Å
72	A	62.7	Low	63.6	Low	1 Å²	1	53.5 Å²	53.5	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-42.8	177.1	0	0	0	0	0	112.1	T68 R69 Y75 I76 P126 L129 L130	T68-A72 WeakPolarHBondContact O-CB 3.27Å; T68-A72 PolarHBondContact O-N 2.81Å; R69-A72 PolarHBondContact O-N 3.31Å; A72-Y75 PolarHBondContact O-N 2.87Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.3Å; A72-I76 PolarHBondContact O-N 3.01Å; A72-P126 HydrophobicContact CB-CB 4.5Å; A72-L129 HydrophobicContact CB-CB 4.32Å; A72-L130 HydrophobicContact CB-CD2 4.47Å; A72-L130 HydrophobicContact CB-CG 4.27Å
73	I	66.8	Low	63.6	Low	37 Å²	37	50 Å²	50	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-42.9	176.9	-67.5	167.5	0	0	0	111.3	R69 C70 I71 I76 Y77 C325 L328 A329 L332	R69-I73 WeakPolarHBondContact O-CG1 3.39Å; R69-I73 PolarHBondContact O-N 2.96Å; C70-I73 PolarHBondContact O-N 3.26Å; I71-I73 VanDerWaalsContact C-N 3.34Å; I71-I73 PolarHBondContact O-N 3.04Å; I73-I76 PolarHBondContact O-N 2.75Å; I73-Y77 PolarHBondContact O-N 3.16Å; I73-C325 HydrophobicContact CD1-CB 3.92Å; I73-L328 HydrophobicContact CB-CD2 4.33Å; I73-L328 HydrophobicContact CG2-CD2 4.15Å; I73-L328 HydrophobicContact CG2-CG 4.18Å; I73-A329 HydrophobicContact CG2-CB 4.46Å; I73-L332 HydrophobicContact CG2-CD1 3.77Å
74	V	70.6	Confident	63.5	Low	52 Å²	52	47.3 Å²	47.3	32%	0.315	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-39.9	177.5	170.7	0	0	0	0	111.5	C70 I71 Y77 F78 L332	C70-V74 WeakPolarHBondContact O-CG2 3.47Å; C70-V74 PolarHBondContact O-N 2.93Å; I71-V74 PolarHBondContact O-N 3.34Å; V74-Y77 WeakPolarHBondContact O-CB 3.37Å; V74-Y77 PolarHBondContact O-N 3.47Å; V74-F78 HydrophobicContact CG1-CD2 3.64Å; V74-F78 HydrophobicContact CG1-CE2 3.44Å; V74-F78 VanDerWaalsContact CG1-CE2 3.44Å; V74-F78 VanDerWaalsContact O-CD2 3.26Å; V74-F78 WeakPolarHBondContact O-CD2 3.43Å; V74-F78 PolarHBondContact O-N 2.91Å; V74-L332 HydrophobicContact CG2-CD1 4.43Å
75	Y	67.2	Low	63.3	Low	80 Å²	80	49.8 Å²	49.8	31%	0.314	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-46.3	175.9	179.1	-111.6	0	0	0	111.6	I71 A72 Y77 F78 Q79 L130	I71-Y75 VanDerWaalsContact O-CB 3.31Å; I71-Y75 WeakPolarHBondContact O-CB 3.4Å; I71-Y75 PolarHBondContact O-N 3.19Å; A72-Y75 PolarHBondContact O-N 2.87Å; Y75-Y77 VanDerWaalsContact C-N 3.33Å; Y75-Y77 PolarHBondContact O-N 3.43Å; Y75-F78 PolarHBondContact O-N 3.45Å; Y75-Q79 HydrophobicContact CE1-CG 4.33Å; Y75-Q79 HydrophobicContact CE2-CG 4.43Å; Y75-Q79 WeakPolarHBondContact O-CG 3.4Å; Y75-Q79 PolarHBondContact O-N 2.86Å; Y75-Q79 PolarHBondContact OH-NE2 3.14Å; Y75-L130 HydrophobicContact CD1-CD2 4.28Å; Y75-L130 HydrophobicContact CG-CD2 4.38Å
76	I	63.9	Low	63.1	Low	36 Å²	36	50.6 Å²	50.6	19%	0.185	25%	0.25	C	C	.	.	H	α-helix	trans	-58.8	-45.4	174	-69	165.6	0	0	0	110.7	A72 I73 F78 Q79 F80 L129	A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.3Å; A72-I76 PolarHBondContact O-N 3.01Å; I73-I76 PolarHBondContact O-N 2.75Å; I76-F78 PolarHBondContact O-N 2.78Å; I76-Q79 PolarHBondContact O-N 2.82Å; I76-F80 HydrophobicContact CG2-CD2 3.54Å; I76-F80 HydrophobicContact CG2-CE2 3.5Å; I76-F80 VanDerWaalsContact CG2-CE2 3.5Å; I76-F80 VanDerWaalsContact O-CD2 3.26Å; I76-F80 WeakPolarHBondContact O-CD2 3.22Å; I76-F80 PolarHBondContact O-N 3.25Å; I76-L129 HydrophobicContact CD1-CB 4.12Å; I76-L129 HydrophobicContact CD1-CD1 3.89Å; I76-L129 HydrophobicContact CD1-CD2 3.92Å; I76-L129 HydrophobicContact CD1-CG 4.18Å
77	Y	69.8	Low	62.6	Low	21 Å²	21	50.2 Å²	50.2	8%	0.082	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-46	176.6	172	-96.9	0	0	0	112.4	I73 V74 Y75 Q79 F80 Q81 L332 Y336	I73-Y77 PolarHBondContact O-N 3.16Å; V74-Y77 WeakPolarHBondContact O-CB 3.37Å; V74-Y77 PolarHBondContact O-N 3.47Å; Y75-Y77 VanDerWaalsContact C-N 3.33Å; Y75-Y77 PolarHBondContact O-N 3.43Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.04Å; Y77-F80 PolarHBondContact O-N 3.19Å; Y77-Q81 WeakPolarHBondContact O-CB 3.28Å; Y77-Q81 PolarHBondContact O-N 2.91Å; Y77-L332 HydrophobicContact CD1-CD2 4.16Å; Y77-L332 HydrophobicContact CD2-CB 3.94Å; Y77-L332 HydrophobicContact CD2-CD2 4.05Å; Y77-L332 HydrophobicContact CD2-CG 4.45Å; Y77-L332 HydrophobicContact CE1-CD2 4.32Å; Y77-L332 HydrophobicContact CE2-CB 4.45Å; Y77-L332 HydrophobicContact CE2-CD2 4.23Å; Y77-L332 HydrophobicContact CG-CB 4.42Å; Y77-L332 HydrophobicContact CG-CD1 4.38Å; Y77-L332 HydrophobicContact CG-CD2 4.02Å; Y77-Y336 HydrophobicContact CE2-CD2 4.31Å
78	F	66.9	Low	62	Low	117 Å²	117	48.2 Å²	48.2	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-37.3	175.8	-81.1	-60.5	0	0	0	112.7	V74 Y75 I76 Q81 S82	V74-F78 HydrophobicContact CG1-CD2 3.64Å; V74-F78 HydrophobicContact CG1-CE2 3.44Å; V74-F78 VanDerWaalsContact CG1-CE2 3.44Å; V74-F78 VanDerWaalsContact O-CD2 3.26Å; V74-F78 WeakPolarHBondContact O-CD2 3.43Å; V74-F78 PolarHBondContact O-N 2.91Å; Y75-F78 PolarHBondContact O-N 3.45Å; I76-F78 PolarHBondContact O-N 2.78Å; F78-Q81 WeakPolarHBondContact O-CB 3.2Å; F78-Q81 PolarHBondContact O-N 2.89Å; F78-S82 PolarHBondContact O-N 3.4Å
79	Q	62.8	Low	61.6	Low	20 Å²	20	52.2 Å²	52.2	9%	0.093	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-43.7	174.3	-74.3	-171.2	-14.7	0	0	111.6	Y75 I76 Y77 Q81 S82 L83 I132 L134	Y75-Q79 HydrophobicContact CE1-CG 4.33Å; Y75-Q79 HydrophobicContact CE2-CG 4.43Å; Y75-Q79 WeakPolarHBondContact O-CG 3.4Å; Y75-Q79 PolarHBondContact O-N 2.86Å; Y75-Q79 PolarHBondContact OH-NE2 3.14Å; I76-Q79 PolarHBondContact O-N 2.82Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.04Å; Q79-Q81 VanDerWaalsContact C-N 3.32Å; Q79-Q81 PolarHBondContact O-N 2.99Å; Q79-S82 PolarHBondContact O-N 2.89Å; Q79-L83 WeakPolarHBondContact O-CD1 3.49Å; Q79-L83 WeakPolarHBondContact O-CG 3.41Å; Q79-L83 PolarHBondContact O-N 3.02Å; Q79-I132 PolarHBondContact NE2-O 3.44Å; Q79-L134 VanDerWaalsContact OE1-CD1 3.32Å
80	F	62.9	Low	61.1	Low	37 Å²	37	58 Å²	58	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-36.2	173.5	-84.9	-73.9	0	0	0	112.7	I76 Y77 L83 R84 I100 Y336	I76-F80 HydrophobicContact CG2-CD2 3.54Å; I76-F80 HydrophobicContact CG2-CE2 3.5Å; I76-F80 VanDerWaalsContact CG2-CE2 3.5Å; I76-F80 VanDerWaalsContact O-CD2 3.26Å; I76-F80 WeakPolarHBondContact O-CD2 3.22Å; I76-F80 PolarHBondContact O-N 3.25Å; Y77-F80 PolarHBondContact O-N 3.19Å; F80-L83 HydrophobicContact CD1-CD1 4.31Å; F80-L83 WeakPolarHBondContact O-CB 3.49Å; F80-L83 PolarHBondContact O-N 3.22Å; F80-R84 PolarHBondContact O-N 3Å; F80-I100 HydrophobicContact CE2-CD1 3.81Å; F80-I100 HydrophobicContact CZ-CD1 3.71Å; F80-Y336 HydrophobicContact CB-CE2 4.12Å
81	Q	63.8	Low	60.7	Low	50 Å²	50	58 Å²	58	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-44.7	173.6	-170.2	179.4	29.4	0	0	111.7	Y77 F78 Q79 L83 R84 Q85 E340	Y77-Q81 WeakPolarHBondContact O-CB 3.28Å; Y77-Q81 PolarHBondContact O-N 2.91Å; F78-Q81 WeakPolarHBondContact O-CB 3.2Å; F78-Q81 PolarHBondContact O-N 2.89Å; Q79-Q81 VanDerWaalsContact C-N 3.32Å; Q79-Q81 PolarHBondContact O-N 2.99Å; Q81-L83 VanDerWaalsContact C-N 3.3Å; Q81-L83 PolarHBondContact O-N 3.39Å; Q81-R84 PolarHBondContact O-N 3.23Å; Q81-Q85 PolarHBondContact O-N 2.9Å; Q81-E340 WeakPolarHBondContact CG-OE1 3.25Å; Q81-E340 PolarHBondContact NE2-OE1 3.26Å
82	S	58.1	Low	60.1	Low	53 Å²	53	54.1 Å²	54.1	37%	0.371	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-37.3	175.4	-174.2	0	0	0	0	112	F78 Q79 L86	F78-S82 PolarHBondContact O-N 3.4Å; Q79-S82 PolarHBondContact O-N 2.89Å; S82-L86 VanDerWaalsContact O-CD1 3.26Å; S82-L86 WeakPolarHBondContact O-CD1 3.49Å; S82-L86 VanDerWaalsContact O-CG 3.3Å; S82-L86 WeakPolarHBondContact O-CG 3.25Å
83	L	56.1	Low	60.1	Low	10 Å²	10	55.2 Å²	55.2	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-41.8	173.8	-79.7	153.6	0	0	0	111.4	Q79 F80 Q81 Q85 L86 L92 L134 C138	Q79-L83 WeakPolarHBondContact O-CD1 3.49Å; Q79-L83 WeakPolarHBondContact O-CG 3.41Å; Q79-L83 PolarHBondContact O-N 3.02Å; F80-L83 HydrophobicContact CD1-CD1 4.31Å; F80-L83 WeakPolarHBondContact O-CB 3.49Å; F80-L83 PolarHBondContact O-N 3.22Å; Q81-L83 VanDerWaalsContact C-N 3.3Å; Q81-L83 PolarHBondContact O-N 3.39Å; L83-Q85 PolarHBondContact O-N 3.09Å; L83-L86 PolarHBondContact O-N 2.97Å; L83-L92 HydrophobicContact CB-CD2 4.48Å; L83-L92 HydrophobicContact CD2-CD1 4.3Å; L83-L92 HydrophobicContact CD2-CD2 3.73Å; L83-L92 HydrophobicContact CD2-CG 3.64Å; L83-L134 HydrophobicContact CD1-CD1 4.48Å; L83-C138 HydrophobicContact CD2-CB 4.44Å; L83-C138 WeakPolarHBondContact CD2-SG 3.43Å; L83-C138 VanDerWaalsContact CG-SG 3.51Å
84	R	56.3	Low	59.8	Low	45 Å²	45	58 Å²	58	17%	0.17	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-31.6	-177.5	-157.3	-177.9	-165.4	178.6	7.6	113.6	F80 Q81 L86 Y336 E340	F80-R84 PolarHBondContact O-N 3Å; Q81-R84 PolarHBondContact O-N 3.23Å; R84-L86 PolarHBondContact O-N 2.87Å; R84-Y336 PolarHBondContact NH1-O 3.46Å; R84-Y336 PolarHBondContact NH2-O 3.02Å; R84-E340 VanDerWaalsContact NH1-CB 3.27Å; R84-E340 IonicContact NH1-OE2 2.78Å; R84-E340 PolarHBondContact NH1-OE2 2.67Å
85	Q	55.4	Low	59.2	Low	150 Å²	150	55.7 Å²	55.7	70%	0.701	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.9	175.9	-73.1	-176.5	-4.2	0	0	113.5	Q81 L83	Q81-Q85 PolarHBondContact O-N 2.9Å; L83-Q85 PolarHBondContact O-N 3.09Å
86	L	52.3	Low	59.1	Low	46 Å²	46	52 Å²	52	24%	0.241	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-6.6	-167.2	-63.8	170.7	0	0	0	115.2	S82 L83 R84 C138 K142	S82-L86 VanDerWaalsContact O-CD1 3.26Å; S82-L86 WeakPolarHBondContact O-CD1 3.49Å; S82-L86 VanDerWaalsContact O-CG 3.3Å; S82-L86 WeakPolarHBondContact O-CG 3.25Å; L83-L86 PolarHBondContact O-N 2.97Å; R84-L86 PolarHBondContact O-N 2.87Å; L86-C138 HydrophobicContact CD1-CB 3.98Å; L86-K142 VanDerWaalsContact CD1-CE 3.46Å; L86-K142 VanDerWaalsContact CD2-CE 3.44Å; L86-K142 VanDerWaalsContact CD2-NZ 3.29Å
87	G	50.6	Low	59.1	Low	15 Å²	15	55.6 Å²	55.6	16%	0.155	28%	0.279	C	S	.	.	S	Bend	trans	154.9	175	175.7	0	0	0	0	0	115.9
88	S	53.8	Low	58.6	Low	50 Å²	50	58.4 Å²	58.4	35%	0.35	29%	0.291	S	S	.	.			trans	-18.1	127.2	-167.5	-177.6	0	0	0	0	118	Y90	S88-Y90 PolarHBondContact O-N 2.88Å
89	K	52.8	Low	58.4	Low	107 Å²	107	53 Å²	53	47%	0.465	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-23	-173	-72.6	-178.4	177.5	-179.9	0	116.5
90	Y	55.5	Low	58.5	Low	166 Å²	166	53.7 Å²	53.7	65%	0.651	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-35.5	-170.9	-63.5	-79.7	0	0	0	114.6	S88 I94	S88-Y90 PolarHBondContact O-N 2.88Å; Y90-I94 WeakPolarHBondContact O-CB 3.25Å; Y90-I94 WeakPolarHBondContact O-CD1 3.32Å; Y90-I94 WeakPolarHBondContact O-CG1 3.39Å; Y90-I94 PolarHBondContact O-N 2.86Å
91	I	57.3	Low	58.5	Low	30 Å²	30	58 Å²	58	15%	0.154	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-47	-172	-72.3	167.5	0	0	0	111.9	A95 V219 L220 S223	I91-A95 PolarHBondContact O-N 3.23Å; I91-V219 HydrophobicContact CB-CG1 4.14Å; I91-V219 HydrophobicContact CG1-CG1 4.11Å; I91-V219 HydrophobicContact CG2-CG1 3.64Å; I91-L220 HydrophobicContact CG2-CD2 4.21Å; I91-S223 WeakPolarHBondContact CD1-OG 3.27Å; I91-S223 WeakPolarHBondContact CG1-OG 3.38Å
92	L	57.6	Low	58.4	Low	13 Å²	13	56.4 Å²	56.4	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-79.4	-29.7	-176	-163.2	62.6	0	0	0	112.1	L83 G96 A141	L83-L92 HydrophobicContact CB-CD2 4.48Å; L83-L92 HydrophobicContact CD2-CD1 4.3Å; L83-L92 HydrophobicContact CD2-CD2 3.73Å; L83-L92 HydrophobicContact CD2-CG 3.64Å; L92-G96 PolarHBondContact O-N 2.99Å; L92-A141 HydrophobicContact CD1-CB 3.45Å; L92-A141 VanDerWaalsContact CD1-CB 3.45Å
93	G	61.2	Low	58.7	Low	25 Å²	25	53.9 Å²	53.9	26%	0.258	27%	0.268	S	S	.	.	H	α-helix	trans	-67.1	-40.1	172.8	0	0	0	0	0	113	G96 L97	G93-G96 PolarHBondContact O-N 2.66Å; G93-L97 VanDerWaalsContact O-CB 3.3Å; G93-L97 WeakPolarHBondContact O-CB 3.48Å; G93-L97 PolarHBondContact O-N 3.33Å
94	I	60.7	Low	59	Low	96 Å²	96	57.7 Å²	57.7	49%	0.492	28%	0.284	S	S	.	.	H	α-helix	trans	-67	-43	175.3	-68.6	164.7	0	0	0	110.6	Y90 L97 F98	Y90-I94 WeakPolarHBondContact O-CB 3.25Å; Y90-I94 WeakPolarHBondContact O-CD1 3.32Å; Y90-I94 WeakPolarHBondContact O-CG1 3.39Å; Y90-I94 PolarHBondContact O-N 2.86Å; I94-L97 PolarHBondContact O-N 3.45Å; I94-F98 VanDerWaalsContact O-CB 3.26Å; I94-F98 WeakPolarHBondContact O-CB 3.3Å; I94-F98 PolarHBondContact O-N 3.02Å
95	A	59	Low	59.3	Low	3 Å²	3	57.7 Å²	57.7	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-42.1	176	0	0	0	0	0	112.4	I91 T99 F212 V216	I91-A95 PolarHBondContact O-N 3.23Å; A95-T99 WeakPolarHBondContact O-CB 3.26Å; A95-T99 PolarHBondContact O-N 2.83Å; A95-T99 PolarHBondContact O-OG1 2.84Å; A95-F212 HydrophobicContact CB-CE2 4.43Å; A95-V216 HydrophobicContact CB-CG2 4.36Å
96	G	63.5	Low	59.6	Low	3 Å²	3	52.5 Å²	52.5	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-45.8	175.4	0	0	0	0	0	113.1	L92 G93 F98 T99 I100	L92-G96 PolarHBondContact O-N 2.99Å; G93-G96 PolarHBondContact O-N 2.66Å; G96-F98 VanDerWaalsContact C-N 3.34Å; G96-F98 PolarHBondContact O-N 3.38Å; G96-T99 PolarHBondContact O-N 2.97Å; G96-I100 WeakPolarHBondContact O-CG1 3.4Å; G96-I100 PolarHBondContact O-N 3.39Å
97	L	64.9	Low	60	Low	111 Å²	111	50.9 Å²	50.9	58%	0.581	26%	0.256	S	S	*	.	H	α-helix	trans	-61	-43.5	177.4	-174.3	71.2	0	0	0	111.7	G93 I94 T99 I100 F101	G93-L97 VanDerWaalsContact O-CB 3.3Å; G93-L97 WeakPolarHBondContact O-CB 3.48Å; G93-L97 PolarHBondContact O-N 3.33Å; I94-L97 PolarHBondContact O-N 3.45Å; L97-T99 VanDerWaalsContact C-N 3.31Å; L97-T99 PolarHBondContact O-N 3.14Å; L97-I100 PolarHBondContact O-N 3.18Å; L97-F101 WeakPolarHBondContact O-CB 3.34Å; L97-F101 PolarHBondContact O-N 3.33Å
98	F	60.2	Low	60.5	Low	79 Å²	79	52.8 Å²	52.8	35%	0.346	27%	0.265	S	S	.	.	H	α-helix	trans	-69.4	-30.6	179.9	-158.1	-116.1	0	0	0	112.2	I94 G96 S102 F211 C215	I94-F98 VanDerWaalsContact O-CB 3.26Å; I94-F98 WeakPolarHBondContact O-CB 3.3Å; I94-F98 PolarHBondContact O-N 3.02Å; G96-F98 VanDerWaalsContact C-N 3.34Å; G96-F98 PolarHBondContact O-N 3.38Å; F98-S102 WeakPolarHBondContact O-CB 3.43Å; F98-S102 PolarHBondContact O-N 2.92Å; F98-F211 HydrophobicContact CD1-CD1 4.44Å; F98-F211 AromaticContact CD1-CE1 3.3Å; F98-F211 HydrophobicContact CD1-CE1 3.3Å; F98-F211 AromaticContact CD1-CZ 3.53Å; F98-F211 HydrophobicContact CD1-CZ 3.53Å; F98-F211 AromaticContact CE1-CE1 3.39Å; F98-F211 HydrophobicContact CE1-CE1 3.39Å; F98-F211 HydrophobicContact CE1-CE2 4.05Å; F98-F211 AromaticContact CE1-CZ 3.04Å; F98-F211 HydrophobicContact CE1-CZ 3.04Å; F98-F211 HydrophobicContact CG-CE1 4.3Å; F98-F211 HydrophobicContact CZ-CE1 4.4Å; F98-F211 AromaticContact CZ-CZ 3.78Å; F98-F211 HydrophobicContact CZ-CZ 3.78Å; F98-C215 VanDerWaalsContact CD1-SG 3.52Å
99	T	61.5	Low	60.7	Low	5 Å²	5	51 Å²	51	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-71.4	-43	174.9	-54.5	0	0	0	0	111.9	A95 G96 L97 S102 S103 V207 F212	A95-T99 WeakPolarHBondContact O-CB 3.26Å; A95-T99 PolarHBondContact O-N 2.83Å; A95-T99 PolarHBondContact O-OG1 2.84Å; G96-T99 PolarHBondContact O-N 2.97Å; L97-T99 VanDerWaalsContact C-N 3.31Å; L97-T99 PolarHBondContact O-N 3.14Å; T99-S102 PolarHBondContact O-N 3.41Å; T99-S103 WeakPolarHBondContact O-CB 2.87Å; T99-S103 PolarHBondContact O-N 2.79Å; T99-V207 HydrophobicContact CG2-CG1 3.97Å; T99-F212 HydrophobicContact CG2-CD2 4.3Å; T99-F212 VanDerWaalsContact OG1-CD2 3.24Å; T99-F212 WeakPolarHBondContact OG1-CD2 3.44Å
100	I	65.2	Low	60.9	Low	34 Å²	34	47 Å²	47	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-45.4	174.8	-66.4	165.8	0	0	0	110.1	F80 G96 L97 S103 F104 L134	F80-I100 HydrophobicContact CE2-CD1 3.81Å; F80-I100 HydrophobicContact CZ-CD1 3.71Å; G96-I100 WeakPolarHBondContact O-CG1 3.4Å; G96-I100 PolarHBondContact O-N 3.39Å; L97-I100 PolarHBondContact O-N 3.18Å; I100-S103 PolarHBondContact O-N 3.44Å; I100-F104 WeakPolarHBondContact O-CB 3.4Å; I100-F104 PolarHBondContact O-N 2.93Å; I100-L134 HydrophobicContact CD1-CD1 4.02Å; I100-L134 HydrophobicContact CG1-CD1 4.24Å
101	F	63.3	Low	60.9	Low	128 Å²	128	40.6 Å²	40.6	56%	0.561	21%	0.213	S	C	*	.	H	α-helix	trans	-63	-46.7	178.1	-177.6	-100.9	0	0	0	112.2	L97 F104 V105	L97-F101 WeakPolarHBondContact O-CB 3.34Å; L97-F101 PolarHBondContact O-N 3.33Å; F101-F104 PolarHBondContact O-N 3.49Å; F101-V105 HydrophobicContact CD1-CG2 4.37Å; F101-V105 HydrophobicContact CE1-CG2 4.03Å; F101-V105 HydrophobicContact CE2-CG2 4.39Å; F101-V105 HydrophobicContact CZ-CG2 4.04Å; F101-V105 VanDerWaalsContact O-CG2 3.32Å; F101-V105 WeakPolarHBondContact O-CG2 3.36Å; F101-V105 PolarHBondContact O-N 3.28Å
102	S	60.5	Low	60.9	Low	16 Å²	16	43.1 Å²	43.1	11%	0.112	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-40.6	178.7	-174.1	0	0	0	0	112.4	F98 T99 V105 F106 F211	F98-S102 WeakPolarHBondContact O-CB 3.43Å; F98-S102 PolarHBondContact O-N 2.92Å; T99-S102 PolarHBondContact O-N 3.41Å; S102-V105 PolarHBondContact O-N 2.83Å; S102-F106 VanDerWaalsContact O-CB 3.32Å; S102-F106 WeakPolarHBondContact O-CB 3.37Å; S102-F106 PolarHBondContact O-N 3.04Å; S102-F211 WeakPolarHBondContact OG-CD1 3.47Å; S102-F211 VanDerWaalsContact OG-CE1 3.28Å; S102-F211 WeakPolarHBondContact OG-CE1 3.5Å; S102-F211 WeakPolarHBondContact OG-CZ 3.36Å
103	S	64.8	Low	60.7	Low	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-38.2	176.1	-162.6	0	0	0	0	112.2	T99 I100 S107 F128	T99-S103 WeakPolarHBondContact O-CB 2.87Å; T99-S103 PolarHBondContact O-N 2.79Å; I100-S103 PolarHBondContact O-N 3.44Å; S103-S107 WeakPolarHBondContact O-CB 3.29Å; S103-S107 PolarHBondContact O-N 3.47Å; S103-S107 PolarHBondContact O-OG 3.01Å; S103-F128 WeakPolarHBondContact O-CZ 3.3Å; S103-F128 WeakPolarHBondContact OG-CZ 3.35Å
104	F	63.8	Low	60.4	Low	89 Å²	89	52.8 Å²	52.8	39%	0.39	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-46	174	178	-102.8	0	0	0	112.4	I100 F101 S107 T108 L125	I100-F104 WeakPolarHBondContact O-CB 3.4Å; I100-F104 PolarHBondContact O-N 2.93Å; F101-F104 PolarHBondContact O-N 3.49Å; F104-S107 PolarHBondContact O-N 3.16Å; F104-T108 PolarHBondContact O-N 2.95Å; F104-T108 PolarHBondContact O-OG1 2.94Å; F104-L125 HydrophobicContact CD2-CD2 4.13Å; F104-L125 HydrophobicContact CE2-CD1 4.26Å; F104-L125 HydrophobicContact CE2-CD2 3.77Å; F104-L125 HydrophobicContact CE2-CG 4.26Å
105	V	62.2	Low	59.7	Low	45 Å²	45	54.8 Å²	54.8	27%	0.273	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-47.1	177.3	172.7	0	0	0	0	110.5	T28 F101 S102 S107 T108 V109	T28-V105 HydrophobicContact CG2-CG1 3.9Å; F101-V105 HydrophobicContact CD1-CG2 4.37Å; F101-V105 HydrophobicContact CE1-CG2 4.03Å; F101-V105 HydrophobicContact CE2-CG2 4.39Å; F101-V105 HydrophobicContact CZ-CG2 4.04Å; F101-V105 VanDerWaalsContact O-CG2 3.32Å; F101-V105 WeakPolarHBondContact O-CG2 3.36Å; F101-V105 PolarHBondContact O-N 3.28Å; S102-V105 PolarHBondContact O-N 2.83Å; V105-S107 VanDerWaalsContact C-N 3.31Å; V105-S107 PolarHBondContact O-N 3.43Å; V105-T108 WeakPolarHBondContact O-CB 3.49Å; V105-T108 PolarHBondContact O-N 3.4Å; V105-V109 VanDerWaalsContact O-CG2 3.23Å; V105-V109 WeakPolarHBondContact O-CG2 3.42Å; V105-V109 PolarHBondContact O-N 3.35Å; V105-V109 VanDerWaalsContact O-N 3.17Å
106	F	61.4	Low	59.2	Low	42 Å²	42	61.9 Å²	61.9	18%	0.184	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-36.9	-179.5	-162.8	-90	0	0	0	112.2	S102 V109 V110 A203 F206 V207	S102-F106 VanDerWaalsContact O-CB 3.32Å; S102-F106 WeakPolarHBondContact O-CB 3.37Å; S102-F106 PolarHBondContact O-N 3.04Å; F106-V109 WeakPolarHBondContact O-CB 3.49Å; F106-V109 PolarHBondContact O-N 3.11Å; F106-V110 HydrophobicContact CD1-CG2 4.08Å; F106-V110 HydrophobicContact CE1-CG2 3.99Å; F106-V110 WeakPolarHBondContact O-CG2 3.32Å; F106-V110 PolarHBondContact O-N 3.05Å; F106-V110 VanDerWaalsContact O-N 3.13Å; F106-A203 HydrophobicContact CD1-CB 3.51Å; F106-A203 HydrophobicContact CE1-CB 4.05Å; F106-F206 HydrophobicContact CD2-CD1 4.49Å; F106-F206 HydrophobicContact CE1-CD1 4.39Å; F106-F206 AromaticContact CE2-CD1 3.84Å; F106-F206 HydrophobicContact CE2-CD1 3.84Å; F106-F206 AromaticContact CE2-CE1 3.92Å; F106-F206 HydrophobicContact CE2-CE1 3.92Å; F106-F206 AromaticContact CZ-CD1 3.77Å; F106-F206 HydrophobicContact CZ-CD1 3.77Å; F106-F206 HydrophobicContact CZ-CE1 4.17Å; F106-F206 HydrophobicContact CZ-CG 4.31Å; F106-V207 HydrophobicContact CB-CG2 4.45Å
107	S	61.3	Low	58.6	Low	11 Å²	11	69.1 Å²	69.1	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-66.9	-38.1	175.6	-59.7	0	0	0	0	112.1	S103 F104 V105 V109 V110 I111 F128	S103-S107 WeakPolarHBondContact O-CB 3.29Å; S103-S107 PolarHBondContact O-N 3.47Å; S103-S107 PolarHBondContact O-OG 3.01Å; F104-S107 PolarHBondContact O-N 3.16Å; V105-S107 VanDerWaalsContact C-N 3.31Å; V105-S107 PolarHBondContact O-N 3.43Å; S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 2.63Å; S107-V110 PolarHBondContact O-N 3.28Å; S107-I111 WeakPolarHBondContact O-CB 3.31Å; S107-I111 WeakPolarHBondContact O-CD1 3.48Å; S107-I111 WeakPolarHBondContact O-CG1 3.37Å; S107-I111 PolarHBondContact O-N 3.06Å; S107-F128 WeakPolarHBondContact OG-CE2 3.35Å; S107-F128 VanDerWaalsContact OG-CZ 3.31Å; S107-F128 WeakPolarHBondContact OG-CZ 3.35Å
108	T	59.3	Low	57.8	Low	55 Å²	55	70 Å²	70	34%	0.337	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-38	174.3	-53.3	0	0	0	0	111.6	F104 V105 I111 H112	F104-T108 PolarHBondContact O-N 2.95Å; F104-T108 PolarHBondContact O-OG1 2.94Å; V105-T108 WeakPolarHBondContact O-CB 3.49Å; V105-T108 PolarHBondContact O-N 3.4Å; T108-I111 PolarHBondContact O-N 3.44Å; T108-H112 PolarHBondContact O-N 3.04Å; T108-H112 VanDerWaalsContact O-N 3.13Å
109	V	58.9	Low	57.2	Low	13 Å²	13	72 Å²	72	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-43.5	176.5	-174.2	0	0	0	0	111.8	T28 M31 L32 V105 F106 S107 I111 H112 F113	T28-V109 HydrophobicContact CG2-CG2 3.44Å; T28-V109 VanDerWaalsContact CG2-CG2 3.44Å; M31-V109 HydrophobicContact CB-CG1 3.57Å; L32-V109 HydrophobicContact CD1-CG2 3.74Å; L32-V109 HydrophobicContact CD2-CB 4.32Å; L32-V109 HydrophobicContact CD2-CG1 4.44Å; L32-V109 HydrophobicContact CD2-CG2 3.73Å; L32-V109 HydrophobicContact CG-CB 4.32Å; L32-V109 HydrophobicContact CG-CG1 4.2Å; L32-V109 HydrophobicContact CG-CG2 3.49Å; L32-V109 VanDerWaalsContact CG-CG2 3.49Å; V105-V109 VanDerWaalsContact O-CG2 3.23Å; V105-V109 WeakPolarHBondContact O-CG2 3.42Å; V105-V109 PolarHBondContact O-N 3.35Å; V105-V109 VanDerWaalsContact O-N 3.17Å; F106-V109 WeakPolarHBondContact O-CB 3.49Å; F106-V109 PolarHBondContact O-N 3.11Å; S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 2.63Å; V109-I111 VanDerWaalsContact C-N 3.3Å; V109-I111 PolarHBondContact O-N 2.67Å; V109-H112 PolarHBondContact O-N 3.15Å; V109-F113 PolarHBondContact O-N 3.48Å; V109-F113 VanDerWaalsContact O-N 3.1Å
110	V	57.7	Low	56.8	Low	24 Å²	24	72.7 Å²	72.7	15%	0.145	37%	0.366	C	S	.	.	H	α-helix	trans	-66.4	-35.3	-179.8	173.3	0	0	0	0	111.7	F106 S107 F113 M199	F106-V110 HydrophobicContact CD1-CG2 4.08Å; F106-V110 HydrophobicContact CE1-CG2 3.99Å; F106-V110 WeakPolarHBondContact O-CG2 3.32Å; F106-V110 PolarHBondContact O-N 3.05Å; F106-V110 VanDerWaalsContact O-N 3.13Å; S107-V110 PolarHBondContact O-N 3.28Å; V110-F113 PolarHBondContact O-N 3.14Å; V110-M199 HydrophobicContact CG1-CB 3.71Å; V110-M199 HydrophobicContact CG1-CE 3.28Å; V110-M199 HydrophobicContact CG1-CG 3.92Å; V110-M199 HydrophobicContact CG1-SD 4.44Å
111	I	55.2	Low	56.1	Low	31 Å²	31	73.2 Å²	73.2	16%	0.159	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-38.3	175.5	-67.4	167.1	0	0	0	110.9	S107 T108 V109 F113 L121 F196	S107-I111 WeakPolarHBondContact O-CB 3.31Å; S107-I111 WeakPolarHBondContact O-CD1 3.48Å; S107-I111 WeakPolarHBondContact O-CG1 3.37Å; S107-I111 PolarHBondContact O-N 3.06Å; T108-I111 PolarHBondContact O-N 3.44Å; V109-I111 VanDerWaalsContact C-N 3.3Å; V109-I111 PolarHBondContact O-N 2.67Å; I111-F113 VanDerWaalsContact C-N 3.28Å; I111-F113 PolarHBondContact O-N 3.23Å; I111-L121 HydrophobicContact CD1-CD1 3.46Å; I111-L121 VanDerWaalsContact CD1-CD1 3.46Å; I111-L121 HydrophobicContact CG2-CD1 4.47Å; I111-F196 HydrophobicContact CB-CE1 4.16Å; I111-F196 HydrophobicContact CD1-CD1 4.23Å; I111-F196 HydrophobicContact CD1-CE1 4.36Å; I111-F196 HydrophobicContact CG1-CD1 3.73Å; I111-F196 HydrophobicContact CG1-CE1 3.66Å; I111-F196 HydrophobicContact CG2-CE1 3.81Å; I111-F196 HydrophobicContact CG2-CZ 4.34Å
112	H	56.3	Low	55.6	Low	82 Å²	82	72.1 Å²	72.1	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-74.2	-16.9	175.9	-163.7	-65.2	0	0	0	113.3	T108 V109 F114	T108-H112 PolarHBondContact O-N 3.04Å; T108-H112 VanDerWaalsContact O-N 3.13Å; V109-H112 PolarHBondContact O-N 3.15Å; H112-F114 VanDerWaalsContact C-N 3.32Å
113	F	54.6	Low	55.4	Low	114 Å²	114	74.4 Å²	74.4	50%	0.5	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.1	178.5	-154.6	-93.7	0	0	0	112.9	M31 V109 V110 I111	M31-F113 HydrophobicContact SD-CE2 4.29Å; V109-F113 PolarHBondContact O-N 3.48Å; V109-F113 VanDerWaalsContact O-N 3.1Å; V110-F113 PolarHBondContact O-N 3.14Å; I111-F113 VanDerWaalsContact C-N 3.28Å; I111-F113 PolarHBondContact O-N 3.23Å
114	F	54.3	Low	55	Low	128 Å²	128	75.2 Å²	75.2	56%	0.561	38%	0.384	S	S	*	.	S	Bend	trans	-118.3	102.3	174.3	-74.1	-91.6	0	0	0	108	H112 K116	H112-F114 VanDerWaalsContact C-N 3.32Å; F114-K116 PolarHBondContact O-N 3.29Å
115	D	46.8	Very low	54.7	Low	137 Å²	137	73.3 Å²	73.3	73%	0.733	38%	0.378	S	S	*	.			trans	-51.4	27.9	-176.3	-80.7	-36.3	0	0	0	117.7
116	K	47.9	Very low	54.6	Low	153 Å²	153	71.4 Å²	71.4	67%	0.665	37%	0.367	S	S	*	.			trans	-97.7	109.4	-178	-67	-165.4	174.8	-172.8	0	110.4	F114	F114-K116 PolarHBondContact O-N 3.29Å
117	E	51	Low	54.5	Low	155 Å²	155	73.5 Å²	73.5	72%	0.724	38%	0.376	S	S	*	.			trans	15.8	105.3	161.3	-68.2	176.7	169.4	0	0	116.4	T119	E117-T119 PolarHBondContact O-N 3.49Å
118	L	48.7	Very low	54.6	Low	128 Å²	128	73.9 Å²	73.9	67%	0.67	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-63.9	4.3	175.9	-85.2	110.1	0	0	0	115.1	G120 L121	L118-G120 VanDerWaalsContact C-N 3.28Å; L118-G120 PolarHBondContact O-N 3.19Å; L118-L121 HydrophobicContact CD2-CD2 4.41Å; L118-L121 PolarHBondContact O-N 3Å
119	T	47.7	Very low	54.6	Low	121 Å²	121	73.2 Å²	73.2	74%	0.742	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-67	-25.3	-173.5	45.2	0	0	0	0	113.3	E117	E117-T119 PolarHBondContact O-N 3.49Å
120	G	51.2	Low	54.8	Low	21 Å²	21	75.3 Å²	75.3	22%	0.216	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-95.2	1.3	-179.9	0	0	0	0	0	116.5	L118 N122 E123 A124	L118-G120 VanDerWaalsContact C-N 3.28Å; L118-G120 PolarHBondContact O-N 3.19Å; G120-N122 PolarHBondContact O-N 2.85Å; G120-E123 WeakPolarHBondContact O-CB 3.17Å; G120-E123 PolarHBondContact O-N 2.87Å; G120-E123 VanDerWaalsContact O-N 3.08Å; G120-A124 PolarHBondContact O-N 3.47Å
121	L	52	Low	55.1	Low	44 Å²	44	76.6 Å²	76.6	23%	0.23	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-41.8	-171.8	-175.7	67.1	0	0	0	112.9	I111 L118 E123 A124 L125	I111-L121 HydrophobicContact CD1-CD1 3.46Å; I111-L121 VanDerWaalsContact CD1-CD1 3.46Å; I111-L121 HydrophobicContact CG2-CD1 4.47Å; L118-L121 HydrophobicContact CD2-CD2 4.41Å; L118-L121 PolarHBondContact O-N 3Å; L121-E123 PolarHBondContact O-N 3.49Å; L121-A124 PolarHBondContact O-N 3.4Å; L121-L125 PolarHBondContact O-N 2.85Å
122	N	52.3	Low	55.7	Low	105 Å²	105	75.5 Å²	75.5	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-66.9	-21.1	177.2	-78.7	-22.5	0	0	0	112.8	R69 G120	R69-N122 PolarHBondContact NH2-O 3.42Å; G120-N122 PolarHBondContact O-N 2.85Å
123	E	55.5	Low	56.1	Low	64 Å²	64	73.4 Å²	73.4	30%	0.299	37%	0.373	S	S	.	.	H	α-helix	trans	-88.1	-29.8	178.1	-60.9	179.3	-176.5	0	0	111.7	L65 G120 L121 P126 F127	L65-E123 HydrophobicContact CD1-CB 4.35Å; L65-E123 HydrophobicContact CD2-CG 3.99Å; G120-E123 WeakPolarHBondContact O-CB 3.17Å; G120-E123 PolarHBondContact O-N 2.87Å; G120-E123 VanDerWaalsContact O-N 3.08Å; L121-E123 PolarHBondContact O-N 3.49Å; E123-P126 WeakPolarHBondContact O-CD 3.23Å; E123-F127 WeakPolarHBondContact O-CD2 3.46Å
124	A	56.3	Low	56.5	Low	17 Å²	17	68.3 Å²	68.3	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-84.5	-24.8	-179.1	0	0	0	0	0	114.5	G120 L121 P126 F127 F128	G120-A124 PolarHBondContact O-N 3.47Å; L121-A124 PolarHBondContact O-N 3.4Å; A124-P126 VanDerWaalsContact C-CD 3.41Å; A124-F127 PolarHBondContact O-N 3.22Å; A124-F127 VanDerWaalsContact O-N 3.15Å; A124-F128 PolarHBondContact O-N 3.36Å; A124-F128 VanDerWaalsContact O-N 3.1Å
125	L	57.9	Low	56.9	Low	50 Å²	50	65.2 Å²	65.2	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-51.8	-39.4	-179.2	-117.7	161.1	0	0	0	115.6	F104 L121 F128 L129	F104-L125 HydrophobicContact CD2-CD2 4.13Å; F104-L125 HydrophobicContact CE2-CD1 4.26Å; F104-L125 HydrophobicContact CE2-CD2 3.77Å; F104-L125 HydrophobicContact CE2-CG 4.26Å; L121-L125 PolarHBondContact O-N 2.85Å; L125-F128 WeakPolarHBondContact O-CB 3.36Å; L125-F128 PolarHBondContact O-N 3.37Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 3.41Å
126	P	60	Low	57.9	Low	5 Å²	5	61.5 Å²	61.5	3%	0.032	32%	0.322	C	S	.	.	H	α-helix	trans	-69.5	-36.6	177.8	-21	35.3	0	0	0	113	T68 R69 A72 E123 A124 F128 L129 L130	T68-P126 HydrophobicContact CG2-CB 4.04Å; R69-P126 HydrophobicContact CG-CB 4.08Å; R69-P126 HydrophobicContact CG-CG 3.4Å; R69-P126 VanDerWaalsContact CG-CG 3.4Å; A72-P126 HydrophobicContact CB-CB 4.5Å; E123-P126 WeakPolarHBondContact O-CD 3.23Å; A124-P126 VanDerWaalsContact C-CD 3.41Å; P126-F128 VanDerWaalsContact C-N 3.33Å; P126-L129 PolarHBondContact O-N 3.12Å; P126-L130 WeakPolarHBondContact O-CG 3.24Å; P126-L130 PolarHBondContact O-N 2.99Å; P126-L130 VanDerWaalsContact O-N 3.1Å
127	F	60.5	Low	58.8	Low	86 Å²	86	54.3 Å²	54.3	38%	0.377	29%	0.291	S	S	.	.	H	α-helix	trans	-67.7	-38.5	176.4	-63.1	-82.5	0	0	0	111	T68 E123 A124 L129 L130 L131 M193	T68-F127 HydrophobicContact CG2-CE1 4.36Å; T68-F127 HydrophobicContact CG2-CZ 4.29Å; E123-F127 WeakPolarHBondContact O-CD2 3.46Å; A124-F127 PolarHBondContact O-N 3.22Å; A124-F127 VanDerWaalsContact O-N 3.15Å; F127-L129 VanDerWaalsContact C-N 3.32Å; F127-L129 PolarHBondContact O-N 3.4Å; F127-L130 PolarHBondContact O-N 3.35Å; F127-L131 VanDerWaalsContact O-CG 3.29Å; F127-L131 WeakPolarHBondContact O-CG 3.5Å; F127-L131 PolarHBondContact O-N 2.63Å; F127-L131 VanDerWaalsContact O-N 3.12Å; F127-M193 HydrophobicContact CD2-CE 3.97Å; F127-M193 HydrophobicContact CE2-CE 3.46Å; F127-M193 VanDerWaalsContact CE2-CE 3.46Å; F127-M193 HydrophobicContact CZ-CE 3.94Å
128	F	61.8	Low	59.4	Low	19 Å²	19	47.2 Å²	47.2	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-54.4	-49.1	171.3	179	-96.5	0	0	0	111.6	S103 S107 A124 L125 P126 L130 L131 I132 S200	S103-F128 WeakPolarHBondContact O-CZ 3.3Å; S103-F128 WeakPolarHBondContact OG-CZ 3.35Å; S107-F128 WeakPolarHBondContact OG-CE2 3.35Å; S107-F128 VanDerWaalsContact OG-CZ 3.31Å; S107-F128 WeakPolarHBondContact OG-CZ 3.35Å; A124-F128 PolarHBondContact O-N 3.36Å; A124-F128 VanDerWaalsContact O-N 3.1Å; L125-F128 WeakPolarHBondContact O-CB 3.36Å; L125-F128 PolarHBondContact O-N 3.37Å; P126-F128 VanDerWaalsContact C-N 3.33Å; F128-L130 VanDerWaalsContact C-N 3.33Å; F128-L130 PolarHBondContact O-N 3.17Å; F128-L131 PolarHBondContact O-N 2.98Å; F128-I132 HydrophobicContact CD1-CD1 4.18Å; F128-I132 HydrophobicContact CE1-CD1 3.67Å; F128-I132 HydrophobicContact CE1-CG1 4.5Å; F128-I132 HydrophobicContact CZ-CD1 4.1Å; F128-S200 VanDerWaalsContact CD2-CB 3.48Å; F128-S200 WeakPolarHBondContact CD2-OG 3.49Å; F128-S200 WeakPolarHBondContact CE2-OG 3.5Å
129	L	60.7	Low	60.3	Low	40 Å²	40	42.3 Å²	42.3	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-30.9	-178.9	-68.9	171	0	0	0	113.5	A72 I76 L125 P126 F127 I132	A72-L129 HydrophobicContact CB-CB 4.32Å; I76-L129 HydrophobicContact CD1-CB 4.12Å; I76-L129 HydrophobicContact CD1-CD1 3.89Å; I76-L129 HydrophobicContact CD1-CD2 3.92Å; I76-L129 HydrophobicContact CD1-CG 4.18Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 3.41Å; P126-L129 PolarHBondContact O-N 3.12Å; F127-L129 VanDerWaalsContact C-N 3.32Å; F127-L129 PolarHBondContact O-N 3.4Å; L129-I132 HydrophobicContact CD2-CD1 4.49Å
130	L	62.6	Low	61.5	Low	58 Å²	58	36.8 Å²	36.8	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-72.3	-29.9	175.1	-74.1	169.1	0	0	0	113	T68 I71 A72 Y75 P126 F127 F128 I132	T68-L130 HydrophobicContact CG2-CD1 4.1Å; I71-L130 HydrophobicContact CG2-CD2 4.35Å; A72-L130 HydrophobicContact CB-CD2 4.47Å; A72-L130 HydrophobicContact CB-CG 4.27Å; Y75-L130 HydrophobicContact CD1-CD2 4.28Å; Y75-L130 HydrophobicContact CG-CD2 4.38Å; P126-L130 WeakPolarHBondContact O-CG 3.24Å; P126-L130 PolarHBondContact O-N 2.99Å; P126-L130 VanDerWaalsContact O-N 3.1Å; F127-L130 PolarHBondContact O-N 3.35Å; F128-L130 VanDerWaalsContact C-N 3.33Å; F128-L130 PolarHBondContact O-N 3.17Å; L130-I132 VanDerWaalsContact C-N 3.3Å; L130-I132 PolarHBondContact O-N 2.95Å
131	L	64.8	Low	62.3	Low	50 Å²	50	35.9 Å²	35.9	26%	0.262	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.9	-179.1	-68.7	171.3	0	0	0	113.5	F127 F128 D133 I179 V201	F127-L131 VanDerWaalsContact O-CG 3.29Å; F127-L131 WeakPolarHBondContact O-CG 3.5Å; F127-L131 PolarHBondContact O-N 2.63Å; F127-L131 VanDerWaalsContact O-N 3.12Å; F128-L131 PolarHBondContact O-N 2.98Å; L131-D133 PolarHBondContact O-N 2.99Å; L131-I179 HydrophobicContact CD1-CD1 3.95Å; L131-I179 HydrophobicContact CD2-CD1 4.12Å; L131-V201 HydrophobicContact CD1-CG2 4.29Å
132	I	66.8	Low	63.1	Low	8 Å²	8	37.5 Å²	37.5	4%	0.041	20%	0.195	C	C	.	.			trans	-82.7	112.7	174.6	-58.7	173.9	0	0	0	109.8	Q79 F128 L129 L130 L134	Q79-I132 PolarHBondContact NE2-O 3.44Å; F128-I132 HydrophobicContact CD1-CD1 4.18Å; F128-I132 HydrophobicContact CE1-CD1 3.67Å; F128-I132 HydrophobicContact CE1-CG1 4.5Å; F128-I132 HydrophobicContact CZ-CD1 4.1Å; L129-I132 HydrophobicContact CD2-CD1 4.49Å; L130-I132 VanDerWaalsContact C-N 3.3Å; L130-I132 PolarHBondContact O-N 2.95Å; I132-L134 HydrophobicContact CG2-CD2 4.38Å; I132-L134 HydrophobicContact CG2-CG 3.95Å
133	D	64.3	Low	63.9	Low	39 Å²	39	34.6 Å²	34.6	21%	0.209	18%	0.178	C	C	.	.			trans	-94.4	92.9	171.2	-176	4.3	0	0	0	111.4	L131 S135 K136	L131-D133 PolarHBondContact O-N 2.99Å; D133-S135 VanDerWaalsContact C-N 3.31Å; D133-S135 VanDerWaalsContact OD1-CB 3.32Å; D133-S135 WeakPolarHBondContact OD1-CB 3.47Å; D133-S135 PolarHBondContact OD1-N 2.74Å; D133-S135 PolarHBondContact OD1-OG 3.26Å; D133-K136 WeakPolarHBondContact OD2-CD 3.44Å; D133-K136 WeakPolarHBondContact OD2-CE 3.34Å; D133-K136 IonicContact OD2-NZ 3.37Å; D133-K136 PolarHBondContact OD2-NZ 2.77Å; D133-K136 VanDerWaalsContact OD2-NZ 3.15Å
134	L	64.1	Low	64.5	Low	7 Å²	7	31.6 Å²	31.6	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-78.1	-11.6	175.4	-76.3	172.1	0	0	0	113.4	Q79 L83 I100 I132 K136 A137 C138	Q79-L134 VanDerWaalsContact OE1-CD1 3.32Å; L83-L134 HydrophobicContact CD1-CD1 4.48Å; I100-L134 HydrophobicContact CD1-CD1 4.02Å; I100-L134 HydrophobicContact CG1-CD1 4.24Å; I132-L134 HydrophobicContact CG2-CD2 4.38Å; I132-L134 HydrophobicContact CG2-CG 3.95Å; L134-K136 PolarHBondContact O-N 3.15Å; L134-A137 HydrophobicContact CD2-CB 4.37Å; L134-A137 WeakPolarHBondContact O-CB 3.47Å; L134-A137 PolarHBondContact O-N 2.92Å; L134-C138 PolarHBondContact O-N 2.83Å; L134-C138 PolarHBondContact O-SG 2.97Å
135	S	62.2	Low	65	Low	63 Å²	63	33.6 Å²	33.6	44%	0.441	17%	0.172	S	C	.	.	H	α-helix	trans	-67.5	-37.6	-175.1	74.1	0	0	0	0	112.5	D133 C138 T139	D133-S135 VanDerWaalsContact C-N 3.31Å; D133-S135 VanDerWaalsContact OD1-CB 3.32Å; D133-S135 WeakPolarHBondContact OD1-CB 3.47Å; D133-S135 PolarHBondContact OD1-N 2.74Å; D133-S135 PolarHBondContact OD1-OG 3.26Å; S135-C138 WeakPolarHBondContact O-CB 3.45Å; S135-C138 PolarHBondContact O-N 3.44Å; S135-T139 PolarHBondContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 3.41Å
136	K	66.9	Low	65.3	Low	58 Å²	58	32.2 Å²	32.2	25%	0.252	17%	0.167	S	C	.	.	H	α-helix	trans	-72.9	-31.9	175.2	-65.4	174.2	-169.6	154.9	0	111.8	D133 L134 C138 T139 L140 F168 D171	D133-K136 WeakPolarHBondContact OD2-CD 3.44Å; D133-K136 WeakPolarHBondContact OD2-CE 3.34Å; D133-K136 IonicContact OD2-NZ 3.37Å; D133-K136 PolarHBondContact OD2-NZ 2.77Å; D133-K136 VanDerWaalsContact OD2-NZ 3.15Å; L134-K136 PolarHBondContact O-N 3.15Å; K136-C138 VanDerWaalsContact C-N 3.35Å; K136-T139 WeakPolarHBondContact O-CB 3.4Å; K136-T139 PolarHBondContact O-N 2.82Å; K136-T139 VanDerWaalsContact O-N 3.14Å; K136-L140 PolarHBondContact O-N 3.14Å; K136-L140 VanDerWaalsContact O-N 3.14Å; K136-F168 HydrophobicContact CD-CD2 4.19Å; K136-D171 IonicContact NZ-OD2 3.51Å; K136-D171 PolarHBondContact NZ-OD2 3.36Å
137	A	67.8	Low	65.5	Low	3 Å²	3	32.3 Å²	32.3	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-39.8	172.1	0	0	0	0	0	112.6	L134 T139 L140 A141 F208 F212	L134-A137 HydrophobicContact CD2-CB 4.37Å; L134-A137 WeakPolarHBondContact O-CB 3.47Å; L134-A137 PolarHBondContact O-N 2.92Å; A137-T139 VanDerWaalsContact C-N 3.25Å; A137-T139 PolarHBondContact O-N 2.96Å; A137-L140 PolarHBondContact O-N 3.06Å; A137-A141 PolarHBondContact O-N 3.45Å; A137-F208 HydrophobicContact CB-CD2 4Å; A137-F208 HydrophobicContact CB-CE2 3.35Å; A137-F208 HydrophobicContact CB-CZ 4.29Å; A137-F212 HydrophobicContact CB-CD1 4.38Å; A137-F212 HydrophobicContact CB-CE1 3.78Å; A137-F212 HydrophobicContact CB-CE2 4.22Å; A137-F212 HydrophobicContact CB-CZ 3.68Å; A137-F212 WeakPolarHBondContact O-CE1 3.34Å; A137-F212 WeakPolarHBondContact O-CZ 3.47Å
138	C	64	Low	65.6	Low	5 Å²	5	33 Å²	33	3%	0.034	18%	0.175	C	C	.	.	H	α-helix	trans	-57.5	-41.2	171.3	-57.7	0	0	0	0	111.6	L83 L86 L134 S135 K136 A141 K142	L83-C138 HydrophobicContact CD2-CB 4.44Å; L83-C138 WeakPolarHBondContact CD2-SG 3.43Å; L83-C138 VanDerWaalsContact CG-SG 3.51Å; L86-C138 HydrophobicContact CD1-CB 3.98Å; L134-C138 PolarHBondContact O-N 2.83Å; L134-C138 PolarHBondContact O-SG 2.97Å; S135-C138 WeakPolarHBondContact O-CB 3.45Å; S135-C138 PolarHBondContact O-N 3.44Å; K136-C138 VanDerWaalsContact C-N 3.35Å; C138-A141 PolarHBondContact O-N 3.3Å; C138-K142 WeakPolarHBondContact O-CG 3.13Å; C138-K142 PolarHBondContact O-N 2.73Å
139	T	67.5	Low	65.8	Low	26 Å²	26	34.7 Å²	34.7	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-40.5	-178	-53.2	0	0	0	0	111.4	S135 K136 A137 K142 F143 L164	S135-T139 PolarHBondContact O-N 3.09Å; S135-T139 PolarHBondContact O-OG1 3.41Å; K136-T139 WeakPolarHBondContact O-CB 3.4Å; K136-T139 PolarHBondContact O-N 2.82Å; K136-T139 VanDerWaalsContact O-N 3.14Å; A137-T139 VanDerWaalsContact C-N 3.25Å; A137-T139 PolarHBondContact O-N 2.96Å; T139-K142 WeakPolarHBondContact O-CB 3.49Å; T139-K142 PolarHBondContact O-N 3.1Å; T139-F143 HydrophobicContact CG2-CE2 4.14Å; T139-F143 WeakPolarHBondContact O-CD2 3.37Å; T139-F143 PolarHBondContact O-N 3.21Å; T139-L164 HydrophobicContact CG2-CD1 4.13Å; T139-L164 HydrophobicContact CG2-CD2 4.36Å
140	L	71.9	Confident	66	Low	5 Å²	5	35.4 Å²	35.4	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-40.9	173.3	-176.1	66.7	0	0	0	112.1	K136 A137 K142 F143 A144 M161 L164 F208 F212 P213	K136-L140 PolarHBondContact O-N 3.14Å; K136-L140 VanDerWaalsContact O-N 3.14Å; A137-L140 PolarHBondContact O-N 3.06Å; L140-K142 VanDerWaalsContact C-N 3.27Å; L140-K142 PolarHBondContact O-N 3.41Å; L140-F143 WeakPolarHBondContact O-CB 3.41Å; L140-F143 PolarHBondContact O-N 3.38Å; L140-A144 PolarHBondContact O-N 2.87Å; L140-M161 HydrophobicContact CD1-CG 4.01Å; L140-M161 HydrophobicContact CD1-SD 3.95Å; L140-M161 HydrophobicContact CD2-CG 4.39Å; L140-M161 HydrophobicContact CD2-SD 3.52Å; L140-M161 VanDerWaalsContact CD2-SD 3.52Å; L140-M161 HydrophobicContact CG-SD 4.41Å; L140-L164 HydrophobicContact CB-CD1 3.98Å; L140-L164 HydrophobicContact CD1-CD1 4.33Å; L140-F208 HydrophobicContact CB-CZ 4.35Å; L140-F208 HydrophobicContact CD2-CZ 4.06Å; L140-F212 HydrophobicContact CB-CE1 4.33Å; L140-F212 HydrophobicContact CD2-CD1 3.98Å; L140-F212 HydrophobicContact CD2-CE1 4.08Å; L140-P213 HydrophobicContact CD2-CB 4.46Å; L140-P213 HydrophobicContact CD2-CG 4.02Å
141	A	69.5	Low	66.3	Low	1 Å²	1	38.4 Å²	38.4	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-31.2	176	0	0	0	0	0	112.8	L92 A137 C138 A144 L145 F212	L92-A141 HydrophobicContact CD1-CB 3.45Å; L92-A141 VanDerWaalsContact CD1-CB 3.45Å; A137-A141 PolarHBondContact O-N 3.45Å; C138-A141 PolarHBondContact O-N 3.3Å; A141-A144 WeakPolarHBondContact O-CB 2.95Å; A141-A144 PolarHBondContact O-N 2.93Å; A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 VanDerWaalsContact O-CG 3.28Å; A141-L145 WeakPolarHBondContact O-CG 3.26Å; A141-L145 PolarHBondContact O-N 2.89Å; A141-F212 HydrophobicContact CB-CZ 4.36Å
142	K	68	Low	66.8	Low	78 Å²	78	38.9 Å²	38.9	34%	0.339	21%	0.208	S	C	.	.	H	α-helix	trans	-62.5	-42.4	173	-70.6	173.6	-167.7	-173.9	0	112.4	L86 C138 T139 L140 A144 L145 S146	L86-K142 VanDerWaalsContact CD1-CE 3.46Å; L86-K142 VanDerWaalsContact CD2-CE 3.44Å; L86-K142 VanDerWaalsContact CD2-NZ 3.29Å; C138-K142 WeakPolarHBondContact O-CG 3.13Å; C138-K142 PolarHBondContact O-N 2.73Å; T139-K142 WeakPolarHBondContact O-CB 3.49Å; T139-K142 PolarHBondContact O-N 3.1Å; L140-K142 VanDerWaalsContact C-N 3.27Å; L140-K142 PolarHBondContact O-N 3.41Å; K142-A144 VanDerWaalsContact C-N 3.25Å; K142-A144 PolarHBondContact O-N 3.18Å; K142-L145 PolarHBondContact O-N 3.41Å; K142-S146 PolarHBondContact O-N 2.87Å; K142-S146 VanDerWaalsContact O-N 3.09Å
143	F	68.3	Low	67.2	Low	45 Å²	45	38.5 Å²	38.5	20%	0.197	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-37.4	174.1	-74.6	-75	0	0	0	111.5	T139 L140 S146 N156 L164	T139-F143 HydrophobicContact CG2-CE2 4.14Å; T139-F143 WeakPolarHBondContact O-CD2 3.37Å; T139-F143 PolarHBondContact O-N 3.21Å; L140-F143 WeakPolarHBondContact O-CB 3.41Å; L140-F143 PolarHBondContact O-N 3.38Å; F143-S146 PolarHBondContact O-OG 2.85Å; F143-S146 VanDerWaalsContact O-OG 3.06Å; F143-N156 WeakPolarHBondContact O-CB 3.41Å; F143-N156 PolarHBondContact O-ND2 3.33Å; F143-L164 HydrophobicContact CD2-CD1 4.35Å; F143-L164 HydrophobicContact CE2-CD1 4.18Å
144	A	67.9	Low	68.1	Low	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69	-37.6	176.1	0	0	0	0	0	112.7	L140 A141 K142 S147 V153 I157 V216 L220	L140-A144 PolarHBondContact O-N 2.87Å; A141-A144 WeakPolarHBondContact O-CB 2.95Å; A141-A144 PolarHBondContact O-N 2.93Å; K142-A144 VanDerWaalsContact C-N 3.25Å; K142-A144 PolarHBondContact O-N 3.18Å; A144-S147 PolarHBondContact O-OG 3.24Å; A144-V153 HydrophobicContact CB-CG1 4.49Å; A144-I157 HydrophobicContact CB-CD1 3.97Å; A144-I157 HydrophobicContact CB-CG1 3.66Å; A144-V216 HydrophobicContact CB-CG1 3.63Å; A144-L220 HydrophobicContact CB-CD1 3.69Å
145	L	66.9	Low	68.9	Low	60 Å²	60	43.6 Å²	43.6	31%	0.314	23%	0.227	S	C	.	.	H	α-helix	trans	-76.8	-18.4	-177.7	-73	166.9	0	0	0	114.4	A141 K142 S147 L220	A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 VanDerWaalsContact O-CG 3.28Å; A141-L145 WeakPolarHBondContact O-CG 3.26Å; A141-L145 PolarHBondContact O-N 2.89Å; K142-L145 PolarHBondContact O-N 3.41Å; L145-S147 PolarHBondContact O-N 3.36Å; L145-L220 HydrophobicContact CD2-CD2 3.72Å
146	S	65.1	Low	69.8	Low	21 Å²	21	42.1 Å²	42.1	15%	0.147	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	5.4	178.3	61.7	0	0	0	0	114.5	K142 F143	K142-S146 PolarHBondContact O-N 2.87Å; K142-S146 VanDerWaalsContact O-N 3.09Å; F143-S146 PolarHBondContact O-OG 2.85Å; F143-S146 VanDerWaalsContact O-OG 3.06Å
147	S	63.8	Low	70.5	Confident	6 Å²	6	39.5 Å²	39.5	4%	0.042	20%	0.202	C	C	.	.			trans	-90.9	143.1	-176.2	61.2	0	0	0	0	113.2	A144 L145 V153 R224	A144-S147 PolarHBondContact O-OG 3.24Å; L145-S147 PolarHBondContact O-N 3.36Å; S147-V153 WeakPolarHBondContact OG-CG2 3.32Å; S147-R224 PolarHBondContact O-NH2 3.35Å
148	N	62.3	Low	71.2	Confident	102 Å²	102	39.3 Å²	39.3	55%	0.545	20%	0.201	S	C	.	.	S	Bend	trans	-96.1	-16.4	176.7	-68.6	-44.2	0	0	0	113.1	E152 N236	N148-E152 WeakPolarHBondContact CA-OE2 3.39Å; N148-E152 PolarHBondContact N-OE2 3.05Å; N148-N236 PolarHBondContact OD1-ND2 3.49Å
149	S	67.1	Low	72	Confident	54 Å²	54	41.6 Å²	41.6	38%	0.378	22%	0.215	S	C	.	.	S	Bend	trans	-133.3	162.4	179.3	67.3	0	0	0	0	113	E152 V153 R224	S149-E152 PolarHBondContact N-OE2 2.64Å; S149-E152 VanDerWaalsContact N-OE2 3.16Å; S149-E152 PolarHBondContact O-N 3.25Å; S149-E152 WeakPolarHBondContact OG-CB 3.5Å; S149-E152 PolarHBondContact OG-N 2.94Å; S149-E152 PolarHBondContact OG-OE2 3.36Å; S149-V153 WeakPolarHBondContact O-CG2 3.28Å; S149-V153 PolarHBondContact O-N 3Å; S149-V153 VanDerWaalsContact O-N 3.1Å; S149-R224 PolarHBondContact O-NH1 2.88Å
150	Q	64	Low	72.6	Confident	54 Å²	54	40.4 Å²	40.4	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-67.9	-37.3	180	-71.9	-65.3	-1.2	0	0	112.9	E152 V153 R154	Q150-E152 VanDerWaalsContact C-N 3.25Å; Q150-E152 PolarHBondContact O-N 2.9Å; Q150-V153 WeakPolarHBondContact O-CB 3.14Å; Q150-V153 PolarHBondContact O-N 2.75Å; Q150-R154 PolarHBondContact O-N 2.83Å
151	D	68.7	Low	73.1	Confident	121 Å²	121	40.2 Å²	40.2	65%	0.647	21%	0.206	S	C	*	.	H	α-helix	trans	-67.2	-32.4	176.7	-64.9	-33.7	0	0	0	111.4	R154 E155	D151-R154 PolarHBondContact O-N 2.86Å; D151-R154 IonicContact OD1-NH1 3.91Å; D151-R154 PolarHBondContact OD1-NH1 3.18Å; D151-E155 PolarHBondContact O-N 2.93Å; D151-E155 VanDerWaalsContact O-N 3.16Å
152	E	75.6	Confident	73.8	Confident	61 Å²	61	40.8 Å²	40.8	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-73	-28.5	174.2	-171.5	-178.4	-167.5	0	0	112.8	N148 S149 Q150 R154 E155 N156	N148-E152 WeakPolarHBondContact CA-OE2 3.39Å; N148-E152 PolarHBondContact N-OE2 3.05Å; S149-E152 PolarHBondContact N-OE2 2.64Å; S149-E152 VanDerWaalsContact N-OE2 3.16Å; S149-E152 PolarHBondContact O-N 3.25Å; S149-E152 WeakPolarHBondContact OG-CB 3.5Å; S149-E152 PolarHBondContact OG-N 2.94Å; S149-E152 PolarHBondContact OG-OE2 3.36Å; Q150-E152 VanDerWaalsContact C-N 3.25Å; Q150-E152 PolarHBondContact O-N 2.9Å; E152-R154 VanDerWaalsContact C-N 3.35Å; E152-R154 PolarHBondContact O-N 2.92Å; E152-E155 PolarHBondContact O-N 3.19Å; E152-N156 WeakPolarHBondContact O-CB 3.31Å; E152-N156 PolarHBondContact O-N 2.89Å; E152-N156 PolarHBondContact O-OD1 2.93Å
153	V	75.3	Confident	74.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-49.2	170.8	176.2	0	0	0	0	109.8	A144 S147 S149 Q150 N156 I157 L220	A144-V153 HydrophobicContact CB-CG1 4.49Å; S147-V153 WeakPolarHBondContact OG-CG2 3.32Å; S149-V153 WeakPolarHBondContact O-CG2 3.28Å; S149-V153 PolarHBondContact O-N 3Å; S149-V153 VanDerWaalsContact O-N 3.1Å; Q150-V153 WeakPolarHBondContact O-CB 3.14Å; Q150-V153 PolarHBondContact O-N 2.75Å; V153-N156 PolarHBondContact O-N 3.07Å; V153-I157 HydrophobicContact CG1-CD1 3.75Å; V153-I157 HydrophobicContact CG1-CG1 4.42Å; V153-I157 WeakPolarHBondContact O-CB 3Å; V153-I157 VanDerWaalsContact O-CG1 3.26Å; V153-I157 WeakPolarHBondContact O-CG1 3.28Å; V153-I157 PolarHBondContact O-N 3.44Å; V153-L220 HydrophobicContact CG1-CD1 3.99Å
154	R	83.1	Confident	74.9	Confident	55 Å²	55	38.9 Å²	38.9	21%	0.208	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-41.9	-177.8	-62.1	178	179.3	113.6	2.9	111.2	A14 Q150 D151 E152 G158 E221	A14-R154 HydrophobicContact CB-CB 4.23Å; A14-R154 HydrophobicContact CB-CG 4.2Å; Q150-R154 PolarHBondContact O-N 2.83Å; D151-R154 PolarHBondContact O-N 2.86Å; D151-R154 IonicContact OD1-NH1 3.91Å; D151-R154 PolarHBondContact OD1-NH1 3.18Å; E152-R154 VanDerWaalsContact C-N 3.35Å; E152-R154 PolarHBondContact O-N 2.92Å; R154-G158 PolarHBondContact O-N 2.84Å; R154-E221 IonicContact NH2-OE1 3.64Å; R154-E221 PolarHBondContact NH2-OE1 3.34Å
155	E	81.3	Confident	75.5	Confident	98 Å²	98	38.9 Å²	38.9	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-69.1	-38.5	177.7	-173.7	162.6	-159.4	0	0	112.8	R7 D151 E152 G158 T159	R7-E155 IonicContact NH2-OE1 3.21Å; R7-E155 PolarHBondContact NH2-OE1 2.92Å; D151-E155 PolarHBondContact O-N 2.93Å; D151-E155 VanDerWaalsContact O-N 3.16Å; E152-E155 PolarHBondContact O-N 3.19Å; E155-G158 PolarHBondContact O-N 3.09Å; E155-T159 WeakPolarHBondContact O-CB 3Å; E155-T159 PolarHBondContact O-N 3.03Å; E155-T159 PolarHBondContact O-OG1 3.4Å
156	N	80.1	Confident	76.4	Confident	32 Å²	32	37.7 Å²	37.7	17%	0.171	20%	0.204	C	C	.	.	H	α-helix	trans	-71.2	-37.4	177.2	-71.5	-4.5	0	0	0	112.1	F143 E152 V153 T159 G160	F143-N156 WeakPolarHBondContact O-CB 3.41Å; F143-N156 PolarHBondContact O-ND2 3.33Å; E152-N156 WeakPolarHBondContact O-CB 3.31Å; E152-N156 PolarHBondContact O-N 2.89Å; E152-N156 PolarHBondContact O-OD1 2.93Å; V153-N156 PolarHBondContact O-N 3.07Å; N156-T159 PolarHBondContact O-N 2.67Å; N156-G160 PolarHBondContact O-N 3.23Å
157	I	81.6	Confident	77.1	Confident	2 Å²	2	38 Å²	38	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-46.4	170.7	-70.2	170.1	0	0	0	110	A14 A144 V153 T159 G160 M161 P213	A14-I157 HydrophobicContact CB-CB 4.29Å; A14-I157 HydrophobicContact CB-CD1 4.21Å; A14-I157 HydrophobicContact CB-CG2 4.1Å; A144-I157 HydrophobicContact CB-CD1 3.97Å; A144-I157 HydrophobicContact CB-CG1 3.66Å; V153-I157 HydrophobicContact CG1-CD1 3.75Å; V153-I157 HydrophobicContact CG1-CG1 4.42Å; V153-I157 WeakPolarHBondContact O-CB 3Å; V153-I157 VanDerWaalsContact O-CG1 3.26Å; V153-I157 WeakPolarHBondContact O-CG1 3.28Å; V153-I157 PolarHBondContact O-N 3.44Å; I157-T159 VanDerWaalsContact C-N 3.3Å; I157-T159 PolarHBondContact O-N 2.68Å; I157-G160 PolarHBondContact O-N 2.93Å; I157-M161 HydrophobicContact CG2-CG 4.41Å; I157-M161 WeakPolarHBondContact O-CB 3.43Å; I157-M161 VanDerWaalsContact O-CG 3.27Å; I157-M161 WeakPolarHBondContact O-CG 3.41Å; I157-M161 PolarHBondContact O-N 3.38Å; I157-P213 HydrophobicContact CG2-CB 3.9Å
158	G	83.1	Confident	77.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-42.1	175.1	0	0	0	0	0	112.5	R7 R154 E155 M161 A162	R7-G158 WeakPolarHBondContact CA-O 3.49Å; R154-G158 PolarHBondContact O-N 2.84Å; E155-G158 PolarHBondContact O-N 3.09Å; G158-M161 PolarHBondContact O-N 3.35Å; G158-A162 PolarHBondContact O-N 2.98Å
159	T	81.4	Confident	78.9	Confident	53 Å²	53	35.2 Å²	35.2	33%	0.325	19%	0.19	S	C	.	.	H	α-helix	trans	-69.2	-41.7	178.1	-57.1	0	0	0	0	111.9	E155 N156 I157 M161 A162 V163	E155-T159 WeakPolarHBondContact O-CB 3Å; E155-T159 PolarHBondContact O-N 3.03Å; E155-T159 PolarHBondContact O-OG1 3.4Å; N156-T159 PolarHBondContact O-N 2.67Å; I157-T159 VanDerWaalsContact C-N 3.3Å; I157-T159 PolarHBondContact O-N 2.68Å; T159-M161 VanDerWaalsContact C-N 3.34Å; T159-M161 PolarHBondContact O-N 2.62Å; T159-A162 WeakPolarHBondContact O-CB 3.33Å; T159-A162 PolarHBondContact O-N 3.31Å; T159-A162 VanDerWaalsContact O-N 3.17Å; T159-V163 PolarHBondContact O-N 3.46Å
160	G	79.3	Confident	79.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-43.1	173.3	0	0	0	0	0	112.1	N156 I157 A162 V163 L164	N156-G160 PolarHBondContact O-N 3.23Å; I157-G160 PolarHBondContact O-N 2.93Å; G160-A162 VanDerWaalsContact C-N 3.33Å; G160-A162 PolarHBondContact O-N 2.96Å; G160-V163 PolarHBondContact O-N 3.32Å; G160-L164 WeakPolarHBondContact O-CB 3.31Å; G160-L164 WeakPolarHBondContact O-CG 3.41Å; G160-L164 PolarHBondContact O-N 3.35Å
161	M	83.7	Confident	80.5	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-33.6	175.1	-69.7	-63.6	-76.3	0	0	112.7	F6 L140 I157 G158 T159 V163 G165 M209 P213	F6-M161 WeakPolarHBondContact CB-O 3.31Å; L140-M161 HydrophobicContact CD1-CG 4.01Å; L140-M161 HydrophobicContact CD1-SD 3.95Å; L140-M161 HydrophobicContact CD2-CG 4.39Å; L140-M161 HydrophobicContact CD2-SD 3.52Å; L140-M161 VanDerWaalsContact CD2-SD 3.52Å; L140-M161 HydrophobicContact CG-SD 4.41Å; I157-M161 HydrophobicContact CG2-CG 4.41Å; I157-M161 WeakPolarHBondContact O-CB 3.43Å; I157-M161 VanDerWaalsContact O-CG 3.27Å; I157-M161 WeakPolarHBondContact O-CG 3.41Å; I157-M161 PolarHBondContact O-N 3.38Å; G158-M161 PolarHBondContact O-N 3.35Å; T159-M161 VanDerWaalsContact C-N 3.34Å; T159-M161 PolarHBondContact O-N 2.62Å; M161-V163 VanDerWaalsContact C-N 3.3Å; M161-V163 PolarHBondContact O-N 2.99Å; M161-G165 VanDerWaalsContact O-CA 3.26Å; M161-G165 WeakPolarHBondContact O-CA 3.5Å; M161-G165 PolarHBondContact O-N 3.49Å; M161-M209 HydrophobicContact CE-SD 3.4Å; M161-M209 WeakPolarHBondContact CE-SD 3.39Å; M161-P213 HydrophobicContact CE-CG 4.23Å; M161-P213 HydrophobicContact SD-CG 4.1Å
162	A	83.1	Confident	81.2	Confident	13 Å²	13	26.3 Å²	26.3	11%	0.107	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-32.1	176.7	0	0	0	0	0	113.3	S3 R7 G158 T159 G160	S3-A162 WeakPolarHBondContact CB-O 3.48Å; S3-A162 PolarHBondContact OG-O 3.45Å; R7-A162 HydrophobicContact CB-CB 3.81Å; R7-A162 HydrophobicContact CG-CB 4.3Å; G158-A162 PolarHBondContact O-N 2.98Å; T159-A162 WeakPolarHBondContact O-CB 3.33Å; T159-A162 PolarHBondContact O-N 3.31Å; T159-A162 VanDerWaalsContact O-N 3.17Å; G160-A162 VanDerWaalsContact C-N 3.33Å; G160-A162 PolarHBondContact O-N 2.96Å
163	V	80.6	Confident	81.6	Confident	54 Å²	54	27.8 Å²	27.8	33%	0.327	15%	0.151	S	C	.	.	H	α-helix	trans	-88.2	-47.4	-179.4	177.2	0	0	0	0	111.3	T159 G160 M161	T159-V163 PolarHBondContact O-N 3.46Å; G160-V163 PolarHBondContact O-N 3.32Å; M161-V163 VanDerWaalsContact C-N 3.3Å; M161-V163 PolarHBondContact O-N 2.99Å
164	L	78.6	Confident	81.9	Confident	29 Å²	29	28.6 Å²	28.6	15%	0.152	16%	0.156	C	C	.	.	H	α-helix	trans	-85.7	-32.3	-173.5	-62.5	174.1	0	0	0	113.1	T139 L140 F143 G160 T167 F168	T139-L164 HydrophobicContact CG2-CD1 4.13Å; T139-L164 HydrophobicContact CG2-CD2 4.36Å; L140-L164 HydrophobicContact CB-CD1 3.98Å; L140-L164 HydrophobicContact CD1-CD1 4.33Å; F143-L164 HydrophobicContact CD2-CD1 4.35Å; F143-L164 HydrophobicContact CE2-CD1 4.18Å; G160-L164 WeakPolarHBondContact O-CB 3.31Å; G160-L164 WeakPolarHBondContact O-CG 3.41Å; G160-L164 PolarHBondContact O-N 3.35Å; L164-T167 PolarHBondContact O-N 3.28Å; L164-F168 PolarHBondContact O-N 2.84Å
165	G	81.9	Confident	81.9	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-54.9	-52.4	-173.5	0	0	0	0	0	114.4	M161 T167 F168 T169 M209	M161-G165 VanDerWaalsContact O-CA 3.26Å; M161-G165 WeakPolarHBondContact O-CA 3.5Å; M161-G165 PolarHBondContact O-N 3.49Å; G165-T167 VanDerWaalsContact C-N 3.28Å; G165-T167 PolarHBondContact O-N 3.49Å; G165-F168 PolarHBondContact O-N 3.37Å; G165-F168 VanDerWaalsContact O-N 3.15Å; G165-T169 PolarHBondContact O-N 2.96Å; G165-T169 PolarHBondContact O-OG1 3.23Å; G165-T169 VanDerWaalsContact O-OG1 3.1Å; G165-M209 VanDerWaalsContact O-CE 3.3Å; G165-M209 WeakPolarHBondContact O-CE 3.26Å
166	P	83.9	Confident	81.9	Confident	34 Å²	34	26 Å²	26	22%	0.221	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-36.9	179.2	-25.9	34.4	0	0	0	114	F6 L170	F6-P166 HydrophobicContact CD2-CG 3.8Å; F6-P166 HydrophobicContact CE2-CB 4.46Å; F6-P166 HydrophobicContact CE2-CG 3.99Å; P166-L170 WeakPolarHBondContact O-CB 3.38Å; P166-L170 PolarHBondContact O-N 3.4Å
167	T	80.8	Confident	82	Confident	27 Å²	27	26.2 Å²	26.2	17%	0.166	15%	0.15	C	C	.	.	H	α-helix	trans	-70.5	-41.4	178.9	-53.6	0	0	0	0	110.5	L164 G165 L170 D171 Q254	L164-T167 PolarHBondContact O-N 3.28Å; G165-T167 VanDerWaalsContact C-N 3.28Å; G165-T167 PolarHBondContact O-N 3.49Å; T167-L170 PolarHBondContact O-N 3.43Å; T167-D171 VanDerWaalsContact O-CG 3.29Å; T167-D171 PolarHBondContact O-N 2.91Å; T167-Q254 PolarHBondContact OG1-NE2 2.93Å
168	F	79.9	Confident	82	Confident	17 Å²	17	31.3 Å²	31.3	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-39.9	179.8	-168.7	-101.9	0	0	0	112.7	K136 L164 G165 L170 D171 A172 Y205 F208 M209	K136-F168 HydrophobicContact CD-CD2 4.19Å; L164-F168 PolarHBondContact O-N 2.84Å; G165-F168 PolarHBondContact O-N 3.37Å; G165-F168 VanDerWaalsContact O-N 3.15Å; F168-L170 VanDerWaalsContact C-N 3.33Å; F168-L170 PolarHBondContact O-N 2.88Å; F168-D171 PolarHBondContact O-N 3.14Å; F168-A172 WeakPolarHBondContact O-CB 3.29Å; F168-A172 PolarHBondContact O-N 2.98Å; F168-Y205 AromaticContact CD1-CD2 3.46Å; F168-Y205 HydrophobicContact CD1-CD2 3.46Å; F168-Y205 VanDerWaalsContact CD1-CD2 3.46Å; F168-Y205 AromaticContact CD1-CE2 3.78Å; F168-Y205 HydrophobicContact CD1-CE2 3.78Å; F168-Y205 AromaticContact CE1-CD2 3.5Å; F168-Y205 HydrophobicContact CE1-CD2 3.5Å; F168-Y205 HydrophobicContact CE1-CE2 4.24Å; F168-Y205 HydrophobicContact CE1-CG 4.27Å; F168-F208 AromaticContact CD1-CD1 3.46Å; F168-F208 HydrophobicContact CD1-CD1 3.46Å; F168-F208 VanDerWaalsContact CD1-CD1 3.46Å; F168-F208 HydrophobicContact CD1-CE1 4.1Å; F168-F208 HydrophobicContact CD1-CG 4.3Å; F168-F208 HydrophobicContact CD2-CD1 4.02Å; F168-F208 HydrophobicContact CD2-CE1 4.1Å; F168-F208 HydrophobicContact CE1-CB 3.53Å; F168-F208 AromaticContact CE1-CD1 3.22Å; F168-F208 HydrophobicContact CE1-CD1 3.22Å; F168-F208 HydrophobicContact CE1-CE1 4.2Å; F168-F208 AromaticContact CE1-CG 3.6Å; F168-F208 HydrophobicContact CE1-CG 3.6Å; F168-F208 AromaticContact CE2-CD1 3.84Å; F168-F208 HydrophobicContact CE2-CD1 3.84Å; F168-F208 HydrophobicContact CE2-CE1 4.22Å; F168-F208 HydrophobicContact CE2-CG 4.09Å; F168-F208 AromaticContact CG-CD1 3.84Å; F168-F208 HydrophobicContact CG-CD1 3.84Å; F168-F208 HydrophobicContact CG-CE1 4.04Å; F168-F208 HydrophobicContact CZ-CB 3.55Å; F168-F208 AromaticContact CZ-CD1 3.44Å; F168-F208 HydrophobicContact CZ-CD1 3.44Å; F168-F208 VanDerWaalsContact CZ-CD1 3.44Å; F168-F208 HydrophobicContact CZ-CD2 4.4Å; F168-F208 HydrophobicContact CZ-CE1 4.27Å; F168-F208 AromaticContact CZ-CG 3.49Å; F168-F208 HydrophobicContact CZ-CG 3.49Å; F168-F208 VanDerWaalsContact CZ-CG 3.49Å; F168-M209 HydrophobicContact CB-CE 4.27Å; F168-M209 HydrophobicContact CD1-CE 4Å; F168-M209 HydrophobicContact CD1-CG 4.45Å
169	T	85	Confident	81.8	Confident	33 Å²	33	32.7 Å²	32.7	20%	0.202	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-40.8	172.1	-51.2	0	0	0	0	111.8	F6 G165 L173 Y205 M209	F6-T169 WeakPolarHBondContact CZ-OG1 3.37Å; G165-T169 PolarHBondContact O-N 2.96Å; G165-T169 PolarHBondContact O-OG1 3.23Å; G165-T169 VanDerWaalsContact O-OG1 3.1Å; T169-L173 HydrophobicContact CG2-CD1 4.26Å; T169-L173 WeakPolarHBondContact O-CB 3.46Å; T169-L173 VanDerWaalsContact O-CG 3.27Å; T169-L173 WeakPolarHBondContact O-CG 3.06Å; T169-L173 PolarHBondContact O-N 3.24Å; T169-L173 VanDerWaalsContact O-N 3.07Å; T169-Y205 HydrophobicContact CG2-CE2 4.16Å; T169-Y205 WeakPolarHBondContact OG1-CE2 3.28Å; T169-Y205 PolarHBondContact OG1-OH 3.1Å; T169-M209 WeakPolarHBondContact OG1-CE 3.42Å
170	L	82.8	Confident	81.4	Confident	21 Å²	21	30.5 Å²	30.5	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-41	178.5	-174.7	64.4	0	0	0	111.9	P166 T167 F168 L173 V174 K257 M258	P166-L170 WeakPolarHBondContact O-CB 3.38Å; P166-L170 PolarHBondContact O-N 3.4Å; T167-L170 PolarHBondContact O-N 3.43Å; F168-L170 VanDerWaalsContact C-N 3.33Å; F168-L170 PolarHBondContact O-N 2.88Å; L170-L173 PolarHBondContact O-N 3.34Å; L170-V174 WeakPolarHBondContact O-CB 3.44Å; L170-V174 WeakPolarHBondContact O-CG2 3.41Å; L170-V174 PolarHBondContact O-N 3.24Å; L170-K257 HydrophobicContact CD2-CB 3.73Å; L170-K257 HydrophobicContact CD2-CD 4.45Å; L170-K257 HydrophobicContact CG-CB 4.2Å; L170-M258 HydrophobicContact CD1-CG 4.03Å; L170-M258 HydrophobicContact CD1-SD 4.45Å; L170-M258 HydrophobicContact CD2-CG 4.09Å
171	D	81.1	Confident	81.3	Confident	12 Å²	12	33.7 Å²	33.7	6%	0.064	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-47.2	177.1	-72.2	-15	0	0	0	111.3	K136 T167 F168 L173 V174 E175 K257	K136-D171 IonicContact NZ-OD2 3.51Å; K136-D171 PolarHBondContact NZ-OD2 3.36Å; T167-D171 VanDerWaalsContact O-CG 3.29Å; T167-D171 PolarHBondContact O-N 2.91Å; F168-D171 PolarHBondContact O-N 3.14Å; D171-L173 VanDerWaalsContact C-N 3.31Å; D171-L173 PolarHBondContact O-N 3.38Å; D171-V174 PolarHBondContact O-N 3.2Å; D171-E175 WeakPolarHBondContact O-CB 3.34Å; D171-E175 WeakPolarHBondContact O-CG 3.05Å; D171-E175 PolarHBondContact O-N 3.41Å; D171-K257 IonicContact OD1-NZ 3.19Å; D171-K257 PolarHBondContact OD1-NZ 3.39Å; D171-K257 IonicContact OD2-NZ 3Å
172	A	82.7	Confident	80.8	Confident	10 Å²	10	34.4 Å²	34.4	8%	0.083	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-38.2	176.7	0	0	0	0	0	112.7	F168 C176 V201 Y205	F168-A172 WeakPolarHBondContact O-CB 3.29Å; F168-A172 PolarHBondContact O-N 2.98Å; A172-C176 WeakPolarHBondContact O-CB 3.48Å; A172-C176 PolarHBondContact O-N 3.09Å; A172-V201 HydrophobicContact CB-CG1 4.03Å; A172-V201 WeakPolarHBondContact O-CG1 3.41Å; A172-Y205 HydrophobicContact CB-CD2 3.82Å; A172-Y205 HydrophobicContact CB-CG 4.17Å
173	L	84.3	Confident	80.1	Confident	92 Å²	92	35.6 Å²	35.6	48%	0.482	21%	0.205	S	C	.	.	H	α-helix	trans	-67.1	-43.7	175.3	-74.8	172.5	0	0	0	112.1	T169 L170 D171 L177	T169-L173 HydrophobicContact CG2-CD1 4.26Å; T169-L173 WeakPolarHBondContact O-CB 3.46Å; T169-L173 VanDerWaalsContact O-CG 3.27Å; T169-L173 WeakPolarHBondContact O-CG 3.06Å; T169-L173 PolarHBondContact O-N 3.24Å; T169-L173 VanDerWaalsContact O-N 3.07Å; L170-L173 PolarHBondContact O-N 3.34Å; D171-L173 VanDerWaalsContact C-N 3.31Å; D171-L173 PolarHBondContact O-N 3.38Å; L173-L177 WeakPolarHBondContact O-CB 3.34Å; L173-L177 WeakPolarHBondContact O-CD1 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.12Å; L173-L177 PolarHBondContact O-N 2.96Å
174	V	82.4	Confident	79.5	Confident	17 Å²	17	36.1 Å²	36.1	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-47.2	177.5	164.3	0	0	0	0	110.8	L170 D171 L177 L178 M260	L170-V174 WeakPolarHBondContact O-CB 3.44Å; L170-V174 WeakPolarHBondContact O-CG2 3.41Å; L170-V174 PolarHBondContact O-N 3.24Å; D171-V174 PolarHBondContact O-N 3.2Å; V174-L177 PolarHBondContact O-N 3.26Å; V174-L178 VanDerWaalsContact O-CB 3.29Å; V174-L178 WeakPolarHBondContact O-CB 3.19Å; V174-L178 PolarHBondContact O-N 2.84Å; V174-M260 HydrophobicContact CB-CE 4.37Å; V174-M260 HydrophobicContact CG1-CE 3.35Å; V174-M260 HydrophobicContact CG2-CE 4.03Å
175	E	81.6	Confident	79.1	Confident	69 Å²	69	37.7 Å²	37.7	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-45.6	178	-75.6	173.9	-169.7	0	0	111.4	D171 L177 L178 I179 V201	D171-E175 WeakPolarHBondContact O-CB 3.34Å; D171-E175 WeakPolarHBondContact O-CG 3.05Å; D171-E175 PolarHBondContact O-N 3.41Å; E175-L177 PolarHBondContact O-N 3.36Å; E175-L178 PolarHBondContact O-N 3.48Å; E175-I179 WeakPolarHBondContact O-CB 3.31Å; E175-I179 VanDerWaalsContact O-CG1 3.27Å; E175-I179 WeakPolarHBondContact O-CG1 3.18Å; E175-I179 PolarHBondContact O-N 2.89Å; E175-V201 HydrophobicContact CB-CG1 4.1Å; E175-V201 HydrophobicContact CB-CG2 4.29Å
176	C	82.9	Confident	78	Confident	30 Å²	30	40.7 Å²	40.7	20%	0.203	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-41.3	177	-174	0	0	0	0	112.2	A172 G180 C198	A172-C176 WeakPolarHBondContact O-CB 3.48Å; A172-C176 PolarHBondContact O-N 3.09Å; C176-G180 WeakPolarHBondContact O-CA 3.36Å; C176-G180 PolarHBondContact O-N 3.41Å; C176-C198 PolarHBondContact O-SG 3.42Å
177	L	82.1	Confident	77.1	Confident	36 Å²	36	42.9 Å²	42.9	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-38.5	177	-72.6	168.1	0	0	0	112.7	L173 V174 E175 G180 V181 L264 V265 H268	L173-L177 WeakPolarHBondContact O-CB 3.34Å; L173-L177 WeakPolarHBondContact O-CD1 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.12Å; L173-L177 PolarHBondContact O-N 2.96Å; V174-L177 PolarHBondContact O-N 3.26Å; E175-L177 PolarHBondContact O-N 3.36Å; L177-G180 PolarHBondContact O-N 3.04Å; L177-V181 PolarHBondContact O-N 3.5Å; L177-L264 HydrophobicContact CB-CB 4.18Å; L177-L264 HydrophobicContact CB-CD1 4.2Å; L177-L264 HydrophobicContact CD1-CB 4.46Å; L177-V265 HydrophobicContact CD1-CG2 3.65Å; L177-V265 HydrophobicContact CD2-CG2 3.75Å; L177-V265 HydrophobicContact CG-CG2 4.38Å; L177-H268 PolarHBondContact O-NE2 3.48Å
178	L	81.3	Confident	76	Confident	108 Å²	108	49.7 Å²	49.7	57%	0.565	29%	0.289	S	S	*	.	H	α-helix	trans	-68.7	-49.8	179.6	-174.8	127.8	0	0	0	111.2	V174 E175 G180 V181	V174-L178 VanDerWaalsContact O-CB 3.29Å; V174-L178 WeakPolarHBondContact O-CB 3.19Å; V174-L178 PolarHBondContact O-N 2.84Å; E175-L178 PolarHBondContact O-N 3.48Å; L178-G180 PolarHBondContact O-N 3.41Å; L178-V181 WeakPolarHBondContact O-CB 3.48Å; L178-V181 PolarHBondContact O-N 2.97Å
179	I	77.9	Confident	75	Confident	30 Å²	30	54.5 Å²	54.5	15%	0.154	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-36.1	174.2	-61.8	169.3	0	0	0	109.9	L131 E175 V181 G182 C194 V201	L131-I179 HydrophobicContact CD1-CD1 3.95Å; L131-I179 HydrophobicContact CD2-CD1 4.12Å; E175-I179 WeakPolarHBondContact O-CB 3.31Å; E175-I179 VanDerWaalsContact O-CG1 3.27Å; E175-I179 WeakPolarHBondContact O-CG1 3.18Å; E175-I179 PolarHBondContact O-N 2.89Å; I179-V181 PolarHBondContact O-N 3.27Å; I179-G182 PolarHBondContact O-N 3.01Å; I179-C194 HydrophobicContact CG2-CB 4.04Å; I179-C194 WeakPolarHBondContact CG2-O 3.33Å; I179-C194 WeakPolarHBondContact O-CB 3.25Å; I179-V201 HydrophobicContact CD1-CG2 3.98Å
180	G	74.5	Confident	73.9	Confident	7 Å²	7	56.3 Å²	56.3	7%	0.072	32%	0.319	C	S	.	.	H	α-helix	trans	-56.8	-31	177.1	0	0	0	0	0	113.5	C176 L177 L178 G182 T183 C198 H268	C176-G180 WeakPolarHBondContact O-CA 3.36Å; C176-G180 PolarHBondContact O-N 3.41Å; L177-G180 PolarHBondContact O-N 3.04Å; L178-G180 PolarHBondContact O-N 3.41Å; G180-G182 PolarHBondContact O-N 3.13Å; G180-T183 WeakPolarHBondContact O-CB 3.24Å; G180-T183 PolarHBondContact O-N 3.09Å; G180-T183 PolarHBondContact O-OG1 2.88Å; G180-C198 PolarHBondContact N-SG 3.4Å; G180-H268 PolarHBondContact O-CE1 3.43Å
181	V	77	Confident	73.1	Confident	67 Å²	67	58.4 Å²	58.4	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-35	175.9	178.5	0	0	0	0	111.1	L177 L178 I179 T183 M184 L264 H268	L177-V181 PolarHBondContact O-N 3.5Å; L178-V181 WeakPolarHBondContact O-CB 3.48Å; L178-V181 PolarHBondContact O-N 2.97Å; I179-V181 PolarHBondContact O-N 3.27Å; V181-T183 VanDerWaalsContact C-N 3.25Å; V181-T183 PolarHBondContact O-N 3.34Å; V181-M184 PolarHBondContact O-N 2.96Å; V181-M184 VanDerWaalsContact O-N 3.07Å; V181-L264 HydrophobicContact CG2-CD2 4.3Å; V181-H268 WeakPolarHBondContact CG2-NE2 3.33Å; V181-H268 PolarHBondContact N-CE1 3.44Å; V181-H268 PolarHBondContact N-NE2 2.88Å
182	G	72.1	Confident	72.3	Confident	16 Å²	16	61.4 Å²	61.4	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-23.7	177.5	0	0	0	0	0	114	I179 G180 M184 S185	I179-G182 PolarHBondContact O-N 3.01Å; G180-G182 PolarHBondContact O-N 3.13Å; G182-M184 PolarHBondContact O-N 3.42Å; G182-M184 VanDerWaalsContact O-N 3.15Å; G182-S185 VanDerWaalsContact O-CB 3.3Å; G182-S185 WeakPolarHBondContact O-CB 3.41Å; G182-S185 PolarHBondContact O-N 3.49Å
183	T	69.8	Low	71.5	Confident	38 Å²	38	63.7 Å²	63.7	23%	0.233	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-6	172.3	70.8	0	0	0	0	113.7	G180 V181 C194	G180-T183 WeakPolarHBondContact O-CB 3.24Å; G180-T183 PolarHBondContact O-N 3.09Å; G180-T183 PolarHBondContact O-OG1 2.88Å; V181-T183 VanDerWaalsContact C-N 3.25Å; V181-T183 PolarHBondContact O-N 3.34Å; T183-C194 HydrophobicContact CG2-CB 3.71Å
184	M	67.1	Low	70.9	Confident	64 Å²	64	60.3 Å²	60.3	32%	0.315	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	11.4	177.5	-54.1	-167.4	70.3	0	0	112.6	V181 G182 G186 S271 R272	V181-M184 PolarHBondContact O-N 2.96Å; V181-M184 VanDerWaalsContact O-N 3.07Å; G182-M184 PolarHBondContact O-N 3.42Å; G182-M184 VanDerWaalsContact O-N 3.15Å; M184-G186 VanDerWaalsContact C-N 3.31Å; M184-G186 PolarHBondContact O-N 3Å; M184-S271 WeakPolarHBondContact CE-OG 3.39Å; M184-R272 HydrophobicContact CE-CG 3.69Å; M184-R272 HydrophobicContact SD-CG 4.28Å
185	S	70.6	Confident	70.3	Confident	63 Å²	63	60.8 Å²	60.8	44%	0.441	35%	0.346	S	S	.	.	S	Bend	trans	-75.9	-12.8	-172.1	-171.5	0	0	0	0	114.3	G182 V187	G182-S185 VanDerWaalsContact O-CB 3.3Å; G182-S185 WeakPolarHBondContact O-CB 3.41Å; G182-S185 PolarHBondContact O-N 3.49Å; S185-V187 PolarHBondContact O-N 3.29Å
186	G	57.8	Low	69.8	Low	63 Å²	63	59.6 Å²	59.6	65%	0.649	34%	0.34	S	S	*	.	S	Bend	trans	77.7	-1.2	-177	0	0	0	0	0	114.6	M184 E191	M184-G186 VanDerWaalsContact C-N 3.31Å; M184-G186 PolarHBondContact O-N 3Å; G186-E191 WeakPolarHBondContact CA-OE1 3.48Å; G186-E191 PolarHBondContact N-OE1 2.49Å
187	V	65.9	Low	69.3	Low	81 Å²	81	58.7 Å²	58.7	49%	0.491	34%	0.335	S	S	.	.			trans	-102.6	108.9	178.6	178.8	0	0	0	0	108.6	S185 Q189 L190 E191	S185-V187 PolarHBondContact O-N 3.29Å; V187-Q189 VanDerWaalsContact C-N 3.32Å; V187-Q189 PolarHBondContact O-N 2.59Å; V187-L190 HydrophobicContact CB-CB 4.02Å; V187-L190 HydrophobicContact CG1-CB 4.07Å; V187-L190 PolarHBondContact O-N 2.79Å; V187-L190 VanDerWaalsContact O-N 3.08Å; V187-E191 WeakPolarHBondContact O-CG 3.43Å; V187-E191 PolarHBondContact O-N 2.86Å
188	K	57.4	Low	68.9	Low	170 Å²	170	57.7 Å²	57.7	74%	0.739	33%	0.332	S	S	*	.	H	α-helix	trans	-50.5	-45.9	-172.1	-78.2	-175.4	176	179.2	0	114	E191 I192	K188-E191 PolarHBondContact O-N 2.74Å; K188-I192 WeakPolarHBondContact O-CD1 3.44Å; K188-I192 VanDerWaalsContact O-CG1 3.23Å; K188-I192 WeakPolarHBondContact O-CG1 3.28Å; K188-I192 PolarHBondContact O-N 3.21Å
189	Q	58.9	Low	68.5	Low	117 Å²	117	55.8 Å²	55.8	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-41.4	-178.1	-164.6	171	5.5	0	0	111.8	V187 I192 M193	V187-Q189 VanDerWaalsContact C-N 3.32Å; V187-Q189 PolarHBondContact O-N 2.59Å; Q189-I192 PolarHBondContact O-N 3.39Å; Q189-M193 VanDerWaalsContact O-CG 3.27Å; Q189-M193 WeakPolarHBondContact O-CG 3.49Å; Q189-M193 PolarHBondContact O-N 3.33Å
190	L	62.3	Low	68.3	Low	71 Å²	71	54.7 Å²	54.7	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-66.5	-38.5	175.9	-175.5	60.5	0	0	0	111.8	V187 I192 M193 C194	V187-L190 HydrophobicContact CB-CB 4.02Å; V187-L190 HydrophobicContact CG1-CB 4.07Å; V187-L190 PolarHBondContact O-N 2.79Å; V187-L190 VanDerWaalsContact O-N 3.08Å; L190-I192 VanDerWaalsContact C-N 3.35Å; L190-I192 PolarHBondContact O-N 3.47Å; L190-M193 PolarHBondContact O-N 2.9Å; L190-C194 VanDerWaalsContact O-CB 3.32Å; L190-C194 WeakPolarHBondContact O-CB 3.27Å; L190-C194 PolarHBondContact O-N 2.95Å; L190-C194 PolarHBondContact O-SG 3.38Å
191	E	65.9	Low	68.4	Low	66 Å²	66	54.6 Å²	54.6	31%	0.308	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-41.6	176.9	-70	178.9	176.4	0	0	112.1	G186 V187 K188 G195	G186-E191 WeakPolarHBondContact CA-OE1 3.48Å; G186-E191 PolarHBondContact N-OE1 2.49Å; V187-E191 WeakPolarHBondContact O-CG 3.43Å; V187-E191 PolarHBondContact O-N 2.86Å; K188-E191 PolarHBondContact O-N 2.74Å; E191-G195 PolarHBondContact O-N 2.86Å
192	I	64.9	Low	68.4	Low	74 Å²	74	55 Å²	55	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-47	175.7	-68.2	165.6	0	0	0	110.1	K188 Q189 L190 G195 F196	K188-I192 WeakPolarHBondContact O-CD1 3.44Å; K188-I192 VanDerWaalsContact O-CG1 3.23Å; K188-I192 WeakPolarHBondContact O-CG1 3.28Å; K188-I192 PolarHBondContact O-N 3.21Å; Q189-I192 PolarHBondContact O-N 3.39Å; L190-I192 VanDerWaalsContact C-N 3.35Å; L190-I192 PolarHBondContact O-N 3.47Å; I192-G195 PolarHBondContact O-N 3.3Å; I192-F196 HydrophobicContact CG2-CD2 3.85Å; I192-F196 HydrophobicContact CG2-CE2 3.4Å; I192-F196 HydrophobicContact CG2-CZ 4.36Å; I192-F196 WeakPolarHBondContact O-CD2 3.33Å; I192-F196 PolarHBondContact O-N 3.2Å
193	M	65.8	Low	68.5	Low	59 Å²	59	54.2 Å²	54.2	29%	0.291	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-44.3	178.2	-71	178.9	75	0	0	112.9	F127 Q189 L190 G195 F196 G197	F127-M193 HydrophobicContact CD2-CE 3.97Å; F127-M193 HydrophobicContact CE2-CE 3.46Å; F127-M193 VanDerWaalsContact CE2-CE 3.46Å; F127-M193 HydrophobicContact CZ-CE 3.94Å; Q189-M193 VanDerWaalsContact O-CG 3.27Å; Q189-M193 WeakPolarHBondContact O-CG 3.49Å; Q189-M193 PolarHBondContact O-N 3.33Å; L190-M193 PolarHBondContact O-N 2.9Å; M193-G195 VanDerWaalsContact C-N 3.32Å; M193-G195 PolarHBondContact O-N 3.38Å; M193-F196 PolarHBondContact O-N 3.27Å; M193-G197 PolarHBondContact O-N 2.66Å
194	C	71.1	Confident	68.8	Low	20 Å²	20	53.3 Å²	53.3	14%	0.135	30%	0.299	C	S	.	.	H	α-helix	trans	-67.8	-32.7	176.7	-70.8	0	0	0	0	112.1	I179 T183 L190 G197 C198	I179-C194 HydrophobicContact CG2-CB 4.04Å; I179-C194 WeakPolarHBondContact CG2-O 3.33Å; I179-C194 WeakPolarHBondContact O-CB 3.25Å; T183-C194 HydrophobicContact CG2-CB 3.71Å; L190-C194 VanDerWaalsContact O-CB 3.32Å; L190-C194 WeakPolarHBondContact O-CB 3.27Å; L190-C194 PolarHBondContact O-N 2.95Å; L190-C194 PolarHBondContact O-SG 3.38Å; C194-G197 PolarHBondContact O-N 3.43Å; C194-C198 PolarHBondContact O-N 3.16Å; C194-C198 PolarHBondContact O-SG 3.21Å
195	G	70.3	Confident	69.4	Low	28 Å²	28	53 Å²	53	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-47.7	170.8	0	0	0	0	0	111.9	E191 I192 M193 C198 M199	E191-G195 PolarHBondContact O-N 2.86Å; I192-G195 PolarHBondContact O-N 3.3Å; M193-G195 VanDerWaalsContact C-N 3.32Å; M193-G195 PolarHBondContact O-N 3.38Å; G195-C198 PolarHBondContact O-N 3.42Å; G195-M199 WeakPolarHBondContact O-CG 3.45Å; G195-M199 PolarHBondContact O-N 3.45Å
196	F	69.6	Low	69.8	Low	43 Å²	43	53.3 Å²	53.3	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-40.8	174.5	-71.6	-55	0	0	0	112.7	I111 I192 M193 C198 M199 S200	I111-F196 HydrophobicContact CB-CE1 4.16Å; I111-F196 HydrophobicContact CD1-CD1 4.23Å; I111-F196 HydrophobicContact CD1-CE1 4.36Å; I111-F196 HydrophobicContact CG1-CD1 3.73Å; I111-F196 HydrophobicContact CG1-CE1 3.66Å; I111-F196 HydrophobicContact CG2-CE1 3.81Å; I111-F196 HydrophobicContact CG2-CZ 4.34Å; I192-F196 HydrophobicContact CG2-CD2 3.85Å; I192-F196 HydrophobicContact CG2-CE2 3.4Å; I192-F196 HydrophobicContact CG2-CZ 4.36Å; I192-F196 WeakPolarHBondContact O-CD2 3.33Å; I192-F196 PolarHBondContact O-N 3.2Å; M193-F196 PolarHBondContact O-N 3.27Å; F196-C198 PolarHBondContact O-N 3.13Å; F196-M199 PolarHBondContact O-N 3.15Å; F196-S200 WeakPolarHBondContact O-CB 3.35Å; F196-S200 PolarHBondContact O-N 2.9Å
197	G	72.2	Confident	70.8	Confident	11 Å²	11	50.4 Å²	50.4	11%	0.113	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-43.1	176.5	0	0	0	0	0	113.3	M193 C194 M199 S200 V201	M193-G197 PolarHBondContact O-N 2.66Å; C194-G197 PolarHBondContact O-N 3.43Å; G197-M199 PolarHBondContact O-N 3.11Å; G197-S200 WeakPolarHBondContact O-CB 3.38Å; G197-S200 PolarHBondContact O-N 3.32Å; G197-V201 WeakPolarHBondContact O-CG2 3.28Å; G197-V201 PolarHBondContact O-N 2.99Å; G197-V201 VanDerWaalsContact O-N 3.13Å
198	C	75.6	Confident	71.4	Confident	16 Å²	16	46.9 Å²	46.9	11%	0.108	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-42.5	177.3	-66.3	0	0	0	0	112	C176 G180 C194 G195 F196 V201 L202	C176-C198 PolarHBondContact O-SG 3.42Å; G180-C198 PolarHBondContact N-SG 3.4Å; C194-C198 PolarHBondContact O-N 3.16Å; C194-C198 PolarHBondContact O-SG 3.21Å; G195-C198 PolarHBondContact O-N 3.42Å; F196-C198 PolarHBondContact O-N 3.13Å; C198-V201 PolarHBondContact O-N 3.05Å; C198-L202 WeakPolarHBondContact O-CG 3.3Å; C198-L202 PolarHBondContact O-N 2.98Å
199	M	72.9	Confident	72.6	Confident	67 Å²	67	39.1 Å²	39.1	33%	0.33	20%	0.202	S	C	.	.	H	α-helix	trans	-69.2	-36.5	179.4	-68.1	-46.4	-67.1	0	0	112.5	V110 G195 F196 G197 L202 A203	V110-M199 HydrophobicContact CG1-CB 3.71Å; V110-M199 HydrophobicContact CG1-CE 3.28Å; V110-M199 HydrophobicContact CG1-CG 3.92Å; V110-M199 HydrophobicContact CG1-SD 4.44Å; G195-M199 WeakPolarHBondContact O-CG 3.45Å; G195-M199 PolarHBondContact O-N 3.45Å; F196-M199 PolarHBondContact O-N 3.15Å; G197-M199 PolarHBondContact O-N 3.11Å; M199-L202 PolarHBondContact O-N 2.73Å; M199-L202 HydrophobicContact SD-CD1 4.25Å; M199-A203 VanDerWaalsContact O-CB 3.32Å; M199-A203 WeakPolarHBondContact O-CB 3.43Å; M199-A203 PolarHBondContact O-N 2.97Å
200	S	72.6	Confident	73.8	Confident	7 Å²	7	34.4 Å²	34.4	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-57.9	-46.5	172.4	163.8	0	0	0	0	112.3	F128 F196 G197 L202 A203 N204	F128-S200 VanDerWaalsContact CD2-CB 3.48Å; F128-S200 WeakPolarHBondContact CD2-OG 3.49Å; F128-S200 WeakPolarHBondContact CE2-OG 3.5Å; F196-S200 WeakPolarHBondContact O-CB 3.35Å; F196-S200 PolarHBondContact O-N 2.9Å; G197-S200 WeakPolarHBondContact O-CB 3.38Å; G197-S200 PolarHBondContact O-N 3.32Å; S200-L202 VanDerWaalsContact C-N 3.33Å; S200-L202 PolarHBondContact O-N 3.39Å; S200-A203 PolarHBondContact O-N 3.39Å; S200-N204 VanDerWaalsContact O-CB 3.32Å; S200-N204 WeakPolarHBondContact O-CB 3.31Å; S200-N204 PolarHBondContact O-N 3.42Å
201	V	76.5	Confident	74.6	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.03	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-41.6	178.6	172	0	0	0	0	111	L131 A172 E175 I179 G197 C198 Y205	L131-V201 HydrophobicContact CD1-CG2 4.29Å; A172-V201 HydrophobicContact CB-CG1 4.03Å; A172-V201 WeakPolarHBondContact O-CG1 3.41Å; E175-V201 HydrophobicContact CB-CG1 4.1Å; E175-V201 HydrophobicContact CB-CG2 4.29Å; I179-V201 HydrophobicContact CD1-CG2 3.98Å; G197-V201 WeakPolarHBondContact O-CG2 3.28Å; G197-V201 PolarHBondContact O-N 2.99Å; G197-V201 VanDerWaalsContact O-N 3.13Å; C198-V201 PolarHBondContact O-N 3.05Å; V201-Y205 WeakPolarHBondContact O-CB 3.43Å; V201-Y205 PolarHBondContact O-N 3.37Å
202	L	77.6	Confident	75.2	Confident	75 Å²	75	28.3 Å²	28.3	39%	0.393	15%	0.151	S	C	.	.	H	α-helix	trans	-68	-41.5	177.4	-67.7	175.9	0	0	0	112.7	C198 M199 S200 Y205 F206	C198-L202 WeakPolarHBondContact O-CG 3.3Å; C198-L202 PolarHBondContact O-N 2.98Å; M199-L202 PolarHBondContact O-N 2.73Å; M199-L202 HydrophobicContact SD-CD1 4.25Å; S200-L202 VanDerWaalsContact C-N 3.33Å; S200-L202 PolarHBondContact O-N 3.39Å; L202-Y205 PolarHBondContact O-N 3.35Å; L202-F206 PolarHBondContact O-N 3.04Å
203	A	73.9	Confident	76	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-49.9	174.2	0	0	0	0	0	111.3	F106 M199 S200 Y205 F206 V207	F106-A203 HydrophobicContact CD1-CB 3.51Å; F106-A203 HydrophobicContact CE1-CB 4.05Å; M199-A203 VanDerWaalsContact O-CB 3.32Å; M199-A203 WeakPolarHBondContact O-CB 3.43Å; M199-A203 PolarHBondContact O-N 2.97Å; S200-A203 PolarHBondContact O-N 3.39Å; A203-Y205 VanDerWaalsContact C-N 3.29Å; A203-Y205 PolarHBondContact O-N 2.85Å; A203-F206 PolarHBondContact O-N 3.03Å; A203-V207 WeakPolarHBondContact O-CG2 3.4Å; A203-V207 PolarHBondContact O-N 2.98Å
204	N	75.1	Confident	76.9	Confident	18 Å²	18	22 Å²	22	10%	0.096	12%	0.119	C	C	.	.	H	α-helix	trans	-61	-40.1	177.4	-171.9	48.3	0	0	0	111.4	S200 F206 V207 F208	S200-N204 VanDerWaalsContact O-CB 3.32Å; S200-N204 WeakPolarHBondContact O-CB 3.31Å; S200-N204 PolarHBondContact O-N 3.42Å; N204-F206 PolarHBondContact O-N 3.48Å; N204-V207 PolarHBondContact O-N 3.31Å; N204-F208 WeakPolarHBondContact O-CB 3.3Å; N204-F208 PolarHBondContact O-N 3.37Å
205	Y	81	Confident	77.2	Confident	58 Å²	58	21.3 Å²	21.3	23%	0.227	12%	0.115	C	C	.	.	H	α-helix	trans	-59.9	-45.6	175.5	173.1	-96.9	0	0	0	112.4	F168 T169 A172 V201 L202 A203 F208 M209	F168-Y205 AromaticContact CD1-CD2 3.46Å; F168-Y205 HydrophobicContact CD1-CD2 3.46Å; F168-Y205 VanDerWaalsContact CD1-CD2 3.46Å; F168-Y205 AromaticContact CD1-CE2 3.78Å; F168-Y205 HydrophobicContact CD1-CE2 3.78Å; F168-Y205 AromaticContact CE1-CD2 3.5Å; F168-Y205 HydrophobicContact CE1-CD2 3.5Å; F168-Y205 HydrophobicContact CE1-CE2 4.24Å; F168-Y205 HydrophobicContact CE1-CG 4.27Å; T169-Y205 HydrophobicContact CG2-CE2 4.16Å; T169-Y205 WeakPolarHBondContact OG1-CE2 3.28Å; T169-Y205 PolarHBondContact OG1-OH 3.1Å; A172-Y205 HydrophobicContact CB-CD2 3.82Å; A172-Y205 HydrophobicContact CB-CG 4.17Å; V201-Y205 WeakPolarHBondContact O-CB 3.43Å; V201-Y205 PolarHBondContact O-N 3.37Å; L202-Y205 PolarHBondContact O-N 3.35Å; A203-Y205 VanDerWaalsContact C-N 3.29Å; A203-Y205 PolarHBondContact O-N 2.85Å; Y205-F208 PolarHBondContact O-N 3.47Å; Y205-M209 HydrophobicContact CD2-CE 4.47Å; Y205-M209 HydrophobicContact CD2-CG 4.13Å; Y205-M209 HydrophobicContact CE1-CG 4.14Å; Y205-M209 HydrophobicContact CE2-CE 3.46Å; Y205-M209 VanDerWaalsContact CE2-CE 3.46Å; Y205-M209 HydrophobicContact CE2-CG 3.65Å; Y205-M209 HydrophobicContact CE2-SD 4.4Å; Y205-M209 WeakPolarHBondContact O-CB 3.17Å; Y205-M209 WeakPolarHBondContact O-CG 3.3Å; Y205-M209 PolarHBondContact O-N 3.12Å
206	F	79.4	Confident	77.6	Confident	70 Å²	70	20.6 Å²	20.6	31%	0.307	10%	0.104	S	C	.	.	H	α-helix	trans	-63.5	-47	178.9	-179.6	-97.3	0	0	0	112	T24 F106 L202 A203 N204 F208 M209 T210	T24-F206 HydrophobicContact CG2-CE1 4.03Å; F106-F206 HydrophobicContact CD2-CD1 4.49Å; F106-F206 HydrophobicContact CE1-CD1 4.39Å; F106-F206 AromaticContact CE2-CD1 3.84Å; F106-F206 HydrophobicContact CE2-CD1 3.84Å; F106-F206 AromaticContact CE2-CE1 3.92Å; F106-F206 HydrophobicContact CE2-CE1 3.92Å; F106-F206 AromaticContact CZ-CD1 3.77Å; F106-F206 HydrophobicContact CZ-CD1 3.77Å; F106-F206 HydrophobicContact CZ-CE1 4.17Å; F106-F206 HydrophobicContact CZ-CG 4.31Å; L202-F206 PolarHBondContact O-N 3.04Å; A203-F206 PolarHBondContact O-N 3.03Å; N204-F206 PolarHBondContact O-N 3.48Å; F206-F208 VanDerWaalsContact C-N 3.31Å; F206-F208 PolarHBondContact O-N 3.48Å; F206-M209 PolarHBondContact O-N 3.38Å; F206-T210 HydrophobicContact CD2-CG2 4.35Å; F206-T210 HydrophobicContact CE2-CG2 4.05Å; F206-T210 HydrophobicContact CZ-CG2 4.36Å; F206-T210 PolarHBondContact O-N 3.46Å; F206-T210 PolarHBondContact O-OG1 3.25Å
207	V	77.5	Confident	78.2	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.096	C	C	.	.	I	π-helix	trans	-60.7	-42	177.4	172.5	0	0	0	0	110.7	T99 F106 A203 N204 F211 F212	T99-V207 HydrophobicContact CG2-CG1 3.97Å; F106-V207 HydrophobicContact CB-CG2 4.45Å; A203-V207 WeakPolarHBondContact O-CG2 3.4Å; A203-V207 PolarHBondContact O-N 2.98Å; N204-V207 PolarHBondContact O-N 3.31Å; V207-F211 HydrophobicContact CG1-CB 4.14Å; V207-F211 HydrophobicContact CG1-CD1 4.19Å; V207-F211 WeakPolarHBondContact O-CA 3.02Å; V207-F211 WeakPolarHBondContact O-CB 3.24Å; V207-F211 PolarHBondContact O-N 3.31Å; V207-F212 PolarHBondContact O-N 3.22Å
208	F	79	Confident	78.6	Confident	8 Å²	8	19 Å²	19	4%	0.035	10%	0.095	C	C	.	.	I	π-helix	trans	-69.5	-37.4	179.8	-173.2	-101.1	0	0	0	113.5	A137 L140 F168 N204 Y205 F206 F212 P213	A137-F208 HydrophobicContact CB-CD2 4Å; A137-F208 HydrophobicContact CB-CE2 3.35Å; A137-F208 HydrophobicContact CB-CZ 4.29Å; L140-F208 HydrophobicContact CB-CZ 4.35Å; L140-F208 HydrophobicContact CD2-CZ 4.06Å; F168-F208 AromaticContact CD1-CD1 3.46Å; F168-F208 HydrophobicContact CD1-CD1 3.46Å; F168-F208 VanDerWaalsContact CD1-CD1 3.46Å; F168-F208 HydrophobicContact CD1-CE1 4.1Å; F168-F208 HydrophobicContact CD1-CG 4.3Å; F168-F208 HydrophobicContact CD2-CD1 4.02Å; F168-F208 HydrophobicContact CD2-CE1 4.1Å; F168-F208 HydrophobicContact CE1-CB 3.53Å; F168-F208 AromaticContact CE1-CD1 3.22Å; F168-F208 HydrophobicContact CE1-CD1 3.22Å; F168-F208 HydrophobicContact CE1-CE1 4.2Å; F168-F208 AromaticContact CE1-CG 3.6Å; F168-F208 HydrophobicContact CE1-CG 3.6Å; F168-F208 AromaticContact CE2-CD1 3.84Å; F168-F208 HydrophobicContact CE2-CD1 3.84Å; F168-F208 HydrophobicContact CE2-CE1 4.22Å; F168-F208 HydrophobicContact CE2-CG 4.09Å; F168-F208 AromaticContact CG-CD1 3.84Å; F168-F208 HydrophobicContact CG-CD1 3.84Å; F168-F208 HydrophobicContact CG-CE1 4.04Å; F168-F208 HydrophobicContact CZ-CB 3.55Å; F168-F208 AromaticContact CZ-CD1 3.44Å; F168-F208 HydrophobicContact CZ-CD1 3.44Å; F168-F208 VanDerWaalsContact CZ-CD1 3.44Å; F168-F208 HydrophobicContact CZ-CD2 4.4Å; F168-F208 HydrophobicContact CZ-CE1 4.27Å; F168-F208 AromaticContact CZ-CG 3.49Å; F168-F208 HydrophobicContact CZ-CG 3.49Å; F168-F208 VanDerWaalsContact CZ-CG 3.49Å; N204-F208 WeakPolarHBondContact O-CB 3.3Å; N204-F208 PolarHBondContact O-N 3.37Å; Y205-F208 PolarHBondContact O-N 3.47Å; F206-F208 VanDerWaalsContact C-N 3.31Å; F206-F208 PolarHBondContact O-N 3.48Å; F208-F212 HydrophobicContact CD2-CB 4.34Å; F208-F212 AromaticContact CD2-CD1 3.92Å; F208-F212 HydrophobicContact CD2-CD1 3.92Å; F208-F212 HydrophobicContact CD2-CG 4.25Å; F208-F212 AromaticContact CE2-CD1 3.53Å; F208-F212 HydrophobicContact CE2-CD1 3.53Å; F208-F212 AromaticContact CE2-CE1 3.85Å; F208-F212 HydrophobicContact CE2-CE1 3.85Å; F208-F212 HydrophobicContact CE2-CG 4.28Å; F208-F212 HydrophobicContact CZ-CD1 4.38Å; F208-P213 VanDerWaalsContact O-CD 3.25Å; F208-P213 WeakPolarHBondContact O-CD 3.23Å
209	M	82.4	Confident	78.5	Confident	7 Å²	7	19.4 Å²	19.4	3%	0.034	10%	0.097	C	C	.	.	I	π-helix	trans	-78.1	-27.9	-177.9	-75.7	-67.1	-162.1	0	0	113.5	F6 H9 M161 G165 F168 T169 Y205 F206	F6-M209 HydrophobicContact CD1-CE 4.03Å; F6-M209 HydrophobicContact CD1-SD 4.37Å; F6-M209 HydrophobicContact CE1-CE 3.51Å; F6-M209 HydrophobicContact CE1-SD 4.26Å; F6-M209 HydrophobicContact CZ-CE 4.39Å; H9-M209 PolarHBondContact NE2-O 3.23Å; M161-M209 HydrophobicContact CE-SD 3.4Å; M161-M209 WeakPolarHBondContact CE-SD 3.39Å; G165-M209 VanDerWaalsContact O-CE 3.3Å; G165-M209 WeakPolarHBondContact O-CE 3.26Å; F168-M209 HydrophobicContact CB-CE 4.27Å; F168-M209 HydrophobicContact CD1-CE 4Å; F168-M209 HydrophobicContact CD1-CG 4.45Å; T169-M209 WeakPolarHBondContact OG1-CE 3.42Å; Y205-M209 HydrophobicContact CD2-CE 4.47Å; Y205-M209 HydrophobicContact CD2-CG 4.13Å; Y205-M209 HydrophobicContact CE1-CG 4.14Å; Y205-M209 HydrophobicContact CE2-CE 3.46Å; Y205-M209 VanDerWaalsContact CE2-CE 3.46Å; Y205-M209 HydrophobicContact CE2-CG 3.65Å; Y205-M209 HydrophobicContact CE2-SD 4.4Å; Y205-M209 WeakPolarHBondContact O-CB 3.17Å; Y205-M209 WeakPolarHBondContact O-CG 3.3Å; Y205-M209 PolarHBondContact O-N 3.12Å; F206-M209 PolarHBondContact O-N 3.38Å
210	T	83.3	Confident	78.5	Confident	18 Å²	18	17 Å²	17	11%	0.11	9%	0.086	C	C	.	.	I	π-helix	trans	-117.3	-54.3	-171.9	62.3	0	0	0	0	113.2	V13 F206	V13-T210 WeakPolarHBondContact CG1-O 2.88Å; F206-T210 HydrophobicContact CD2-CG2 4.35Å; F206-T210 HydrophobicContact CE2-CG2 4.05Å; F206-T210 HydrophobicContact CZ-CG2 4.36Å; F206-T210 PolarHBondContact O-N 3.46Å; F206-T210 PolarHBondContact O-OG1 3.25Å
211	F	79.8	Confident	78.6	Confident	3 Å²	3	18.9 Å²	18.9	1%	0.013	9%	0.094	C	C	.	.	I	π-helix	trans	-79.5	-45.1	-170.8	-171.3	-101.5	0	0	0	112.4	I21 T24 I25 F98 S102 V207 A214 C215	I21-F211 HydrophobicContact CB-CE2 4.48Å; I21-F211 HydrophobicContact CG1-CD2 4.45Å; I21-F211 HydrophobicContact CG1-CE2 4.33Å; I21-F211 HydrophobicContact CG2-CE2 4.06Å; T24-F211 HydrophobicContact CG2-CD2 4.11Å; I25-F211 HydrophobicContact CD1-CE2 4.45Å; I25-F211 HydrophobicContact CG1-CE2 4.28Å; F98-F211 HydrophobicContact CD1-CD1 4.44Å; F98-F211 AromaticContact CD1-CE1 3.3Å; F98-F211 HydrophobicContact CD1-CE1 3.3Å; F98-F211 AromaticContact CD1-CZ 3.53Å; F98-F211 HydrophobicContact CD1-CZ 3.53Å; F98-F211 AromaticContact CE1-CE1 3.39Å; F98-F211 HydrophobicContact CE1-CE1 3.39Å; F98-F211 HydrophobicContact CE1-CE2 4.05Å; F98-F211 AromaticContact CE1-CZ 3.04Å; F98-F211 HydrophobicContact CE1-CZ 3.04Å; F98-F211 HydrophobicContact CG-CE1 4.3Å; F98-F211 HydrophobicContact CZ-CE1 4.4Å; F98-F211 AromaticContact CZ-CZ 3.78Å; F98-F211 HydrophobicContact CZ-CZ 3.78Å; S102-F211 WeakPolarHBondContact OG-CD1 3.47Å; S102-F211 VanDerWaalsContact OG-CE1 3.28Å; S102-F211 WeakPolarHBondContact OG-CE1 3.5Å; S102-F211 WeakPolarHBondContact OG-CZ 3.36Å; V207-F211 HydrophobicContact CG1-CB 4.14Å; V207-F211 HydrophobicContact CG1-CD1 4.19Å; V207-F211 WeakPolarHBondContact O-CA 3.02Å; V207-F211 WeakPolarHBondContact O-CB 3.24Å; V207-F211 PolarHBondContact O-N 3.31Å; F211-A214 PolarHBondContact O-N 3.07Å; F211-C215 VanDerWaalsContact CE1-SG 3.58Å; F211-C215 PolarHBondContact O-N 2.88Å; F211-C215 PolarHBondContact O-SG 3.03Å
212	F	78.9	Confident	78.4	Confident	5 Å²	5	22.8 Å²	22.8	2%	0.022	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-47.3	-177.5	178.4	-106.1	0	0	0	113.9	A95 T99 A137 L140 A141 V207 F208 A214 C215 V216	A95-F212 HydrophobicContact CB-CE2 4.43Å; T99-F212 HydrophobicContact CG2-CD2 4.3Å; T99-F212 VanDerWaalsContact OG1-CD2 3.24Å; T99-F212 WeakPolarHBondContact OG1-CD2 3.44Å; A137-F212 HydrophobicContact CB-CD1 4.38Å; A137-F212 HydrophobicContact CB-CE1 3.78Å; A137-F212 HydrophobicContact CB-CE2 4.22Å; A137-F212 HydrophobicContact CB-CZ 3.68Å; A137-F212 WeakPolarHBondContact O-CE1 3.34Å; A137-F212 WeakPolarHBondContact O-CZ 3.47Å; L140-F212 HydrophobicContact CB-CE1 4.33Å; L140-F212 HydrophobicContact CD2-CD1 3.98Å; L140-F212 HydrophobicContact CD2-CE1 4.08Å; A141-F212 HydrophobicContact CB-CZ 4.36Å; V207-F212 PolarHBondContact O-N 3.22Å; F208-F212 HydrophobicContact CD2-CB 4.34Å; F208-F212 AromaticContact CD2-CD1 3.92Å; F208-F212 HydrophobicContact CD2-CD1 3.92Å; F208-F212 HydrophobicContact CD2-CG 4.25Å; F208-F212 AromaticContact CE2-CD1 3.53Å; F208-F212 HydrophobicContact CE2-CD1 3.53Å; F208-F212 AromaticContact CE2-CE1 3.85Å; F208-F212 HydrophobicContact CE2-CE1 3.85Å; F208-F212 HydrophobicContact CE2-CG 4.28Å; F208-F212 HydrophobicContact CZ-CD1 4.38Å; F212-A214 VanDerWaalsContact C-N 3.33Å; F212-A214 PolarHBondContact O-N 2.84Å; F212-C215 PolarHBondContact O-N 3.02Å; F212-V216 HydrophobicContact CD1-CG2 4.45Å; F212-V216 HydrophobicContact CD2-CG2 4.23Å; F212-V216 HydrophobicContact CE1-CG2 4.02Å; F212-V216 HydrophobicContact CE2-CG2 3.83Å; F212-V216 HydrophobicContact CZ-CG2 3.71Å; F212-V216 WeakPolarHBondContact O-CG2 3.3Å; F212-V216 PolarHBondContact O-N 2.66Å
213	P	82.3	Confident	77.8	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.013	11%	0.106	C	C	.	.	H	α-helix	trans	-66.3	-35	179.4	-17.8	32.6	0	0	0	112.2	V13 L140 I157 M161 F208 S217	V13-P213 HydrophobicContact CG1-CB 3.93Å; V13-P213 HydrophobicContact CG1-CG 4.43Å; L140-P213 HydrophobicContact CD2-CB 4.46Å; L140-P213 HydrophobicContact CD2-CG 4.02Å; I157-P213 HydrophobicContact CG2-CB 3.9Å; M161-P213 HydrophobicContact CE-CG 4.23Å; M161-P213 HydrophobicContact SD-CG 4.1Å; F208-P213 VanDerWaalsContact O-CD 3.25Å; F208-P213 WeakPolarHBondContact O-CD 3.23Å; P213-S217 WeakPolarHBondContact O-CB 3.4Å; P213-S217 PolarHBondContact O-N 3.42Å
214	A	83.3	Confident	77.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-43	173.7	0	0	0	0	0	111.6	V13 P17 V20 I21 F211 F212 S217 L218	V13-A214 HydrophobicContact CG1-CB 3.74Å; P17-A214 HydrophobicContact CB-CB 4.34Å; P17-A214 WeakPolarHBondContact CB-O 3.2Å; V20-A214 HydrophobicContact CB-CB 4.2Å; V20-A214 HydrophobicContact CG1-CB 4.01Å; I21-A214 HydrophobicContact CD1-CB 4.33Å; I21-A214 HydrophobicContact CG1-CB 4.05Å; F211-A214 PolarHBondContact O-N 3.07Å; F212-A214 VanDerWaalsContact C-N 3.33Å; F212-A214 PolarHBondContact O-N 2.84Å; A214-S217 PolarHBondContact O-N 2.94Å; A214-L218 WeakPolarHBondContact O-CB 3.41Å; A214-L218 PolarHBondContact O-N 3.46Å
215	C	78.3	Confident	76.5	Confident	5 Å²	5	32 Å²	32	3%	0.034	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-43.9	177.2	-67.6	0	0	0	0	112.4	F98 F211 F212 S217 L218 V219	F98-C215 VanDerWaalsContact CD1-SG 3.52Å; F211-C215 VanDerWaalsContact CE1-SG 3.58Å; F211-C215 PolarHBondContact O-N 2.88Å; F211-C215 PolarHBondContact O-SG 3.03Å; F212-C215 PolarHBondContact O-N 3.02Å; C215-S217 VanDerWaalsContact C-N 3.33Å; C215-S217 PolarHBondContact O-N 3.25Å; C215-L218 PolarHBondContact O-N 3.13Å; C215-V219 WeakPolarHBondContact O-CB 3.27Å; C215-V219 VanDerWaalsContact O-CG2 3.26Å; C215-V219 WeakPolarHBondContact O-CG2 3.08Å; C215-V219 PolarHBondContact O-N 3.17Å
216	V	78	Confident	75.3	Confident	12 Å²	12	33.5 Å²	33.5	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-43.4	176.8	172.9	0	0	0	0	110.6	A95 A144 F212 L220	A95-V216 HydrophobicContact CB-CG2 4.36Å; A144-V216 HydrophobicContact CB-CG1 3.63Å; F212-V216 HydrophobicContact CD1-CG2 4.45Å; F212-V216 HydrophobicContact CD2-CG2 4.23Å; F212-V216 HydrophobicContact CE1-CG2 4.02Å; F212-V216 HydrophobicContact CE2-CG2 3.83Å; F212-V216 HydrophobicContact CZ-CG2 3.71Å; F212-V216 WeakPolarHBondContact O-CG2 3.3Å; F212-V216 PolarHBondContact O-N 2.66Å; V216-L220 HydrophobicContact CG1-CD1 3.97Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 VanDerWaalsContact O-CG 3.27Å; V216-L220 WeakPolarHBondContact O-CG 3.49Å; V216-L220 PolarHBondContact O-N 3.46Å; V216-L220 VanDerWaalsContact O-N 3.13Å
217	S	82.5	Confident	73.8	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-46.8	175.5	-165.6	0	0	0	0	111.7	A14 P213 A214 C215 L220 E221	A14-S217 PolarHBondContact O-OG 3.34Å; A14-S217 VanDerWaalsContact O-OG 3.11Å; P213-S217 WeakPolarHBondContact O-CB 3.4Å; P213-S217 PolarHBondContact O-N 3.42Å; A214-S217 PolarHBondContact O-N 2.94Å; C215-S217 VanDerWaalsContact C-N 3.33Å; C215-S217 PolarHBondContact O-N 3.25Å; S217-L220 PolarHBondContact O-N 2.82Å; S217-E221 WeakPolarHBondContact O-CB 3.29Å; S217-E221 PolarHBondContact O-N 3.3Å
218	L	79.9	Confident	72.2	Confident	19 Å²	19	45 Å²	45	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-44.3	-179.6	-177.9	60.1	0	0	0	113	P17 W18 I21 A214 C215 L220 E221 L222	P17-L218 HydrophobicContact CB-CB 4.05Å; W18-L218 HydrophobicContact CD2-CD1 4.13Å; W18-L218 HydrophobicContact CD2-CD2 4.42Å; W18-L218 HydrophobicContact CE3-CD2 4.44Å; W18-L218 HydrophobicContact CH2-CD1 4.37Å; W18-L218 HydrophobicContact CH2-CD2 4.29Å; W18-L218 HydrophobicContact CZ2-CD1 3.56Å; W18-L218 HydrophobicContact CZ2-CD2 4.26Å; W18-L218 HydrophobicContact CZ2-CG 4.47Å; W18-L218 HydrophobicContact CZ3-CD2 4.38Å; I21-L218 HydrophobicContact CD1-CB 4.36Å; I21-L218 HydrophobicContact CD1-CD2 3.64Å; A214-L218 WeakPolarHBondContact O-CB 3.41Å; A214-L218 PolarHBondContact O-N 3.46Å; C215-L218 PolarHBondContact O-N 3.13Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 2.77Å; L218-E221 WeakPolarHBondContact O-CB 3.46Å; L218-E221 PolarHBondContact O-N 2.98Å; L218-L222 HydrophobicContact CD1-CD1 4.16Å; L218-L222 HydrophobicContact CD1-CG 4.22Å; L218-L222 HydrophobicContact CG-CD1 4.01Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CG 3.1Å; L218-L222 PolarHBondContact O-N 2.93Å
219	V	74.8	Confident	70.5	Confident	26 Å²	26	47.8 Å²	47.8	16%	0.158	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-36.5	-178.7	176.6	0	0	0	0	110.4	I91 C215 S223	I91-V219 HydrophobicContact CB-CG1 4.14Å; I91-V219 HydrophobicContact CG1-CG1 4.11Å; I91-V219 HydrophobicContact CG2-CG1 3.64Å; C215-V219 WeakPolarHBondContact O-CB 3.27Å; C215-V219 VanDerWaalsContact O-CG2 3.26Å; C215-V219 WeakPolarHBondContact O-CG2 3.08Å; C215-V219 PolarHBondContact O-N 3.17Å; V219-S223 WeakPolarHBondContact O-CB 3.36Å; V219-S223 PolarHBondContact O-N 3.29Å; V219-S223 PolarHBondContact O-OG 3.5Å
220	L	72.7	Confident	68.4	Low	16 Å²	16	55 Å²	55	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-70.1	-31.5	174.4	-69.1	174.9	0	0	0	112.8	I91 A144 L145 V153 V216 S217 L218 R224	I91-L220 HydrophobicContact CG2-CD2 4.21Å; A144-L220 HydrophobicContact CB-CD1 3.69Å; L145-L220 HydrophobicContact CD2-CD2 3.72Å; V153-L220 HydrophobicContact CG1-CD1 3.99Å; V216-L220 HydrophobicContact CG1-CD1 3.97Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 VanDerWaalsContact O-CG 3.27Å; V216-L220 WeakPolarHBondContact O-CG 3.49Å; V216-L220 PolarHBondContact O-N 3.46Å; V216-L220 VanDerWaalsContact O-N 3.13Å; S217-L220 PolarHBondContact O-N 2.82Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 2.77Å; L220-R224 WeakPolarHBondContact O-CB 3.29Å; L220-R224 PolarHBondContact O-N 3.48Å
221	E	74.8	Confident	66.3	Low	47 Å²	47	59 Å²	59	22%	0.22	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-54.7	171.6	-168.2	165.2	-148	0	0	110.9	R154 S217 L218 S223 R224 E225	R154-E221 IonicContact NH2-OE1 3.64Å; R154-E221 PolarHBondContact NH2-OE1 3.34Å; S217-E221 WeakPolarHBondContact O-CB 3.29Å; S217-E221 PolarHBondContact O-N 3.3Å; L218-E221 WeakPolarHBondContact O-CB 3.46Å; L218-E221 PolarHBondContact O-N 2.98Å; E221-S223 PolarHBondContact O-N 3.33Å; E221-R224 PolarHBondContact O-N 3.21Å; E221-E225 PolarHBondContact O-N 3.16Å
222	L	72.4	Confident	64.5	Low	86 Å²	86	64.4 Å²	64.4	45%	0.45	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-35.9	179.9	-68.2	172.1	0	0	0	113.5	L218 S226	L218-L222 HydrophobicContact CD1-CD1 4.16Å; L218-L222 HydrophobicContact CD1-CG 4.22Å; L218-L222 HydrophobicContact CG-CD1 4.01Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CG 3.1Å; L218-L222 PolarHBondContact O-N 2.93Å; L222-S226 PolarHBondContact O-N 3.42Å
223	S	65.4	Low	63.1	Low	34 Å²	34	71.8 Å²	71.8	24%	0.238	37%	0.373	C	S	.	.	H	α-helix	trans	-70.1	-34.6	-179.3	-60.8	0	0	0	0	112.1	I91 V219 E221 S226	I91-S223 WeakPolarHBondContact CD1-OG 3.27Å; I91-S223 WeakPolarHBondContact CG1-OG 3.38Å; V219-S223 WeakPolarHBondContact O-CB 3.36Å; V219-S223 PolarHBondContact O-N 3.29Å; V219-S223 PolarHBondContact O-OG 3.5Å; E221-S223 PolarHBondContact O-N 3.33Å; S223-S226 PolarHBondContact O-OG 2.9Å
224	R	63.4	Low	61.2	Low	102 Å²	102	80.2 Å²	80.2	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-77.1	-30.7	178.7	-83	177.7	160.2	164	-0.5	112.9	S147 S149 L220 E221 S226	S147-R224 PolarHBondContact O-NH2 3.35Å; S149-R224 PolarHBondContact O-NH1 2.88Å; L220-R224 WeakPolarHBondContact O-CB 3.29Å; L220-R224 PolarHBondContact O-N 3.48Å; E221-R224 PolarHBondContact O-N 3.21Å; R224-S226 VanDerWaalsContact C-N 3.3Å
225	E	57.4	Low	59.6	Low	151 Å²	151	83.2 Å²	83.2	71%	0.706	43%	0.428	S	S	*	.	H	α-helix	trans	-68.5	-28	172.1	-80.1	-174.9	152.7	0	0	113	E221 Q227	E221-E225 PolarHBondContact O-N 3.16Å; E225-Q227 PolarHBondContact O-N 2.83Å
226	S	55.3	Low	57.9	Low	91 Å²	91	84.4 Å²	84.4	64%	0.636	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.3	-177.6	75.2	0	0	0	0	115.4	L222 S223 R224	L222-S226 PolarHBondContact O-N 3.42Å; S223-S226 PolarHBondContact O-OG 2.9Å; R224-S226 VanDerWaalsContact C-N 3.3Å
227	Q	48.9	Very low	56.1	Low	114 Å²	114	89.5 Å²	89.5	53%	0.533	46%	0.461	S	S	.	.			trans	-123.3	81.7	-177.1	-68	-158.3	-9.7	0	0	111.8	E225 G229	E225-Q227 PolarHBondContact O-N 2.83Å; Q227-G229 PolarHBondContact O-N 3.46Å; Q227-G229 VanDerWaalsContact O-N 3.07Å
228	E	43.8	Very low	54.1	Low	199 Å²	199	96.1 Å²	96.1	93%	0.93	49%	0.49	S	S	*	.	S	Bend	trans	-65	103.2	157.6	-75.6	-172.8	154.9	0	0	109.1
229	G	43.3	Very low	52.2	Low	65 Å²	65	96.8 Å²	96.8	67%	0.67	50%	0.496	S	S	*	.	S	Bend	trans	116.2	1.5	152.8	0	0	0	0	0	119.7	Q227	Q227-G229 PolarHBondContact O-N 3.46Å; Q227-G229 VanDerWaalsContact O-N 3.07Å
230	H	36.9	Very low	50.4	Low	158 Å²	158	104.4 Å²	104.4	73%	0.731	52%	0.522	S	S	*	.			trans	-125.5	117.4	171.3	-69.6	-49.4	0	0	0	111.7
231	P	39.5	Very low	48.8	Very low	102 Å²	102	109.7 Å²	109.7	66%	0.662	56%	0.555	S	S	*	*			trans	-84.3	134.5	-173.9	38.5	-37.5	0	0	0	109.5	W233	P231-W233 PolarHBondContact O-N 3.3Å
232	I	43.2	Very low	47.2	Very low	117 Å²	117	113.5 Å²	113.5	60%	0.6	57%	0.574	S	S	*	*			trans	-73	67.8	176.1	-52.1	176.2	0	0	0	108.7
233	W	48.6	Very low	45.8	Very low	161 Å²	161	114.5 Å²	114.5	61%	0.61	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	85.5	172.8	-91.5	90.2	0	0	0	109.8	P231 N236	P231-W233 PolarHBondContact O-N 3.3Å; W233-N236 HydrophobicContact CE3-CB 3.77Å; W233-N236 HydrophobicContact CH2-CB 4Å; W233-N236 WeakPolarHBondContact CH2-ND2 3.43Å; W233-N236 WeakPolarHBondContact CZ2-ND2 3.49Å; W233-N236 HydrophobicContact CZ3-CB 3.47Å; W233-N236 VanDerWaalsContact CZ3-CB 3.47Å; W233-N236 WeakPolarHBondContact CZ3-ND2 3.31Å
234	Q	43.5	Very low	44.8	Very low	178 Å²	178	121.7 Å²	121.7	83%	0.832	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.5	-2.9	155.1	-112.9	173	4.9	0	0	113.4
235	L	48.4	Very low	43.7	Very low	63 Å²	63	125.9 Å²	125.9	33%	0.33	63%	0.63	S	S	.	*	S	Bend	trans	-97.6	-18.1	177.4	-87.4	149.2	0	0	0	113.7	D237 F238 S239	L235-D237 VanDerWaalsContact C-N 3.34Å; L235-D237 PolarHBondContact O-N 3.39Å; L235-F238 PolarHBondContact O-N 3.08Å; L235-S239 WeakPolarHBondContact O-CB 3.46Å; L235-S239 PolarHBondContact O-N 3.39Å; L235-S239 PolarHBondContact O-OG 2.94Å
236	N	42.6	Very low	43	Very low	31 Å²	31	125.8 Å²	125.8	17%	0.166	64%	0.635	C	S	.	*	H	α-helix	trans	-67.8	-31.4	-175.8	-124.6	-3.9	0	0	0	113.4	N148 W233 S239 R240	N148-N236 PolarHBondContact OD1-ND2 3.49Å; W233-N236 HydrophobicContact CE3-CB 3.77Å; W233-N236 HydrophobicContact CH2-CB 4Å; W233-N236 WeakPolarHBondContact CH2-ND2 3.43Å; W233-N236 WeakPolarHBondContact CZ2-ND2 3.49Å; W233-N236 HydrophobicContact CZ3-CB 3.47Å; W233-N236 VanDerWaalsContact CZ3-CB 3.47Å; W233-N236 WeakPolarHBondContact CZ3-ND2 3.31Å; N236-S239 WeakPolarHBondContact CA-OG 3.37Å; N236-S239 PolarHBondContact O-OG 3.46Å; N236-R240 PolarHBondContact O-N 3.09Å
237	D	41.4	Very low	42.9	Very low	119 Å²	119	125.8 Å²	125.8	64%	0.636	63%	0.627	S	S	*	*	H	α-helix	trans	-80.8	-20.8	175.8	-77.8	-20.2	0	0	0	112.6	L235 V241	L235-D237 VanDerWaalsContact C-N 3.34Å; L235-D237 PolarHBondContact O-N 3.39Å; D237-V241 WeakPolarHBondContact O-CG2 3.49Å
238	F	39.3	Very low	43.1	Very low	139 Å²	139	129.5 Å²	129.5	61%	0.61	64%	0.642	S	S	*	*	H	α-helix	trans	-88.6	-32.4	175.6	-107.9	-86.3	0	0	0	112.5	L235	L235-F238 PolarHBondContact O-N 3.08Å
239	S	41.4	Very low	43.8	Very low	33 Å²	33	122.3 Å²	122.3	23%	0.231	61%	0.612	C	S	.	*	H	α-helix	trans	-72.5	-41	177.3	53.3	0	0	0	0	112.2	L235 N236 V241 M242 E243	L235-S239 WeakPolarHBondContact O-CB 3.46Å; L235-S239 PolarHBondContact O-N 3.39Å; L235-S239 PolarHBondContact O-OG 2.94Å; N236-S239 WeakPolarHBondContact CA-OG 3.37Å; N236-S239 PolarHBondContact O-OG 3.46Å; S239-V241 PolarHBondContact O-N 3.21Å; S239-M242 PolarHBondContact O-N 3.02Å; S239-E243 PolarHBondContact O-N 2.93Å
240	R	37	Very low	44.9	Very low	187 Å²	187	123.4 Å²	123.4	71%	0.706	60%	0.603	S	S	*	*	H	α-helix	trans	-68.7	-29.5	178	-105.5	175.1	64.2	-174.9	-2.3	114	N236 M242 E243	N236-R240 PolarHBondContact O-N 3.09Å; R240-M242 PolarHBondContact O-N 3.37Å; R240-E243 PolarHBondContact O-N 3.29Å
241	V	39	Very low	46.3	Very low	127 Å²	127	119.6 Å²	119.6	77%	0.77	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-10.7	179	175.7	0	0	0	0	112.1	D237 S239	D237-V241 WeakPolarHBondContact O-CG2 3.49Å; S239-V241 PolarHBondContact O-N 3.21Å
242	M	40.5	Very low	47.7	Very low	127 Å²	127	119 Å²	119	63%	0.626	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	3.6	175	-65.5	-164.3	73.5	0	0	113.7	S239 R240	S239-M242 PolarHBondContact O-N 3.02Å; R240-M242 PolarHBondContact O-N 3.37Å
243	E	44	Very low	48.8	Very low	107 Å²	107	116.8 Å²	116.8	50%	0.5	58%	0.578	S	S	.	*	S	Bend	trans	-90.9	-1	-168	-115.9	175.6	179.6	0	0	115.7	S239 R240	S239-E243 PolarHBondContact O-N 2.93Å; R240-E243 PolarHBondContact O-N 3.29Å
244	E	42.5	Very low	49.7	Very low	184 Å²	184	111.9 Å²	111.9	86%	0.86	56%	0.562	S	S	*	*	S	Bend	trans	-130.2	80.3	177.1	-71.1	-175.4	155.3	0	0	110.8
245	E	40.3	Very low	51.2	Low	191 Å²	191	111.8 Å²	111.8	89%	0.893	55%	0.554	S	S	*	*	S	Bend		173.8	-17.1	129.3	-95.2	-177.1	161.3	0	0	115.2
246	D	44.2	Very low	52.6	Low	149 Å²	149	112.9 Å²	112.9	80%	0.797	56%	0.563	S	S	*	*	S	Bend	trans	-98	-11.5	-163.7	-88.4	-26.5	0	0	0	118.6
247	N	52.6	Low	54	Low	90 Å²	90	114.3 Å²	114.3	48%	0.481	57%	0.568	S	S	.	*			trans	-107.3	17.4	-165.1	-71.5	-41.4	0	0	0	116.6
248	K	54.2	Low	55.5	Low	192 Å²	192	114.3 Å²	114.3	84%	0.835	57%	0.566	S	S	*	*	S	Bend	trans	-90.4	115.9	164.5	-79.3	178.3	-176.2	166.7	0	109.1	N250	K248-N250 PolarHBondContact O-N 3.45Å
249	P	57.5	Low	57.4	Low	49 Å²	49	113.4 Å²	113.4	32%	0.318	57%	0.566	S	S	.	*			trans	-59	128.6	178.9	24.4	-33.2	0	0	0	109.6	P251 Q254	P249-P251 WeakPolarHBondContact O-CD 3.24Å; P249-P251 VanDerWaalsContact O-N 3.14Å; P249-Q254 HydrophobicContact CB-CG 4.26Å
250	N	65.4	Low	59.1	Low	88 Å²	88	115.8 Å²	115.8	47%	0.471	57%	0.574	S	S	.	*			trans	-57.4	120.1	-177.2	-178.8	-17.6	0	0	0	109.7	K248 V252 T253 Q254	K248-N250 PolarHBondContact O-N 3.45Å; N250-V252 PolarHBondContact O-N 2.8Å; N250-V252 VanDerWaalsContact O-N 3.17Å; N250-V252 WeakPolarHBondContact OD1-CB 3.45Å; N250-V252 PolarHBondContact OD1-N 3.49Å; N250-T253 PolarHBondContact O-N 3.26Å; N250-Q254 PolarHBondContact O-N 3.3Å; N250-Q254 VanDerWaalsContact O-N 3.09Å
251	P	66.8	Low	60.9	Low	77 Å²	77	107.7 Å²	107.7	50%	0.5	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-25.2	-175.4	25.3	-34.9	0	0	0	112.3	P249 R255	P249-P251 WeakPolarHBondContact O-CD 3.24Å; P249-P251 VanDerWaalsContact O-N 3.14Å; P251-R255 WeakPolarHBondContact O-CB 3.39Å; P251-R255 WeakPolarHBondContact O-CD 3.48Å; P251-R255 WeakPolarHBondContact O-CG 3.07Å; P251-R255 PolarHBondContact O-N 3.4Å; P251-R255 VanDerWaalsContact O-N 3.09Å
252	V	69.1	Low	62.7	Low	90 Å²	90	107 Å²	107	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-69.1	-47	174.7	-177.5	0	0	0	0	110.1	N250 Q254 R255 V256	N250-V252 PolarHBondContact O-N 2.8Å; N250-V252 VanDerWaalsContact O-N 3.17Å; N250-V252 WeakPolarHBondContact OD1-CB 3.45Å; N250-V252 PolarHBondContact OD1-N 3.49Å; V252-Q254 VanDerWaalsContact C-N 3.33Å; V252-Q254 PolarHBondContact O-N 2.56Å; V252-R255 PolarHBondContact O-N 3.35Å; V252-V256 HydrophobicContact CG1-CG2 4.46Å; V252-V256 VanDerWaalsContact O-CG2 3.32Å; V252-V256 WeakPolarHBondContact O-CG2 3.46Å; V252-V256 PolarHBondContact O-N 3.48Å
253	T	66.9	Low	64.4	Low	70 Å²	70	102.7 Å²	102.7	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-40.6	178.8	-48.6	0	0	0	0	111.7	N250 V256 K257	N250-T253 PolarHBondContact O-N 3.26Å; T253-V256 PolarHBondContact O-N 3.14Å; T253-K257 WeakPolarHBondContact O-CG 3.48Å; T253-K257 PolarHBondContact O-N 2.78Å
254	Q	67.6	Low	66	Low	58 Å²	58	99.2 Å²	99.2	27%	0.271	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-42.1	174.9	-73.2	-174	-25.2	0	0	112.3	T167 P249 N250 V252 K257 M258	T167-Q254 PolarHBondContact OG1-NE2 2.93Å; P249-Q254 HydrophobicContact CB-CG 4.26Å; N250-Q254 PolarHBondContact O-N 3.3Å; N250-Q254 VanDerWaalsContact O-N 3.09Å; V252-Q254 VanDerWaalsContact C-N 3.33Å; V252-Q254 PolarHBondContact O-N 2.56Å; Q254-K257 PolarHBondContact O-N 3.26Å; Q254-M258 VanDerWaalsContact O-CG 3.29Å; Q254-M258 WeakPolarHBondContact O-CG 3.49Å; Q254-M258 PolarHBondContact O-N 3.13Å
255	R	74.7	Confident	67.6	Low	177 Å²	177	93.8 Å²	93.8	67%	0.668	49%	0.49	S	S	*	.	H	α-helix	trans	-64.1	-41.1	176.2	-73.7	170.1	-174.7	-169.2	2.6	111.9	P251 V252 M258 I259	P251-R255 WeakPolarHBondContact O-CB 3.39Å; P251-R255 WeakPolarHBondContact O-CD 3.48Å; P251-R255 WeakPolarHBondContact O-CG 3.07Å; P251-R255 PolarHBondContact O-N 3.4Å; P251-R255 VanDerWaalsContact O-N 3.09Å; V252-R255 PolarHBondContact O-N 3.35Å; R255-M258 PolarHBondContact O-N 3.04Å; R255-I259 VanDerWaalsContact O-CG1 3.28Å; R255-I259 WeakPolarHBondContact O-CG1 3.44Å; R255-I259 PolarHBondContact O-N 3.16Å
256	V	76.7	Confident	69.2	Low	85 Å²	85	91.2 Å²	91.2	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-45.8	175.6	172	0	0	0	0	110.8	V252 T253 M258 I259 M260	V252-V256 HydrophobicContact CG1-CG2 4.46Å; V252-V256 VanDerWaalsContact O-CG2 3.32Å; V252-V256 WeakPolarHBondContact O-CG2 3.46Å; V252-V256 PolarHBondContact O-N 3.48Å; T253-V256 PolarHBondContact O-N 3.14Å; V256-M258 VanDerWaalsContact C-N 3.32Å; V256-M258 PolarHBondContact O-N 3.3Å; V256-I259 PolarHBondContact O-N 3.02Å; V256-M260 WeakPolarHBondContact O-CB 3.37Å; V256-M260 PolarHBondContact O-N 3.03Å
257	K	72.4	Confident	70.7	Confident	61 Å²	61	88.4 Å²	88.4	27%	0.265	47%	0.467	S	S	.	.	H	α-helix	trans	-60.6	-40.1	176.1	-76	-178	175.5	-173.1	0	112.3	L170 D171 T253 Q254 M260 S261	L170-K257 HydrophobicContact CD2-CB 3.73Å; L170-K257 HydrophobicContact CD2-CD 4.45Å; L170-K257 HydrophobicContact CG-CB 4.2Å; D171-K257 IonicContact OD1-NZ 3.19Å; D171-K257 PolarHBondContact OD1-NZ 3.39Å; D171-K257 IonicContact OD2-NZ 3Å; T253-K257 WeakPolarHBondContact O-CG 3.48Å; T253-K257 PolarHBondContact O-N 2.78Å; Q254-K257 PolarHBondContact O-N 3.26Å; K257-M260 PolarHBondContact O-N 2.66Å; K257-S261 WeakPolarHBondContact O-CB 3.14Å; K257-S261 PolarHBondContact O-N 3.13Å; K257-S261 PolarHBondContact O-OG 2.97Å; K257-S261 VanDerWaalsContact O-OG 3.13Å
258	M	74.3	Confident	71.5	Confident	119 Å²	119	85.3 Å²	85.3	59%	0.586	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-42.3	175.3	-73.3	-114.1	-66.6	0	0	113	L170 Q254 R255 V256 S261 L262	L170-M258 HydrophobicContact CD1-CG 4.03Å; L170-M258 HydrophobicContact CD1-SD 4.45Å; L170-M258 HydrophobicContact CD2-CG 4.09Å; Q254-M258 VanDerWaalsContact O-CG 3.29Å; Q254-M258 WeakPolarHBondContact O-CG 3.49Å; Q254-M258 PolarHBondContact O-N 3.13Å; R255-M258 PolarHBondContact O-N 3.04Å; V256-M258 VanDerWaalsContact C-N 3.32Å; V256-M258 PolarHBondContact O-N 3.3Å; M258-S261 WeakPolarHBondContact CA-OG 3.37Å; M258-S261 PolarHBondContact O-OG 3.34Å; M258-L262 WeakPolarHBondContact O-CB 3.46Å; M258-L262 PolarHBondContact O-N 2.96Å
259	I	78.6	Confident	72.2	Confident	121 Å²	121	78.5 Å²	78.5	62%	0.621	43%	0.429	S	S	*	.	H	α-helix	trans	-65.5	-43.5	176.7	-67.4	164.2	0	0	0	110	R255 V256 L262 G263	R255-I259 VanDerWaalsContact O-CG1 3.28Å; R255-I259 WeakPolarHBondContact O-CG1 3.44Å; R255-I259 PolarHBondContact O-N 3.16Å; V256-I259 PolarHBondContact O-N 3.02Å; I259-L262 PolarHBondContact O-N 3.49Å; I259-G263 PolarHBondContact O-N 2.74Å
260	M	77.6	Confident	72.6	Confident	82 Å²	82	82.3 Å²	82.3	40%	0.404	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-45.5	177	-174.7	-178.4	68.4	0	0	111.9	V174 V256 K257 L262 G263 L264	V174-M260 HydrophobicContact CB-CE 4.37Å; V174-M260 HydrophobicContact CG1-CE 3.35Å; V174-M260 HydrophobicContact CG2-CE 4.03Å; V256-M260 WeakPolarHBondContact O-CB 3.37Å; V256-M260 PolarHBondContact O-N 3.03Å; K257-M260 PolarHBondContact O-N 2.66Å; M260-L262 VanDerWaalsContact C-N 3.35Å; M260-L262 PolarHBondContact O-N 3.17Å; M260-G263 PolarHBondContact O-N 3.17Å; M260-L264 HydrophobicContact CG-CD1 4.38Å; M260-L264 WeakPolarHBondContact O-CG 3.39Å; M260-L264 PolarHBondContact O-N 3.36Å
261	S	73.6	Confident	72.5	Confident	18 Å²	18	80.3 Å²	80.3	13%	0.126	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-39.9	176.6	57.1	0	0	0	0	112	K257 M258 G263 L264 V265	K257-S261 WeakPolarHBondContact O-CB 3.14Å; K257-S261 PolarHBondContact O-N 3.13Å; K257-S261 PolarHBondContact O-OG 2.97Å; K257-S261 VanDerWaalsContact O-OG 3.13Å; M258-S261 WeakPolarHBondContact CA-OG 3.37Å; M258-S261 PolarHBondContact O-OG 3.34Å; S261-G263 VanDerWaalsContact C-N 3.34Å; S261-L264 PolarHBondContact O-N 3.01Å; S261-V265 VanDerWaalsContact O-CG2 3.3Å; S261-V265 WeakPolarHBondContact O-CG2 3.36Å; S261-V265 PolarHBondContact O-N 3.07Å
262	L	76.8	Confident	72.3	Confident	113 Å²	113	84.9 Å²	84.9	59%	0.592	44%	0.443	S	S	*	.	H	α-helix	trans	-64.2	-40.8	176.3	-174.6	67.4	0	0	0	111.4	M258 I259 M260 V265 M266	M258-L262 WeakPolarHBondContact O-CB 3.46Å; M258-L262 PolarHBondContact O-N 2.96Å; I259-L262 PolarHBondContact O-N 3.49Å; M260-L262 VanDerWaalsContact C-N 3.35Å; M260-L262 PolarHBondContact O-N 3.17Å; L262-V265 PolarHBondContact O-N 2.65Å; L262-M266 PolarHBondContact O-N 2.84Å
263	G	77.2	Confident	71.5	Confident	36 Å²	36	91.2 Å²	91.2	37%	0.371	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-45.5	173.9	0	0	0	0	0	112.5	I259 M260 S261 M266 V267	I259-G263 PolarHBondContact O-N 2.74Å; M260-G263 PolarHBondContact O-N 3.17Å; S261-G263 VanDerWaalsContact C-N 3.34Å; G263-M266 PolarHBondContact O-N 2.7Å; G263-V267 WeakPolarHBondContact O-CG2 3.49Å; G263-V267 PolarHBondContact O-N 3.05Å
264	L	76.1	Confident	70.9	Confident	34 Å²	34	93.1 Å²	93.1	18%	0.178	46%	0.464	C	S	.	.	H	α-helix	trans	-63.7	-41.3	176.6	-73.5	170.2	0	0	0	112	L177 V181 M260 S261 M266 V267 H268	L177-L264 HydrophobicContact CB-CB 4.18Å; L177-L264 HydrophobicContact CB-CD1 4.2Å; L177-L264 HydrophobicContact CD1-CB 4.46Å; V181-L264 HydrophobicContact CG2-CD2 4.3Å; M260-L264 HydrophobicContact CG-CD1 4.38Å; M260-L264 WeakPolarHBondContact O-CG 3.39Å; M260-L264 PolarHBondContact O-N 3.36Å; S261-L264 PolarHBondContact O-N 3.01Å; L264-M266 VanDerWaalsContact C-N 3.33Å; L264-M266 PolarHBondContact O-N 2.76Å; L264-V267 PolarHBondContact O-N 3.39Å; L264-H268 WeakPolarHBondContact O-CB 3.38Å; L264-H268 PolarHBondContact O-CD2 3.3Å; L264-H268 VanDerWaalsContact O-CD2 3.24Å; L264-H268 PolarHBondContact O-N 3.48Å
265	V	76.6	Confident	69.8	Low	70 Å²	70	94.5 Å²	94.5	42%	0.424	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-42.1	174.1	171	0	0	0	0	111.2	L177 S261 L262 H268 A269	L177-V265 HydrophobicContact CD1-CG2 3.65Å; L177-V265 HydrophobicContact CD2-CG2 3.75Å; L177-V265 HydrophobicContact CG-CG2 4.38Å; S261-V265 VanDerWaalsContact O-CG2 3.3Å; S261-V265 WeakPolarHBondContact O-CG2 3.36Å; S261-V265 PolarHBondContact O-N 3.07Å; L262-V265 PolarHBondContact O-N 2.65Å; V265-H268 PolarHBondContact O-N 3.16Å; V265-A269 VanDerWaalsContact O-CB 3.3Å; V265-A269 WeakPolarHBondContact O-CB 3.36Å; V265-A269 PolarHBondContact O-N 3.04Å
266	M	75.1	Confident	67.9	Low	137 Å²	137	95 Å²	95	68%	0.675	49%	0.486	S	S	*	.	H	α-helix	trans	-63.7	-41.3	175.3	-84.6	-166	153.9	0	0	112.5	L262 G263 L264 A269 H270	L262-M266 PolarHBondContact O-N 2.84Å; G263-M266 PolarHBondContact O-N 2.7Å; L264-M266 VanDerWaalsContact C-N 3.33Å; L264-M266 PolarHBondContact O-N 2.76Å; M266-A269 PolarHBondContact O-N 3.32Å; M266-H270 VanDerWaalsContact O-CB 3.25Å; M266-H270 WeakPolarHBondContact O-CB 3.35Å; M266-H270 PolarHBondContact O-N 2.96Å
267	V	75.4	Confident	66	Low	89 Å²	89	96.8 Å²	96.8	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175.5	170.7	0	0	0	0	110.8	G263 L264 H270 S271	G263-V267 WeakPolarHBondContact O-CG2 3.49Å; G263-V267 PolarHBondContact O-N 3.05Å; L264-V267 PolarHBondContact O-N 3.39Å; V267-H270 PolarHBondContact O-N 3.37Å; V267-S271 WeakPolarHBondContact O-CB 3.49Å; V267-S271 PolarHBondContact O-N 2.9Å
268	H	68.4	Low	64	Low	26 Å²	26	101.4 Å²	101.4	12%	0.12	53%	0.527	C	S	.	.	H	α-helix	trans	-61.2	-44.5	175.7	-90.1	-77.4	0	0	0	112.5	L177 G180 V181 L264 V265 R272	L177-H268 PolarHBondContact O-NE2 3.48Å; G180-H268 PolarHBondContact O-CE1 3.43Å; V181-H268 WeakPolarHBondContact CG2-NE2 3.33Å; V181-H268 PolarHBondContact N-CE1 3.44Å; V181-H268 PolarHBondContact N-NE2 2.88Å; L264-H268 WeakPolarHBondContact O-CB 3.38Å; L264-H268 PolarHBondContact O-CD2 3.3Å; L264-H268 VanDerWaalsContact O-CD2 3.24Å; L264-H268 PolarHBondContact O-N 3.48Å; V265-H268 PolarHBondContact O-N 3.16Å; H268-R272 WeakPolarHBondContact O-CB 3.33Å; H268-R272 PolarHBondContact O-N 3.29Å
269	A	68.4	Low	62.1	Low	48 Å²	48	101.7 Å²	101.7	40%	0.397	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-46.3	177.3	0	0	0	0	0	111.5	V265 M266 W273	V265-A269 VanDerWaalsContact O-CB 3.3Å; V265-A269 WeakPolarHBondContact O-CB 3.36Å; V265-A269 PolarHBondContact O-N 3.04Å; M266-A269 PolarHBondContact O-N 3.32Å; A269-W273 WeakPolarHBondContact O-CB 3.31Å; A269-W273 PolarHBondContact O-N 2.77Å
270	H	67.3	Low	59.6	Low	130 Å²	130	100.4 Å²	100.4	60%	0.602	54%	0.542	S	S	*	.	H	α-helix	trans	-64.7	-43.5	178.6	-173.9	-95.6	0	0	0	111.9	M266 V267 W273 I274	M266-H270 VanDerWaalsContact O-CB 3.25Å; M266-H270 WeakPolarHBondContact O-CB 3.35Å; M266-H270 PolarHBondContact O-N 2.96Å; V267-H270 PolarHBondContact O-N 3.37Å; H270-W273 PolarHBondContact O-N 3.25Å; H270-I274 WeakPolarHBondContact CE1-CD1 3.49Å; H270-I274 WeakPolarHBondContact NE2-CD1 3.33Å; H270-I274 WeakPolarHBondContact O-CB 3.27Å; H270-I274 PolarHBondContact O-N 2.97Å
271	S	63.2	Low	57.3	Low	45 Å²	45	104 Å²	104	32%	0.315	56%	0.563	S	S	.	*	H	α-helix	trans	-67.6	-39.8	-179.3	-169.2	0	0	0	0	112.7	M184 V267 S275	M184-S271 WeakPolarHBondContact CE-OG 3.39Å; V267-S271 WeakPolarHBondContact O-CB 3.49Å; V267-S271 PolarHBondContact O-N 2.9Å; S271-S275 PolarHBondContact O-OG 2.98Å
272	R	62.6	Low	55.1	Low	174 Å²	174	109.8 Å²	109.8	66%	0.657	60%	0.597	S	S	*	*	H	α-helix	trans	-74.5	-29.9	176.1	-77.2	-169.4	173.9	-173.7	-0.5	113.8	M184 H268	M184-R272 HydrophobicContact CE-CG 3.69Å; M184-R272 HydrophobicContact SD-CG 4.28Å; H268-R272 WeakPolarHBondContact O-CB 3.33Å; H268-R272 PolarHBondContact O-N 3.29Å
273	W	52.7	Low	52.7	Low	222 Å²	222	110.9 Å²	110.9	84%	0.841	61%	0.609	S	S	*	*	H	α-helix	trans	-81	-29.8	-177.9	-135.5	-66.8	0	0	0	113.5	A269 H270	A269-W273 WeakPolarHBondContact O-CB 3.31Å; A269-W273 PolarHBondContact O-N 2.77Å; H270-W273 PolarHBondContact O-N 3.25Å
274	I	54.4	Low	50.2	Low	111 Å²	111	112.4 Å²	112.4	57%	0.569	63%	0.625	S	S	*	*	H	α-helix	trans	-85.5	-15.7	-179.4	-73.1	162.6	0	0	0	112.7	H270 K276	H270-I274 WeakPolarHBondContact CE1-CD1 3.49Å; H270-I274 WeakPolarHBondContact NE2-CD1 3.33Å; H270-I274 WeakPolarHBondContact O-CB 3.27Å; H270-I274 PolarHBondContact O-N 2.97Å; I274-K276 PolarHBondContact O-N 3.07Å; I274-K276 VanDerWaalsContact O-N 3.15Å
275	S	44	Very low	47.7	Very low	86 Å²	86	116.1 Å²	116.1	60%	0.601	65%	0.654	S	S	*	*			trans	-83.6	24.6	-179.3	-58.9	0	0	0	0	114.9	S271	S271-S275 PolarHBondContact O-OG 2.98Å
276	K	33.8	Very low	45.3	Very low	188 Å²	188	118.9 Å²	118.9	82%	0.817	67%	0.666	S	S	*	*			trans	-108.4	101.1	163.7	-86.8	-173.9	176.1	177.4	0	110.2	I274	I274-K276 PolarHBondContact O-N 3.07Å; I274-K276 VanDerWaalsContact O-N 3.15Å
277	P	37.7	Very low	43	Very low	122 Å²	122	119.4 Å²	119.4	79%	0.792	67%	0.667	S	S	*	*			trans	-78.7	131.3	156.1	15	-0	0	0	0	109.6	S279	P277-S279 PolarHBondContact O-N 2.83Å
278	L	30.2	Very low	40.7	Very low	159 Å²	159	122.9 Å²	122.9	83%	0.832	68%	0.677	S	S	*	*			trans	-47	122.4	171.9	-155	77.1	0	0	0	111.7	S280	L278-S280 PolarHBondContact O-N 2.83Å
279	S	33.9	Very low	38.7	Very low	124 Å²	124	130 Å²	130	87%	0.867	72%	0.715	S	S	*	*			trans	-73	107.9	166.3	54	0	0	0	0	109.6	P277	P277-S279 PolarHBondContact O-N 2.83Å
280	S	27.5	Very low	36.6	Very low	95 Å²	95	131 Å²	131	66%	0.664	73%	0.731	S	S	*	*			trans	-135.6	110.8	161.9	65.4	0	0	0	0	110.4	L278	L278-S280 PolarHBondContact O-N 2.83Å
281	N	28.6	Very low	34.6	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	75%	0.746	S	S	*	*			trans	7.8	124.5	151.8	-61.3	-15.6	0	0	0	117.1
282	T	26.6	Very low	32.7	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	78%	0.775	S	S	*	*				-158.5	131.5	121.6	-59.4	0	0	0	0	110
283	T	26.5	Very low	31.2	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	79%	0.785	S	S	*	*			trans	-53.9	151.2	170.2	42.8	0	0	0	0	115.5
284	G	25.3	Very low	30	Very low	68 Å²	68	137.2 Å²	137.2	70%	0.701	78%	0.783	S	S	*	*			trans	137.1	117.2	136.2	0	0	0	0	0	118.4
285	S	24.1	Very low	28.7	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	80%	0.799	S	S	*	*			trans	78	102.1	142	56.9	0	0	0	0	121.8
286	N	26.1	Very low	28.2	Very low	129 Å²	129	145 Å²	145	69%	0.69	81%	0.812	S	S	*	*				80.9	116.6	114.2	-82.3	26.4	0	0	0	122.9
287	E	27.1	Very low	27.9	Very low	147 Å²	147	141.2 Å²	141.2	69%	0.687	81%	0.809	S	S	*	*				69.6	134.5	120	-67.2	178.4	154	0	0	118.1
288	Q	27.1	Very low	27.6	Very low	162 Å²	162	139.6 Å²	139.6	76%	0.757	80%	0.799	S	S	*	*			cis	-166.2	127.4	31.3	-130.5	158.5	15.1	0	0	112.3
289	L	26.7	Very low	27.7	Very low	176 Å²	176	142.9 Å²	142.9	92%	0.921	80%	0.8	S	S	*	*				55.9	131.6	120.8	-147.8	76.2	0	0	0	124.2
290	G	23.5	Very low	27.6	Very low	70 Å²	70	146.7 Å²	146.7	72%	0.722	80%	0.795	S	S	*	*			trans	140.8	74.9	146.6	0	0	0	0	0	114.2
291	M	25.1	Very low	28.2	Very low	187 Å²	187	147.3 Å²	147.3	92%	0.921	79%	0.79	S	S	*	*				73.3	104.4	84.8	-157.5	178.2	-171.8	0	0	114.5
292	E	23.8	Very low	28.7	Very low	199 Å²	199	147.5 Å²	147.5	93%	0.93	79%	0.786	S	S	*	*				-173	125.4	129.1	-105	-179.1	172.2	0	0	111.1
293	L	31.4	Very low	29.4	Very low	163 Å²	163	144 Å²	144	85%	0.853	77%	0.765	S	S	*	*			trans	-119.5	109	178.2	176.3	81.7	0	0	0	106.2
294	D	27.1	Very low	30.1	Very low	151 Å²	151	147 Å²	147	81%	0.807	77%	0.77	S	S	*	*			trans	168.9	107.4	144.6	-104.5	-13.9	0	0	0	110.4
295	Q	27.7	Very low	31.1	Very low	193 Å²	193	149.2 Å²	149.2	90%	0.902	76%	0.764	S	S	*	*			trans	168.6	83.2	144.7	-95.5	173.5	23.9	0	0	110.5
296	L	32.8	Very low	32.5	Very low	167 Å²	167	147.7 Å²	147.7	87%	0.874	75%	0.751	S	S	*	*			trans	-136.5	96	163.7	-94.8	155.1	0	0	0	108.4
297	S	27.8	Very low	33.6	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	74%	0.744	S	S	*	*			trans	-135.9	126	162	42.1	0	0	0	0	109.6
298	P	32.1	Very low	34.6	Very low	88 Å²	88	147.7 Å²	147.7	57%	0.571	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-77.2	141.6	178.8	28.8	-32.3	0	0	0	111.9	L48	L48-P298 HydrophobicContact CD2-CB 3.83Å; L48-P298 HydrophobicContact CD2-CG 3.73Å
299	R	30.7	Very low	35.6	Very low	228 Å²	228	144 Å²	144	86%	0.86	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-85.1	133.3	177.7	-79	-177.8	174.5	175.3	-1	111.4
300	R	33.4	Very low	36.8	Very low	204 Å²	204	138.9 Å²	138.9	77%	0.77	70%	0.696	S	S	*	*	B	Isolated β-bridge	trans	-83.4	130.1	169.8	178.8	-175	-87.9	-164.7	-4.7	109.4
301	I	39.4	Very low	38	Very low	109 Å²	109	139.9 Å²	139.9	56%	0.559	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-97.3	121.4	170.4	-59.6	171.6	0	0	0	108.2
302	E	39	Very low	39.2	Very low	161 Å²	161	135.1 Å²	135.1	75%	0.752	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-89.7	120.7	164	-78.6	178.3	167.5	0	0	108.3
303	P	40.5	Very low	40.4	Very low	64 Å²	64	129.3 Å²	129.3	42%	0.416	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-78.8	124.2	179.9	28.7	-30.4	0	0	0	110.7	M305 F310	P303-M305 PolarHBondContact O-N 2.92Å; P303-M305 VanDerWaalsContact O-N 3.12Å; P303-F310 HydrophobicContact CB-CD2 4.39Å
304	E	41	Very low	41.1	Very low	201 Å²	201	127 Å²	127	94%	0.939	62%	0.617	S	S	*	*	S	Bend	trans	-72.2	7.9	171.1	-67.9	-165.7	156.2	0	0	113.5
305	M	47.8	Very low	41.7	Very low	113 Å²	113	127.1 Å²	127.1	56%	0.557	62%	0.615	S	S	*	*	S	Bend	trans	-129.2	149.6	-176.5	-63.6	-171.1	81.5	0	0	111.7	P303 L307	P303-M305 PolarHBondContact O-N 2.92Å; P303-M305 VanDerWaalsContact O-N 3.12Å; M305-L307 PolarHBondContact O-N 3.08Å
306	P	52.7	Low	42.5	Very low	80 Å²	80	124 Å²	124	52%	0.519	60%	0.603	S	S	.	*			trans	-63.3	136.2	-176.6	25.2	-33.6	0	0	0	111.8	W308 H309	P306-W308 VanDerWaalsContact C-N 3.26Å; P306-W308 PolarHBondContact O-N 3.26Å; P306-H309 WeakPolarHBondContact O-CB 3.42Å; P306-H309 PolarHBondContact O-N 3.18Å
307	L	49.7	Very low	43	Very low	105 Å²	105	120.7 Å²	120.7	55%	0.55	59%	0.59	S	S	.	*	H	α-helix	trans	-43.2	-42.5	-170.2	-81.3	154.4	0	0	0	114.9	M305 H309 F310 Y311	M305-L307 PolarHBondContact O-N 3.08Å; L307-H309 VanDerWaalsContact C-N 3.3Å; L307-H309 PolarHBondContact O-N 3.4Å; L307-F310 PolarHBondContact O-N 3.48Å; L307-Y311 HydrophobicContact CB-CD2 4.4Å; L307-Y311 HydrophobicContact CB-CE2 4.29Å; L307-Y311 HydrophobicContact CD2-CE2 3.78Å; L307-Y311 WeakPolarHBondContact O-CD2 3.22Å; L307-Y311 PolarHBondContact O-N 3.13Å
308	W	48.6	Very low	44	Very low	171 Å²	171	119 Å²	119	65%	0.648	57%	0.571	S	S	*	*	H	α-helix	trans	-61.5	-34.4	179	74.2	-61	0	0	0	113.5	P306 L312	P306-W308 VanDerWaalsContact C-N 3.26Å; P306-W308 PolarHBondContact O-N 3.26Å; W308-L312 WeakPolarHBondContact O-CB 3.37Å; W308-L312 PolarHBondContact O-N 3.37Å
309	H	47.8	Very low	45.1	Very low	85 Å²	85	119.5 Å²	119.5	39%	0.394	57%	0.569	S	S	.	*	H	α-helix	trans	-74.4	-35.4	177.7	-127	62.6	0	0	0	111.9	P306 L307 L312 S313	P306-H309 WeakPolarHBondContact O-CB 3.42Å; P306-H309 PolarHBondContact O-N 3.18Å; L307-H309 VanDerWaalsContact C-N 3.3Å; L307-H309 PolarHBondContact O-N 3.4Å; H309-L312 PolarHBondContact O-N 2.95Å; H309-S313 VanDerWaalsContact O-CB 3.25Å; H309-S313 WeakPolarHBondContact O-CB 3.47Å; H309-S313 PolarHBondContact O-N 3.06Å
310	F	51.5	Low	46.4	Very low	69 Å²	69	114.7 Å²	114.7	30%	0.303	56%	0.559	S	S	.	*	H	α-helix	trans	-64.7	-44.5	172.4	178.2	-98.1	0	0	0	111.5	P303 L307 R314	P303-F310 HydrophobicContact CB-CD2 4.39Å; L307-F310 PolarHBondContact O-N 3.48Å; F310-R314 PolarHBondContact O-N 3.27Å; F310-R314 VanDerWaalsContact O-N 3.11Å
311	Y	49.3	Very low	47.7	Very low	91 Å²	91	106.2 Å²	106.2	36%	0.357	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-36.8	175.4	-72.7	-64.8	0	0	0	112.9	W46 L307 R314 M315	W46-Y311 HydrophobicContact CE3-CE1 4.1Å; W46-Y311 HydrophobicContact CZ3-CE1 4.46Å; L307-Y311 HydrophobicContact CB-CD2 4.4Å; L307-Y311 HydrophobicContact CB-CE2 4.29Å; L307-Y311 HydrophobicContact CD2-CE2 3.78Å; L307-Y311 WeakPolarHBondContact O-CD2 3.22Å; L307-Y311 PolarHBondContact O-N 3.13Å; Y311-R314 PolarHBondContact O-N 3.29Å; Y311-M315 WeakPolarHBondContact O-CB 3.19Å; Y311-M315 WeakPolarHBondContact O-CG 3.44Å; Y311-M315 PolarHBondContact O-N 3.23Å
312	L	49.8	Very low	48.6	Very low	87 Å²	87	105.5 Å²	105.5	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-46.2	174.1	-125.8	90.7	0	0	0	111.5	W308 H309 R314 M315 I316	W308-L312 WeakPolarHBondContact O-CB 3.37Å; W308-L312 PolarHBondContact O-N 3.37Å; H309-L312 PolarHBondContact O-N 2.95Å; L312-R314 VanDerWaalsContact C-N 3.32Å; L312-R314 PolarHBondContact O-N 3.43Å; L312-M315 PolarHBondContact O-N 2.82Å; L312-I316 HydrophobicContact CD2-CD1 4.2Å; L312-I316 HydrophobicContact CG-CD1 4.45Å; L312-I316 WeakPolarHBondContact O-CB 3.06Å; L312-I316 WeakPolarHBondContact O-CD1 3.31Å; L312-I316 WeakPolarHBondContact O-CG1 3.15Å; L312-I316 PolarHBondContact O-N 3.35Å
313	S	48.6	Very low	49.8	Very low	76 Å²	76	101.3 Å²	101.3	53%	0.531	51%	0.507	S	S	.	.	H	α-helix	trans	-57.5	-44.2	177.8	172.2	0	0	0	0	111.7	H309 I316 T317	H309-S313 VanDerWaalsContact O-CB 3.25Å; H309-S313 WeakPolarHBondContact O-CB 3.47Å; H309-S313 PolarHBondContact O-N 3.06Å; S313-I316 PolarHBondContact O-N 3.47Å; S313-T317 PolarHBondContact O-N 3.07Å; S313-T317 VanDerWaalsContact O-N 3.16Å
314	R	45.1	Very low	51.1	Low	116 Å²	116	102.1 Å²	102.1	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-74.9	-24.1	179.3	-152.6	163.4	102.9	170.3	2.5	113.9	W46 F310 Y311 L312 T317	W46-R314 PolarHBondContact O-NH1 3.49Å; F310-R314 PolarHBondContact O-N 3.27Å; F310-R314 VanDerWaalsContact O-N 3.11Å; Y311-R314 PolarHBondContact O-N 3.29Å; L312-R314 VanDerWaalsContact C-N 3.32Å; L312-R314 PolarHBondContact O-N 3.43Å; R314-T317 PolarHBondContact O-OG1 3.2Å
315	M	41.6	Very low	52.1	Low	153 Å²	153	93.4 Å²	93.4	75%	0.754	47%	0.468	S	S	*	.	H	α-helix	trans	-76.7	-27.2	168.1	-80.7	-164.4	74.7	0	0	112.9	Y311 L312	Y311-M315 WeakPolarHBondContact O-CB 3.19Å; Y311-M315 WeakPolarHBondContact O-CG 3.44Å; Y311-M315 PolarHBondContact O-N 3.23Å; L312-M315 PolarHBondContact O-N 2.82Å
316	I	43.3	Very low	52.9	Low	126 Å²	126	92.3 Å²	92.3	65%	0.646	46%	0.464	S	S	*	.	H	α-helix	trans	-81.9	-22.7	-179.7	-69.2	164.2	0	0	0	111.8	L312 S313 M318	L312-I316 HydrophobicContact CD2-CD1 4.2Å; L312-I316 HydrophobicContact CG-CD1 4.45Å; L312-I316 WeakPolarHBondContact O-CB 3.06Å; L312-I316 WeakPolarHBondContact O-CD1 3.31Å; L312-I316 WeakPolarHBondContact O-CG1 3.15Å; L312-I316 PolarHBondContact O-N 3.35Å; S313-I316 PolarHBondContact O-N 3.47Å; I316-M318 PolarHBondContact O-N 3.17Å
317	T	42.9	Very low	53.7	Low	99 Å²	99	91.1 Å²	91.1	61%	0.607	46%	0.461	S	S	*	.			trans	-76.1	67.9	166.7	51.6	0	0	0	0	110.6	S313 R314	S313-T317 PolarHBondContact O-N 3.07Å; S313-T317 VanDerWaalsContact O-N 3.16Å; R314-T317 PolarHBondContact O-OG1 3.2Å
318	M	48.6	Very low	54.8	Low	72 Å²	72	88.4 Å²	88.4	36%	0.355	45%	0.447	S	S	.	.			trans	-76.7	131	169.5	-70.8	-164.4	73.8	0	0	109.8	I316 Q322 V323 L326	I316-M318 PolarHBondContact O-N 3.17Å; M318-Q322 HydrophobicContact CE-CB 3.46Å; M318-Q322 VanDerWaalsContact CE-CB 3.46Å; M318-V323 HydrophobicContact CB-CG2 3.44Å; M318-V323 VanDerWaalsContact CB-CG2 3.44Å; M318-V323 HydrophobicContact CG-CG2 4.43Å; M318-V323 HydrophobicContact SD-CG2 4.31Å; M318-L326 HydrophobicContact CE-CB 4.44Å; M318-L326 HydrophobicContact CE-CD2 3.97Å; M318-L326 HydrophobicContact SD-CD2 4.03Å
319	D	55.8	Low	55.7	Low	99 Å²	99	82.2 Å²	82.2	53%	0.529	43%	0.432	S	S	.	.			trans	-61.7	145	170	-153.5	-14.7	0	0	0	109.8	E321 Q322 V323	D319-E321 PolarHBondContact O-N 3.39Å; D319-E321 VanDerWaalsContact O-N 3.08Å; D319-Q322 HydrophobicContact CB-CG 4.29Å; D319-Q322 PolarHBondContact O-N 3.12Å; D319-V323 PolarHBondContact O-N 3.09Å; D319-V323 VanDerWaalsContact O-N 3.13Å
320	I	59.2	Low	56.9	Low	128 Å²	128	83 Å²	83	66%	0.656	44%	0.439	S	S	*	.	H	α-helix	trans	-55.1	-36.2	-173.7	-68.4	171.4	0	0	0	110.6	Q322 V323 I324	I320-Q322 PolarHBondContact O-N 2.87Å; I320-V323 PolarHBondContact O-N 2.96Å; I320-I324 HydrophobicContact CG2-CD1 3.82Å; I320-I324 HydrophobicContact CG2-CG1 4.45Å; I320-I324 VanDerWaalsContact O-CG1 3.3Å; I320-I324 WeakPolarHBondContact O-CG1 3.45Å; I320-I324 PolarHBondContact O-N 3.26Å
321	E	59.9	Low	58.1	Low	25 Å²	25	85.1 Å²	85.1	12%	0.117	45%	0.452	C	S	.	.	H	α-helix	trans	-60.2	-43.1	175.7	-55	-166.6	147.2	0	0	113.1	I62 T66 R69 D319 I324 C325	I62-E321 WeakPolarHBondContact CG2-OE1 3.35Å; T66-E321 VanDerWaalsContact OG1-CD 3.29Å; T66-E321 WeakPolarHBondContact OG1-CG 3.34Å; T66-E321 PolarHBondContact OG1-OE1 2.88Å; R69-E321 IonicContact CZ-OE2 3.83Å; R69-E321 IonicContact NH1-OE2 2.72Å; R69-E321 PolarHBondContact NH1-OE2 3.42Å; D319-E321 PolarHBondContact O-N 3.39Å; D319-E321 VanDerWaalsContact O-N 3.08Å; E321-I324 PolarHBondContact O-N 3.41Å; E321-C325 WeakPolarHBondContact O-CB 3.22Å; E321-C325 PolarHBondContact O-N 3.42Å; E321-C325 PolarHBondContact O-SG 3.09Å
322	Q	57.3	Low	59.3	Low	95 Å²	95	81.8 Å²	81.8	44%	0.444	44%	0.441	S	S	.	.	H	α-helix	trans	-71.5	-35.3	-178.4	-62	-178.3	-7.9	0	0	110.6	M318 D319 I320 L326	M318-Q322 HydrophobicContact CE-CB 3.46Å; M318-Q322 VanDerWaalsContact CE-CB 3.46Å; D319-Q322 HydrophobicContact CB-CG 4.29Å; D319-Q322 PolarHBondContact O-N 3.12Å; I320-Q322 PolarHBondContact O-N 2.87Å; Q322-L326 WeakPolarHBondContact O-CB 3.44Å; Q322-L326 PolarHBondContact O-N 3.07Å
323	V	65.6	Low	60.1	Low	72 Å²	72	79.7 Å²	79.7	44%	0.436	44%	0.436	S	S	.	.	H	α-helix	trans	-64.1	-44.8	175	179.9	0	0	0	0	111	M318 D319 I320 L326 A327	M318-V323 HydrophobicContact CB-CG2 3.44Å; M318-V323 VanDerWaalsContact CB-CG2 3.44Å; M318-V323 HydrophobicContact CG-CG2 4.43Å; M318-V323 HydrophobicContact SD-CG2 4.31Å; D319-V323 PolarHBondContact O-N 3.09Å; D319-V323 VanDerWaalsContact O-N 3.13Å; I320-V323 PolarHBondContact O-N 2.96Å; V323-L326 PolarHBondContact O-N 3.19Å; V323-A327 VanDerWaalsContact O-CB 3.22Å; V323-A327 WeakPolarHBondContact O-CB 3.45Å; V323-A327 PolarHBondContact O-N 3.12Å
324	I	67.2	Low	61.3	Low	82 Å²	82	79.4 Å²	79.4	42%	0.421	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-47.7	178.5	-67.7	167.7	0	0	0	110.7	I320 E321 A327 L328	I320-I324 HydrophobicContact CG2-CD1 3.82Å; I320-I324 HydrophobicContact CG2-CG1 4.45Å; I320-I324 VanDerWaalsContact O-CG1 3.3Å; I320-I324 WeakPolarHBondContact O-CG1 3.45Å; I320-I324 PolarHBondContact O-N 3.26Å; E321-I324 PolarHBondContact O-N 3.41Å; I324-A327 PolarHBondContact O-N 2.91Å; I324-L328 WeakPolarHBondContact O-CB 3.43Å; I324-L328 PolarHBondContact O-N 3.4Å
325	C	62.4	Low	62.7	Low	18 Å²	18	78.3 Å²	78.3	12%	0.122	43%	0.43	C	S	.	.	H	α-helix	trans	-62.9	-42.9	178.5	-73	0	0	0	0	112.1	I73 E321 L328 A329	I73-C325 HydrophobicContact CD1-CB 3.92Å; E321-C325 WeakPolarHBondContact O-CB 3.22Å; E321-C325 PolarHBondContact O-N 3.42Å; E321-C325 PolarHBondContact O-SG 3.09Å; C325-L328 PolarHBondContact O-N 2.9Å; C325-A329 WeakPolarHBondContact O-CB 3.36Å; C325-A329 PolarHBondContact O-N 3.41Å
326	L	63.3	Low	64	Low	89 Å²	89	73.5 Å²	73.5	47%	0.466	40%	0.403	S	S	.	.	H	α-helix	trans	-67.1	-41.1	178.8	-171.6	69.4	0	0	0	111.4	M318 Q322 V323 A329 L330	M318-L326 HydrophobicContact CE-CB 4.44Å; M318-L326 HydrophobicContact CE-CD2 3.97Å; M318-L326 HydrophobicContact SD-CD2 4.03Å; Q322-L326 WeakPolarHBondContact O-CB 3.44Å; Q322-L326 PolarHBondContact O-N 3.07Å; V323-L326 PolarHBondContact O-N 3.19Å; L326-A329 PolarHBondContact O-N 3.06Å; L326-L330 HydrophobicContact CG-CD1 4.05Å; L326-L330 WeakPolarHBondContact O-CB 3.27Å; L326-L330 PolarHBondContact O-N 3.43Å
327	A	70.1	Confident	65.1	Low	55 Å²	55	71.9 Å²	71.9	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-42.7	175.4	0	0	0	0	0	112	V323 I324 L331	V323-A327 VanDerWaalsContact O-CB 3.22Å; V323-A327 WeakPolarHBondContact O-CB 3.45Å; V323-A327 PolarHBondContact O-N 3.12Å; I324-A327 PolarHBondContact O-N 2.91Å; A327-L331 VanDerWaalsContact O-CB 3.29Å; A327-L331 WeakPolarHBondContact O-CB 3.45Å; A327-L331 PolarHBondContact O-N 3.09Å
328	L	74.1	Confident	66	Low	49 Å²	49	73.7 Å²	73.7	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-64.2	-45.7	175.7	-178.1	64.4	0	0	0	111.6	C70 I73 I324 C325 L331 L332	C70-L328 HydrophobicContact CB-CD2 4.08Å; I73-L328 HydrophobicContact CB-CD2 4.33Å; I73-L328 HydrophobicContact CG2-CD2 4.15Å; I73-L328 HydrophobicContact CG2-CG 4.18Å; I324-L328 WeakPolarHBondContact O-CB 3.43Å; I324-L328 PolarHBondContact O-N 3.4Å; C325-L328 PolarHBondContact O-N 2.9Å; L328-L331 PolarHBondContact O-N 3.23Å; L328-L332 HydrophobicContact CD1-CD1 4.09Å; L328-L332 HydrophobicContact CD1-CG 4.33Å; L328-L332 HydrophobicContact CG-CD1 4.02Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 WeakPolarHBondContact O-CG 3.1Å; L328-L332 PolarHBondContact O-N 3.36Å
329	A	67.3	Low	66.3	Low	40 Å²	40	77.1 Å²	77.1	33%	0.331	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-43.8	177.5	0	0	0	0	0	111.9	I73 C325 L326 L332 A333	I73-A329 HydrophobicContact CG2-CB 4.46Å; C325-A329 WeakPolarHBondContact O-CB 3.36Å; C325-A329 PolarHBondContact O-N 3.41Å; L326-A329 PolarHBondContact O-N 3.06Å; A329-L332 PolarHBondContact O-N 3.06Å; A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.3Å; A329-A333 PolarHBondContact O-N 3.22Å
330	L	71.3	Confident	66.5	Low	103 Å²	103	73.5 Å²	73.5	54%	0.539	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-44.4	174.9	-89.5	156.3	0	0	0	112	L326 A333 V334	L326-L330 HydrophobicContact CG-CD1 4.05Å; L326-L330 WeakPolarHBondContact O-CB 3.27Å; L326-L330 PolarHBondContact O-N 3.43Å; L330-A333 PolarHBondContact O-N 3.09Å; L330-V334 WeakPolarHBondContact O-CB 3.38Å; L330-V334 VanDerWaalsContact O-CG2 3.25Å; L330-V334 WeakPolarHBondContact O-CG2 3.08Å; L330-V334 PolarHBondContact O-N 3.46Å
331	L	77.1	Confident	66.1	Low	112 Å²	112	71.2 Å²	71.2	59%	0.586	37%	0.374	S	S	*	.	H	α-helix	trans	-63.4	-43.8	179.2	-170.7	152.8	0	0	0	111.3	A327 L328 V334 K335	A327-L331 VanDerWaalsContact O-CB 3.29Å; A327-L331 WeakPolarHBondContact O-CB 3.45Å; A327-L331 PolarHBondContact O-N 3.09Å; L328-L331 PolarHBondContact O-N 3.23Å; L331-V334 PolarHBondContact O-N 3.29Å; L331-K335 VanDerWaalsContact O-CB 3.31Å; L331-K335 WeakPolarHBondContact O-CB 3.35Å; L331-K335 PolarHBondContact O-N 2.87Å
332	L	74.8	Confident	65.8	Low	21 Å²	21	74.7 Å²	74.7	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-68.4	-37.5	176.5	-69.8	172.6	0	0	0	112.1	I73 V74 Y77 L328 A329 K335 Y336	I73-L332 HydrophobicContact CG2-CD1 3.77Å; V74-L332 HydrophobicContact CG2-CD1 4.43Å; Y77-L332 HydrophobicContact CD1-CD2 4.16Å; Y77-L332 HydrophobicContact CD2-CB 3.94Å; Y77-L332 HydrophobicContact CD2-CD2 4.05Å; Y77-L332 HydrophobicContact CD2-CG 4.45Å; Y77-L332 HydrophobicContact CE1-CD2 4.32Å; Y77-L332 HydrophobicContact CE2-CB 4.45Å; Y77-L332 HydrophobicContact CE2-CD2 4.23Å; Y77-L332 HydrophobicContact CG-CB 4.42Å; Y77-L332 HydrophobicContact CG-CD1 4.38Å; Y77-L332 HydrophobicContact CG-CD2 4.02Å; L328-L332 HydrophobicContact CD1-CD1 4.09Å; L328-L332 HydrophobicContact CD1-CG 4.33Å; L328-L332 HydrophobicContact CG-CD1 4.02Å; L328-L332 WeakPolarHBondContact O-CB 3.34Å; L328-L332 WeakPolarHBondContact O-CG 3.1Å; L328-L332 PolarHBondContact O-N 3.36Å; A329-L332 PolarHBondContact O-N 3.06Å; L332-K335 PolarHBondContact O-N 3.47Å; L332-Y336 WeakPolarHBondContact O-CB 3.43Å; L332-Y336 PolarHBondContact O-N 2.8Å
333	A	66.8	Low	65.6	Low	44 Å²	44	76 Å²	76	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-43.7	174.1	0	0	0	0	0	111.8	A329 L330 Y336 I337	A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.3Å; A329-A333 PolarHBondContact O-N 3.22Å; L330-A333 PolarHBondContact O-N 3.09Å; A333-Y336 PolarHBondContact O-N 3.16Å; A333-I337 WeakPolarHBondContact O-CB 3.34Å; A333-I337 VanDerWaalsContact O-CG1 3.27Å; A333-I337 WeakPolarHBondContact O-CG1 3.5Å; A333-I337 PolarHBondContact O-N 3.46Å
334	V	73.6	Confident	64.9	Low	70 Å²	70	76.1 Å²	76.1	42%	0.424	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-44	174.7	170.1	0	0	0	0	110.6	L330 L331 I337 F338	L330-V334 WeakPolarHBondContact O-CB 3.38Å; L330-V334 VanDerWaalsContact O-CG2 3.25Å; L330-V334 WeakPolarHBondContact O-CG2 3.08Å; L330-V334 PolarHBondContact O-N 3.46Å; L331-V334 PolarHBondContact O-N 3.29Å; V334-I337 PolarHBondContact O-N 3.43Å; V334-F338 HydrophobicContact CG1-CD2 4.13Å; V334-F338 WeakPolarHBondContact O-CB 3.17Å; V334-F338 PolarHBondContact O-N 2.85Å
335	K	74.3	Confident	64.3	Low	93 Å²	93	78 Å²	78	40%	0.404	41%	0.407	S	S	.	.	I	π-helix	trans	-61.2	-44.6	175.4	-174.7	-177.8	175.3	-176.2	0	111.8	L331 L332 F339 E340	L331-K335 VanDerWaalsContact O-CB 3.31Å; L331-K335 WeakPolarHBondContact O-CB 3.35Å; L331-K335 PolarHBondContact O-N 2.87Å; L332-K335 PolarHBondContact O-N 3.47Å; K335-F339 HydrophobicContact CG-CB 4.34Å; K335-F339 PolarHBondContact O-N 3.25Å; K335-F339 VanDerWaalsContact O-N 3.14Å; K335-E340 PolarHBondContact O-N 2.76Å
336	Y	68.8	Low	63.4	Low	52 Å²	52	79.9 Å²	79.9	20%	0.204	42%	0.42	C	S	.	.	I	π-helix	trans	-62.2	-44.9	178.5	-176.6	-103.2	0	0	0	111.9	Y77 F80 R84 L332 A333	Y77-Y336 HydrophobicContact CE2-CD2 4.31Å; F80-Y336 HydrophobicContact CB-CE2 4.12Å; R84-Y336 PolarHBondContact NH1-O 3.46Å; R84-Y336 PolarHBondContact NH2-O 3.02Å; L332-Y336 WeakPolarHBondContact O-CB 3.43Å; L332-Y336 PolarHBondContact O-N 2.8Å; A333-Y336 PolarHBondContact O-N 3.16Å
337	I	67.4	Low	62.7	Low	91 Å²	91	79.8 Å²	79.8	47%	0.467	42%	0.423	S	S	.	.	I	π-helix	trans	-74.3	-49.1	-177.3	-65.8	168.7	0	0	0	111.2	A333 V334	A333-I337 WeakPolarHBondContact O-CB 3.34Å; A333-I337 VanDerWaalsContact O-CG1 3.27Å; A333-I337 WeakPolarHBondContact O-CG1 3.5Å; A333-I337 PolarHBondContact O-N 3.46Å; V334-I337 PolarHBondContact O-N 3.43Å
338	F	61	Low	61.5	Low	137 Å²	137	83 Å²	83	60%	0.601	43%	0.432	S	S	*	.	I	π-helix	trans	-100	-41	-165.3	-69.4	-83.1	0	0	0	115.3	V334	V334-F338 HydrophobicContact CG1-CD2 4.13Å; V334-F338 WeakPolarHBondContact O-CB 3.17Å; V334-F338 PolarHBondContact O-N 2.85Å
339	F	55.9	Low	59.9	Low	145 Å²	145	84.7 Å²	84.7	64%	0.636	45%	0.448	S	S	*	.	I	π-helix	trans	-87.2	-38.2	-169	-90.1	-91.5	0	0	0	113.3	K335 Q341 V342 E343	K335-F339 HydrophobicContact CG-CB 4.34Å; K335-F339 PolarHBondContact O-N 3.25Å; K335-F339 VanDerWaalsContact O-N 3.14Å; F339-Q341 VanDerWaalsContact C-N 3.31Å; F339-Q341 PolarHBondContact O-N 3.02Å; F339-V342 PolarHBondContact O-N 3.31Å; F339-E343 PolarHBondContact O-N 3.4Å
340	E	58.3	Low	58.7	Low	22 Å²	22	89.9 Å²	89.9	10%	0.103	47%	0.47	C	S	.	.	H	α-helix	trans	-71.8	-23.9	178.9	-91.9	-172.6	149.6	0	0	113.7	Q81 R84 K335 V342 E343 M344	Q81-E340 WeakPolarHBondContact CG-OE1 3.25Å; Q81-E340 PolarHBondContact NE2-OE1 3.26Å; R84-E340 VanDerWaalsContact NH1-CB 3.27Å; R84-E340 IonicContact NH1-OE2 2.78Å; R84-E340 PolarHBondContact NH1-OE2 2.67Å; K335-E340 PolarHBondContact O-N 2.76Å; E340-V342 PolarHBondContact O-N 3.11Å; E340-E343 PolarHBondContact O-N 2.78Å; E340-M344 PolarHBondContact O-N 3.18Å; E340-M344 VanDerWaalsContact O-N 3.08Å
341	Q	51.5	Low	57.1	Low	80 Å²	80	94.5 Å²	94.5	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-33.4	175.9	-171	162.2	-18.7	0	0	111.4	F339	F339-Q341 VanDerWaalsContact C-N 3.31Å; F339-Q341 PolarHBondContact O-N 3.02Å
342	V	53.8	Low	55.2	Low	99 Å²	99	96.1 Å²	96.1	60%	0.6	49%	0.49	S	S	*	.	H	α-helix	trans	-79.4	-40.7	177.9	-177.9	0	0	0	0	111.5	F339 E340 M344 S346	F339-V342 PolarHBondContact O-N 3.31Å; E340-V342 PolarHBondContact O-N 3.11Å; V342-M344 PolarHBondContact O-N 3.3Å; V342-S346 WeakPolarHBondContact O-CB 3.37Å; V342-S346 PolarHBondContact O-N 3.01Å; V342-S346 VanDerWaalsContact O-N 3.11Å
343	E	53.8	Low	53.1	Low	122 Å²	122	100.3 Å²	100.3	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-62.9	-42.1	178.2	-109.2	174.4	163.9	0	0	111.8	F339 E340 S346 T347	F339-E343 PolarHBondContact O-N 3.4Å; E340-E343 PolarHBondContact O-N 2.78Å; E343-S346 PolarHBondContact O-N 3.36Å; E343-S346 PolarHBondContact O-OG 2.91Å; E343-T347 WeakPolarHBondContact O-CG2 3.32Å; E343-T347 PolarHBondContact O-N 2.96Å; E343-T347 PolarHBondContact O-OG1 3.46Å
344	M	50.9	Low	51.3	Low	75 Å²	75	105.9 Å²	105.9	37%	0.369	54%	0.54	S	S	.	.	H	α-helix	trans	-70.4	-40.8	-178.6	-165.3	161.5	64.9	0	0	113	E340 V342 S346 T347 L348	E340-M344 PolarHBondContact O-N 3.18Å; E340-M344 VanDerWaalsContact O-N 3.08Å; V342-M344 PolarHBondContact O-N 3.3Å; M344-S346 VanDerWaalsContact C-N 3.27Å; M344-S346 PolarHBondContact O-N 3.16Å; M344-T347 WeakPolarHBondContact CA-OG1 3.42Å; M344-T347 PolarHBondContact O-N 3.06Å; M344-T347 PolarHBondContact O-OG1 3.03Å; M344-L348 HydrophobicContact CG-CD1 4.29Å; M344-L348 PolarHBondContact O-N 3.08Å
345	E	53.1	Low	49.1	Very low	120 Å²	120	109.2 Å²	109.2	56%	0.561	56%	0.561	S	S	*	*	H	α-helix	trans	-62.1	-36	173.4	-76.3	178	-176.4	0	0	111.6	S349	E345-S349 PolarHBondContact O-N 2.68Å
346	S	44.6	Very low	46.9	Very low	58 Å²	58	113.6 Å²	113.6	41%	0.406	59%	0.585	S	S	.	*	H	α-helix	trans	-66.5	-42.8	174.7	81.8	0	0	0	0	112.6	V342 E343 M344 L348 S349 L350	V342-S346 WeakPolarHBondContact O-CB 3.37Å; V342-S346 PolarHBondContact O-N 3.01Å; V342-S346 VanDerWaalsContact O-N 3.11Å; E343-S346 PolarHBondContact O-N 3.36Å; E343-S346 PolarHBondContact O-OG 2.91Å; M344-S346 VanDerWaalsContact C-N 3.27Å; M344-S346 PolarHBondContact O-N 3.16Å; S346-L348 PolarHBondContact O-N 3.42Å; S346-S349 PolarHBondContact O-N 2.88Å; S346-S349 PolarHBondContact O-OG 3.24Å; S346-L350 PolarHBondContact O-N 3.2Å
347	T	47.6	Very low	44.9	Very low	87 Å²	87	115.8 Å²	115.8	53%	0.534	61%	0.614	S	S	.	*	H	α-helix	trans	-69	-31.1	179.1	57.7	0	0	0	0	113.6	E343 M344	E343-T347 WeakPolarHBondContact O-CG2 3.32Å; E343-T347 PolarHBondContact O-N 2.96Å; E343-T347 PolarHBondContact O-OG1 3.46Å; M344-T347 WeakPolarHBondContact CA-OG1 3.42Å; M344-T347 PolarHBondContact O-N 3.06Å; M344-T347 PolarHBondContact O-OG1 3.03Å
348	L	45.4	Very low	42.8	Very low	122 Å²	122	116.1 Å²	116.1	64%	0.639	63%	0.63	S	S	*	*	H	α-helix	trans	-73.9	-34.3	175	-84	158.1	0	0	0	112.3	M344 S346 R351	M344-L348 HydrophobicContact CG-CD1 4.29Å; M344-L348 PolarHBondContact O-N 3.08Å; S346-L348 PolarHBondContact O-N 3.42Å; L348-R351 PolarHBondContact O-N 2.62Å
349	S	39.9	Very low	41.4	Very low	85 Å²	85	115.7 Å²	115.7	59%	0.594	64%	0.641	S	S	*	*	H	α-helix	trans	-70	-29.3	175.1	73.2	0	0	0	0	113.6	E345 S346 R351	E345-S349 PolarHBondContact O-N 2.68Å; S346-S349 PolarHBondContact O-N 2.88Å; S346-S349 PolarHBondContact O-OG 3.24Å; S349-R351 VanDerWaalsContact C-N 3.3Å; S349-R351 PolarHBondContact O-N 3.19Å
350	L	42.2	Very low	39.9	Very low	150 Å²	150	114.2 Å²	114.2	79%	0.785	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-14.4	179.6	-131.3	87.1	0	0	0	113.6	S346	S346-L350 PolarHBondContact O-N 3.2Å
351	R	37.6	Very low	38.9	Very low	199 Å²	199	118.7 Å²	118.7	75%	0.751	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-0.5	-171.7	-142.5	178.8	-175.4	179.3	1.3	115	L348 S349	L348-R351 PolarHBondContact O-N 2.62Å; S349-R351 VanDerWaalsContact C-N 3.3Å; S349-R351 PolarHBondContact O-N 3.19Å
352	N	38.3	Very low	37.6	Very low	147 Å²	147	122.5 Å²	122.5	79%	0.786	70%	0.703	S	S	*	*			trans	-116.8	94.5	171.6	-80	-18.1	0	0	0	110.3
353	P	29.6	Very low	36.2	Very low	109 Å²	109	127.3 Å²	127.3	71%	0.708	72%	0.719	S	S	*	*				-142.2	160.5	115.1	32.4	-15.7	0	0	0	114.4
354	I	29	Very low	34.8	Very low	161 Å²	161	129.3 Å²	129.3	83%	0.826	73%	0.728	S	S	*	*			trans	99.4	73.8	172.5	-45	161.9	0	0	0	114.5
355	T	27.7	Very low	33.4	Very low	140 Å²	140	136.9 Å²	136.9	86%	0.859	75%	0.754	S	S	*	*			trans	-137	94.1	147.1	-37.1	0	0	0	0	108.6
356	M	27.5	Very low	32	Very low	184 Å²	184	137 Å²	137	91%	0.906	76%	0.759	S	S	*	*			trans	-143.9	116.2	162.4	-85.4	-99.9	104	0	0	109.6
357	A	27.1	Very low	31	Very low	99 Å²	99	142.7 Å²	142.7	82%	0.818	78%	0.776	S	S	*	*			trans	67.9	108.3	151.5	0	0	0	0	0	120.4
358	A	24.7	Very low	29.9	Very low	97 Å²	97	144.5 Å²	144.5	80%	0.802	79%	0.787	S	S	*	*			trans	-121	134.3	146.9	0	0	0	0	0	108.9
359	P	30.2	Very low	28.8	Very low	128 Å²	128	143.4 Å²	143.4	83%	0.831	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-91.7	154.8	163.6	7.4	12.2	0	0	0	112
360	S	25.2	Very low	28.1	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69	169.3	-173.4	41.4	0	0	0	0	115.8
361	P	36.7	Very low	27.1	Very low	116 Å²	116	145.7 Å²	145.7	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-95.5	145.6	-162.5	36.6	-30.8	0	0	0	113.3
362	N	23.7	Very low	26.4	Very low	161 Å²	161	145.5 Å²	145.5	86%	0.861	80%	0.799	S	S	*	*			trans	-175.8	114.9	153.4	-97.4	-24.4	0	0	0	109.8
363	Q	25.6	Very low	25.7	Very low	200 Å²	200	146 Å²	146	94%	0.935	80%	0.795	S	S	*	*				174.9	135.3	118.2	-101.3	176.5	-6	0	0	113.4
364	Q	23.2	Very low	25.4	Very low	164 Å²	164	146.1 Å²	146.1	77%	0.766	80%	0.798	S	S	*	*			trans	-71.6	135.5	175.5	-166.9	167.5	9	0	0	110.9
365	Y	23.3	Very low	25.1	Very low	234 Å²	234	144.2 Å²	144.2	92%	0.918	80%	0.799	S	S	*	*			trans	-149.2	126.2	144.2	-124.8	-87.4	0	0	0	112.1
366	N	23	Very low	25	Very low	123 Å²	123	141.8 Å²	141.8	66%	0.658	79%	0.793	S	S	*	*			trans	-75.5	156.1	175.7	-83.6	-45.7	0	0	0	111.6
367	K	24.4	Very low	25.8	Very low	177 Å²	177	138.6 Å²	138.6	77%	0.77	79%	0.786	S	S	*	*				131.3	116.9	109.3	-119.8	177	-171.6	179.7	0	114.7
368	T	23	Very low	25.6	Very low	124 Å²	124	145.6 Å²	145.6	76%	0.761	79%	0.791	S	S	*	*			trans	64.9	149.3	131.7	42.4	0	0	0	0	119.1
369	C	22.8	Very low	25.6	Very low	99 Å²	99	146.2 Å²	146.2	67%	0.669	79%	0.789	S	S	*	*			cis	-179.6	143.4	-0.6	176	0	0	0	0	104.5
370	C	24.3	Very low	25.3	Very low	127 Å²	127	144.8 Å²	144.8	86%	0.858	79%	0.789	S	S	*	*				177.8	136.9	121.5	-87.5	0	0	0	0	111.4
371	M	22.6	Very low	25.3	Very low	156 Å²	156	143.9 Å²	143.9	77%	0.768	79%	0.788	S	S	*	*			trans	-109.5	170.8	-169.7	-79.2	-108.8	-73.2	0	0	111.8
372	R	22.4	Very low	25.1	Very low	196 Å²	196	144.3 Å²	144.3	74%	0.74	79%	0.791	S	S	*	*			trans	96.4	141.8	146.8	-71	-168.6	168.3	176.1	-0.6	117.1
373	K	23.5	Very low	25	Very low	158 Å²	158	141.3 Å²	141.3	69%	0.687	79%	0.788	S	S	*	*			cis	-171.3	149	-11.1	-118.4	174.9	-175.5	-171.8	0	109.1
374	S	23.7	Very low	25	Very low	111 Å²	111	136 Å²	136	78%	0.776	78%	0.779	S	S	*	*			trans	12.1	140.3	140.2	-178.2	0	0	0	0	122.3
375	S	21.6	Very low	25.2	Very low	120 Å²	120	134.5 Å²	134.5	84%	0.839	78%	0.783	S	S	*	*				-155.9	146.8	127.1	63.3	0	0	0	0	113.6
376	A	25.7	Very low	25	Very low	90 Å²	90	129 Å²	129	74%	0.744	78%	0.778	S	S	*	*			trans	-146.6	-178.8	162.1	0	0	0	0	0	105.8
377	P	44.9	Very low	25	Very low	116 Å²	116	134 Å²	134	75%	0.753	79%	0.787	S	S	*	*			cis	-133.1	-176.2	-18.8	38	-19.8	0	0	0	113
378	R	23.2	Very low	24.8	Very low	247 Å²	247	132.2 Å²	132.2	93%	0.932	78%	0.782	S	S	*	*			trans	176.3	157.3	130.4	-98.3	174.4	-178	-174.9	1.2	115.7
379	S	23.8	Very low	24.8	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	79%	0.791	S	S	*	*			trans	-79.7	159.5	-166.9	52.5	0	0	0	0	118.8
380	A	24.1	Very low	24.8	Very low	99 Å²	99	140 Å²	140	82%	0.818	79%	0.792	S	S	*	*				155.3	141.2	109.6	0	0	0	0	0	113.7
381	A	25.5	Very low	24.7	Very low	95 Å²	95	140.3 Å²	140.3	79%	0.785	79%	0.785	S	S	*	*			trans	-81.8	179.8	169.5	0	0	0	0	0	110.9
382	P	31.8	Very low	24.8	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	79%	0.788	S	S	*	*				-155.4	-179.7	50.5	40.8	-17.2	0	0	0	119.1
383	A	22.6	Very low	24.8	Very low	98 Å²	98	138 Å²	138	81%	0.81	79%	0.789	S	S	*	*			trans	94.8	127	140.4	0	0	0	0	0	122.3
384	A	26.4	Very low	24.9	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	80%	0.797	S	S	*	*			trans	-79.9	174.5	164.3	0	0	0	0	0	112.1
385	P	25.7	Very low	24.8	Very low	133 Å²	133	144.2 Å²	144.2	86%	0.864	80%	0.802	S	S	*	*				-144.4	163.8	96.9	36.3	-19.6	0	0	0	116.5
386	C	20	Very low	25.5	Very low	118 Å²	118	143 Å²	143	80%	0.797	79%	0.791	S	S	*	*			trans	-79.5	158.9	173.5	-62.2	0	0	0	0	113.8
387	R	22	Very low	25.4	Very low	228 Å²	228	147.7 Å²	147.7	86%	0.86	80%	0.795	S	S	*	*				173	113.9	129.1	-97	175.8	174.6	178.4	-0.7	109.1
388	E	22.3	Very low	24.7	Very low	140 Å²	140	147.6 Å²	147.6	65%	0.654	79%	0.794	S	S	*	*				67.4	112.2	87	-86	-167	143.3	0	0	114.3	R390	E388-R390 IonicContact OE1-NH2 3.24Å; E388-R390 PolarHBondContact OE1-NH2 2.89Å
389	E	22.4	Very low	25	Very low	205 Å²	205	140.1 Å²	140.1	96%	0.958	79%	0.785	S	S	*	*				-155.9	158.2	118.5	-115.7	176.1	-166.7	0	0	111
390	R	22.1	Very low	25.1	Very low	182 Å²	182	140.9 Å²	140.9	69%	0.687	79%	0.788	S	S	*	*			trans	-131.3	163.9	-143.4	-133.4	-168.4	-105.5	-164.3	-1.4	110.7	E388	E388-R390 IonicContact OE1-NH2 3.24Å; E388-R390 PolarHBondContact OE1-NH2 2.89Å
391	D	23.1	Very low	25	Very low	132 Å²	132	142.2 Å²	142.2	71%	0.706	79%	0.786	S	S	*	*			trans	70.3	141.7	155.7	-52.4	-29.4	0	0	0	117.7
392	E	24.4	Very low	24.9	Very low	179 Å²	179	146 Å²	146	84%	0.836	79%	0.791	S	S	*	*			cis	-141.6	134.7	30.7	-77.1	175.6	153.4	0	0	113.4
393	V	23.1	Very low	24.3	Very low	125 Å²	125	146.9 Å²	146.9	76%	0.758	79%	0.789	S	S	*	*				65.4	114.2	92.8	-172.2	0	0	0	0	115.6
394	I	24.2	Very low	24.2	Very low	165 Å²	165	146.5 Å²	146.5	85%	0.846	78%	0.779	S	S	*	*				-179.8	127.8	118	-79	155.1	0	0	0	109.5
395	R	22.2	Very low	24	Very low	235 Å²	235	150.7 Å²	150.7	89%	0.887	78%	0.784	S	S	*	*			trans	-145.2	169.9	162.8	-98.6	-164.2	-170.4	-174.4	4.1	104.8
396	P	36.2	Very low	23.9	Very low	93 Å²	93	150.3 Å²	150.3	60%	0.604	78%	0.784	S	S	*	*			cis	-139.9	-166.2	-42.3	33.4	-11.4	0	0	0	112.5
397	F	23.3	Very low	24.2	Very low	189 Å²	189	154 Å²	154	83%	0.829	79%	0.787	S	S	*	*			trans	91.2	160.9	159.5	-70.5	-65.6	0	0	0	120.1
398	P	30.8	Very low	24.2	Very low	114 Å²	114	148.5 Å²	148.5	74%	0.74	78%	0.783	S	S	*	*			cis	-136	176.6	-23.2	28.2	-5.9	0	0	0	114.7
399	A	29.3	Very low	24.3	Very low	90 Å²	90	149.1 Å²	149.1	74%	0.744	79%	0.79	S	S	*	*			trans	-68	172.1	168.3	0	0	0	0	0	113.7
400	P	25.4	Very low	24.2	Very low	126 Å²	126	149.2 Å²	149.2	82%	0.818	79%	0.788	S	S	*	*				-132.3	141.9	128.3	31.8	-17.2	0	0	0	114.9
401	T	21.5	Very low	24.4	Very low	126 Å²	126	146.3 Å²	146.3	77%	0.773	79%	0.79	S	S	*	*			trans	-54.4	153.9	161.9	42.3	0	0	0	0	114.7
402	I	23.2	Very low	24.5	Very low	175 Å²	175	147.1 Å²	147.1	90%	0.897	79%	0.793	S	S	*	*				-168.5	152.2	117.3	-89.3	153.7	0	0	0	109.8
403	D	20.3	Very low	24.5	Very low	143 Å²	143	142.1 Å²	142.1	77%	0.765	79%	0.79	S	S	*	*			trans	-99.1	167.2	-155.9	-147.7	-11.4	0	0	0	114.2
404	C	20.2	Very low	24.5	Very low	90 Å²	90	144.3 Å²	144.3	61%	0.608	79%	0.792	S	S	*	*			trans	78	119.9	150.3	-103.1	0	0	0	0	124.6
405	Q	22.7	Very low	24.6	Very low	176 Å²	176	146 Å²	146	82%	0.822	80%	0.796	S	S	*	*			trans	67.8	113.9	135.9	-69.1	178.3	13.6	0	0	120.9
406	S	23.4	Very low	24.8	Very low	126 Å²	126	142.3 Å²	142.3	88%	0.881	79%	0.793	S	S	*	*				172.5	165.5	108.7	60.8	0	0	0	0	111.9
407	K	25	Very low	24.3	Very low	195 Å²	195	141.5 Å²	141.5	85%	0.848	80%	0.802	S	S	*	*			trans	-70.1	157.8	-167.2	-69.5	165.2	170.2	172.9	0	114.5
408	S	24	Very low	24.4	Very low	113 Å²	113	141 Å²	141	79%	0.79	80%	0.803	S	S	*	*			trans	89.2	146.4	139.9	73.8	0	0	0	0	120.8
409	L	22.9	Very low	24.1	Very low	152 Å²	152	143.8 Å²	143.8	80%	0.796	81%	0.808	S	S	*	*			trans	98.8	95.2	161	-127.4	75	0	0	0	117.4
410	F	21.8	Very low	23.9	Very low	207 Å²	207	148.8 Å²	148.8	91%	0.908	81%	0.813	S	S	*	*			trans	-72	119.3	163.6	-132.7	-101.5	0	0	0	108.1
411	V	24.3	Very low	24	Very low	122 Å²	122	152.4 Å²	152.4	74%	0.739	81%	0.811	S	S	*	*			trans	-112.4	121.3	172.1	174	0	0	0	0	107.7
412	I	25.7	Very low	24.1	Very low	149 Å²	149	153.9 Å²	153.9	76%	0.764	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.3	125.8	171.9	-67.5	169.6	0	0	0	107.1
413	G	24.4	Very low	24.3	Very low	74 Å²	74	152.5 Å²	152.5	76%	0.763	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-94.5	122.7	169.3	0	0	0	0	0	110
414	E	24.3	Very low	24.7	Very low	171 Å²	171	151.1 Å²	151.1	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.1	134.7	169.1	-68.6	171.1	151.5	0	0	110
415	E	26.4	Very low	25.2	Very low	201 Å²	201	154.7 Å²	154.7	94%	0.939	81%	0.814	S	S	*	*			trans	-131.4	115.4	151.5	-81.7	-169.2	166.3	0	0	108.2
416	D	25.6	Very low	25.9	Very low	156 Å²	156	151.3 Å²	151.3	83%	0.834	81%	0.807	S	S	*	*			trans	-70.2	133.3	-178.4	-73.1	-49.8	0	0	0	112.7
417	G	26.4	Very low	26.4	Very low	77 Å²	77	149.4 Å²	149.4	79%	0.794	79%	0.794	S	S	*	*			trans	-147.1	85.8	166.8	0	0	0	0	0	109.6	M419	G417-M419 PolarHBondContact O-N 3.39Å
418	E	24.7	Very low	27.4	Very low	179 Å²	179	147.7 Å²	147.7	84%	0.836	79%	0.793	S	S	*	*			trans	-57	121.6	179.8	-71.2	-175.3	141.3	0	0	112.6
419	M	24.8	Very low	28.2	Very low	171 Å²	171	150.7 Å²	150.7	84%	0.842	80%	0.799	S	S	*	*			trans	-126.5	109.7	151.1	-111.8	-163.2	-90.5	0	0	108.4	G417 Y421	G417-M419 PolarHBondContact O-N 3.39Å; M419-Y421 PolarHBondContact O-N 2.96Å
420	K	25.2	Very low	29.9	Very low	196 Å²	196	149.7 Å²	149.7	85%	0.852	79%	0.79	S	S	*	*			trans	-59.3	116.3	179.7	-76.4	176.6	175.7	176	0	111.2
421	Y	27.7	Very low	32.1	Very low	201 Å²	201	147 Å²	147	79%	0.788	79%	0.785	S	S	*	*			trans	-111.1	137.5	155.2	-83.1	-86	0	0	0	108.8	M419 N423	M419-Y421 PolarHBondContact O-N 2.96Å; Y421-N423 PolarHBondContact O-N 3.38Å; Y421-N423 VanDerWaalsContact O-N 3.12Å
422	D	23.7	Very low	34.5	Very low	157 Å²	157	145.2 Å²	145.2	84%	0.84	78%	0.776	S	S	*	*			trans	-64.2	104	-177.3	-150.4	0.9	0	0	0	109.8	T424	D422-T424 PolarHBondContact O-N 3.25Å
423	N	26.6	Very low	37.6	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	75%	0.75	S	S	*	*			trans	-79.9	92.6	176.9	-83.2	-20.2	0	0	0	109.3	Y421	Y421-N423 PolarHBondContact O-N 3.38Å; Y421-N423 VanDerWaalsContact O-N 3.12Å
424	T	29.3	Very low	40.6	Very low	114 Å²	114	139.3 Å²	139.3	70%	0.699	74%	0.736	S	S	*	*			trans	-100.6	92.3	152.6	-20.2	0	0	0	0	107.6	D422	D422-T424 PolarHBondContact O-N 3.25Å
425	E	29.8	Very low	43.7	Very low	165 Å²	165	133.7 Å²	133.7	77%	0.771	71%	0.711	S	S	*	*			trans	-60	130.8	166.9	-72.9	-175.3	150.8	0	0	109.4	S427	E425-S427 PolarHBondContact O-N 3.41Å
426	P	38.2	Very low	46.6	Very low	105 Å²	105	130.6 Å²	130.6	68%	0.682	70%	0.701	S	S	*	*			trans	-74	122.3	166.4	-3.4	19.7	0	0	0	108.7	L428	P426-L428 PolarHBondContact O-N 3Å
427	S	34.5	Very low	49.7	Very low	85 Å²	85	127.9 Å²	127.9	59%	0.594	68%	0.683	S	S	*	*			trans	-36	120.5	177.6	52.8	0	0	0	0	115	E425	E425-S427 PolarHBondContact O-N 3.41Å
428	L	44.2	Very low	52.7	Low	159 Å²	159	124.2 Å²	124.2	83%	0.832	65%	0.645	S	S	*	*	S	Bend	trans	-58.2	135.3	160.6	-77.8	143.3	0	0	0	110.7	P426	P426-L428 PolarHBondContact O-N 3Å
429	L	42.7	Very low	55.7	Low	176 Å²	176	116.9 Å²	116.9	92%	0.921	61%	0.613	S	S	*	*			trans	74.8	69.5	170.7	-60.8	155.4	0	0	0	116.9
430	Q	57.6	Low	58.7	Low	131 Å²	131	112 Å²	112	61%	0.612	60%	0.596	S	S	*	*			trans	-105.1	130.9	153	-76.6	-177.9	-10.6	0	0	109.4
431	N	67.4	Low	61.7	Low	150 Å²	150	103 Å²	103	80%	0.802	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-59.4	141	168.3	-71.5	-35.2	0	0	0	108.7	R433	N431-R433 PolarHBondContact O-N 3.34Å
432	P	76.2	Confident	64.5	Low	85 Å²	85	95.4 Å²	95.4	55%	0.552	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-57.6	127.4	-177.5	16.6	-24.6	0	0	0	110.5	E456	P432-E456 HydrophobicContact CB-CG 4.14Å
433	R	89.5	Confident	67.4	Low	54 Å²	54	93.3 Å²	93.3	20%	0.204	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-63.8	163.7	177.2	-73.8	166.3	-72.7	-164.9	-1.1	111.2	N431 E437 H451 E456	N431-R433 PolarHBondContact O-N 3.34Å; R433-E437 HydrophobicContact CB-CB 4.4Å; R433-E437 HydrophobicContact CB-CG 4.45Å; R433-E437 VanDerWaalsContact CD-OE1 3.26Å; R433-E437 WeakPolarHBondContact CD-OE1 3.16Å; R433-H451 PolarHBondContact NH2-O 3.35Å; R433-E456 WeakPolarHBondContact CB-OE1 3.44Å; R433-E456 IonicContact CZ-OE1 2.75Å; R433-E456 IonicContact CZ-OE2 2.65Å; R433-E456 PolarHBondContact N-OE1 3.46Å; R433-E456 IonicContact NE-OE1 3.6Å; R433-E456 PolarHBondContact NE-OE1 3.16Å; R433-E456 IonicContact NE-OE2 2.68Å; R433-E456 IonicContact NH2-OE1 3.68Å; R433-E456 PolarHBondContact NH2-OE1 2.79Å; R433-E456 IonicContact NH2-OE2 3.53Å; R433-E456 PolarHBondContact NH2-OE2 2.96Å
434	G	87.6	Confident	70.3	Confident	45 Å²	45	88.7 Å²	88.7	46%	0.464	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-62.6	155.8	174.9	0	0	0	0	0	112.2	D436 E437 C438	G434-D436 VanDerWaalsContact C-N 3.34Å; G434-D436 PolarHBondContact O-N 2.64Å; G434-E437 PolarHBondContact O-N 3.05Å; G434-C438 PolarHBondContact O-N 3.32Å; G434-C438 PolarHBondContact O-SG 3.42Å
435	L	89.4	Confident	72.5	Confident	53 Å²	53	89.5 Å²	89.5	28%	0.277	50%	0.499	S	S	.	.	H	α-helix	trans	-56.7	-46.2	-178.4	179.8	64.7	0	0	0	112.1	E437 C438 V439 L459 L460	L435-E437 VanDerWaalsContact C-N 3.31Å; L435-E437 PolarHBondContact O-N 3.2Å; L435-C438 WeakPolarHBondContact O-CB 3.35Å; L435-C438 PolarHBondContact O-N 2.88Å; L435-V439 HydrophobicContact CD1-CG2 4.37Å; L435-V439 HydrophobicContact CG-CG2 4.48Å; L435-V439 WeakPolarHBondContact O-CG2 3.43Å; L435-V439 PolarHBondContact O-N 3.29Å; L435-L459 HydrophobicContact CB-CD2 4.46Å; L435-L459 HydrophobicContact CD1-CD2 4.35Å; L435-L459 HydrophobicContact CD1-CG 4.13Å; L435-L460 HydrophobicContact CD1-CD2 3.94Å
436	D	88.1	Confident	74.7	Confident	136 Å²	136	89.9 Å²	89.9	73%	0.727	50%	0.501	S	S	*	.	H	α-helix	trans	-64.2	-37.1	-177	-61.7	-37	0	0	0	112.2	G434 V439 S440	G434-D436 VanDerWaalsContact C-N 3.34Å; G434-D436 PolarHBondContact O-N 2.64Å; D436-V439 PolarHBondContact O-N 3.25Å; D436-S440 WeakPolarHBondContact O-CB 3.48Å; D436-S440 PolarHBondContact O-N 2.98Å
437	E	89.5	Confident	76.4	Confident	99 Å²	99	88.9 Å²	88.9	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-67.7	-44.9	175.4	-168.7	-178.9	171.5	0	0	110.7	R433 G434 L435 V439 S440 I441	R433-E437 HydrophobicContact CB-CB 4.4Å; R433-E437 HydrophobicContact CB-CG 4.45Å; R433-E437 VanDerWaalsContact CD-OE1 3.26Å; R433-E437 WeakPolarHBondContact CD-OE1 3.16Å; G434-E437 PolarHBondContact O-N 3.05Å; L435-E437 VanDerWaalsContact C-N 3.31Å; L435-E437 PolarHBondContact O-N 3.2Å; E437-V439 VanDerWaalsContact C-N 3.31Å; E437-V439 PolarHBondContact O-N 3.26Å; E437-S440 PolarHBondContact O-N 3.41Å; E437-S440 VanDerWaalsContact O-N 3.11Å; E437-S440 PolarHBondContact O-OG 3.41Å; E437-I441 HydrophobicContact CG-CD1 4.07Å; E437-I441 WeakPolarHBondContact O-CG1 3.41Å; E437-I441 PolarHBondContact O-N 2.56Å
438	C	89.3	Confident	78.5	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	47%	0.466	C	S	.	.	H	α-helix	trans	-60.1	-40.7	175.6	-64.3	0	0	0	0	112.1	G434 L435 I441 F442 L452 L460	G434-C438 PolarHBondContact O-N 3.32Å; G434-C438 PolarHBondContact O-SG 3.42Å; L435-C438 WeakPolarHBondContact O-CB 3.35Å; L435-C438 PolarHBondContact O-N 2.88Å; C438-I441 PolarHBondContact O-N 3.24Å; C438-F442 VanDerWaalsContact O-CB 3.28Å; C438-F442 WeakPolarHBondContact O-CB 3.47Å; C438-F442 PolarHBondContact O-N 3.35Å; C438-L452 HydrophobicContact CB-CD2 4.24Å; C438-L460 HydrophobicContact CB-CD1 4.24Å; C438-L460 HydrophobicContact CB-CD2 4Å; C438-L460 HydrophobicContact CB-CG 4.16Å
439	V	88.9	Confident	80.3	Confident	26 Å²	26	79.2 Å²	79.2	16%	0.158	43%	0.434	C	S	.	.	H	α-helix	trans	-65.2	-40.1	175.4	172.5	0	0	0	0	110.8	L435 D436 E437 F442 N443 L460	L435-V439 HydrophobicContact CD1-CG2 4.37Å; L435-V439 HydrophobicContact CG-CG2 4.48Å; L435-V439 WeakPolarHBondContact O-CG2 3.43Å; L435-V439 PolarHBondContact O-N 3.29Å; D436-V439 PolarHBondContact O-N 3.25Å; E437-V439 VanDerWaalsContact C-N 3.31Å; E437-V439 PolarHBondContact O-N 3.26Å; V439-F442 PolarHBondContact O-N 3.44Å; V439-N443 WeakPolarHBondContact CG1-ND2 3.49Å; V439-N443 WeakPolarHBondContact O-CB 3.32Å; V439-N443 PolarHBondContact O-N 3.17Å; V439-N443 PolarHBondContact O-ND2 3.04Å; V439-L460 HydrophobicContact CB-CD2 4.46Å; V439-L460 HydrophobicContact CG2-CD2 3.47Å; V439-L460 VanDerWaalsContact CG2-CD2 3.47Å
440	S	87.3	Confident	82.3	Confident	69 Å²	69	77.3 Å²	77.3	48%	0.483	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-41.8	178.1	77.4	0	0	0	0	112.3	D436 E437 N444	D436-S440 WeakPolarHBondContact O-CB 3.48Å; D436-S440 PolarHBondContact O-N 2.98Å; E437-S440 PolarHBondContact O-N 3.41Å; E437-S440 VanDerWaalsContact O-N 3.11Å; E437-S440 PolarHBondContact O-OG 3.41Å; S440-N444 WeakPolarHBondContact O-CB 3.48Å; S440-N444 PolarHBondContact O-N 3.46Å; S440-N444 VanDerWaalsContact O-N 3.12Å
441	I	87.8	Confident	83.7	Confident	7 Å²	7	76 Å²	76	4%	0.036	41%	0.409	C	S	.	.	H	α-helix	trans	-68	-44.7	177	-65.8	160.7	0	0	0	110.3	E437 C438 N443 N444 Q447 G448 H451 L452	E437-I441 HydrophobicContact CG-CD1 4.07Å; E437-I441 WeakPolarHBondContact O-CG1 3.41Å; E437-I441 PolarHBondContact O-N 2.56Å; C438-I441 PolarHBondContact O-N 3.24Å; I441-N443 VanDerWaalsContact C-N 3.32Å; I441-N443 PolarHBondContact O-N 3.4Å; I441-N444 WeakPolarHBondContact O-CB 3.46Å; I441-N444 PolarHBondContact O-N 2.9Å; I441-N444 VanDerWaalsContact O-N 3.14Å; I441-Q447 HydrophobicContact CG2-CB 4.05Å; I441-G448 PolarHBondContact O-N 2.85Å; I441-H451 HydrophobicContact CG2-CB 4.13Å; I441-L452 HydrophobicContact CB-CD2 4.03Å; I441-L452 HydrophobicContact CD1-CD2 4.3Å; I441-L452 HydrophobicContact CG2-CD2 3.79Å; I441-L452 HydrophobicContact CG2-CG 4.12Å
442	F	86.4	Confident	84.7	Confident	41 Å²	41	69.1 Å²	69.1	18%	0.18	37%	0.372	C	S	.	.	H	α-helix	trans	-60.4	-40.6	179	-178.6	-105.1	0	0	0	112.7	C438 V439 N444 P449 L452 L460 I466 L474	C438-F442 VanDerWaalsContact O-CB 3.28Å; C438-F442 WeakPolarHBondContact O-CB 3.47Å; C438-F442 PolarHBondContact O-N 3.35Å; V439-F442 PolarHBondContact O-N 3.44Å; F442-N444 VanDerWaalsContact C-N 3.32Å; F442-P449 HydrophobicContact CD2-CB 4.49Å; F442-L452 HydrophobicContact CB-CD1 4.1Å; F442-L452 HydrophobicContact CD2-CD1 4.25Å; F442-L460 HydrophobicContact CB-CD1 4.13Å; F442-L460 HydrophobicContact CG-CD1 4.34Å; F442-I466 HydrophobicContact CD2-CD1 3.89Å; F442-I466 HydrophobicContact CE1-CD1 4.32Å; F442-I466 HydrophobicContact CE1-CG1 4.06Å; F442-I466 HydrophobicContact CE2-CD1 3.56Å; F442-I466 HydrophobicContact CE2-CG1 4.13Å; F442-I466 HydrophobicContact CG-CD1 4.4Å; F442-I466 HydrophobicContact CZ-CD1 3.81Å; F442-I466 HydrophobicContact CZ-CG1 3.83Å; F442-L474 HydrophobicContact CZ-CD1 4.21Å; F442-L474 HydrophobicContact CZ-CD2 4.36Å
443	N	85.8	Confident	85.4	Confident	113 Å²	113	67.2 Å²	67.2	60%	0.604	36%	0.361	S	S	*	.	H	α-helix	trans	-81.3	-10.7	179	-69.8	-33.9	0	0	0	113.4	V439 I441 P445	V439-N443 WeakPolarHBondContact CG1-ND2 3.49Å; V439-N443 WeakPolarHBondContact O-CB 3.32Å; V439-N443 PolarHBondContact O-N 3.17Å; V439-N443 PolarHBondContact O-ND2 3.04Å; I441-N443 VanDerWaalsContact C-N 3.32Å; I441-N443 PolarHBondContact O-N 3.4Å; N443-P445 WeakPolarHBondContact O-CD 3.48Å
444	N	86.7	Confident	85.6	Confident	50 Å²	50	67 Å²	67	27%	0.267	36%	0.364	S	S	.	.			trans	-79.6	116.7	178.8	-174.3	-15.2	0	0	0	109.8	S440 I441 F442 E446 Q447 G448	S440-N444 WeakPolarHBondContact O-CB 3.48Å; S440-N444 PolarHBondContact O-N 3.46Å; S440-N444 VanDerWaalsContact O-N 3.12Å; I441-N444 WeakPolarHBondContact O-CB 3.46Å; I441-N444 PolarHBondContact O-N 2.9Å; I441-N444 VanDerWaalsContact O-N 3.14Å; F442-N444 VanDerWaalsContact C-N 3.32Å; N444-E446 PolarHBondContact O-N 3.46Å; N444-E446 VanDerWaalsContact O-N 3.15Å; N444-E446 PolarHBondContact OD1-N 3.29Å; N444-Q447 HydrophobicContact CB-CB 4.23Å; N444-Q447 PolarHBondContact O-N 2.8Å; N444-G448 PolarHBondContact O-N 2.88Å
445	P	76.2	Confident	85.7	Confident	130 Å²	130	67.1 Å²	67.1	84%	0.844	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.4	-178.5	25	-33.5	0	0	0	114.1	N443	N443-P445 WeakPolarHBondContact O-CD 3.48Å
446	E	75.1	Confident	85.9	Confident	173 Å²	173	64.8 Å²	64.8	81%	0.808	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-23.3	178.3	-62.9	-173.9	170.4	0	0	113.6	N444	N444-E446 PolarHBondContact O-N 3.46Å; N444-E446 VanDerWaalsContact O-N 3.15Å; N444-E446 PolarHBondContact OD1-N 3.29Å
447	Q	73.8	Confident	86.1	Confident	85 Å²	85	58.3 Å²	58.3	40%	0.397	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-35.3	-175.2	-64.2	177.8	-11.3	0	0	112.6	I441 N444 H451	I441-Q447 HydrophobicContact CG2-CB 4.05Å; N444-Q447 HydrophobicContact CB-CB 4.23Å; N444-Q447 PolarHBondContact O-N 2.8Å; Q447-H451 PolarHBondContact O-CD2 3.29Å
448	G	79.9	Confident	86.2	Confident	14 Å²	14	55.8 Å²	55.8	14%	0.144	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	-166.8	169.7	0	0	0	0	0	117.1	I441 N444 Y450	I441-G448 PolarHBondContact O-N 2.85Å; N444-G448 PolarHBondContact O-N 2.88Å; G448-Y450 VanDerWaalsContact C-N 3.33Å; G448-Y450 PolarHBondContact O-N 3.02Å
449	P	80.3	Confident	86.3	Confident	26 Å²	26	58.9 Å²	58.9	17%	0.169	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-77.3	-14.6	-177.5	14.8	-10	0	0	0	114.7	F442 H451 L452 L474 M475 R480	F442-P449 HydrophobicContact CD2-CB 4.49Å; P449-H451 PolarHBondContact O-N 3.37Å; P449-L452 PolarHBondContact O-N 3.31Å; P449-L474 WeakPolarHBondContact CG-O 3.28Å; P449-M475 HydrophobicContact CB-CE 3.58Å; P449-M475 HydrophobicContact CB-SD 4.11Å; P449-M475 HydrophobicContact CG-CE 4.28Å; P449-R480 PolarHBondContact O-NH1 2.93Å
450	Y	85.4	Confident	86.4	Confident	137 Å²	137	57.7 Å²	57.7	54%	0.537	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-63.7	-31.2	177.2	179.4	-105.2	0	0	0	112.4	G448 L452 E476	G448-Y450 VanDerWaalsContact C-N 3.33Å; G448-Y450 PolarHBondContact O-N 3.02Å; Y450-L452 VanDerWaalsContact C-N 3.34Å; Y450-E476 HydrophobicContact CD2-CG 4.08Å
451	H	86.7	Confident	86.7	Confident	102 Å²	102	55 Å²	55	47%	0.472	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-87.3	0.6	-178.7	-73.1	-99.4	0	0	0	114.1	R433 I441 Q447 P449	R433-H451 PolarHBondContact NH2-O 3.35Å; I441-H451 HydrophobicContact CG2-CB 4.13Å; Q447-H451 PolarHBondContact O-CD2 3.29Å; P449-H451 PolarHBondContact O-N 3.37Å
452	L	89.3	Confident	86.8	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	32%	0.321	C	S	.	.	S	Bend	trans	-97.6	143.4	176	-62.5	175.2	0	0	0	110.2	C438 I441 F442 P449 Y450 E456 V457 L460 R480	C438-L452 HydrophobicContact CB-CD2 4.24Å; I441-L452 HydrophobicContact CB-CD2 4.03Å; I441-L452 HydrophobicContact CD1-CD2 4.3Å; I441-L452 HydrophobicContact CG2-CD2 3.79Å; I441-L452 HydrophobicContact CG2-CG 4.12Å; F442-L452 HydrophobicContact CB-CD1 4.1Å; F442-L452 HydrophobicContact CD2-CD1 4.25Å; P449-L452 PolarHBondContact O-N 3.31Å; Y450-L452 VanDerWaalsContact C-N 3.34Å; L452-E456 HydrophobicContact CB-CB 4.47Å; L452-E456 HydrophobicContact CD2-CB 4.49Å; L452-V457 HydrophobicContact CB-CG2 3.81Å; L452-V457 HydrophobicContact CD1-CG2 4.26Å; L452-L460 HydrophobicContact CD1-CD1 3.65Å; L452-R480 PolarHBondContact O-NH2 3.02Å
453	S	91.4	Very high	87.1	Confident	46 Å²	46	59.9 Å²	59.9	32%	0.322	33%	0.328	S	S	.	.			trans	-77	160.3	169.1	66.1	0	0	0	0	111.3	A455 E456 V457	S453-A455 PolarHBondContact O-N 3.22Å; S453-E456 PolarHBondContact N-OE2 2.99Å; S453-E456 PolarHBondContact O-N 3.39Å; S453-E456 VanDerWaalsContact O-N 3.09Å; S453-E456 WeakPolarHBondContact OG-CG 3.14Å; S453-E456 PolarHBondContact OG-N 3.4Å; S453-E456 PolarHBondContact OG-OE2 3.17Å; S453-V457 WeakPolarHBondContact O-CG2 3.48Å; S453-V457 PolarHBondContact O-N 3.37Å
454	D	92.4	Very high	87.4	Confident	48 Å²	48	63.5 Å²	63.5	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-37.1	177.9	-72.1	3.1	0	0	0	112.2	E456 V457 M458 R480 I484 Q487	D454-E456 VanDerWaalsContact C-N 3.35Å; D454-E456 PolarHBondContact O-N 2.83Å; D454-V457 PolarHBondContact O-N 3.42Å; D454-M458 WeakPolarHBondContact O-CB 3.43Å; D454-M458 VanDerWaalsContact O-CG 3.28Å; D454-M458 WeakPolarHBondContact O-CG 3.16Å; D454-M458 PolarHBondContact O-N 3.28Å; D454-R480 IonicContact OD1-CZ 3.62Å; D454-R480 IonicContact OD1-NE 2.8Å; D454-R480 PolarHBondContact OD1-NE 2.78Å; D454-R480 IonicContact OD1-NH2 3.49Å; D454-R480 PolarHBondContact OD1-NH2 2.92Å; D454-I484 HydrophobicContact CB-CG1 4.24Å; D454-Q487 PolarHBondContact OD2-NE2 3.29Å
455	A	90.8	Very high	87.5	Confident	49 Å²	49	65.8 Å²	65.8	41%	0.405	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-40.4	175.5	0	0	0	0	0	112.5	S453 M458 L459	S453-A455 PolarHBondContact O-N 3.22Å; A455-M458 HydrophobicContact CB-CE 4.47Å; A455-M458 PolarHBondContact O-N 3.32Å; A455-L459 PolarHBondContact O-N 2.91Å
456	E	92.4	Very high	88.1	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-71.3	-38.7	178	-69.7	164.4	155.2	0	0	111.8	P432 R433 L452 S453 D454 M458 L459 L460	P432-E456 HydrophobicContact CB-CG 4.14Å; R433-E456 WeakPolarHBondContact CB-OE1 3.44Å; R433-E456 IonicContact CZ-OE1 2.75Å; R433-E456 IonicContact CZ-OE2 2.65Å; R433-E456 PolarHBondContact N-OE1 3.46Å; R433-E456 IonicContact NE-OE1 3.6Å; R433-E456 PolarHBondContact NE-OE1 3.16Å; R433-E456 IonicContact NE-OE2 2.68Å; R433-E456 IonicContact NH2-OE1 3.68Å; R433-E456 PolarHBondContact NH2-OE1 2.79Å; R433-E456 IonicContact NH2-OE2 3.53Å; R433-E456 PolarHBondContact NH2-OE2 2.96Å; L452-E456 HydrophobicContact CB-CB 4.47Å; L452-E456 HydrophobicContact CD2-CB 4.49Å; S453-E456 PolarHBondContact N-OE2 2.99Å; S453-E456 PolarHBondContact O-N 3.39Å; S453-E456 VanDerWaalsContact O-N 3.09Å; S453-E456 WeakPolarHBondContact OG-CG 3.14Å; S453-E456 PolarHBondContact OG-N 3.4Å; S453-E456 PolarHBondContact OG-OE2 3.17Å; D454-E456 VanDerWaalsContact C-N 3.35Å; D454-E456 PolarHBondContact O-N 2.83Å; E456-M458 VanDerWaalsContact C-N 3.34Å; E456-L459 WeakPolarHBondContact O-CB 3.45Å; E456-L459 PolarHBondContact O-N 3.37Å; E456-L460 WeakPolarHBondContact O-CG 3.49Å; E456-L460 PolarHBondContact O-N 3.21Å
457	V	91.9	Very high	88.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-42.4	173.4	179.8	0	0	0	0	110.4	L452 S453 D454 L459 L460 V461 I466 L471 M475 I484	L452-V457 HydrophobicContact CB-CG2 3.81Å; L452-V457 HydrophobicContact CD1-CG2 4.26Å; S453-V457 WeakPolarHBondContact O-CG2 3.48Å; S453-V457 PolarHBondContact O-N 3.37Å; D454-V457 PolarHBondContact O-N 3.42Å; V457-L459 VanDerWaalsContact C-N 3.28Å; V457-L459 PolarHBondContact O-N 3.19Å; V457-L460 PolarHBondContact O-N 2.81Å; V457-V461 WeakPolarHBondContact O-CG2 3.2Å; V457-V461 PolarHBondContact O-N 3.2Å; V457-I466 HydrophobicContact CG1-CD1 4.45Å; V457-L471 HydrophobicContact CG1-CD2 3.96Å; V457-M475 HydrophobicContact CG1-CE 4Å; V457-M475 HydrophobicContact CG1-SD 3.99Å; V457-M475 HydrophobicContact CG2-SD 4.2Å; V457-I484 HydrophobicContact CB-CD1 3.95Å; V457-I484 HydrophobicContact CG1-CD1 3.79Å; V457-I484 HydrophobicContact CG1-CG2 4.26Å; V457-I484 HydrophobicContact CG2-CD1 4.3Å
458	M	91.8	Very high	89.5	Confident	46 Å²	46	51.9 Å²	51.9	23%	0.227	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-37.6	174	-72.7	-169.6	-69.9	0	0	112.6	D454 A455 E456 V461 T462 I484 Q487 M488	D454-M458 WeakPolarHBondContact O-CB 3.43Å; D454-M458 VanDerWaalsContact O-CG 3.28Å; D454-M458 WeakPolarHBondContact O-CG 3.16Å; D454-M458 PolarHBondContact O-N 3.28Å; A455-M458 HydrophobicContact CB-CE 4.47Å; A455-M458 PolarHBondContact O-N 3.32Å; E456-M458 VanDerWaalsContact C-N 3.34Å; M458-V461 PolarHBondContact O-N 3.22Å; M458-T462 WeakPolarHBondContact O-CB 3.43Å; M458-T462 PolarHBondContact O-N 3.27Å; M458-T462 PolarHBondContact O-OG1 3.45Å; M458-I484 HydrophobicContact CG-CG2 3.83Å; M458-Q487 HydrophobicContact SD-CB 3.91Å; M458-M488 HydrophobicContact CB-CG 4.33Å; M458-M488 HydrophobicContact CG-CG 3.58Å; M458-M488 HydrophobicContact CG-SD 4.19Å; M458-M488 HydrophobicContact SD-CG 3.75Å
459	L	92.1	Very high	89.9	Confident	66 Å²	66	57.7 Å²	57.7	35%	0.346	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-46.8	173.6	-179.2	65	0	0	0	111.2	L435 A455 E456 V457 V461 T462 S463	L435-L459 HydrophobicContact CB-CD2 4.46Å; L435-L459 HydrophobicContact CD1-CD2 4.35Å; L435-L459 HydrophobicContact CD1-CG 4.13Å; A455-L459 PolarHBondContact O-N 2.91Å; E456-L459 WeakPolarHBondContact O-CB 3.45Å; E456-L459 PolarHBondContact O-N 3.37Å; V457-L459 VanDerWaalsContact C-N 3.28Å; V457-L459 PolarHBondContact O-N 3.19Å; L459-V461 VanDerWaalsContact C-N 3.31Å; L459-V461 PolarHBondContact O-N 3.49Å; L459-T462 PolarHBondContact O-N 3.39Å; L459-S463 WeakPolarHBondContact O-CB 3.36Å; L459-S463 PolarHBondContact O-N 2.98Å; L459-S463 PolarHBondContact O-OG 3.38Å; L459-S463 VanDerWaalsContact O-OG 3.14Å
460	L	91.6	Very high	90.4	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-36.7	177.3	-70.6	173.3	0	0	0	113	L435 C438 V439 F442 L452 E456 V457 K464 H465 I466	L435-L460 HydrophobicContact CD1-CD2 3.94Å; C438-L460 HydrophobicContact CB-CD1 4.24Å; C438-L460 HydrophobicContact CB-CD2 4Å; C438-L460 HydrophobicContact CB-CG 4.16Å; V439-L460 HydrophobicContact CB-CD2 4.46Å; V439-L460 HydrophobicContact CG2-CD2 3.47Å; V439-L460 VanDerWaalsContact CG2-CD2 3.47Å; F442-L460 HydrophobicContact CB-CD1 4.13Å; F442-L460 HydrophobicContact CG-CD1 4.34Å; L452-L460 HydrophobicContact CD1-CD1 3.65Å; E456-L460 WeakPolarHBondContact O-CG 3.49Å; E456-L460 PolarHBondContact O-N 3.21Å; V457-L460 PolarHBondContact O-N 2.81Å; L460-K464 PolarHBondContact O-N 3.22Å; L460-H465 HydrophobicContact CD2-CB 4.18Å; L460-H465 PolarHBondContact O-N 3.1Å; L460-I466 HydrophobicContact CB-CD1 3.77Å; L460-I466 HydrophobicContact CB-CG1 4.06Å; L460-I466 HydrophobicContact CD1-CD1 3.86Å; L460-I466 HydrophobicContact CG-CD1 4.47Å; L460-I466 PolarHBondContact O-N 3.49Å
461	V	92.6	Very high	90.7	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-70	-44.4	175.6	-179.2	0	0	0	0	111	V457 M458 L459 S463 K464 I466 A468 L471 M488	V457-V461 WeakPolarHBondContact O-CG2 3.2Å; V457-V461 PolarHBondContact O-N 3.2Å; M458-V461 PolarHBondContact O-N 3.22Å; L459-V461 VanDerWaalsContact C-N 3.31Å; L459-V461 PolarHBondContact O-N 3.49Å; V461-S463 VanDerWaalsContact C-N 3.28Å; V461-S463 PolarHBondContact O-N 3.42Å; V461-K464 PolarHBondContact O-N 3.42Å; V461-I466 WeakPolarHBondContact CA-O 3.28Å; V461-I466 HydrophobicContact CG2-CB 3.92Å; V461-I466 HydrophobicContact CG2-CG2 3.95Å; V461-A468 HydrophobicContact CG1-CB 3.8Å; V461-L471 HydrophobicContact CG2-CD1 4.41Å; V461-L471 HydrophobicContact CG2-CD2 3.8Å; V461-L471 HydrophobicContact CG2-CG 4.38Å; V461-M488 HydrophobicContact CB-CE 3.82Å; V461-M488 HydrophobicContact CB-SD 4.01Å; V461-M488 HydrophobicContact CG1-CE 3.55Å; V461-M488 HydrophobicContact CG1-SD 3.87Å; V461-M488 HydrophobicContact CG2-SD 4.3Å
462	T	91.2	Very high	90.8	Very high	103 Å²	103	49.9 Å²	49.9	63%	0.632	27%	0.266	S	S	*	.	H	α-helix	trans	-63.7	-37.3	179.9	-55	0	0	0	0	111.3	M458 L459 K464	M458-T462 WeakPolarHBondContact O-CB 3.43Å; M458-T462 PolarHBondContact O-N 3.27Å; M458-T462 PolarHBondContact O-OG1 3.45Å; L459-T462 PolarHBondContact O-N 3.39Å; T462-K464 PolarHBondContact O-N 3.44Å
463	S	91.6	Very high	90.7	Very high	47 Å²	47	53.4 Å²	53.4	33%	0.329	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	6.2	174.2	-59.7	0	0	0	0	114.1	L459 V461 H465	L459-S463 WeakPolarHBondContact O-CB 3.36Å; L459-S463 PolarHBondContact O-N 2.98Å; L459-S463 PolarHBondContact O-OG 3.38Å; L459-S463 VanDerWaalsContact O-OG 3.14Å; V461-S463 VanDerWaalsContact C-N 3.28Å; V461-S463 PolarHBondContact O-N 3.42Å; S463-H465 PolarHBondContact O-N 3.44Å
464	K	91.5	Very high	90.6	Very high	190 Å²	190	54.2 Å²	54.2	83%	0.826	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	17.1	177.4	-55.1	-178.3	179.7	176.9	0	116	L460 V461 T462	L460-K464 PolarHBondContact O-N 3.22Å; V461-K464 PolarHBondContact O-N 3.42Å; T462-K464 PolarHBondContact O-N 3.44Å
465	H	90	Very high	90.4	Very high	98 Å²	98	52.4 Å²	52.4	45%	0.454	29%	0.287	S	S	.	.	S	Bend	trans	-74.3	-30.4	170.4	-70.2	-78.4	0	0	0	111.7	L460 S463	L460-H465 HydrophobicContact CD2-CB 4.18Å; L460-H465 PolarHBondContact O-N 3.1Å; S463-H465 PolarHBondContact O-N 3.44Å
466	I	89.3	Confident	90.3	Very high	2 Å²	2	54 Å²	54	1%	0.01	29%	0.286	C	S	.	.	S	Bend	trans	-117.1	120.9	174.4	-62.6	176.2	0	0	0	109.6	F442 V457 L460 V461 A468 L471 L474	F442-I466 HydrophobicContact CD2-CD1 3.89Å; F442-I466 HydrophobicContact CE1-CD1 4.32Å; F442-I466 HydrophobicContact CE1-CG1 4.06Å; F442-I466 HydrophobicContact CE2-CD1 3.56Å; F442-I466 HydrophobicContact CE2-CG1 4.13Å; F442-I466 HydrophobicContact CG-CD1 4.4Å; F442-I466 HydrophobicContact CZ-CD1 3.81Å; F442-I466 HydrophobicContact CZ-CG1 3.83Å; V457-I466 HydrophobicContact CG1-CD1 4.45Å; L460-I466 HydrophobicContact CB-CD1 3.77Å; L460-I466 HydrophobicContact CB-CG1 4.06Å; L460-I466 HydrophobicContact CD1-CD1 3.86Å; L460-I466 HydrophobicContact CG-CD1 4.47Å; L460-I466 PolarHBondContact O-N 3.49Å; V461-I466 WeakPolarHBondContact CA-O 3.28Å; V461-I466 HydrophobicContact CG2-CB 3.92Å; V461-I466 HydrophobicContact CG2-CG2 3.95Å; I466-A468 PolarHBondContact O-N 3.08Å; I466-L471 HydrophobicContact CG2-CD2 4.04Å; I466-L474 HydrophobicContact CG2-CD1 3.76Å
467	P	89.8	Confident	90.2	Very high	50 Å²	50	60.7 Å²	60.7	33%	0.325	32%	0.315	S	S	.	.			trans	-67.1	126.4	170.9	-18.3	30.9	0	0	0	111	Y469 K470	P467-Y469 HydrophobicContact CB-CD1 3.88Å; P467-Y469 HydrophobicContact CB-CE1 3.45Å; P467-Y469 VanDerWaalsContact CB-CE1 3.45Å; P467-Y469 HydrophobicContact CG-CE1 4.47Å; P467-Y469 PolarHBondContact O-N 3.45Å; P467-Y469 VanDerWaalsContact O-N 3.09Å; P467-K470 HydrophobicContact CB-CG 4.29Å; P467-K470 HydrophobicContact CG-CD 4.32Å; P467-K470 PolarHBondContact O-N 3.29Å
468	A	88.4	Confident	90.2	Very high	44 Å²	44	62.6 Å²	62.6	36%	0.364	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-56.4	-31	-174.9	0	0	0	0	0	114.6	V461 I466 K470 L471 R485	V461-A468 HydrophobicContact CG1-CB 3.8Å; I466-A468 PolarHBondContact O-N 3.08Å; A468-K470 VanDerWaalsContact C-N 3.26Å; A468-K470 PolarHBondContact O-N 3.39Å; A468-L471 WeakPolarHBondContact O-CD1 3.29Å; A468-L471 WeakPolarHBondContact O-CG 3.35Å; A468-R485 PolarHBondContact O-NH2 3.28Å
469	Y	88	Confident	90.4	Very high	136 Å²	136	63.3 Å²	63.3	53%	0.533	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-75.9	-9.7	179	68.8	-93.3	0	0	0	113.9	P467 N519	P467-Y469 HydrophobicContact CB-CD1 3.88Å; P467-Y469 HydrophobicContact CB-CE1 3.45Å; P467-Y469 VanDerWaalsContact CB-CE1 3.45Å; P467-Y469 HydrophobicContact CG-CE1 4.47Å; P467-Y469 PolarHBondContact O-N 3.45Å; P467-Y469 VanDerWaalsContact O-N 3.09Å; Y469-N519 WeakPolarHBondContact CB-OD1 3.24Å
470	K	90.4	Very high	90.5	Very high	95 Å²	95	62 Å²	62	41%	0.413	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-100.9	2.7	178.5	-64.2	-165.4	177.4	-178	0	113.6	P467 A468 E472 A473 L474	P467-K470 HydrophobicContact CB-CG 4.29Å; P467-K470 HydrophobicContact CG-CD 4.32Å; P467-K470 PolarHBondContact O-N 3.29Å; A468-K470 VanDerWaalsContact C-N 3.26Å; A468-K470 PolarHBondContact O-N 3.39Å; K470-E472 VanDerWaalsContact C-N 3.33Å; K470-E472 PolarHBondContact O-N 3.21Å; K470-A473 PolarHBondContact O-N 3.04Å; K470-A473 VanDerWaalsContact O-N 3.08Å; K470-L474 HydrophobicContact CB-CD1 3.8Å; K470-L474 HydrophobicContact CB-CG 4.22Å; K470-L474 WeakPolarHBondContact O-CG 3.37Å; K470-L474 PolarHBondContact O-N 2.87Å
471	L	90.9	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-54.2	-46.9	-174.5	-81	170.8	0	0	0	112.6	V457 V461 I466 A468 A473 L474 M475 I484 R485	V457-L471 HydrophobicContact CG1-CD2 3.96Å; V461-L471 HydrophobicContact CG2-CD1 4.41Å; V461-L471 HydrophobicContact CG2-CD2 3.8Å; V461-L471 HydrophobicContact CG2-CG 4.38Å; I466-L471 HydrophobicContact CG2-CD2 4.04Å; A468-L471 WeakPolarHBondContact O-CD1 3.29Å; A468-L471 WeakPolarHBondContact O-CG 3.35Å; L471-A473 PolarHBondContact O-N 3.33Å; L471-L474 PolarHBondContact O-N 3.42Å; L471-M475 HydrophobicContact CD2-CE 4.5Å; L471-M475 WeakPolarHBondContact O-CB 3.41Å; L471-M475 WeakPolarHBondContact O-CG 3.08Å; L471-M475 PolarHBondContact O-N 2.97Å; L471-I484 HydrophobicContact CD1-CG2 4.27Å; L471-R485 HydrophobicContact CD1-CB 4.26Å
472	E	88.9	Confident	90.8	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.023	32%	0.316	C	S	.	.	H	α-helix	trans	-68	-23.8	-177.6	-50.4	94	132.9	0	0	113.2	K470 P478 V482 R485 M513	K470-E472 VanDerWaalsContact C-N 3.33Å; K470-E472 PolarHBondContact O-N 3.21Å; E472-P478 HydrophobicContact CB-CB 4.18Å; E472-V482 HydrophobicContact CG-CG2 3.96Å; E472-R485 VanDerWaalsContact CD-NH1 3.26Å; E472-R485 IonicContact OE1-CZ 3.02Å; E472-R485 IonicContact OE1-NH1 2.97Å; E472-R485 PolarHBondContact OE1-NH1 2.85Å; E472-R485 IonicContact OE1-NH2 3.33Å; E472-R485 PolarHBondContact OE1-NH2 3.21Å; E472-R485 IonicContact OE2-CZ 3Å; E472-R485 IonicContact OE2-NH1 3.15Å; E472-R485 IonicContact OE2-NH2 2.69Å; E472-R485 PolarHBondContact OE2-NH2 3.47Å; E472-M513 HydrophobicContact CB-CE 3.61Å; E472-M513 HydrophobicContact CB-CG 4Å; E472-M513 HydrophobicContact CB-SD 3.55Å; E472-M513 VanDerWaalsContact CB-SD 3.55Å; E472-M513 VanDerWaalsContact CD-CE 3.48Å; E472-M513 VanDerWaalsContact CD-SD 3.55Å; E472-M513 HydrophobicContact CG-CE 3.97Å; E472-M513 HydrophobicContact CG-SD 3.63Å
473	A	87.6	Confident	91	Very high	80 Å²	80	57 Å²	57	66%	0.661	29%	0.292	S	S	*	.	H	α-helix	trans	-87	-24.4	176.9	0	0	0	0	0	112.7	K470 L471	K470-A473 PolarHBondContact O-N 3.04Å; K470-A473 VanDerWaalsContact O-N 3.08Å; L471-A473 PolarHBondContact O-N 3.33Å
474	L	88.3	Confident	91.1	Very high	63 Å²	63	54.8 Å²	54.8	33%	0.33	28%	0.276	S	S	.	.	H	α-helix	trans	-95.7	-30	-177	-68.4	171.2	0	0	0	112.8	F442 P449 I466 K470 L471	F442-L474 HydrophobicContact CZ-CD1 4.21Å; F442-L474 HydrophobicContact CZ-CD2 4.36Å; P449-L474 WeakPolarHBondContact CG-O 3.28Å; I466-L474 HydrophobicContact CG2-CD1 3.76Å; K470-L474 HydrophobicContact CB-CD1 3.8Å; K470-L474 HydrophobicContact CB-CG 4.22Å; K470-L474 WeakPolarHBondContact O-CG 3.37Å; K470-L474 PolarHBondContact O-N 2.87Å; L471-L474 PolarHBondContact O-N 3.42Å
475	M	89.8	Confident	91.3	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.054	24%	0.239	C	C	.	.	S	Bend	trans	-73.6	155.7	176.3	-62.7	-58.5	94.9	0	0	111.3	P449 V457 L471 K477 I484	P449-M475 HydrophobicContact CB-CE 3.58Å; P449-M475 HydrophobicContact CB-SD 4.11Å; P449-M475 HydrophobicContact CG-CE 4.28Å; V457-M475 HydrophobicContact CG1-CE 4Å; V457-M475 HydrophobicContact CG1-SD 3.99Å; V457-M475 HydrophobicContact CG2-SD 4.2Å; L471-M475 HydrophobicContact CD2-CE 4.5Å; L471-M475 WeakPolarHBondContact O-CB 3.41Å; L471-M475 WeakPolarHBondContact O-CG 3.08Å; L471-M475 PolarHBondContact O-N 2.97Å; M475-K477 PolarHBondContact O-N 3.29Å; M475-I484 HydrophobicContact CG-CD1 4.46Å; M475-I484 HydrophobicContact SD-CD1 3.94Å
476	E	87.5	Confident	91.5	Very high	81 Å²	81	42.8 Å²	42.8	38%	0.379	22%	0.221	S	C	.	.	S	Bend	trans	-60.8	-33.1	177.7	68.6	-77.8	-175.1	0	0	112.9	Y450 R480	Y450-E476 HydrophobicContact CD2-CG 4.08Å; E476-R480 VanDerWaalsContact CD-NH1 3.33Å; E476-R480 WeakPolarHBondContact OE1-CD 3.34Å; E476-R480 IonicContact OE1-CZ 2.59Å; E476-R480 IonicContact OE1-NE 3.42Å; E476-R480 IonicContact OE1-NH1 3.37Å; E476-R480 PolarHBondContact OE1-NH1 3.47Å; E476-R480 IonicContact OE2-NH1 2.97Å; E476-R480 PolarHBondContact OE2-NH1 3.15Å
477	K	90.3	Very high	91.7	Very high	145 Å²	145	46.5 Å²	46.5	63%	0.63	24%	0.239	S	C	*	.	S	Bend	trans	-127	128.6	174.3	-70.7	-177.6	-177.1	178.9	0	108.9	M475 E479 R480 G481	M475-K477 PolarHBondContact O-N 3.29Å; K477-E479 PolarHBondContact O-N 3Å; K477-E479 VanDerWaalsContact O-N 3.16Å; K477-R480 WeakPolarHBondContact O-CB 3.44Å; K477-R480 PolarHBondContact O-N 3.16Å; K477-G481 PolarHBondContact O-N 3.36Å
478	P	92.4	Very high	91.9	Very high	40 Å²	40	45.7 Å²	45.7	26%	0.26	23%	0.231	S	C	.	.	H	α-helix	trans	-53.1	-36.7	174.7	-31.6	37.9	0	0	0	113.7	E472 R480 G481 V482	E472-P478 HydrophobicContact CB-CB 4.18Å; P478-R480 VanDerWaalsContact C-N 3.3Å; P478-R480 PolarHBondContact O-N 3.18Å; P478-G481 WeakPolarHBondContact O-CA 3.36Å; P478-G481 PolarHBondContact O-N 3.31Å; P478-G481 VanDerWaalsContact O-N 3.09Å; P478-V482 PolarHBondContact O-N 3.09Å
479	E	95.2	Very high	92.1	Very high	60 Å²	60	46.2 Å²	46.2	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-38.8	177.2	-172.1	179.9	110.5	0	0	112.6	K477 V482 A483 Y504 N506 Y509	K477-E479 PolarHBondContact O-N 3Å; K477-E479 VanDerWaalsContact O-N 3.16Å; E479-V482 WeakPolarHBondContact O-CB 3.32Å; E479-V482 PolarHBondContact O-N 3.4Å; E479-A483 PolarHBondContact O-N 2.9Å; E479-Y504 HydrophobicContact CG-CD2 4.24Å; E479-Y504 HydrophobicContact CG-CE2 4.27Å; E479-N506 PolarHBondContact OE2-N 2.88Å; E479-Y509 HydrophobicContact CB-CD2 4.34Å; E479-Y509 HydrophobicContact CB-CE2 4.47Å; E479-Y509 HydrophobicContact CG-CE2 4.43Å
480	R	94.4	Very high	92.4	Very high	38 Å²	38	40.7 Å²	40.7	14%	0.143	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-39.6	175.5	-174.3	-179.8	177.5	-153.3	-4.4	111.4	P449 L452 D454 E476 K477 P478 V482 A483 I484	P449-R480 PolarHBondContact O-NH1 2.93Å; L452-R480 PolarHBondContact O-NH2 3.02Å; D454-R480 IonicContact OD1-CZ 3.62Å; D454-R480 IonicContact OD1-NE 2.8Å; D454-R480 PolarHBondContact OD1-NE 2.78Å; D454-R480 IonicContact OD1-NH2 3.49Å; D454-R480 PolarHBondContact OD1-NH2 2.92Å; E476-R480 VanDerWaalsContact CD-NH1 3.33Å; E476-R480 WeakPolarHBondContact OE1-CD 3.34Å; E476-R480 IonicContact OE1-CZ 2.59Å; E476-R480 IonicContact OE1-NE 3.42Å; E476-R480 IonicContact OE1-NH1 3.37Å; E476-R480 PolarHBondContact OE1-NH1 3.47Å; E476-R480 IonicContact OE2-NH1 2.97Å; E476-R480 PolarHBondContact OE2-NH1 3.15Å; K477-R480 WeakPolarHBondContact O-CB 3.44Å; K477-R480 PolarHBondContact O-N 3.16Å; P478-R480 VanDerWaalsContact C-N 3.3Å; P478-R480 PolarHBondContact O-N 3.18Å; R480-V482 VanDerWaalsContact C-N 3.29Å; R480-V482 PolarHBondContact O-N 2.74Å; R480-A483 WeakPolarHBondContact O-CB 3.44Å; R480-A483 PolarHBondContact O-N 2.93Å; R480-A483 VanDerWaalsContact O-N 3.16Å; R480-I484 HydrophobicContact CG-CD1 3.97Å; R480-I484 HydrophobicContact CG-CG1 4.4Å; R480-I484 WeakPolarHBondContact O-CG1 3.35Å; R480-I484 PolarHBondContact O-N 3.06Å
481	G	94.4	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-41.5	173.1	0	0	0	0	0	112.4	K477 P478 R485	K477-G481 PolarHBondContact O-N 3.36Å; P478-G481 WeakPolarHBondContact O-CA 3.36Å; P478-G481 PolarHBondContact O-N 3.31Å; P478-G481 VanDerWaalsContact O-N 3.09Å; G481-R485 PolarHBondContact O-N 3.26Å; G481-R485 VanDerWaalsContact O-N 3.09Å
482	V	95.9	Very high	92.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-44.3	173.6	177.1	0	0	0	0	111.2	E472 P478 E479 R480 R485 R486 Y504 Y509 V520	E472-V482 HydrophobicContact CG-CG2 3.96Å; P478-V482 PolarHBondContact O-N 3.09Å; E479-V482 WeakPolarHBondContact O-CB 3.32Å; E479-V482 PolarHBondContact O-N 3.4Å; R480-V482 VanDerWaalsContact C-N 3.29Å; R480-V482 PolarHBondContact O-N 2.74Å; V482-R485 PolarHBondContact O-N 3.19Å; V482-R486 HydrophobicContact CG1-CG 4.47Å; V482-R486 VanDerWaalsContact O-CG 3.24Å; V482-R486 WeakPolarHBondContact O-CG 3.26Å; V482-R486 PolarHBondContact O-N 3.33Å; V482-Y504 HydrophobicContact CG1-CD2 4.08Å; V482-Y504 HydrophobicContact CG1-CG 4.39Å; V482-Y509 HydrophobicContact CB-CE2 4.49Å; V482-Y509 HydrophobicContact CG2-CD1 4.31Å; V482-Y509 HydrophobicContact CG2-CD2 4.21Å; V482-Y509 HydrophobicContact CG2-CE1 4.25Å; V482-Y509 HydrophobicContact CG2-CE2 4.1Å; V482-Y509 HydrophobicContact CG2-CG 4.3Å; V482-V520 HydrophobicContact CG2-CB 4.17Å; V482-V520 HydrophobicContact CG2-CG1 4.06Å
483	A	95.5	Very high	92.5	Very high	13 Å²	13	51.8 Å²	51.8	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-49	177.9	0	0	0	0	0	112.3	E479 R480 R485 R486 Q487 Y504	E479-A483 PolarHBondContact O-N 2.9Å; R480-A483 WeakPolarHBondContact O-CB 3.44Å; R480-A483 PolarHBondContact O-N 2.93Å; R480-A483 VanDerWaalsContact O-N 3.16Å; A483-R485 PolarHBondContact O-N 2.96Å; A483-R486 WeakPolarHBondContact O-CB 3.44Å; A483-R486 PolarHBondContact O-N 3.09Å; A483-R486 VanDerWaalsContact O-N 3.15Å; A483-Q487 PolarHBondContact O-N 2.76Å; A483-Y504 HydrophobicContact CB-CE2 3.73Å
484	I	94.8	Very high	92.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-45	178.1	-68.2	169.6	0	0	0	110.2	D454 V457 M458 L471 M475 R480 R486 Q487 M488	D454-I484 HydrophobicContact CB-CG1 4.24Å; V457-I484 HydrophobicContact CB-CD1 3.95Å; V457-I484 HydrophobicContact CG1-CD1 3.79Å; V457-I484 HydrophobicContact CG1-CG2 4.26Å; V457-I484 HydrophobicContact CG2-CD1 4.3Å; M458-I484 HydrophobicContact CG-CG2 3.83Å; L471-I484 HydrophobicContact CD1-CG2 4.27Å; M475-I484 HydrophobicContact CG-CD1 4.46Å; M475-I484 HydrophobicContact SD-CD1 3.94Å; R480-I484 HydrophobicContact CG-CD1 3.97Å; R480-I484 HydrophobicContact CG-CG1 4.4Å; R480-I484 WeakPolarHBondContact O-CG1 3.35Å; R480-I484 PolarHBondContact O-N 3.06Å; I484-R486 VanDerWaalsContact C-N 3.29Å; I484-R486 PolarHBondContact O-N 2.95Å; I484-Q487 PolarHBondContact O-N 2.93Å; I484-M488 HydrophobicContact CG2-CG 4.47Å; I484-M488 HydrophobicContact CG2-SD 4.36Å; I484-M488 WeakPolarHBondContact O-CG 3.43Å; I484-M488 PolarHBondContact O-N 2.85Å
485	R	94.9	Very high	92.9	Very high	12 Å²	12	54.9 Å²	54.9	5%	0.045	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-41.5	175.7	-174.7	178.2	-62.5	128.6	-1.8	112	A468 L471 E472 G481 V482 A483 M488 I489 N519 V520 I521	A468-R485 PolarHBondContact O-NH2 3.28Å; L471-R485 HydrophobicContact CD1-CB 4.26Å; E472-R485 VanDerWaalsContact CD-NH1 3.26Å; E472-R485 IonicContact OE1-CZ 3.02Å; E472-R485 IonicContact OE1-NH1 2.97Å; E472-R485 PolarHBondContact OE1-NH1 2.85Å; E472-R485 IonicContact OE1-NH2 3.33Å; E472-R485 PolarHBondContact OE1-NH2 3.21Å; E472-R485 IonicContact OE2-CZ 3Å; E472-R485 IonicContact OE2-NH1 3.15Å; E472-R485 IonicContact OE2-NH2 2.69Å; E472-R485 PolarHBondContact OE2-NH2 3.47Å; G481-R485 PolarHBondContact O-N 3.26Å; G481-R485 VanDerWaalsContact O-N 3.09Å; V482-R485 PolarHBondContact O-N 3.19Å; A483-R485 PolarHBondContact O-N 2.96Å; R485-M488 PolarHBondContact O-N 3.13Å; R485-I489 HydrophobicContact CG-CD1 3.72Å; R485-I489 HydrophobicContact CG-CG1 4.36Å; R485-I489 WeakPolarHBondContact O-CB 3.42Å; R485-I489 WeakPolarHBondContact O-CG1 3.5Å; R485-I489 PolarHBondContact O-N 2.87Å; R485-N519 VanDerWaalsContact NH1-CA 3.31Å; R485-V520 PolarHBondContact NH1-O 3.47Å; R485-I521 HydrophobicContact CG-CG2 4.13Å
486	R	95.3	Very high	92.7	Very high	24 Å²	24	58.7 Å²	58.7	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-42.2	176.6	-69.6	164.2	61.1	84.2	-0.1	111.7	V482 A483 I484 I489 S490 L499 L502 Y504 I521	V482-R486 HydrophobicContact CG1-CG 4.47Å; V482-R486 VanDerWaalsContact O-CG 3.24Å; V482-R486 WeakPolarHBondContact O-CG 3.26Å; V482-R486 PolarHBondContact O-N 3.33Å; A483-R486 WeakPolarHBondContact O-CB 3.44Å; A483-R486 PolarHBondContact O-N 3.09Å; A483-R486 VanDerWaalsContact O-N 3.15Å; I484-R486 VanDerWaalsContact C-N 3.29Å; I484-R486 PolarHBondContact O-N 2.95Å; R486-I489 PolarHBondContact O-N 3.36Å; R486-S490 WeakPolarHBondContact O-CB 3.43Å; R486-S490 PolarHBondContact O-N 3Å; R486-S490 PolarHBondContact O-OG 2.69Å; R486-L499 HydrophobicContact CB-CD1 4.14Å; R486-L499 HydrophobicContact CG-CD1 4.31Å; R486-L499 PolarHBondContact NH2-O 3Å; R486-L502 PolarHBondContact NH1-O 3.04Å; R486-L502 PolarHBondContact NH2-O 3.47Å; R486-Y504 VanDerWaalsContact CZ-CD1 3.46Å; R486-Y504 VanDerWaalsContact NE-CD1 3.26Å; R486-I521 WeakPolarHBondContact CD-O 3.2Å; R486-I521 HydrophobicContact CG-CB 4.11Å; R486-I521 WeakPolarHBondContact CG-O 3.36Å; R486-I521 PolarHBondContact NH1-O 3.43Å
487	Q	93.7	Very high	92.9	Very high	80 Å²	80	58.4 Å²	58.4	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-48	175.3	-67.6	176.1	21.7	0	0	111.2	D454 M458 A483 I484 I489 S490 A491	D454-Q487 PolarHBondContact OD2-NE2 3.29Å; M458-Q487 HydrophobicContact SD-CB 3.91Å; A483-Q487 PolarHBondContact O-N 2.76Å; I484-Q487 PolarHBondContact O-N 2.93Å; Q487-I489 VanDerWaalsContact C-N 3.33Å; Q487-I489 PolarHBondContact O-N 3.4Å; Q487-S490 PolarHBondContact O-N 2.79Å; Q487-A491 PolarHBondContact O-N 3.09Å
488	M	92.3	Very high	92.9	Very high	32 Å²	32	54.5 Å²	54.5	16%	0.158	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-38.3	178.8	-67.5	-173.3	76.5	0	0	113.4	M458 V461 I484 R485	M458-M488 HydrophobicContact CB-CG 4.33Å; M458-M488 HydrophobicContact CG-CG 3.58Å; M458-M488 HydrophobicContact CG-SD 4.19Å; M458-M488 HydrophobicContact SD-CG 3.75Å; V461-M488 HydrophobicContact CB-CE 3.82Å; V461-M488 HydrophobicContact CB-SD 4.01Å; V461-M488 HydrophobicContact CG1-CE 3.55Å; V461-M488 HydrophobicContact CG1-SD 3.87Å; V461-M488 HydrophobicContact CG2-SD 4.3Å; I484-M488 HydrophobicContact CG2-CG 4.47Å; I484-M488 HydrophobicContact CG2-SD 4.36Å; I484-M488 WeakPolarHBondContact O-CG 3.43Å; I484-M488 PolarHBondContact O-N 2.85Å; R485-M488 PolarHBondContact O-N 3.13Å
489	I	93.4	Very high	93	Very high	56 Å²	56	53.6 Å²	53.6	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-73.5	-41.5	177.7	-70.1	170.1	0	0	0	110.4	R485 R486 Q487 A491 K492 L493 L499 I521	R485-I489 HydrophobicContact CG-CD1 3.72Å; R485-I489 HydrophobicContact CG-CG1 4.36Å; R485-I489 WeakPolarHBondContact O-CB 3.42Å; R485-I489 WeakPolarHBondContact O-CG1 3.5Å; R485-I489 PolarHBondContact O-N 2.87Å; R486-I489 PolarHBondContact O-N 3.36Å; Q487-I489 VanDerWaalsContact C-N 3.33Å; Q487-I489 PolarHBondContact O-N 3.4Å; I489-A491 PolarHBondContact O-N 3.39Å; I489-K492 WeakPolarHBondContact O-CA 3.18Å; I489-K492 WeakPolarHBondContact O-CB 3.16Å; I489-K492 PolarHBondContact O-N 2.94Å; I489-L493 HydrophobicContact CG2-CD1 4.1Å; I489-L493 HydrophobicContact CG2-CD2 4.28Å; I489-L493 HydrophobicContact CG2-CG 4.08Å; I489-L493 WeakPolarHBondContact O-CG 3.46Å; I489-L493 PolarHBondContact O-N 3.47Å; I489-L499 HydrophobicContact CG2-CD1 4.33Å; I489-I521 HydrophobicContact CD1-CG2 3.57Å
490	S	93.6	Very high	92.9	Very high	20 Å²	20	55.1 Å²	55.1	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-32.7	-179.1	-58.8	0	0	0	0	112.6	R486 Q487 K492 L493	R486-S490 WeakPolarHBondContact O-CB 3.43Å; R486-S490 PolarHBondContact O-N 3Å; R486-S490 PolarHBondContact O-OG 2.69Å; Q487-S490 PolarHBondContact O-N 2.79Å; S490-K492 PolarHBondContact O-N 2.97Å; S490-L493 PolarHBondContact O-N 3.41Å
491	A	88.9	Confident	92.9	Very high	90 Å²	90	58.7 Å²	58.7	74%	0.744	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.5	174.2	0	0	0	0	0	114.2	Q487 I489	Q487-A491 PolarHBondContact O-N 3.09Å; I489-A491 PolarHBondContact O-N 3.39Å
492	K	91.8	Very high	93	Very high	172 Å²	172	60.6 Å²	60.6	75%	0.748	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-9.5	179.3	-60.8	178.8	-177.6	-179.9	0	113.2	I489 S490	I489-K492 WeakPolarHBondContact O-CA 3.18Å; I489-K492 WeakPolarHBondContact O-CB 3.16Å; I489-K492 PolarHBondContact O-N 2.94Å; S490-K492 PolarHBondContact O-N 2.97Å
493	L	93.2	Very high	93.1	Very high	71 Å²	71	62.5 Å²	62.5	37%	0.372	39%	0.39	S	S	.	.	S	Bend	trans	-85.4	147.3	178.9	-63.8	178	0	0	0	110.2	I489 S490 C495 A498 L499	I489-L493 HydrophobicContact CG2-CD1 4.1Å; I489-L493 HydrophobicContact CG2-CD2 4.28Å; I489-L493 HydrophobicContact CG2-CG 4.08Å; I489-L493 WeakPolarHBondContact O-CG 3.46Å; I489-L493 PolarHBondContact O-N 3.47Å; S490-L493 PolarHBondContact O-N 3.41Å; L493-C495 PolarHBondContact O-N 3.29Å; L493-A498 HydrophobicContact CD1-CB 3.99Å; L493-L499 HydrophobicContact CD1-CD1 4.45Å; L493-L499 HydrophobicContact CD1-CG 4.14Å
494	S	92.3	Very high	93.2	Very high	142 Å²	142	64.6 Å²	64.6	99%	0.993	40%	0.396	S	S	*	.	S	Bend	trans	-60.7	-25.2	173.8	-40.8	0	0	0	0	112.7
495	C	90.6	Very high	93.2	Very high	66 Å²	66	68.4 Å²	68.4	45%	0.446	42%	0.415	S	S	.	.	S	Bend	trans	-125.7	111.3	176.2	-177.8	0	0	0	0	109.8	L493 S497 A498	L493-C495 PolarHBondContact O-N 3.29Å; C495-S497 PolarHBondContact O-N 3.18Å; C495-S497 PolarHBondContact SG-OG 3Å; C495-A498 HydrophobicContact CB-CB 4.42Å; C495-A498 VanDerWaalsContact O-CB 3.29Å; C495-A498 WeakPolarHBondContact O-CB 3.3Å; C495-A498 PolarHBondContact O-N 3.04Å
496	S	85.7	Confident	93.2	Very high	90 Å²	90	75 Å²	75	63%	0.629	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27	-177.7	-176.4	0	0	0	0	113.1
497	S	91.3	Very high	93.2	Very high	76 Å²	76	76.4 Å²	76.4	53%	0.531	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.8	179.9	61.4	0	0	0	0	114.5	C495 L499 S500	C495-S497 PolarHBondContact O-N 3.18Å; C495-S497 PolarHBondContact SG-OG 3Å; S497-L499 PolarHBondContact O-N 2.96Å; S497-L499 VanDerWaalsContact O-N 3.13Å; S497-S500 VanDerWaalsContact O-CB 3.22Å; S497-S500 WeakPolarHBondContact O-CB 3.28Å; S497-S500 PolarHBondContact O-N 3.15Å; S497-S500 PolarHBondContact O-OG 3.1Å
498	A	91.6	Very high	93.2	Very high	62 Å²	62	75.8 Å²	75.8	51%	0.512	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.1	-174.2	0	0	0	0	0	114.1	L493 C495	L493-A498 HydrophobicContact CD1-CB 3.99Å; C495-A498 HydrophobicContact CB-CB 4.42Å; C495-A498 VanDerWaalsContact O-CB 3.29Å; C495-A498 WeakPolarHBondContact O-CB 3.3Å; C495-A498 PolarHBondContact O-N 3.04Å
499	L	94.4	Very high	93.3	Very high	21 Å²	21	74.5 Å²	74.5	11%	0.11	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.3	-179.4	-60.6	-178.5	0	0	0	113.8	R486 I489 L493 S497 S501 L502 I521	R486-L499 HydrophobicContact CB-CD1 4.14Å; R486-L499 HydrophobicContact CG-CD1 4.31Å; R486-L499 PolarHBondContact NH2-O 3Å; I489-L499 HydrophobicContact CG2-CD1 4.33Å; L493-L499 HydrophobicContact CD1-CD1 4.45Å; L493-L499 HydrophobicContact CD1-CG 4.14Å; S497-L499 PolarHBondContact O-N 2.96Å; S497-L499 VanDerWaalsContact O-N 3.13Å; L499-S501 VanDerWaalsContact C-N 3.27Å; L499-S501 PolarHBondContact O-N 2.82Å; L499-L502 HydrophobicContact CD2-CD2 4.15Å; L499-L502 PolarHBondContact O-N 3.31Å; L499-I521 HydrophobicContact CD2-CD1 4.26Å
500	S	92.9	Very high	93.2	Very high	92 Å²	92	75.6 Å²	75.6	64%	0.643	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.1	-174.4	56.9	0	0	0	0	113.7	S497	S497-S500 VanDerWaalsContact O-CB 3.22Å; S497-S500 WeakPolarHBondContact O-CB 3.28Å; S497-S500 PolarHBondContact O-N 3.15Å; S497-S500 PolarHBondContact O-OG 3.1Å
501	S	94.1	Very high	93.1	Very high	113 Å²	113	78.5 Å²	78.5	79%	0.79	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.4	-179	-58.1	0	0	0	0	113.9	L499 P503	L499-S501 VanDerWaalsContact C-N 3.27Å; L499-S501 PolarHBondContact O-N 2.82Å; S501-P503 VanDerWaalsContact O-CD 3.28Å; S501-P503 WeakPolarHBondContact O-CD 3.48Å
502	L	97	Very high	93.3	Very high	40 Å²	40	74.7 Å²	74.7	21%	0.209	44%	0.44	C	S	.	.	S	Bend	trans	-86.2	108.2	176	179.9	69	0	0	0	109.1	R486 L499 I521 Y523 I524	R486-L502 PolarHBondContact NH1-O 3.04Å; R486-L502 PolarHBondContact NH2-O 3.47Å; L499-L502 HydrophobicContact CD2-CD2 4.15Å; L499-L502 PolarHBondContact O-N 3.31Å; L502-I521 HydrophobicContact CD2-CD1 3.81Å; L502-I521 HydrophobicContact CD2-CG1 3.92Å; L502-Y523 WeakPolarHBondContact CD1-O 3.35Å; L502-I524 HydrophobicContact CD1-CG1 4.15Å
503	P	97.6	Very high	93.1	Very high	41 Å²	41	68.6 Å²	68.6	27%	0.266	42%	0.415	S	S	.	.			trans	-69.8	150.4	-175.8	31.2	-36.8	0	0	0	111.6	S501 G522 Y523 P525	S501-P503 VanDerWaalsContact O-CD 3.28Å; S501-P503 WeakPolarHBondContact O-CD 3.48Å; P503-G522 CarbonylContact O-C 3.56Å; P503-G522 WeakPolarHBondContact O-CA 3.4Å; P503-Y523 HydrophobicContact CB-CE1 4.07Å; P503-Y523 HydrophobicContact CB-CE2 4.04Å; P503-Y523 WeakPolarHBondContact CD-O 3.47Å; P503-Y523 HydrophobicContact CG-CD2 4Å; P503-Y523 HydrophobicContact CG-CE1 4.33Å; P503-Y523 HydrophobicContact CG-CE2 3.62Å; P503-Y523 WeakPolarHBondContact CG-O 2.97Å; P503-Y523 PolarHBondContact O-N 3.5Å; P503-P525 HydrophobicContact CG-CG 4.3Å
504	Y	97.1	Very high	92.7	Very high	57 Å²	57	68.8 Å²	68.8	22%	0.224	43%	0.433	C	S	.	.			trans	-150.9	-13.8	177.7	78.8	-80.1	0	0	0	114.3	E479 V482 A483 R486 Y509	E479-Y504 HydrophobicContact CG-CD2 4.24Å; E479-Y504 HydrophobicContact CG-CE2 4.27Å; V482-Y504 HydrophobicContact CG1-CD2 4.08Å; V482-Y504 HydrophobicContact CG1-CG 4.39Å; A483-Y504 HydrophobicContact CB-CE2 3.73Å; R486-Y504 VanDerWaalsContact CZ-CD1 3.46Å; R486-Y504 VanDerWaalsContact NE-CD1 3.26Å; Y504-Y509 WeakPolarHBondContact CA-OH 3.2Å; Y504-Y509 WeakPolarHBondContact CB-OH 3.35Å; Y504-Y509 WeakPolarHBondContact O-CE2 3.44Å; Y504-Y509 PolarHBondContact O-OH 3.03Å
505	I	96	Very high	92.5	Very high	80 Å²	80	66.1 Å²	66.1	41%	0.41	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	150.4	-176	-56.8	172.5	0	0	0	109.4	Y507	I505-Y507 VanDerWaalsContact C-N 3.31Å; I505-Y507 PolarHBondContact O-N 3.15Å
506	N	94.8	Very high	92.5	Very high	151 Å²	151	65.2 Å²	65.2	81%	0.807	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	33.5	175	-59.7	-38.3	0	0	0	113.9	E479	E479-N506 PolarHBondContact OE2-N 2.88Å
507	Y	94.9	Very high	92.9	Very high	52 Å²	52	63.8 Å²	63.8	20%	0.204	39%	0.394	C	S	.	.			trans	-115	134.8	174.6	-175	-85.8	0	0	0	110.9	I505 Y509 V512 Y523	I505-Y507 VanDerWaalsContact C-N 3.31Å; I505-Y507 PolarHBondContact O-N 3.15Å; Y507-Y509 VanDerWaalsContact C-N 3.31Å; Y507-Y509 AromaticContact CD1-CD1 3.54Å; Y507-Y509 HydrophobicContact CD1-CD1 3.54Å; Y507-Y509 HydrophobicContact CD1-CD2 4.29Å; Y507-Y509 AromaticContact CD1-CE1 3.46Å; Y507-Y509 HydrophobicContact CD1-CE1 3.46Å; Y507-Y509 VanDerWaalsContact CD1-CE1 3.46Å; Y507-Y509 HydrophobicContact CD1-CE2 4.27Å; Y507-Y509 AromaticContact CD1-CG 3.95Å; Y507-Y509 HydrophobicContact CD1-CG 3.95Å; Y507-Y509 AromaticContact CD1-CZ 3.87Å; Y507-Y509 AromaticContact CE1-CD1 3.99Å; Y507-Y509 HydrophobicContact CE1-CD1 3.99Å; Y507-Y509 HydrophobicContact CE1-CE1 4.1Å; Y507-Y509 HydrophobicContact CG-CE1 4.25Å; Y507-Y509 VanDerWaalsContact O-CD2 3.25Å; Y507-Y509 WeakPolarHBondContact O-CD2 3.37Å; Y507-Y509 PolarHBondContact O-N 3.47Å; Y507-V512 HydrophobicContact CE1-CG2 3.58Å; Y507-Y523 AromaticContact CD2-CD1 3.8Å; Y507-Y523 HydrophobicContact CD2-CD1 3.8Å; Y507-Y523 HydrophobicContact CD2-CE1 4.09Å; Y507-Y523 HydrophobicContact CD2-CG 4.11Å; Y507-Y523 AromaticContact CG-CD1 3.83Å; Y507-Y523 HydrophobicContact CG-CD1 3.83Å; Y507-Y523 HydrophobicContact CG-CE1 4.13Å
508	D	93.7	Very high	93	Very high	68 Å²	68	66.5 Å²	66.5	36%	0.364	40%	0.399	S	S	.	.			trans	-75.6	80	-180	-176.8	11.7	0	0	0	111.6	S510 K511	D508-S510 PolarHBondContact O-N 3.47Å; D508-S510 WeakPolarHBondContact OD1-CB 3.46Å; D508-S510 PolarHBondContact OD1-N 2.93Å; D508-S510 PolarHBondContact OD1-OG 3.5Å; D508-K511 PolarHBondContact O-N 2.88Å; D508-K511 WeakPolarHBondContact OD2-CD 3.01Å; D508-K511 WeakPolarHBondContact OD2-CE 3.45Å; D508-K511 WeakPolarHBondContact OD2-CG 3.13Å
509	Y	94.7	Very high	93.1	Very high	5 Å²	5	68 Å²	68	2%	0.02	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-67.2	-17.5	177.9	-68.3	-66	0	0	0	113.7	E479 V482 Y504 Y507 K511 V512 M513 V520	E479-Y509 HydrophobicContact CB-CD2 4.34Å; E479-Y509 HydrophobicContact CB-CE2 4.47Å; E479-Y509 HydrophobicContact CG-CE2 4.43Å; V482-Y509 HydrophobicContact CB-CE2 4.49Å; V482-Y509 HydrophobicContact CG2-CD1 4.31Å; V482-Y509 HydrophobicContact CG2-CD2 4.21Å; V482-Y509 HydrophobicContact CG2-CE1 4.25Å; V482-Y509 HydrophobicContact CG2-CE2 4.1Å; V482-Y509 HydrophobicContact CG2-CG 4.3Å; Y504-Y509 WeakPolarHBondContact CA-OH 3.2Å; Y504-Y509 WeakPolarHBondContact CB-OH 3.35Å; Y504-Y509 WeakPolarHBondContact O-CE2 3.44Å; Y504-Y509 PolarHBondContact O-OH 3.03Å; Y507-Y509 VanDerWaalsContact C-N 3.31Å; Y507-Y509 AromaticContact CD1-CD1 3.54Å; Y507-Y509 HydrophobicContact CD1-CD1 3.54Å; Y507-Y509 HydrophobicContact CD1-CD2 4.29Å; Y507-Y509 AromaticContact CD1-CE1 3.46Å; Y507-Y509 HydrophobicContact CD1-CE1 3.46Å; Y507-Y509 VanDerWaalsContact CD1-CE1 3.46Å; Y507-Y509 HydrophobicContact CD1-CE2 4.27Å; Y507-Y509 AromaticContact CD1-CG 3.95Å; Y507-Y509 HydrophobicContact CD1-CG 3.95Å; Y507-Y509 AromaticContact CD1-CZ 3.87Å; Y507-Y509 AromaticContact CE1-CD1 3.99Å; Y507-Y509 HydrophobicContact CE1-CD1 3.99Å; Y507-Y509 HydrophobicContact CE1-CE1 4.1Å; Y507-Y509 HydrophobicContact CG-CE1 4.25Å; Y507-Y509 VanDerWaalsContact O-CD2 3.25Å; Y507-Y509 WeakPolarHBondContact O-CD2 3.37Å; Y507-Y509 PolarHBondContact O-N 3.47Å; Y509-K511 PolarHBondContact O-N 3.03Å; Y509-K511 VanDerWaalsContact O-N 3.14Å; Y509-V512 PolarHBondContact O-N 2.93Å; Y509-M513 WeakPolarHBondContact O-CG 2.9Å; Y509-M513 PolarHBondContact O-N 3.32Å; Y509-M513 VanDerWaalsContact O-N 3.09Å; Y509-V520 HydrophobicContact CD1-CG1 3.81Å; Y509-V520 HydrophobicContact CE1-CG1 3.42Å; Y509-V520 VanDerWaalsContact CE1-CG1 3.42Å
510	S	91.6	Very high	93.2	Very high	78 Å²	78	67.4 Å²	67.4	55%	0.545	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-58.6	-30.5	178.8	77	0	0	0	0	112.1	D508	D508-S510 PolarHBondContact O-N 3.47Å; D508-S510 WeakPolarHBondContact OD1-CB 3.46Å; D508-S510 PolarHBondContact OD1-N 2.93Å; D508-S510 PolarHBondContact OD1-OG 3.5Å
511	K	91.1	Very high	93.3	Very high	82 Å²	82	65.6 Å²	65.6	36%	0.357	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-86.6	-8	177.7	-65.7	-175.6	178.7	-175	0	114.7	D508 Y509 T515 L801 P802	D508-K511 PolarHBondContact O-N 2.88Å; D508-K511 WeakPolarHBondContact OD2-CD 3.01Å; D508-K511 WeakPolarHBondContact OD2-CE 3.45Å; D508-K511 WeakPolarHBondContact OD2-CG 3.13Å; Y509-K511 PolarHBondContact O-N 3.03Å; Y509-K511 VanDerWaalsContact O-N 3.14Å; K511-T515 PolarHBondContact O-OG1 3.12Å; K511-L801 HydrophobicContact CB-CD2 4.08Å; K511-P802 HydrophobicContact CD-CG 3.81Å
512	V	93	Very high	93.4	Very high	9 Å²	9	61 Å²	61	6%	0.055	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-39.3	177.7	173.7	0	0	0	0	111.1	Y507 Y509 G514 T515 C516 C517 V520 L801	Y507-V512 HydrophobicContact CE1-CG2 3.58Å; Y509-V512 PolarHBondContact O-N 2.93Å; V512-G514 PolarHBondContact O-N 2.97Å; V512-T515 PolarHBondContact O-N 3.23Å; V512-T515 PolarHBondContact O-OG1 3.01Å; V512-T515 VanDerWaalsContact O-OG1 3.13Å; V512-C516 HydrophobicContact CG1-CB 4.23Å; V512-C516 PolarHBondContact O-N 3.14Å; V512-C517 HydrophobicContact CG1-CB 3.65Å; V512-C517 PolarHBondContact O-N 3.14Å; V512-V520 HydrophobicContact CG1-CG2 4.02Å; V512-L801 HydrophobicContact CG2-CD2 3.71Å
513	M	88.3	Confident	93.4	Very high	45 Å²	45	62.9 Å²	62.9	22%	0.222	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	132	-176	-66.4	-53.9	-58.6	0	0	111.6	E472 Y509 T515 V520	E472-M513 HydrophobicContact CB-CE 3.61Å; E472-M513 HydrophobicContact CB-CG 4Å; E472-M513 HydrophobicContact CB-SD 3.55Å; E472-M513 VanDerWaalsContact CB-SD 3.55Å; E472-M513 VanDerWaalsContact CD-CE 3.48Å; E472-M513 VanDerWaalsContact CD-SD 3.55Å; E472-M513 HydrophobicContact CG-CE 3.97Å; E472-M513 HydrophobicContact CG-SD 3.63Å; Y509-M513 WeakPolarHBondContact O-CG 2.9Å; Y509-M513 PolarHBondContact O-N 3.32Å; Y509-M513 VanDerWaalsContact O-N 3.09Å; M513-T515 PolarHBondContact O-N 3.46Å; M513-T515 VanDerWaalsContact O-N 3.12Å; M513-T515 PolarHBondContact O-OG1 3Å; M513-V520 HydrophobicContact SD-CG2 4.41Å
514	G	84.4	Confident	93.5	Very high	74 Å²	74	67.5 Å²	67.5	76%	0.763	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	9.2	177.4	0	0	0	0	0	115.1	V512	V512-G514 PolarHBondContact O-N 2.97Å
515	T	86.9	Confident	93.5	Very high	87 Å²	87	69.1 Å²	69.1	53%	0.534	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-45.6	-174.5	51.2	0	0	0	0	113.8	K511 V512 M513	K511-T515 PolarHBondContact O-OG1 3.12Å; V512-T515 PolarHBondContact O-N 3.23Å; V512-T515 PolarHBondContact O-OG1 3.01Å; V512-T515 VanDerWaalsContact O-OG1 3.13Å; M513-T515 PolarHBondContact O-N 3.46Å; M513-T515 VanDerWaalsContact O-N 3.12Å; M513-T515 PolarHBondContact O-OG1 3Å
516	C	90.7	Very high	93.6	Very high	47 Å²	47	67.8 Å²	67.8	32%	0.318	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-34.1	-171.7	-63.6	0	0	0	0	114.8	V512	V512-C516 HydrophobicContact CG1-CB 4.23Å; V512-C516 PolarHBondContact O-N 3.14Å
517	C	94.2	Very high	93.7	Very high	59 Å²	59	64.4 Å²	64.4	40%	0.399	37%	0.373	S	S	.	.			trans	-157.6	151.8	-177	-161.8	0	0	0	0	111.9	V512 V520	V512-C517 HydrophobicContact CG1-CB 3.65Å; V512-C517 PolarHBondContact O-N 3.14Å; C517-V520 HydrophobicContact CB-CG2 4.21Å
518	E	93.1	Very high	93.9	Very high	134 Å²	134	66.1 Å²	66.1	63%	0.626	39%	0.389	S	S	*	.	S	Bend	trans	-116.8	161.2	175.1	-55.3	74	-154.2	0	0	110.7	V520	E518-V520 PolarHBondContact O-N 3.37Å
519	N	94.1	Very high	94.1	Very high	93 Å²	93	64.1 Å²	64.1	50%	0.497	38%	0.384	S	S	.	.	S	Bend	trans	53.2	38.2	177.9	-62.1	-42.4	0	0	0	113.6	Y469 R485 I521	Y469-N519 WeakPolarHBondContact CB-OD1 3.24Å; R485-N519 VanDerWaalsContact NH1-CA 3.31Å; N519-I521 PolarHBondContact O-N 3.42Å
520	V	96.3	Very high	94.3	Very high	9 Å²	9	67.8 Å²	67.8	6%	0.055	41%	0.407	C	S	.	.			trans	-57.5	131.4	-177.4	-174.7	0	0	0	0	112.1	V482 R485 Y509 V512 M513 C517 E518	V482-V520 HydrophobicContact CG2-CB 4.17Å; V482-V520 HydrophobicContact CG2-CG1 4.06Å; R485-V520 PolarHBondContact NH1-O 3.47Å; Y509-V520 HydrophobicContact CD1-CG1 3.81Å; Y509-V520 HydrophobicContact CE1-CG1 3.42Å; Y509-V520 VanDerWaalsContact CE1-CG1 3.42Å; V512-V520 HydrophobicContact CG1-CG2 4.02Å; M513-V520 HydrophobicContact SD-CG2 4.41Å; C517-V520 HydrophobicContact CB-CG2 4.21Å; E518-V520 PolarHBondContact O-N 3.37Å
521	I	96.1	Very high	94.6	Very high	54 Å²	54	64 Å²	64	28%	0.277	38%	0.381	S	S	.	.			trans	-122.1	6.2	176.7	58	165.6	0	0	0	112.9	R485 R486 I489 L499 L502 N519	R485-I521 HydrophobicContact CG-CG2 4.13Å; R486-I521 WeakPolarHBondContact CD-O 3.2Å; R486-I521 HydrophobicContact CG-CB 4.11Å; R486-I521 WeakPolarHBondContact CG-O 3.36Å; R486-I521 PolarHBondContact NH1-O 3.43Å; I489-I521 HydrophobicContact CD1-CG2 3.57Å; L499-I521 HydrophobicContact CD2-CD1 4.26Å; L502-I521 HydrophobicContact CD2-CD1 3.81Å; L502-I521 HydrophobicContact CD2-CG1 3.92Å; N519-I521 PolarHBondContact O-N 3.42Å
522	G	96.7	Very high	94.7	Very high	15 Å²	15	61 Å²	61	16%	0.155	37%	0.372	C	S	.	.			trans	144.9	-162.4	-172.2	0	0	0	0	0	111.2	P503	P503-G522 CarbonylContact O-C 3.56Å; P503-G522 WeakPolarHBondContact O-CA 3.4Å
523	Y	97.1	Very high	94.9	Very high	81 Å²	81	62.8 Å²	62.8	32%	0.318	38%	0.384	S	S	.	.			trans	-139.7	159	173.4	60.5	-90.8	0	0	0	110.4	L502 P503 Y507	L502-Y523 WeakPolarHBondContact CD1-O 3.35Å; P503-Y523 HydrophobicContact CB-CE1 4.07Å; P503-Y523 HydrophobicContact CB-CE2 4.04Å; P503-Y523 WeakPolarHBondContact CD-O 3.47Å; P503-Y523 HydrophobicContact CG-CD2 4Å; P503-Y523 HydrophobicContact CG-CE1 4.33Å; P503-Y523 HydrophobicContact CG-CE2 3.62Å; P503-Y523 WeakPolarHBondContact CG-O 2.97Å; P503-Y523 PolarHBondContact O-N 3.5Å; Y507-Y523 AromaticContact CD2-CD1 3.8Å; Y507-Y523 HydrophobicContact CD2-CD1 3.8Å; Y507-Y523 HydrophobicContact CD2-CE1 4.09Å; Y507-Y523 HydrophobicContact CD2-CG 4.11Å; Y507-Y523 AromaticContact CG-CD1 3.83Å; Y507-Y523 HydrophobicContact CG-CD1 3.83Å; Y507-Y523 HydrophobicContact CG-CE1 4.13Å
524	I	97.8	Very high	95.3	Very high	138 Å²	138	62.3 Å²	62.3	71%	0.708	38%	0.383	S	S	*	.			trans	-105.4	114.2	179.6	-63.9	167.6	0	0	0	108.3	L502 V526	L502-I524 HydrophobicContact CD1-CG1 4.15Å; I524-V526 HydrophobicContact CG2-CG2 4.39Å; I524-V526 PolarHBondContact O-N 3.07Å
525	P	97.3	Very high	95.9	Very high	90 Å²	90	61.2 Å²	61.2	58%	0.584	36%	0.357	S	S	*	.			trans	-71	124.8	172.6	28.1	-31.6	0	0	0	109.9	P503	P503-P525 HydrophobicContact CG-CG 4.3Å
526	V	98.3	Very high	96.4	Very high	52 Å²	52	58.6 Å²	58.6	32%	0.315	34%	0.34	S	S	.	.			trans	-112.1	126.9	172.9	-176.5	0	0	0	0	108	I524 V528 A546	I524-V526 HydrophobicContact CG2-CG2 4.39Å; I524-V526 PolarHBondContact O-N 3.07Å; V526-V528 PolarHBondContact O-N 3.45Å; V526-A546 HydrophobicContact CG1-CB 3.99Å
527	P	98.5	Very high	96.7	Very high	81 Å²	81	60 Å²	60	53%	0.526	34%	0.344	S	S	.	.			trans	-57.2	132.3	178	-23.8	33.5	0	0	0	111.6	A546 T547	P527-A546 CarbonylContact O-C 3.58Å; P527-A546 VanDerWaalsContact O-CA 3.27Å; P527-A546 WeakPolarHBondContact O-CA 3.22Å; P527-T547 PolarHBondContact O-N 2.95Å
528	V	98.4	Very high	96.7	Very high	87 Å²	87	61.5 Å²	61.5	53%	0.527	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.9	176.9	-174.3	0	0	0	0	109.1	V526 P544 M545 A546	V526-V528 PolarHBondContact O-N 3.45Å; V528-P544 HydrophobicContact CG1-CB 4.3Å; V528-M545 WeakPolarHBondContact CA-O 3.34Å; V528-A546 HydrophobicContact CG2-CB 4.06Å
529	G	97.9	Very high	96.8	Very high	26 Å²	26	60 Å²	60	27%	0.268	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	172	169.6	0	0	0	0	0	111.9	M545	G529-M545 PolarHBondContact N-O 3Å; G529-M545 PolarHBondContact O-N 3.26Å
530	V	97.9	Very high	96.9	Very high	82 Å²	82	59.4 Å²	59.4	50%	0.497	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.2	175.2	62.5	0	0	0	0	110.1	Q542 V543 V553	V530-Q542 HydrophobicContact CG2-CB 3.91Å; V530-V543 WeakPolarHBondContact CA-O 3.47Å; V530-V553 WeakPolarHBondContact O-CG1 3.44Å
531	A	98	Very high	96.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.9	170.7	0	0	0	0	0	109.6	V543 M545 V553 T556 N557	A531-V543 PolarHBondContact N-O 3.01Å; A531-V543 WeakPolarHBondContact O-CB 3.38Å; A531-V543 PolarHBondContact O-N 3.02Å; A531-M545 HydrophobicContact CB-SD 3.94Å; A531-V553 HydrophobicContact CB-CG1 4.44Å; A531-T556 HydrophobicContact CB-CG2 3.89Å; A531-N557 HydrophobicContact CB-CB 4.13Å
532	G	94.7	Very high	96.9	Very high	17 Å²	17	60.8 Å²	60.8	18%	0.175	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-178.9	179.4	0	0	0	0	0	115.7	N557	G532-N557 PolarHBondContact N-OD1 3.22Å; G532-N557 PolarHBondContact O-OD1 3.01Å; G532-N557 VanDerWaalsContact O-OD1 3.1Å
533	P	95.8	Very high	97	Very high	47 Å²	47	60.5 Å²	60.5	31%	0.305	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-73.3	133.7	1.1	29.9	-34.1	0	0	0	112.1	Q540 F541	P533-Q540 HydrophobicContact CB-CB 4.19Å; P533-F541 WeakPolarHBondContact CA-O 3.32Å
534	L	97.5	Very high	97	Very high	36 Å²	36	57 Å²	57	19%	0.188	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.8	166.1	173.1	63.5	0	0	0	108.4	L536 Q540 F541 V543 I563	L534-L536 HydrophobicContact CG-CB 4.29Å; L534-Q540 CarbonylContact O-C 3.59Å; L534-Q540 WeakPolarHBondContact O-CA 3.37Å; L534-F541 HydrophobicContact CB-CB 4.37Å; L534-F541 PolarHBondContact N-O 3.27Å; L534-F541 PolarHBondContact O-N 3.46Å; L534-V543 HydrophobicContact CB-CG2 4.29Å; L534-V543 HydrophobicContact CD2-CG2 4.21Å; L534-I563 HydrophobicContact CD1-CD1 4.21Å; L534-I563 HydrophobicContact CD1-CG2 4.48Å
535	H	97.4	Very high	97	Very high	50 Å²	50	50.4 Å²	50.4	23%	0.231	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.1	174.3	-70	-165.5	0	0	0	109.2	K539 Q540 A564 G568 A569	H535-K539 CarbonylContact C-O 3.57Å; H535-K539 WeakPolarHBondContact CA-O 3.46Å; H535-Q540 PolarHBondContact NE2-NE2 2.94Å; H535-A564 HydrophobicContact CB-CB 4.42Å; H535-G568 WeakPolarHBondContact O-CA 3.27Å; H535-A569 PolarHBondContact O-N 3.29Å
536	L	97.3	Very high	97.1	Very high	32 Å²	32	46.3 Å²	46.3	17%	0.168	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.6	-176.1	178.5	66.5	0	0	0	109.9	L534 G538 K539 F541 A569	L534-L536 HydrophobicContact CG-CB 4.29Å; L536-G538 PolarHBondContact O-N 2.92Å; L536-K539 PolarHBondContact N-O 2.89Å; L536-K539 PolarHBondContact O-N 3.31Å; L536-F541 HydrophobicContact CB-CD2 4.04Å; L536-F541 HydrophobicContact CB-CE2 3.94Å; L536-F541 HydrophobicContact CD2-CE2 4.42Å; L536-F541 HydrophobicContact CG-CE2 4.48Å; L536-A569 WeakPolarHBondContact CA-O 3.38Å; L536-A569 HydrophobicContact CD1-CB 3.89Å
537	D	96.6	Very high	97.1	Very high	77 Å²	77	45.1 Å²	45.1	41%	0.412	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	40.5	176.5	-58.6	-44.2	0	0	0	113.5	K539 A569 S570 S571	D537-K539 PolarHBondContact O-N 2.88Å; D537-A569 PolarHBondContact N-O 2.91Å; D537-S570 VanDerWaalsContact OD1-CA 3.28Å; D537-S570 WeakPolarHBondContact OD1-CA 3.47Å; D537-S571 PolarHBondContact OD1-N 3.47Å; D537-S571 PolarHBondContact OD2-OG 3.19Å
538	G	94.5	Very high	97.1	Very high	90 Å²	90	47.3 Å²	47.3	93%	0.928	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	5.6	-178.2	0	0	0	0	0	115	L536	L536-G538 PolarHBondContact O-N 2.92Å
539	K	94.9	Very high	97.1	Very high	102 Å²	102	47.7 Å²	47.7	44%	0.443	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.2	178.6	-61.7	-177.1	177.4	-170.1	0	111.5	H535 L536 D537 F541 H814	H535-K539 CarbonylContact C-O 3.57Å; H535-K539 WeakPolarHBondContact CA-O 3.46Å; L536-K539 PolarHBondContact N-O 2.89Å; L536-K539 PolarHBondContact O-N 3.31Å; D537-K539 PolarHBondContact O-N 2.88Å; K539-F541 HydrophobicContact CB-CD2 4.47Å; K539-F541 HydrophobicContact CB-CE2 3.67Å; K539-F541 HydrophobicContact CB-CZ 3.82Å; K539-F541 HydrophobicContact CD-CZ 4.04Å; K539-H814 PolarHBondContact NZ-NE2 3.12Å
540	Q	95.9	Very high	97	Very high	81 Å²	81	49.3 Å²	49.3	38%	0.379	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.1	174.3	-57.8	-169.5	8.4	0	0	110.5	P533 L534 H535	P533-Q540 HydrophobicContact CB-CB 4.19Å; L534-Q540 CarbonylContact O-C 3.59Å; L534-Q540 WeakPolarHBondContact O-CA 3.37Å; H535-Q540 PolarHBondContact NE2-NE2 2.94Å
541	F	95.9	Very high	97	Very high	33 Å²	33	50.7 Å²	50.7	15%	0.145	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.6	-179.3	-60.6	-83.1	0	0	0	111.4	P533 L534 L536 K539 V543 H811 H814	P533-F541 WeakPolarHBondContact CA-O 3.32Å; L534-F541 HydrophobicContact CB-CB 4.37Å; L534-F541 PolarHBondContact N-O 3.27Å; L534-F541 PolarHBondContact O-N 3.46Å; L536-F541 HydrophobicContact CB-CD2 4.04Å; L536-F541 HydrophobicContact CB-CE2 3.94Å; L536-F541 HydrophobicContact CD2-CE2 4.42Å; L536-F541 HydrophobicContact CG-CE2 4.48Å; K539-F541 HydrophobicContact CB-CD2 4.47Å; K539-F541 HydrophobicContact CB-CE2 3.67Å; K539-F541 HydrophobicContact CB-CZ 3.82Å; K539-F541 HydrophobicContact CD-CZ 4.04Å; F541-V543 HydrophobicContact CB-CG2 4.49Å; F541-H811 WeakPolarHBondContact CD1-O 3.49Å; F541-H814 AromaticContact CE1-CE1 4Å
542	Q	97.1	Very high	97.1	Very high	59 Å²	59	51.1 Å²	51.1	28%	0.276	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.5	164	-62.6	-62.5	-11.4	0	0	107.9	V530 P544 V810	V530-Q542 HydrophobicContact CG2-CB 3.91Å; Q542-P544 VanDerWaalsContact O-CD 3.27Å; Q542-P544 WeakPolarHBondContact O-CD 3.46Å; Q542-V810 HydrophobicContact CB-CG1 4.12Å
543	V	97.7	Very high	97.2	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109.3	-171.7	-174.3	0	0	0	0	109.7	V530 A531 L534 F541 M545 I750	V530-V543 WeakPolarHBondContact CA-O 3.47Å; A531-V543 PolarHBondContact N-O 3.01Å; A531-V543 WeakPolarHBondContact O-CB 3.38Å; A531-V543 PolarHBondContact O-N 3.02Å; L534-V543 HydrophobicContact CB-CG2 4.29Å; L534-V543 HydrophobicContact CD2-CG2 4.21Å; F541-V543 HydrophobicContact CB-CG2 4.49Å; V543-M545 HydrophobicContact CG1-CG 4.3Å; V543-I750 HydrophobicContact CG1-CD1 3.71Å; V543-I750 HydrophobicContact CG1-CG1 3.84Å
544	P	98	Very high	97.4	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.039	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136	174.5	31	-34.6	0	0	0	110.6	V528 Q542 A753 C807	V528-P544 HydrophobicContact CG1-CB 4.3Å; Q542-P544 VanDerWaalsContact O-CD 3.27Å; Q542-P544 WeakPolarHBondContact O-CD 3.46Å; P544-A753 HydrophobicContact CB-CB 4.24Å; P544-C807 HydrophobicContact CB-CB 4.09Å; P544-C807 HydrophobicContact CG-CB 3.86Å
545	M	98.4	Very high	97.4	Very high	1 Å²	1	54 Å²	54	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	113.2	-176.2	-65.2	-176.2	74.5	0	0	110.2	V528 G529 A531 V543 L552 V553 T556 L746 A749 I750	V528-M545 WeakPolarHBondContact CA-O 3.34Å; G529-M545 PolarHBondContact N-O 3Å; G529-M545 PolarHBondContact O-N 3.26Å; A531-M545 HydrophobicContact CB-SD 3.94Å; V543-M545 HydrophobicContact CG1-CG 4.3Å; M545-L552 HydrophobicContact CE-CD1 4.37Å; M545-L552 HydrophobicContact CE-CD2 4.16Å; M545-L552 HydrophobicContact CE-CG 3.94Å; M545-V553 HydrophobicContact CB-CG2 4.01Å; M545-V553 HydrophobicContact SD-CG2 4.42Å; M545-T556 HydrophobicContact CE-CG2 4.27Å; M545-T556 HydrophobicContact SD-CG2 3.82Å; M545-L746 HydrophobicContact CE-CG 4.44Å; M545-A749 HydrophobicContact CB-CB 4.04Å; M545-A749 HydrophobicContact CE-CB 3.88Å; M545-A749 HydrophobicContact CG-CB 4.49Å; M545-I750 HydrophobicContact CG-CG1 4.38Å
546	A	98.6	Very high	97.5	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.7	177.1	0	0	0	0	0	110.1	V526 P527 V528 A749 I752 A753	V526-A546 HydrophobicContact CG1-CB 3.99Å; P527-A546 CarbonylContact O-C 3.58Å; P527-A546 VanDerWaalsContact O-CA 3.27Å; P527-A546 WeakPolarHBondContact O-CA 3.22Å; V528-A546 HydrophobicContact CG2-CB 4.06Å; A546-A749 PolarHBondContact N-O 3.06Å; A546-A749 VanDerWaalsContact O-CA 3.31Å; A546-A749 WeakPolarHBondContact O-CA 3.35Å; A546-I752 HydrophobicContact CB-CB 3.97Å; A546-I752 HydrophobicContact CB-CG2 3.64Å; A546-A753 HydrophobicContact CB-CB 3.85Å
547	T	98.4	Very high	97.5	Very high	27 Å²	27	54.1 Å²	54.1	17%	0.166	34%	0.342	C	S	.	.			trans	-156.7	155.3	-175.4	-171.2	0	0	0	0	112.4	P527 E549 L552 V553	P527-T547 PolarHBondContact O-N 2.95Å; T547-E549 WeakPolarHBondContact OG1-CB 3.38Å; T547-E549 PolarHBondContact OG1-N 3.04Å; T547-L552 HydrophobicContact CG2-CB 4.39Å; T547-L552 HydrophobicContact CG2-CD2 4.04Å; T547-V553 HydrophobicContact CG2-CG2 3.85Å
548	T	98.3	Very high	97.6	Very high	126 Å²	126	55.4 Å²	55.4	77%	0.773	34%	0.341	S	S	*	.			trans	-108.4	-2.4	167.1	54	0	0	0	0	112.3	G550	T548-G550 PolarHBondContact O-N 3.46Å
549	E	98.1	Very high	97.8	Very high	95 Å²	95	52.4 Å²	52.4	44%	0.444	31%	0.31	S	S	.	.	S	Bend	trans	-76.1	117.5	177	-171.9	-176.2	-160.9	0	0	110.4	T547 L552 N745	T547-E549 WeakPolarHBondContact OG1-CB 3.38Å; T547-E549 PolarHBondContact OG1-N 3.04Å; E549-L552 HydrophobicContact CB-CB 4.31Å; E549-L552 HydrophobicContact CG-CB 4.45Å; E549-N745 PolarHBondContact OE1-ND2 3.37Å; E549-N745 PolarHBondContact OE2-ND2 3.13Å
550	G	97.1	Very high	98	Very high	61 Å²	61	48 Å²	48	63%	0.629	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	148.1	174.4	0	0	0	0	0	111.9	T548 L552	T548-G550 PolarHBondContact O-N 3.46Å; G550-L552 PolarHBondContact O-N 3.02Å
551	C	97.8	Very high	98.1	Very high	110 Å²	110	51 Å²	51	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-11.7	178.8	-57.3	0	0	0	0	116.9	A554 S555	C551-A554 PolarHBondContact O-N 3.14Å; C551-S555 VanDerWaalsContact O-CB 3.28Å; C551-S555 WeakPolarHBondContact O-CB 3.3Å; C551-S555 PolarHBondContact O-N 3.32Å
552	L	98.4	Very high	98.2	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-57.5	-178.7	176.7	59.6	0	0	0	111.9	M545 T547 E549 G550 A554 S555 T556 N745 L746 A749	M545-L552 HydrophobicContact CE-CD1 4.37Å; M545-L552 HydrophobicContact CE-CD2 4.16Å; M545-L552 HydrophobicContact CE-CG 3.94Å; T547-L552 HydrophobicContact CG2-CB 4.39Å; T547-L552 HydrophobicContact CG2-CD2 4.04Å; E549-L552 HydrophobicContact CB-CB 4.31Å; E549-L552 HydrophobicContact CG-CB 4.45Å; G550-L552 PolarHBondContact O-N 3.02Å; L552-A554 VanDerWaalsContact C-N 3.31Å; L552-A554 PolarHBondContact O-N 2.85Å; L552-S555 PolarHBondContact O-N 3.33Å; L552-T556 PolarHBondContact O-N 3.25Å; L552-T556 PolarHBondContact O-OG1 3.34Å; L552-N745 HydrophobicContact CD1-CB 3.77Å; L552-N745 HydrophobicContact CD2-CB 4.11Å; L552-L746 HydrophobicContact CD1-CD1 4.34Å; L552-A749 HydrophobicContact CD2-CB 4.1Å
553	V	98.5	Very high	98.3	Very high	30 Å²	30	48.5 Å²	48.5	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-41.4	-179.1	-177.3	0	0	0	0	111.2	V530 A531 M545 T547 S555 T556 N557	V530-V553 WeakPolarHBondContact O-CG1 3.44Å; A531-V553 HydrophobicContact CB-CG1 4.44Å; M545-V553 HydrophobicContact CB-CG2 4.01Å; M545-V553 HydrophobicContact SD-CG2 4.42Å; T547-V553 HydrophobicContact CG2-CG2 3.85Å; V553-S555 PolarHBondContact O-N 3.44Å; V553-T556 PolarHBondContact O-N 2.75Å; V553-N557 VanDerWaalsContact O-CB 3.25Å; V553-N557 WeakPolarHBondContact O-CB 3.37Å; V553-N557 PolarHBondContact O-N 3.36Å
554	A	98.3	Very high	98.3	Very high	67 Å²	67	49 Å²	49	55%	0.554	29%	0.294	S	S	*	.	H	α-helix	trans	-64	-41	178.6	0	0	0	0	0	112.2	C551 L552 N557 R558	C551-A554 PolarHBondContact O-N 3.14Å; L552-A554 VanDerWaalsContact C-N 3.31Å; L552-A554 PolarHBondContact O-N 2.85Å; A554-N557 PolarHBondContact O-N 2.85Å; A554-R558 PolarHBondContact O-N 2.71Å
555	S	98.5	Very high	98.3	Very high	63 Å²	63	52.4 Å²	52.4	44%	0.441	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-47	176.2	-171.3	0	0	0	0	111.4	C551 L552 V553 N557 R558 G559	C551-S555 VanDerWaalsContact O-CB 3.28Å; C551-S555 WeakPolarHBondContact O-CB 3.3Å; C551-S555 PolarHBondContact O-N 3.32Å; L552-S555 PolarHBondContact O-N 3.33Å; V553-S555 PolarHBondContact O-N 3.44Å; S555-N557 VanDerWaalsContact C-N 3.32Å; S555-N557 PolarHBondContact O-N 3.07Å; S555-R558 WeakPolarHBondContact O-CB 3.44Å; S555-R558 PolarHBondContact O-N 3.13Å; S555-G559 PolarHBondContact O-N 2.97Å
556	T	98.7	Very high	98.2	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.135	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-40.6	175.9	-58.1	0	0	0	0	111.6	A531 M545 L552 V553 R558 G559 C560 L746	A531-T556 HydrophobicContact CB-CG2 3.89Å; M545-T556 HydrophobicContact CE-CG2 4.27Å; M545-T556 HydrophobicContact SD-CG2 3.82Å; L552-T556 PolarHBondContact O-N 3.25Å; L552-T556 PolarHBondContact O-OG1 3.34Å; V553-T556 PolarHBondContact O-N 2.75Å; T556-R558 VanDerWaalsContact C-N 3.34Å; T556-R558 PolarHBondContact O-N 2.76Å; T556-G559 PolarHBondContact O-N 2.98Å; T556-G559 VanDerWaalsContact O-N 3.15Å; T556-C560 PolarHBondContact O-N 3.09Å; T556-C560 PolarHBondContact O-SG 3.46Å; T556-L746 HydrophobicContact CG2-CD2 4.27Å
557	N	98.6	Very high	98.1	Very high	64 Å²	64	57.3 Å²	57.3	34%	0.342	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-39.3	176.2	-167.9	62.8	0	0	0	112.4	A531 G532 V553 A554 S555 G559 C560 R561	A531-N557 HydrophobicContact CB-CB 4.13Å; G532-N557 PolarHBondContact N-OD1 3.22Å; G532-N557 PolarHBondContact O-OD1 3.01Å; G532-N557 VanDerWaalsContact O-OD1 3.1Å; V553-N557 VanDerWaalsContact O-CB 3.25Å; V553-N557 WeakPolarHBondContact O-CB 3.37Å; V553-N557 PolarHBondContact O-N 3.36Å; A554-N557 PolarHBondContact O-N 2.85Å; S555-N557 VanDerWaalsContact C-N 3.32Å; S555-N557 PolarHBondContact O-N 3.07Å; N557-G559 VanDerWaalsContact C-N 3.33Å; N557-G559 PolarHBondContact O-N 3.48Å; N557-C560 PolarHBondContact O-N 3.37Å; N557-R561 PolarHBondContact O-N 3.15Å
558	R	98.6	Very high	98	Very high	104 Å²	104	56.7 Å²	56.7	39%	0.392	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-38.8	172.8	-177.6	-176	-179.6	-163.1	-1	112	A554 S555 T556 R561 A562 V710 L711	A554-R558 PolarHBondContact O-N 2.71Å; S555-R558 WeakPolarHBondContact O-CB 3.44Å; S555-R558 PolarHBondContact O-N 3.13Å; T556-R558 VanDerWaalsContact C-N 3.34Å; T556-R558 PolarHBondContact O-N 2.76Å; R558-R561 WeakPolarHBondContact O-CB 3.33Å; R558-R561 PolarHBondContact O-N 3Å; R558-A562 PolarHBondContact O-N 3.17Å; R558-A562 VanDerWaalsContact O-N 3.11Å; R558-V710 HydrophobicContact CG-CG1 4Å; R558-V710 PolarHBondContact NE-O 2.89Å; R558-V710 PolarHBondContact NH2-O 3.45Å; R558-L711 VanDerWaalsContact NH2-CA 3.28Å; R558-L711 PolarHBondContact NH2-O 2.7Å
559	G	98.4	Very high	98	Very high	27 Å²	27	51 Å²	51	28%	0.278	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-47.8	172.3	0	0	0	0	0	112.4	S555 T556 N557 R561 A562 I563	S555-G559 PolarHBondContact O-N 2.97Å; T556-G559 PolarHBondContact O-N 2.98Å; T556-G559 VanDerWaalsContact O-N 3.15Å; N557-G559 VanDerWaalsContact C-N 3.33Å; N557-G559 PolarHBondContact O-N 3.48Å; G559-R561 VanDerWaalsContact C-N 3.26Å; G559-R561 PolarHBondContact O-N 2.67Å; G559-A562 PolarHBondContact O-N 2.9Å; G559-A562 VanDerWaalsContact O-N 3.11Å; G559-I563 WeakPolarHBondContact O-CG1 3.26Å; G559-I563 PolarHBondContact O-N 3.22Å
560	C	98.5	Very high	98.1	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.054	32%	0.324	C	S	.	.	H	α-helix	trans	-56.4	-42	174.9	-63	0	0	0	0	111.4	T556 N557 A562 I563 A564	T556-C560 PolarHBondContact O-N 3.09Å; T556-C560 PolarHBondContact O-SG 3.46Å; N557-C560 PolarHBondContact O-N 3.37Å; C560-A562 PolarHBondContact O-N 3.43Å; C560-I563 PolarHBondContact O-N 3.28Å; C560-A564 VanDerWaalsContact O-CB 3.32Å; C560-A564 WeakPolarHBondContact O-CB 3.44Å; C560-A564 PolarHBondContact O-N 2.78Å
561	R	98.4	Very high	98.1	Very high	144 Å²	144	49 Å²	49	54%	0.543	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-43	176.1	180	59.3	174.7	177.1	1.3	112.7	N557 R558 G559 L565 V710	N557-R561 PolarHBondContact O-N 3.15Å; R558-R561 WeakPolarHBondContact O-CB 3.33Å; R558-R561 PolarHBondContact O-N 3Å; G559-R561 VanDerWaalsContact C-N 3.26Å; G559-R561 PolarHBondContact O-N 2.67Å; R561-L565 HydrophobicContact CG-CD1 4.14Å; R561-L565 WeakPolarHBondContact O-CB 3.46Å; R561-L565 WeakPolarHBondContact O-CG 3.43Å; R561-L565 PolarHBondContact O-N 2.87Å; R561-V710 HydrophobicContact CG-CG1 4.33Å
562	A	98.5	Very high	98.1	Very high	3 Å²	3	47 Å²	47	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-41.6	179	0	0	0	0	0	112	R558 G559 C560 S566 I702 V706 V710 L711	R558-A562 PolarHBondContact O-N 3.17Å; R558-A562 VanDerWaalsContact O-N 3.11Å; G559-A562 PolarHBondContact O-N 2.9Å; G559-A562 VanDerWaalsContact O-N 3.11Å; C560-A562 PolarHBondContact O-N 3.43Å; A562-S566 PolarHBondContact O-N 3.14Å; A562-S566 PolarHBondContact O-OG 3.39Å; A562-I702 HydrophobicContact CB-CG2 4.36Å; A562-V706 HydrophobicContact CB-CG1 3.79Å; A562-V710 HydrophobicContact CB-CG1 4.17Å; A562-L711 HydrophobicContact CB-CD2 3.91Å; A562-L711 HydrophobicContact CB-CG 4.21Å
563	I	98.6	Very high	98.1	Very high	38 Å²	38	51.4 Å²	51.4	20%	0.195	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-51	175.7	-67.8	166.6	0	0	0	110.5	L534 G559 C560 L565 S566 G567 G568 A569 I702	L534-I563 HydrophobicContact CD1-CD1 4.21Å; L534-I563 HydrophobicContact CD1-CG2 4.48Å; G559-I563 WeakPolarHBondContact O-CG1 3.26Å; G559-I563 PolarHBondContact O-N 3.22Å; C560-I563 PolarHBondContact O-N 3.28Å; I563-L565 VanDerWaalsContact C-N 3.34Å; I563-L565 PolarHBondContact O-N 3.4Å; I563-S566 CarbonylContact O-C 3.58Å; I563-S566 PolarHBondContact O-N 3.12Å; I563-G567 PolarHBondContact O-N 2.92Å; I563-G568 PolarHBondContact O-N 3.44Å; I563-A569 HydrophobicContact CG2-CB 3.86Å; I563-I702 HydrophobicContact CG1-CD1 4.03Å
564	A	97.6	Very high	98.1	Very high	19 Å²	19	55 Å²	55	16%	0.157	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-41.5	-178.3	0	0	0	0	0	112.7	H535 C560 S566 G567	H535-A564 HydrophobicContact CB-CB 4.42Å; C560-A564 VanDerWaalsContact O-CB 3.32Å; C560-A564 WeakPolarHBondContact O-CB 3.44Å; C560-A564 PolarHBondContact O-N 2.78Å; A564-S566 PolarHBondContact O-N 3.25Å; A564-G567 PolarHBondContact O-N 2.94Å
565	L	97.9	Very high	98.1	Very high	79 Å²	79	53.7 Å²	53.7	41%	0.414	33%	0.326	S	S	.	.	H	α-helix	trans	-68.6	-17.2	177	-75.2	176.9	0	0	0	113.9	R561 I563 V706 V710	R561-L565 HydrophobicContact CG-CD1 4.14Å; R561-L565 WeakPolarHBondContact O-CB 3.46Å; R561-L565 WeakPolarHBondContact O-CG 3.43Å; R561-L565 PolarHBondContact O-N 2.87Å; I563-L565 VanDerWaalsContact C-N 3.34Å; I563-L565 PolarHBondContact O-N 3.4Å; L565-V706 HydrophobicContact CB-CG1 4.4Å; L565-V706 HydrophobicContact CB-CG2 3.82Å; L565-V706 HydrophobicContact CD1-CG2 4.37Å; L565-V710 HydrophobicContact CD1-CG2 3.86Å
566	S	97.1	Very high	98	Very high	30 Å²	30	52.7 Å²	52.7	21%	0.21	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	17.4	-178	-48.9	0	0	0	0	113.1	A562 I563 A564 T701 S703	A562-S566 PolarHBondContact O-N 3.14Å; A562-S566 PolarHBondContact O-OG 3.39Å; I563-S566 CarbonylContact O-C 3.58Å; I563-S566 PolarHBondContact O-N 3.12Å; A564-S566 PolarHBondContact O-N 3.25Å; S566-T701 WeakPolarHBondContact CB-O 3.36Å; S566-S703 PolarHBondContact OG-N 3Å
567	G	95.1	Very high	97.9	Very high	77 Å²	77	51.7 Å²	51.7	79%	0.794	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	-0.4	174.6	0	0	0	0	0	115.2	I563 A564	I563-G567 PolarHBondContact O-N 2.92Å; A564-G567 PolarHBondContact O-N 2.94Å
568	G	97.7	Very high	97.9	Very high	15 Å²	15	48.7 Å²	48.7	16%	0.155	29%	0.293	C	S	.	.			trans	95.6	178.7	179.7	0	0	0	0	0	114	H535 I563	H535-G568 WeakPolarHBondContact O-CA 3.27Å; I563-G568 PolarHBondContact O-N 3.44Å
569	A	98.4	Very high	97.9	Very high	7 Å²	7	43.8 Å²	43.8	6%	0.058	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-110.8	159.7	175.3	0	0	0	0	0	110.8	H535 L536 D537 I563 E699 A700	H535-A569 PolarHBondContact O-N 3.29Å; L536-A569 WeakPolarHBondContact CA-O 3.38Å; L536-A569 HydrophobicContact CD1-CB 3.89Å; D537-A569 PolarHBondContact N-O 2.91Å; I563-A569 HydrophobicContact CG2-CB 3.86Å; A569-E699 VanDerWaalsContact CA-O 3.28Å; A569-E699 WeakPolarHBondContact CA-O 3.48Å; A569-E699 WeakPolarHBondContact CB-O 3.42Å; A569-A700 HydrophobicContact CB-CB 4.07Å
570	S	98.6	Very high	97.9	Very high	66 Å²	66	43.5 Å²	43.5	46%	0.462	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.5	171.3	-56.5	0	0	0	0	110	D537 C698 E699	D537-S570 VanDerWaalsContact OD1-CA 3.28Å; D537-S570 WeakPolarHBondContact OD1-CA 3.47Å; S570-C698 CarbonylContact O-C 3.51Å; S570-C698 WeakPolarHBondContact O-CA 3.26Å; S570-C698 PolarHBondContact O-SG 3.37Å; S570-E699 PolarHBondContact N-O 2.99Å; S570-E699 PolarHBondContact O-N 3.34Å
571	S	98.2	Very high	97.9	Very high	46 Å²	46	43.1 Å²	43.1	32%	0.322	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.6	177.7	74.9	0	0	0	0	113.7	D537 V697	D537-S571 PolarHBondContact OD1-N 3.47Å; D537-S571 PolarHBondContact OD2-OG 3.19Å; S571-V697 CarbonylContact C-O 3.27Å; S571-V697 WeakPolarHBondContact CA-O 3.49Å; S571-V697 WeakPolarHBondContact CB-O 3.49Å
572	C	98.3	Very high	97.9	Very high	70 Å²	70	36.3 Å²	36.3	47%	0.473	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.5	176.8	-172.7	0	0	0	0	111.1	A696 V697	C572-A696 WeakPolarHBondContact O-CA 3.43Å; C572-V697 HydrophobicContact CB-CG1 4.19Å; C572-V697 PolarHBondContact N-O 2.96Å; C572-V697 PolarHBondContact O-N 3.46Å
573	I	98.1	Very high	97.9	Very high	100 Å²	100	36.8 Å²	36.8	51%	0.513	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.2	170.2	-56.6	-58	0	0	0	108.5	A575 S695 A696	I573-A575 WeakPolarHBondContact CG2-O 3.18Å; I573-S695 CarbonylContact C-O 3.56Å; I573-S695 WeakPolarHBondContact CA-O 3.37Å; I573-A696 HydrophobicContact CD1-CB 3.82Å
574	L	97.9	Very high	97.9	Very high	107 Å²	107	35 Å²	35	56%	0.56	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	-35.1	-176.9	-54.8	177.6	0	0	0	112.1	S695 V697	L574-S695 PolarHBondContact N-O 3Å; L574-V697 HydrophobicContact CD1-CB 4.25Å; L574-V697 HydrophobicContact CD1-CG1 4.1Å; L574-V697 HydrophobicContact CD2-CG1 3.97Å; L574-V697 HydrophobicContact CG-CG1 4.15Å
575	A	97.6	Very high	97.9	Very high	39 Å²	39	37.5 Å²	37.5	32%	0.322	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.8	178.4	0	0	0	0	0	111.2	I573 K694 S695	I573-A575 WeakPolarHBondContact CG2-O 3.18Å; A575-K694 WeakPolarHBondContact O-CA 3.35Å; A575-S695 PolarHBondContact N-O 3.39Å; A575-S695 PolarHBondContact O-N 3.24Å
576	D	97.6	Very high	97.9	Very high	42 Å²	42	34 Å²	34	23%	0.225	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	109.8	175.1	-179.9	11.8	0	0	0	109.3	Q622 G693 K694	D576-Q622 PolarHBondContact O-NE2 3.39Å; D576-Q622 PolarHBondContact O-OE1 2.93Å; D576-Q622 VanDerWaalsContact O-OE1 3.09Å; D576-G693 WeakPolarHBondContact CA-O 3.41Å; D576-K694 HydrophobicContact CB-CD 3.87Å; D576-K694 VanDerWaalsContact CG-CD 3.48Å; D576-K694 WeakPolarHBondContact OD1-CD 3.45Å; D576-K694 WeakPolarHBondContact OD1-CE 3.44Å; D576-K694 WeakPolarHBondContact OD2-CE 3.45Å
577	G	97	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	116	174.3	0	0	0	0	0	112.5	Q638 C639 G693	G577-Q638 PolarHBondContact O-NE2 3.24Å; G577-C639 CarbonylContact C-O 3.59Å; G577-C639 VanDerWaalsContact CA-O 3.31Å; G577-C639 WeakPolarHBondContact CA-O 3.25Å; G577-G693 PolarHBondContact N-O 3.34Å; G577-G693 PolarHBondContact O-N 2.87Å
578	M	98.1	Very high	98.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	156.6	170.3	-174.4	48.7	64.7	0	0	110.2	Q638 C639 T641 M645 M647 I650 R692 E791	M578-Q638 WeakPolarHBondContact O-CA 3.31Å; M578-C639 PolarHBondContact N-O 3.47Å; M578-C639 PolarHBondContact O-N 3.37Å; M578-T641 HydrophobicContact CB-CG2 3.97Å; M578-M645 HydrophobicContact CE-CG 4.06Å; M578-M645 WeakPolarHBondContact CE-O 3.4Å; M578-M645 HydrophobicContact CE-SD 3.61Å; M578-M645 WeakPolarHBondContact CG-O 3.41Å; M578-M645 HydrophobicContact SD-SD 4.48Å; M578-M647 HydrophobicContact CG-SD 3.75Å; M578-M647 HydrophobicContact SD-SD 3.54Å; M578-I650 VanDerWaalsContact C-CD1 3.44Å; M578-I650 HydrophobicContact CB-CD1 4.41Å; M578-I650 HydrophobicContact CG-CD1 4.45Å; M578-I650 HydrophobicContact CG-CG2 4.23Å; M578-I650 WeakPolarHBondContact O-CD1 3.26Å; M578-R692 HydrophobicContact SD-CG 4.18Å; M578-R692 PolarHBondContact SD-NH2 2.88Å; M578-E791 HydrophobicContact CE-CB 4.01Å; M578-E791 HydrophobicContact CE-CG 3.96Å
579	T	98.3	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.1	-176.4	66.6	0	0	0	0	115.1	R636 F637 Q638 I650 C678 R692	T579-R636 HydrophobicContact CG2-CG 4.39Å; T579-F637 CarbonylContact C-O 3.54Å; T579-F637 WeakPolarHBondContact CA-O 3.43Å; T579-F637 WeakPolarHBondContact CB-O 3.4Å; T579-Q638 HydrophobicContact CG2-CB 3.98Å; T579-Q638 HydrophobicContact CG2-CG 3.96Å; T579-I650 VanDerWaalsContact C-CD1 3.46Å; T579-I650 VanDerWaalsContact CA-CD1 3.44Å; T579-C678 PolarHBondContact OG1-O 3.41Å; T579-R692 HydrophobicContact CG2-CG 4.27Å; T579-R692 WeakPolarHBondContact OG1-CD 3.45Å; T579-R692 WeakPolarHBondContact OG1-CG 3.49Å; T579-R692 PolarHBondContact OG1-NE 3.22Å
580	R	98.4	Very high	98.1	Very high	22 Å²	22	40.8 Å²	40.8	8%	0.083	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.2	166.6	-178	61.8	65.4	-161.6	3.8	108.9	P582 F637 M647 I650 S651 T654 V673	R580-P582 WeakPolarHBondContact O-CD 3.36Å; R580-F637 PolarHBondContact N-O 3.38Å; R580-F637 PolarHBondContact O-N 2.91Å; R580-M647 VanDerWaalsContact CZ-CE 3.42Å; R580-M647 PolarHBondContact NH2-O 3.39Å; R580-I650 HydrophobicContact CB-CD1 4.22Å; R580-I650 HydrophobicContact CB-CG1 3.76Å; R580-I650 HydrophobicContact CB-CG2 4.1Å; R580-S651 VanDerWaalsContact CZ-OG 3.3Å; R580-S651 PolarHBondContact NE-OG 2.92Å; R580-S651 PolarHBondContact NH2-OG 3.34Å; R580-T654 HydrophobicContact CG-CG2 4Å; R580-V673 VanDerWaalsContact CD-O 3.31Å; R580-V673 WeakPolarHBondContact CD-O 3.44Å; R580-V673 HydrophobicContact CG-CG1 4.35Å
581	G	98	Very high	98.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.			trans	-122.1	80.3	-176	0	0	0	0	0	112.4	I635 G675 C678	G581-I635 WeakPolarHBondContact CA-O 3.27Å; G581-G675 WeakPolarHBondContact O-CA 3.38Å; G581-G675 PolarHBondContact O-N 3.33Å; G581-C678 PolarHBondContact N-SG 2.96Å
582	P	98.5	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.			trans	-62	160.5	170.9	26.2	-39.6	0	0	0	113	R580 Y634 I635 F637 T654 L658 A672 V673	R580-P582 WeakPolarHBondContact O-CD 3.36Å; P582-Y634 WeakPolarHBondContact O-CA 3.44Å; P582-I635 WeakPolarHBondContact CD-O 3.43Å; P582-I635 HydrophobicContact CG-CB 4.33Å; P582-I635 WeakPolarHBondContact CG-O 3.48Å; P582-I635 PolarHBondContact O-N 3.27Å; P582-I635 VanDerWaalsContact O-N 3.16Å; P582-F637 HydrophobicContact CG-CD2 3.98Å; P582-F637 HydrophobicContact CG-CE2 3.6Å; P582-T654 HydrophobicContact CB-CG2 4.31Å; P582-T654 HydrophobicContact CG-CG2 3.69Å; P582-L658 HydrophobicContact CB-CD1 3.79Å; P582-L658 HydrophobicContact CB-CD2 4.45Å; P582-L658 HydrophobicContact CG-CD1 4.11Å; P582-L658 HydrophobicContact CG-CD2 4.17Å; P582-A672 VanDerWaalsContact CA-O 3.27Å; P582-A672 WeakPolarHBondContact CA-O 3.47Å; P582-A672 WeakPolarHBondContact CB-O 3.17Å; P582-V673 WeakPolarHBondContact CA-O 3.16Å; P582-V673 WeakPolarHBondContact CB-O 3.5Å
583	V	98.6	Very high	98.1	Very high	13 Å²	13	38 Å²	38	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.8	166	55.1	0	0	0	0	109.2	N632 L633 Y634 V671 A672	V583-N632 HydrophobicContact CG2-CB 4.25Å; V583-L633 WeakPolarHBondContact CA-O 3.16Å; V583-Y634 HydrophobicContact CB-CD1 3.78Å; V583-Y634 HydrophobicContact CB-CE1 3.68Å; V583-Y634 HydrophobicContact CG2-CD1 3.98Å; V583-Y634 HydrophobicContact CG2-CE1 3.6Å; V583-Y634 HydrophobicContact CG2-CE2 4.37Å; V583-V671 HydrophobicContact CG1-CB 4.08Å; V583-V671 HydrophobicContact CG1-CG1 4.25Å; V583-V671 PolarHBondContact O-N 2.93Å; V583-A672 HydrophobicContact CG1-CB 4.02Å; V583-A672 PolarHBondContact N-O 3.13Å; V583-A672 PolarHBondContact O-N 3.46Å
584	V	98.6	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	159.3	175.5	-53.9	0	0	0	0	109.4	L586 N632 L633 I635 L658 L668 Q669 V670	V584-L586 HydrophobicContact CG2-CD1 4.39Å; V584-N632 CarbonylContact O-C 3.42Å; V584-N632 WeakPolarHBondContact O-CA 3.46Å; V584-L633 HydrophobicContact CG2-CB 3.68Å; V584-L633 HydrophobicContact CG2-CD2 4.24Å; V584-L633 HydrophobicContact CG2-CG 4.45Å; V584-L633 PolarHBondContact N-O 3.4Å; V584-L633 PolarHBondContact O-N 3.17Å; V584-I635 HydrophobicContact CG2-CD1 4.05Å; V584-L658 HydrophobicContact CG1-CD2 3.77Å; V584-L668 HydrophobicContact CB-CD1 4.26Å; V584-L668 HydrophobicContact CB-CD2 3.84Å; V584-L668 HydrophobicContact CB-CG 4.01Å; V584-L668 HydrophobicContact CG1-CD2 3.92Å; V584-L668 HydrophobicContact CG2-CD1 3.93Å; V584-L668 HydrophobicContact CG2-CD2 4.41Å; V584-L668 HydrophobicContact CG2-CG 4.19Å; V584-Q669 CarbonylContact C-O 3.58Å; V584-Q669 VanDerWaalsContact CA-O 3.3Å; V584-Q669 WeakPolarHBondContact CA-O 3.26Å; V584-V670 HydrophobicContact CG1-CG2 4.29Å
585	R	98.4	Very high	98.1	Very high	73 Å²	73	32.7 Å²	32.7	28%	0.275	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.4	-172.7	174.8	-176.2	-73.3	161.8	2.9	110.4	R631 N632 Q669 V671	R585-R631 VanDerWaalsContact CD-CZ 3.48Å; R585-R631 VanDerWaalsContact CD-NH1 3.34Å; R585-R631 HydrophobicContact CG-CG 4.26Å; R585-R631 VanDerWaalsContact CG-NH1 3.34Å; R585-N632 PolarHBondContact NE-OD1 3.25Å; R585-Q669 HydrophobicContact CB-CB 4.47Å; R585-Q669 PolarHBondContact N-O 3Å; R585-Q669 PolarHBondContact O-N 3.22Å; R585-V671 HydrophobicContact CB-CG2 3.65Å
586	L	98.4	Very high	98.1	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	19%	0.19	C	C	.	.			trans	-118	169.7	178.4	-73.3	93.5	0	0	0	111.5	V584 S588 K591 A592 V595 R631 L668	V584-L586 HydrophobicContact CG2-CD1 4.39Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.39Å; L586-K591 HydrophobicContact CB-CB 4.15Å; L586-K591 HydrophobicContact CD2-CB 3.9Å; L586-A592 HydrophobicContact CB-CB 4.37Å; L586-A592 HydrophobicContact CD1-CB 4.14Å; L586-V595 HydrophobicContact CD2-CB 4.36Å; L586-V595 HydrophobicContact CD2-CG2 3.42Å; L586-V595 VanDerWaalsContact CD2-CG2 3.42Å; L586-R631 PolarHBondContact N-O 2.66Å; L586-R631 WeakPolarHBondContact O-CB 3.31Å; L586-R631 VanDerWaalsContact O-CD 3.32Å; L586-R631 WeakPolarHBondContact O-CD 3.27Å; L586-R631 WeakPolarHBondContact O-CG 3.47Å; L586-R631 PolarHBondContact O-NH1 2.93Å; L586-L668 HydrophobicContact CD1-CD1 4.26Å; L586-L668 HydrophobicContact CD1-CG 4.41Å
587	P	98.1	Very high	98.1	Very high	74 Å²	74	34.2 Å²	34.2	48%	0.481	20%	0.203	S	C	.	.	S	Bend	trans	-61.7	-37.5	177.5	-26.4	36.1	0	0	0	113.2	E667	P587-E667 HydrophobicContact CG-CB 3.82Å; P587-E667 HydrophobicContact CG-CG 4.41Å
588	S	98.1	Very high	98.2	Very high	47 Å²	47	37 Å²	37	33%	0.329	21%	0.213	S	C	.	.	S	Bend	trans	-140.3	161.4	-178.3	74.2	0	0	0	0	112.6	L586 C590 K591 A592	L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.39Å; S588-C590 VanDerWaalsContact C-N 3.26Å; S588-C590 PolarHBondContact O-N 3.3Å; S588-K591 PolarHBondContact O-N 2.91Å; S588-K591 PolarHBondContact OG-N 3.44Å; S588-A592 PolarHBondContact O-N 2.96Å
589	A	98	Very high	98.2	Very high	47 Å²	47	37 Å²	37	39%	0.388	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-33.6	174.1	0	0	0	0	0	112.1	K591 A592 A593 G630	A589-K591 VanDerWaalsContact C-N 3.34Å; A589-K591 PolarHBondContact O-N 2.9Å; A589-A592 PolarHBondContact O-N 2.97Å; A589-A593 PolarHBondContact O-N 2.88Å; A589-G630 WeakPolarHBondContact CA-O 3.29Å; A589-G630 WeakPolarHBondContact CB-O 3.27Å
590	C	98	Very high	98.1	Very high	102 Å²	102	42.3 Å²	42.3	69%	0.689	24%	0.238	S	C	*	.	H	α-helix	trans	-63.1	-41.9	175.9	-53	0	0	0	0	111.4	S588 A593 E594	S588-C590 VanDerWaalsContact C-N 3.26Å; S588-C590 PolarHBondContact O-N 3.3Å; C590-A593 PolarHBondContact O-N 3.2Å; C590-E594 PolarHBondContact O-N 3.07Å
591	K	97.8	Very high	98.1	Very high	78 Å²	78	42.8 Å²	42.8	34%	0.339	25%	0.245	S	C	.	.	H	α-helix	trans	-66.1	-41	174.2	-74.1	-69.5	176.7	-169.3	0	112.2	L586 S588 A589 A593 E594 V595	L586-K591 HydrophobicContact CB-CB 4.15Å; L586-K591 HydrophobicContact CD2-CB 3.9Å; S588-K591 PolarHBondContact O-N 2.91Å; S588-K591 PolarHBondContact OG-N 3.44Å; A589-K591 VanDerWaalsContact C-N 3.34Å; A589-K591 PolarHBondContact O-N 2.9Å; K591-A593 VanDerWaalsContact C-N 3.27Å; K591-A593 PolarHBondContact O-N 3.33Å; K591-E594 WeakPolarHBondContact CD-OE2 3.43Å; K591-E594 IonicContact NZ-OE1 3.04Å; K591-E594 IonicContact NZ-OE2 3.48Å; K591-E594 PolarHBondContact NZ-OE2 3.12Å; K591-E594 WeakPolarHBondContact O-CB 3.46Å; K591-E594 PolarHBondContact O-N 3.36Å; K591-V595 PolarHBondContact O-N 3.26Å; K591-V595 VanDerWaalsContact O-N 3.09Å
592	A	97.9	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-36.8	173.9	0	0	0	0	0	112.5	L586 S588 A589 V595 K596 L628	L586-A592 HydrophobicContact CB-CB 4.37Å; L586-A592 HydrophobicContact CD1-CB 4.14Å; S588-A592 PolarHBondContact O-N 2.96Å; A589-A592 PolarHBondContact O-N 2.97Å; A592-V595 PolarHBondContact O-N 3.49Å; A592-K596 PolarHBondContact O-N 3.4Å; A592-L628 HydrophobicContact CB-CD1 3.78Å; A592-L628 HydrophobicContact CB-CG 4.35Å
593	A	98	Very high	97.9	Very high	47 Å²	47	53.7 Å²	53.7	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-37.4	175.3	0	0	0	0	0	112.5	A589 C590 K591 K596 A597 L628	A589-A593 PolarHBondContact O-N 2.88Å; C590-A593 PolarHBondContact O-N 3.2Å; K591-A593 VanDerWaalsContact C-N 3.27Å; K591-A593 PolarHBondContact O-N 3.33Å; A593-K596 WeakPolarHBondContact O-CB 3.43Å; A593-K596 PolarHBondContact O-N 2.98Å; A593-A597 WeakPolarHBondContact O-CB 3.48Å; A593-A597 PolarHBondContact O-N 3.07Å; A593-L628 HydrophobicContact CB-CD1 4.15Å
594	E	97.9	Very high	97.8	Very high	94 Å²	94	53 Å²	53	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-48.3	172.7	-172.1	-175.3	161.2	0	0	111	C590 K591 K596 A597 W598	C590-E594 PolarHBondContact O-N 3.07Å; K591-E594 WeakPolarHBondContact CD-OE2 3.43Å; K591-E594 IonicContact NZ-OE1 3.04Å; K591-E594 IonicContact NZ-OE2 3.48Å; K591-E594 PolarHBondContact NZ-OE2 3.12Å; K591-E594 WeakPolarHBondContact O-CB 3.46Å; K591-E594 PolarHBondContact O-N 3.36Å; E594-K596 PolarHBondContact O-N 3.43Å; E594-A597 PolarHBondContact O-N 3.36Å; E594-W598 PolarHBondContact O-N 2.83Å
595	V	98.1	Very high	97.8	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-39.7	176.9	177.9	0	0	0	0	112.1	L586 K591 A592 W598 L599 L633 L661 F665 L668	L586-V595 HydrophobicContact CD2-CB 4.36Å; L586-V595 HydrophobicContact CD2-CG2 3.42Å; L586-V595 VanDerWaalsContact CD2-CG2 3.42Å; K591-V595 PolarHBondContact O-N 3.26Å; K591-V595 VanDerWaalsContact O-N 3.09Å; A592-V595 PolarHBondContact O-N 3.49Å; V595-W598 PolarHBondContact O-N 3.41Å; V595-L599 HydrophobicContact CG1-CD1 4.02Å; V595-L599 HydrophobicContact CG1-CG 4.34Å; V595-L599 WeakPolarHBondContact O-CG 3.22Å; V595-L599 PolarHBondContact O-N 3.34Å; V595-L633 HydrophobicContact CB-CD2 4.17Å; V595-L633 HydrophobicContact CG1-CD2 3.71Å; V595-L661 HydrophobicContact CG1-CD1 4.17Å; V595-L661 HydrophobicContact CG1-CD2 4.28Å; V595-F665 HydrophobicContact CB-CE2 4.48Å; V595-F665 HydrophobicContact CG1-CD2 4.31Å; V595-F665 HydrophobicContact CG1-CE2 4.31Å; V595-F665 HydrophobicContact CG2-CB 4.27Å; V595-F665 HydrophobicContact CG2-CD1 3.57Å; V595-F665 HydrophobicContact CG2-CD2 3.77Å; V595-F665 HydrophobicContact CG2-CE1 3.74Å; V595-F665 HydrophobicContact CG2-CE2 3.94Å; V595-F665 HydrophobicContact CG2-CG 3.58Å; V595-F665 HydrophobicContact CG2-CZ 3.92Å; V595-L668 HydrophobicContact CG1-CD1 4.35Å
596	K	98.2	Very high	97.8	Very high	54 Å²	54	59 Å²	59	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-57.8	-51.4	174.5	-177.3	-179.9	-179.5	-67.4	0	111	A592 A593 E594 W598 L599 E600 V626 L633	A592-K596 PolarHBondContact O-N 3.4Å; A593-K596 WeakPolarHBondContact O-CB 3.43Å; A593-K596 PolarHBondContact O-N 2.98Å; E594-K596 PolarHBondContact O-N 3.43Å; K596-W598 VanDerWaalsContact C-N 3.27Å; K596-W598 PolarHBondContact O-N 3.38Å; K596-L599 PolarHBondContact O-N 3.06Å; K596-E600 WeakPolarHBondContact CE-OE1 3.34Å; K596-E600 IonicContact NZ-OE1 2.62Å; K596-E600 PolarHBondContact NZ-OE1 3.25Å; K596-E600 IonicContact NZ-OE2 3.35Å; K596-E600 PolarHBondContact NZ-OE2 3.03Å; K596-E600 WeakPolarHBondContact O-CG 3.46Å; K596-E600 PolarHBondContact O-N 3.03Å; K596-V626 HydrophobicContact CB-CG1 4.35Å; K596-V626 VanDerWaalsContact CE-O 3.3Å; K596-V626 WeakPolarHBondContact CE-O 3.4Å; K596-V626 HydrophobicContact CG-CB 4.17Å; K596-V626 HydrophobicContact CG-CG1 3.94Å; K596-L633 HydrophobicContact CB-CD1 4.02Å
597	A	97.9	Very high	97.7	Very high	60 Å²	60	60.2 Å²	60.2	50%	0.496	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-37.8	-179.3	0	0	0	0	0	111.7	A593 E594 E600 S601	A593-A597 WeakPolarHBondContact O-CB 3.48Å; A593-A597 PolarHBondContact O-N 3.07Å; E594-A597 PolarHBondContact O-N 3.36Å; A597-E600 PolarHBondContact O-N 3.28Å; A597-S601 PolarHBondContact O-N 3.44Å; A597-S601 VanDerWaalsContact O-N 3.14Å
598	W	98.3	Very high	97.7	Very high	57 Å²	57	56.8 Å²	56.8	22%	0.216	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-45.6	174.9	-175.1	85.1	0	0	0	112.4	E594 V595 K596 E600 S601 G604 D607 I608 L661 H664 F665	E594-W598 PolarHBondContact O-N 2.83Å; V595-W598 PolarHBondContact O-N 3.41Å; K596-W598 VanDerWaalsContact C-N 3.27Å; K596-W598 PolarHBondContact O-N 3.38Å; W598-E600 PolarHBondContact O-N 2.98Å; W598-S601 WeakPolarHBondContact O-CB 3.32Å; W598-S601 PolarHBondContact O-N 3.44Å; W598-S601 PolarHBondContact O-OG 3.26Å; W598-G604 WeakPolarHBondContact O-CA 3.29Å; W598-D607 HydrophobicContact CH2-CB 4.41Å; W598-I608 HydrophobicContact CH2-CD1 4.24Å; W598-I608 HydrophobicContact CH2-CG1 3.99Å; W598-I608 HydrophobicContact CZ3-CD1 4.06Å; W598-I608 HydrophobicContact CZ3-CG1 3.69Å; W598-L661 HydrophobicContact CE3-CD1 3.91Å; W598-L661 HydrophobicContact CH2-CD1 4.5Å; W598-L661 HydrophobicContact CZ3-CD1 3.53Å; W598-H664 AromaticContact CH2-CD2 3.63Å; W598-H664 AromaticContact CH2-NE2 3.92Å; W598-H664 AromaticContact CZ2-CD2 3.77Å; W598-H664 AromaticContact CZ2-CG 3.99Å; W598-H664 AromaticContact CZ2-NE2 3.8Å; W598-F665 HydrophobicContact CB-CE2 4.34Å; W598-F665 HydrophobicContact CB-CZ 3.97Å; W598-F665 AromaticContact CD2-CE2 3.86Å; W598-F665 HydrophobicContact CD2-CE2 3.86Å; W598-F665 HydrophobicContact CD2-CZ 4.19Å; W598-F665 AromaticContact CE3-CE2 3.85Å; W598-F665 HydrophobicContact CE3-CE2 3.85Å; W598-F665 HydrophobicContact CG-CE2 4.09Å; W598-F665 AromaticContact CG-CZ 3.92Å; W598-F665 HydrophobicContact CG-CZ 3.92Å; W598-F665 HydrophobicContact CZ3-CE2 4.47Å
599	L	97.9	Very high	97.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-28	177	-74.9	171.7	0	0	0	113.5	V595 K596 I608 L624 V626 L633 I635 L661	V595-L599 HydrophobicContact CG1-CD1 4.02Å; V595-L599 HydrophobicContact CG1-CG 4.34Å; V595-L599 WeakPolarHBondContact O-CG 3.22Å; V595-L599 PolarHBondContact O-N 3.34Å; K596-L599 PolarHBondContact O-N 3.06Å; L599-I608 HydrophobicContact CD2-CG1 3.84Å; L599-L624 HydrophobicContact CB-CD1 4.48Å; L599-L624 HydrophobicContact CD2-CD1 4.01Å; L599-V626 HydrophobicContact CB-CG2 4.37Å; L599-V626 HydrophobicContact CD1-CG2 4.23Å; L599-L633 HydrophobicContact CD1-CD2 4.09Å; L599-I635 HydrophobicContact CD1-CD1 3.69Å; L599-I635 HydrophobicContact CD1-CG1 3.99Å; L599-I635 HydrophobicContact CD1-CG2 4.35Å; L599-L661 HydrophobicContact CD1-CD2 4.37Å; L599-L661 HydrophobicContact CD2-CD1 3.91Å; L599-L661 HydrophobicContact CG-CD1 4.34Å
600	E	96.6	Very high	97.7	Very high	112 Å²	112	58.4 Å²	58.4	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-86.2	-10.6	176.1	-70.5	177	156.4	0	0	113.1	K596 A597 W598	K596-E600 WeakPolarHBondContact CE-OE1 3.34Å; K596-E600 IonicContact NZ-OE1 2.62Å; K596-E600 PolarHBondContact NZ-OE1 3.25Å; K596-E600 IonicContact NZ-OE2 3.35Å; K596-E600 PolarHBondContact NZ-OE2 3.03Å; K596-E600 WeakPolarHBondContact O-CG 3.46Å; K596-E600 PolarHBondContact O-N 3.03Å; A597-E600 PolarHBondContact O-N 3.28Å; W598-E600 PolarHBondContact O-N 2.98Å
601	S	97.8	Very high	97.7	Very high	33 Å²	33	53.9 Å²	53.9	23%	0.231	29%	0.286	C	S	.	.	S	Bend	trans	-73.8	149.2	172.6	77.8	0	0	0	0	111	A597 W598 D603 G604 F605	A597-S601 PolarHBondContact O-N 3.44Å; A597-S601 VanDerWaalsContact O-N 3.14Å; W598-S601 WeakPolarHBondContact O-CB 3.32Å; W598-S601 PolarHBondContact O-N 3.44Å; W598-S601 PolarHBondContact O-OG 3.26Å; S601-D603 VanDerWaalsContact C-N 3.27Å; S601-D603 PolarHBondContact O-N 3.48Å; S601-G604 PolarHBondContact O-N 2.65Å; S601-G604 PolarHBondContact OG-N 2.95Å; S601-G604 VanDerWaalsContact OG-N 3.11Å; S601-F605 WeakPolarHBondContact O-CB 3.36Å; S601-F605 PolarHBondContact O-N 3.24Å
602	P	96.9	Very high	97.7	Very high	104 Å²	104	50.2 Å²	50.2	68%	0.675	27%	0.27	S	S	*	.	H	α-helix	trans	-55.7	-41.9	176.6	-26.2	34.9	0	0	0	113	Q606	P602-Q606 VanDerWaalsContact O-CB 3.25Å; P602-Q606 WeakPolarHBondContact O-CB 3.25Å; P602-Q606 PolarHBondContact O-N 3.43Å
603	D	96.7	Very high	97.7	Very high	124 Å²	124	51.8 Å²	51.8	66%	0.663	28%	0.278	S	S	*	.	H	α-helix	trans	-67.2	-45.8	-178.4	-60.8	-25.5	0	0	0	111.5	S601 Q606 D607	S601-D603 VanDerWaalsContact C-N 3.27Å; S601-D603 PolarHBondContact O-N 3.48Å; D603-Q606 PolarHBondContact O-N 3.32Å; D603-D607 WeakPolarHBondContact O-CB 3.5Å; D603-D607 PolarHBondContact O-N 3.02Å
604	G	96.8	Very high	97.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.1	-40.1	178.8	0	0	0	0	0	112.9	W598 S601 I608	W598-G604 WeakPolarHBondContact O-CA 3.29Å; S601-G604 PolarHBondContact O-N 2.65Å; S601-G604 PolarHBondContact OG-N 2.95Å; S601-G604 VanDerWaalsContact OG-N 3.11Å; G604-I608 WeakPolarHBondContact O-CB 3.38Å; G604-I608 VanDerWaalsContact O-CG1 3.27Å; G604-I608 WeakPolarHBondContact O-CG1 3.28Å; G604-I608 PolarHBondContact O-N 3.41Å; G604-I608 VanDerWaalsContact O-N 3.16Å
605	F	98	Very high	97.5	Very high	62 Å²	62	50.6 Å²	50.6	27%	0.272	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-45.3	173.2	177.7	-97.4	0	0	0	111.5	S601 I608 S609 L621 L624	S601-F605 WeakPolarHBondContact O-CB 3.36Å; S601-F605 PolarHBondContact O-N 3.24Å; F605-I608 PolarHBondContact O-N 2.89Å; F605-S609 VanDerWaalsContact O-CB 3.24Å; F605-S609 WeakPolarHBondContact O-CB 3.48Å; F605-S609 PolarHBondContact O-N 3.11Å; F605-L621 HydrophobicContact CE2-CD2 4.01Å; F605-L621 HydrophobicContact CE2-CG 4.27Å; F605-L621 HydrophobicContact CZ-CD2 4.38Å; F605-L621 HydrophobicContact CZ-CG 4.4Å; F605-L624 HydrophobicContact CD2-CB 4.49Å; F605-L624 HydrophobicContact CD2-CD1 3.97Å; F605-L624 HydrophobicContact CD2-CG 3.89Å; F605-L624 HydrophobicContact CE2-CD1 4.49Å; F605-L624 HydrophobicContact CE2-CG 3.96Å
606	Q	97.9	Very high	97.3	Very high	135 Å²	135	52.1 Å²	52.1	63%	0.631	28%	0.28	S	S	*	.	H	α-helix	trans	-63.6	-45.4	-178.8	-176.5	169.4	3.9	0	0	112.2	P602 D603 I608 S609 E610	P602-Q606 VanDerWaalsContact O-CB 3.25Å; P602-Q606 WeakPolarHBondContact O-CB 3.25Å; P602-Q606 PolarHBondContact O-N 3.43Å; D603-Q606 PolarHBondContact O-N 3.32Å; Q606-I608 PolarHBondContact O-N 3.38Å; Q606-S609 WeakPolarHBondContact O-CB 3.36Å; Q606-S609 PolarHBondContact O-N 3.17Å; Q606-E610 PolarHBondContact O-N 2.94Å
607	D	97.5	Very high	97.1	Very high	33 Å²	33	59 Å²	59	18%	0.176	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-42.8	178.3	-179.2	49.4	0	0	0	112.2	W598 D603 E610 A611 R660 H664	W598-D607 HydrophobicContact CH2-CB 4.41Å; D603-D607 WeakPolarHBondContact O-CB 3.5Å; D603-D607 PolarHBondContact O-N 3.02Å; D607-E610 PolarHBondContact O-N 3.49Å; D607-A611 PolarHBondContact O-N 2.98Å; D607-R660 IonicContact OD1-CZ 2.67Å; D607-R660 IonicContact OD1-NH1 3.8Å; D607-R660 PolarHBondContact OD1-NH1 3.32Å; D607-R660 WeakPolarHBondContact OD2-CG 3.44Å; D607-H664 IonicContact OD2-CD2 2.68Å; D607-H664 PolarHBondContact OD2-CD2 3.41Å; D607-H664 IonicContact OD2-CE1 3.2Å; D607-H664 IonicContact OD2-NE2 2.67Å; D607-H664 PolarHBondContact OD2-NE2 3.45Å
608	I	98.1	Very high	96.9	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-68.7	-39.2	176.3	-67	-61.9	0	0	0	111.7	W598 L599 G604 F605 Q606 E610 A611 F612 L621 L624 F637 A657 R660 L661	W598-I608 HydrophobicContact CH2-CD1 4.24Å; W598-I608 HydrophobicContact CH2-CG1 3.99Å; W598-I608 HydrophobicContact CZ3-CD1 4.06Å; W598-I608 HydrophobicContact CZ3-CG1 3.69Å; L599-I608 HydrophobicContact CD2-CG1 3.84Å; G604-I608 WeakPolarHBondContact O-CB 3.38Å; G604-I608 VanDerWaalsContact O-CG1 3.27Å; G604-I608 WeakPolarHBondContact O-CG1 3.28Å; G604-I608 PolarHBondContact O-N 3.41Å; G604-I608 VanDerWaalsContact O-N 3.16Å; F605-I608 PolarHBondContact O-N 2.89Å; Q606-I608 PolarHBondContact O-N 3.38Å; I608-E610 VanDerWaalsContact C-N 3.33Å; I608-E610 PolarHBondContact O-N 2.95Å; I608-A611 PolarHBondContact O-N 3.21Å; I608-F612 VanDerWaalsContact O-CB 3.24Å; I608-F612 WeakPolarHBondContact O-CB 3.5Å; I608-F612 PolarHBondContact O-N 3.32Å; I608-L621 HydrophobicContact CG2-CD2 4.36Å; I608-L624 HydrophobicContact CG2-CD1 4.34Å; I608-F637 HydrophobicContact CG2-CE1 3.77Å; I608-F637 HydrophobicContact CG2-CZ 4.5Å; I608-A657 HydrophobicContact CG2-CB 3.89Å; I608-R660 HydrophobicContact CD1-CB 4.25Å; I608-R660 HydrophobicContact CD1-CG 4.04Å; I608-L661 HydrophobicContact CD1-CB 3.98Å; I608-L661 HydrophobicContact CD1-CD1 4.15Å
609	S	97.6	Very high	96.7	Very high	18 Å²	18	58 Å²	58	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-42.8	175.4	-168.1	0	0	0	0	111.4	F605 Q606 F612 D613	F605-S609 VanDerWaalsContact O-CB 3.24Å; F605-S609 WeakPolarHBondContact O-CB 3.48Å; F605-S609 PolarHBondContact O-N 3.11Å; Q606-S609 WeakPolarHBondContact O-CB 3.36Å; Q606-S609 PolarHBondContact O-N 3.17Å; S609-F612 PolarHBondContact O-N 3.27Å; S609-D613 VanDerWaalsContact O-CB 3.3Å; S609-D613 WeakPolarHBondContact O-CB 3.37Å; S609-D613 VanDerWaalsContact O-CG 3.26Å; S609-D613 PolarHBondContact O-N 3.49Å
610	E	97.4	Very high	96.7	Very high	111 Å²	111	63.6 Å²	63.6	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-47.1	177.8	-172.4	-174.5	169.3	0	0	111.4	Q606 D607 I608 F612 N614	Q606-E610 PolarHBondContact O-N 2.94Å; D607-E610 PolarHBondContact O-N 3.49Å; I608-E610 VanDerWaalsContact C-N 3.33Å; I608-E610 PolarHBondContact O-N 2.95Å; E610-F612 VanDerWaalsContact C-N 3.3Å; E610-F612 PolarHBondContact O-N 3.49Å; E610-N614 WeakPolarHBondContact O-CB 3.33Å; E610-N614 PolarHBondContact O-N 2.89Å; E610-N614 VanDerWaalsContact O-N 3.14Å; E610-N614 PolarHBondContact O-ND2 3.41Å
611	A	97.6	Very high	96.7	Very high	7 Å²	7	58.9 Å²	58.9	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-39.4	177.1	0	0	0	0	0	112.3	D607 I608 R660	D607-A611 PolarHBondContact O-N 2.98Å; I608-A611 PolarHBondContact O-N 3.21Å; A611-R660 HydrophobicContact CB-CB 3.68Å; A611-R660 HydrophobicContact CB-CG 3.92Å
612	F	98.2	Very high	96.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.1	-50.2	178.8	-177.1	-80	0	0	0	111.8	I608 S609 E610 N614 S615 A619 L621 F637 C639 I650 G653 A657	I608-F612 VanDerWaalsContact O-CB 3.24Å; I608-F612 WeakPolarHBondContact O-CB 3.5Å; I608-F612 PolarHBondContact O-N 3.32Å; S609-F612 PolarHBondContact O-N 3.27Å; E610-F612 VanDerWaalsContact C-N 3.3Å; E610-F612 PolarHBondContact O-N 3.49Å; F612-N614 VanDerWaalsContact C-N 3.29Å; F612-N614 PolarHBondContact O-N 2.92Å; F612-S615 WeakPolarHBondContact O-CB 3.46Å; F612-S615 PolarHBondContact O-N 3.47Å; F612-S615 PolarHBondContact O-OG 2.92Å; F612-A619 HydrophobicContact CD1-CB 4.48Å; F612-A619 HydrophobicContact CE1-CB 3.9Å; F612-L621 HydrophobicContact CB-CD2 4.45Å; F612-L621 HydrophobicContact CD1-CB 3.81Å; F612-L621 HydrophobicContact CD1-CD1 4.31Å; F612-L621 HydrophobicContact CD2-CD1 4.31Å; F612-L621 HydrophobicContact CE1-CB 4.26Å; F612-L621 HydrophobicContact CE1-CD1 4.36Å; F612-L621 HydrophobicContact CE2-CD1 4.37Å; F612-L621 HydrophobicContact CG-CB 4.26Å; F612-L621 HydrophobicContact CG-CD1 4.3Å; F612-L621 HydrophobicContact CZ-CD1 4.41Å; F612-F637 AromaticContact CD2-CD1 3.95Å; F612-F637 HydrophobicContact CD2-CD1 3.95Å; F612-F637 HydrophobicContact CE2-CB 4.36Å; F612-F637 HydrophobicContact CE2-CD1 4.22Å; F612-C639 HydrophobicContact CE1-CB 3.62Å; F612-C639 WeakPolarHBondContact CE1-SG 3.3Å; F612-C639 HydrophobicContact CZ-CB 3.61Å; F612-I650 HydrophobicContact CE2-CG1 4.19Å; F612-I650 HydrophobicContact CZ-CG1 3.93Å; F612-G653 VanDerWaalsContact CD2-O 3.28Å; F612-G653 WeakPolarHBondContact CD2-O 3.44Å; F612-A657 HydrophobicContact CB-CB 4.24Å; F612-A657 HydrophobicContact CD2-CB 4.24Å
613	D	97.3	Very high	96.5	Very high	33 Å²	33	59.1 Å²	59.1	18%	0.176	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-30.8	-175.4	-73.7	4	0	0	0	111.7	S609 S615 S616 R620 L621	S609-D613 VanDerWaalsContact O-CB 3.3Å; S609-D613 WeakPolarHBondContact O-CB 3.37Å; S609-D613 VanDerWaalsContact O-CG 3.26Å; S609-D613 PolarHBondContact O-N 3.49Å; D613-S615 PolarHBondContact O-N 3.43Å; D613-S616 PolarHBondContact O-N 2.91Å; D613-R620 WeakPolarHBondContact OD1-CA 3.41Å; D613-R620 WeakPolarHBondContact OD2-CD 3.49Å; D613-L621 PolarHBondContact OD1-N 3.11Å
614	N	96.4	Very high	96.6	Very high	105 Å²	105	54.6 Å²	54.6	56%	0.561	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-0.5	172.3	-76.7	-33.3	0	0	0	114.2	E610 F612 K656	E610-N614 WeakPolarHBondContact O-CB 3.33Å; E610-N614 PolarHBondContact O-N 2.89Å; E610-N614 VanDerWaalsContact O-N 3.14Å; E610-N614 PolarHBondContact O-ND2 3.41Å; F612-N614 VanDerWaalsContact C-N 3.29Å; F612-N614 PolarHBondContact O-N 2.92Å; N614-K656 PolarHBondContact O-NZ 3.23Å
615	S	95.4	Very high	96.7	Very high	12 Å²	12	57.1 Å²	57.1	8%	0.084	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-25.4	173.3	71.1	0	0	0	0	114	F612 D613 G653	F612-S615 WeakPolarHBondContact O-CB 3.46Å; F612-S615 PolarHBondContact O-N 3.47Å; F612-S615 PolarHBondContact O-OG 2.92Å; D613-S615 PolarHBondContact O-N 3.43Å; S615-G653 VanDerWaalsContact OG-CA 3.31Å; S615-G653 WeakPolarHBondContact OG-CA 3.43Å
616	S	95.3	Very high	96.7	Very high	31 Å²	31	54.6 Å²	54.6	22%	0.217	26%	0.256	C	S	.	.			trans	-161.1	145.2	-172	171.8	0	0	0	0	112	D613 F618 A619 M649	D613-S616 PolarHBondContact O-N 2.91Å; S616-F618 PolarHBondContact O-N 2.81Å; S616-F618 PolarHBondContact OG-N 2.84Å; S616-A619 PolarHBondContact O-N 3.02Å; S616-M649 PolarHBondContact OG-SD 2.97Å; S616-M649 VanDerWaalsContact OG-SD 3.36Å
617	R	93.9	Very high	96.6	Very high	199 Å²	199	48.9 Å²	48.9	75%	0.751	23%	0.233	S	C	*	.	S	Bend	trans	-61.7	-24.9	174.9	68	-174.4	179	-140.6	-0.2	114.2	R620	R617-R620 PolarHBondContact O-NH1 3.44Å; R617-R620 PolarHBondContact O-NH2 3.35Å
618	F	93.1	Very high	96.6	Very high	97 Å²	97	50.9 Å²	50.9	43%	0.425	24%	0.243	S	C	.	.	S	Bend	trans	-100.8	-22.8	-177.1	-59.6	-66	0	0	0	113.8	S616 R620 M649	S616-F618 PolarHBondContact O-N 2.81Å; S616-F618 PolarHBondContact OG-N 2.84Å; F618-R620 PolarHBondContact O-N 3.33Å; F618-M649 HydrophobicContact CB-CE 4.02Å; F618-M649 HydrophobicContact CB-SD 3.95Å; F618-M649 HydrophobicContact CD2-CE 4.19Å
619	A	94.4	Very high	96.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.			trans	-69.7	117.5	-176.4	0	0	0	0	0	109.5	F612 S616 R640 M649	F612-A619 HydrophobicContact CD1-CB 4.48Å; F612-A619 HydrophobicContact CE1-CB 3.9Å; S616-A619 PolarHBondContact O-N 3.02Å; A619-R640 WeakPolarHBondContact CA-O 3.47Å; A619-M649 HydrophobicContact CB-CG 4.13Å; A619-M649 HydrophobicContact CB-SD 3.96Å
620	R	97.4	Very high	96.6	Very high	118 Å²	118	54.6 Å²	54.6	45%	0.445	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	108.1	173.5	-65.2	-63.9	178	-85.8	-6.4	109	D613 R617 F618 Q622 C639 R640	D613-R620 WeakPolarHBondContact OD1-CA 3.41Å; D613-R620 WeakPolarHBondContact OD2-CD 3.49Å; R617-R620 PolarHBondContact O-NH1 3.44Å; R617-R620 PolarHBondContact O-NH2 3.35Å; F618-R620 PolarHBondContact O-N 3.33Å; R620-Q622 PolarHBondContact O-N 3.22Å; R620-C639 PolarHBondContact N-SG 3Å; R620-C639 VanDerWaalsContact N-SG 3.38Å; R620-C639 VanDerWaalsContact O-CA 3.23Å; R620-C639 WeakPolarHBondContact O-CA 3.3Å; R620-R640 PolarHBondContact N-O 3.44Å; R620-R640 PolarHBondContact O-N 2.99Å
621	L	97.8	Very high	96.6	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.1	176.2	-169.6	68.7	0	0	0	109.7	F605 I608 F612 D613 L624 F637 Q638	F605-L621 HydrophobicContact CE2-CD2 4.01Å; F605-L621 HydrophobicContact CE2-CG 4.27Å; F605-L621 HydrophobicContact CZ-CD2 4.38Å; F605-L621 HydrophobicContact CZ-CG 4.4Å; I608-L621 HydrophobicContact CG2-CD2 4.36Å; F612-L621 HydrophobicContact CB-CD2 4.45Å; F612-L621 HydrophobicContact CD1-CB 3.81Å; F612-L621 HydrophobicContact CD1-CD1 4.31Å; F612-L621 HydrophobicContact CD2-CD1 4.31Å; F612-L621 HydrophobicContact CE1-CB 4.26Å; F612-L621 HydrophobicContact CE1-CD1 4.36Å; F612-L621 HydrophobicContact CE2-CD1 4.37Å; F612-L621 HydrophobicContact CG-CB 4.26Å; F612-L621 HydrophobicContact CG-CD1 4.3Å; F612-L621 HydrophobicContact CZ-CD1 4.41Å; D613-L621 PolarHBondContact OD1-N 3.11Å; L621-L624 HydrophobicContact CD1-CD2 4.12Å; L621-L624 HydrophobicContact CD2-CD2 4.09Å; L621-L624 HydrophobicContact CD2-CG 4.38Å; L621-F637 HydrophobicContact CD1-CB 4.03Å; L621-F637 HydrophobicContact CD1-CD1 3.81Å; L621-F637 HydrophobicContact CD1-CG 4.42Å; L621-F637 HydrophobicContact CD2-CD1 4.42Å; L621-Q638 WeakPolarHBondContact CD1-O 3.26Å
622	Q	96.1	Very high	96.7	Very high	68 Å²	68	56 Å²	56	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-49.1	-176.4	-68	171.3	-58.7	0	0	111.8	D576 R620 Q638 R640	D576-Q622 PolarHBondContact O-NE2 3.39Å; D576-Q622 PolarHBondContact O-OE1 2.93Å; D576-Q622 VanDerWaalsContact O-OE1 3.09Å; R620-Q622 PolarHBondContact O-N 3.22Å; Q622-Q638 PolarHBondContact N-O 2.95Å; Q622-R640 HydrophobicContact CG-CG 4.26Å
623	K	94.3	Very high	96.7	Very high	73 Å²	73	56 Å²	56	32%	0.317	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.3	-177.9	70.1	-176.5	-149.7	-170.1	0	111	Q638 E690	K623-Q638 HydrophobicContact CG-CB 3.85Å; K623-Q638 PolarHBondContact O-N 3.45Å; K623-E690 IonicContact NZ-OE2 2.79Å; K623-E690 PolarHBondContact NZ-OE2 3.42Å
624	L	97.9	Very high	96.7	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.157	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.6	165.7	-63.6	-179	0	0	0	108.3	L599 F605 I608 L621 V626 I635 R636 F637	L599-L624 HydrophobicContact CB-CD1 4.48Å; L599-L624 HydrophobicContact CD2-CD1 4.01Å; F605-L624 HydrophobicContact CD2-CB 4.49Å; F605-L624 HydrophobicContact CD2-CD1 3.97Å; F605-L624 HydrophobicContact CD2-CG 3.89Å; F605-L624 HydrophobicContact CE2-CD1 4.49Å; F605-L624 HydrophobicContact CE2-CG 3.96Å; I608-L624 HydrophobicContact CG2-CD1 4.34Å; L621-L624 HydrophobicContact CD1-CD2 4.12Å; L621-L624 HydrophobicContact CD2-CD2 4.09Å; L621-L624 HydrophobicContact CD2-CG 4.38Å; L624-V626 HydrophobicContact CB-CG2 4.33Å; L624-I635 HydrophobicContact CD2-CG2 4.15Å; L624-R636 WeakPolarHBondContact CA-O 3.34Å; L624-F637 HydrophobicContact CD2-CB 4.28Å; L624-F637 HydrophobicContact CD2-CD1 3.36Å; L624-F637 HydrophobicContact CD2-CD2 4.42Å; L624-F637 HydrophobicContact CD2-CE1 3.63Å; L624-F637 HydrophobicContact CD2-CG 3.78Å; L624-F637 HydrophobicContact CD2-CZ 4.27Å
625	L	98.1	Very high	96.8	Very high	52 Å²	52	52.4 Å²	52.4	27%	0.272	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.1	167.1	174	67.3	0	0	0	108.3	R636 I686 E690	L625-R636 HydrophobicContact CB-CB 4.13Å; L625-R636 PolarHBondContact N-O 3.19Å; L625-R636 WeakPolarHBondContact O-CB 3.46Å; L625-R636 PolarHBondContact O-N 3.25Å; L625-I686 HydrophobicContact CD2-CD1 3.95Å; L625-I686 HydrophobicContact CD2-CG1 4.42Å; L625-E690 HydrophobicContact CD2-CG 3.95Å
626	V	98	Very high	97	Very high	9 Å²	9	52 Å²	52	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.7	-169.9	-169.8	0	0	0	0	111	K596 L599 L624 L633 Y634 I635	K596-V626 HydrophobicContact CB-CG1 4.35Å; K596-V626 VanDerWaalsContact CE-O 3.3Å; K596-V626 WeakPolarHBondContact CE-O 3.4Å; K596-V626 HydrophobicContact CG-CB 4.17Å; K596-V626 HydrophobicContact CG-CG1 3.94Å; L599-V626 HydrophobicContact CB-CG2 4.37Å; L599-V626 HydrophobicContact CD1-CG2 4.23Å; L624-V626 HydrophobicContact CB-CG2 4.33Å; V626-L633 HydrophobicContact CG1-CD1 3.36Å; V626-L633 HydrophobicContact CG1-CD2 3.92Å; V626-L633 HydrophobicContact CG1-CG 3.55Å; V626-Y634 CarbonylContact C-O 3.29Å; V626-Y634 WeakPolarHBondContact CA-O 3.22Å; V626-I635 HydrophobicContact CG1-CG1 4.2Å; V626-I635 HydrophobicContact CG2-CG2 4.21Å
627	G	97.3	Very high	97.1	Very high	16 Å²	16	50.6 Å²	50.6	17%	0.165	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.8	174.1	0	0	0	0	0	111.8	Y634	G627-Y634 PolarHBondContact N-O 3.36Å; G627-Y634 PolarHBondContact O-N 3.36Å
628	L	97.1	Very high	97.3	Very high	74 Å²	74	41.8 Å²	41.8	39%	0.387	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.4	180	-173	151.2	0	0	0	110.2	A592 A593 G630 L633	A592-L628 HydrophobicContact CB-CD1 3.78Å; A592-L628 HydrophobicContact CB-CG 4.35Å; A593-L628 HydrophobicContact CB-CD1 4.15Å; L628-G630 WeakPolarHBondContact CD2-O 3.43Å; L628-L633 HydrophobicContact CB-CD1 4.12Å; L628-L633 HydrophobicContact CD1-CD1 4.21Å; L628-L633 HydrophobicContact CG-CD1 4.38Å
629	A	97.8	Very high	97.5	Very high	53 Å²	53	37.1 Å²	37.1	44%	0.438	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	96.3	173.3	0	0	0	0	0	109.5	R631 N632 Y634	A629-R631 PolarHBondContact O-N 2.91Å; A629-N632 PolarHBondContact N-O 2.94Å; A629-N632 PolarHBondContact O-N 3.42Å; A629-N632 VanDerWaalsContact O-N 3.08Å; A629-Y634 HydrophobicContact CB-CE2 3.99Å
630	G	97.9	Very high	97.6	Very high	45 Å²	45	43.8 Å²	43.8	46%	0.464	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-121.5	-170.6	0	0	0	0	0	111	A589 L628	A589-G630 WeakPolarHBondContact CA-O 3.29Å; A589-G630 WeakPolarHBondContact CB-O 3.27Å; L628-G630 WeakPolarHBondContact CD2-O 3.43Å
631	R	97.7	Very high	97.5	Very high	112 Å²	112	38.4 Å²	38.4	42%	0.423	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.3	177.8	74.4	-170.9	-174	111	-9.1	114.4	R585 L586 A629	R585-R631 VanDerWaalsContact CD-CZ 3.48Å; R585-R631 VanDerWaalsContact CD-NH1 3.34Å; R585-R631 HydrophobicContact CG-CG 4.26Å; R585-R631 VanDerWaalsContact CG-NH1 3.34Å; L586-R631 PolarHBondContact N-O 2.66Å; L586-R631 WeakPolarHBondContact O-CB 3.31Å; L586-R631 VanDerWaalsContact O-CD 3.32Å; L586-R631 WeakPolarHBondContact O-CD 3.27Å; L586-R631 WeakPolarHBondContact O-CG 3.47Å; L586-R631 PolarHBondContact O-NH1 2.93Å; A629-R631 PolarHBondContact O-N 2.91Å
632	N	98.5	Very high	97.3	Very high	35 Å²	35	39.2 Å²	39.2	19%	0.187	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.8	175.9	-62.2	-21.5	0	0	0	109.8	V583 V584 R585 A629 Y634	V583-N632 HydrophobicContact CG2-CB 4.25Å; V584-N632 CarbonylContact O-C 3.42Å; V584-N632 WeakPolarHBondContact O-CA 3.46Å; R585-N632 PolarHBondContact NE-OD1 3.25Å; A629-N632 PolarHBondContact N-O 2.94Å; A629-N632 PolarHBondContact O-N 3.42Å; A629-N632 VanDerWaalsContact O-N 3.08Å; N632-Y634 HydrophobicContact CB-CE2 4.18Å
633	L	98	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.5	177.9	-166.2	74	0	0	0	108.9	V583 V584 V595 K596 L599 V626 L628 I635	V583-L633 WeakPolarHBondContact CA-O 3.16Å; V584-L633 HydrophobicContact CG2-CB 3.68Å; V584-L633 HydrophobicContact CG2-CD2 4.24Å; V584-L633 HydrophobicContact CG2-CG 4.45Å; V584-L633 PolarHBondContact N-O 3.4Å; V584-L633 PolarHBondContact O-N 3.17Å; V595-L633 HydrophobicContact CB-CD2 4.17Å; V595-L633 HydrophobicContact CG1-CD2 3.71Å; K596-L633 HydrophobicContact CB-CD1 4.02Å; L599-L633 HydrophobicContact CD1-CD2 4.09Å; V626-L633 HydrophobicContact CG1-CD1 3.36Å; V626-L633 HydrophobicContact CG1-CD2 3.92Å; V626-L633 HydrophobicContact CG1-CG 3.55Å; L628-L633 HydrophobicContact CB-CD1 4.12Å; L628-L633 HydrophobicContact CD1-CD1 4.21Å; L628-L633 HydrophobicContact CG-CD1 4.38Å; L633-I635 HydrophobicContact CD2-CD1 4.04Å; L633-I635 HydrophobicContact CD2-CG1 3.96Å; L633-I635 HydrophobicContact CG-CG1 4.06Å
634	Y	98.6	Very high	97.2	Very high	62 Å²	62	38.7 Å²	38.7	24%	0.243	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.7	177.4	-62.1	-94.6	0	0	0	108.1	P582 V583 V626 G627 A629 N632 Y677	P582-Y634 WeakPolarHBondContact O-CA 3.44Å; V583-Y634 HydrophobicContact CB-CD1 3.78Å; V583-Y634 HydrophobicContact CB-CE1 3.68Å; V583-Y634 HydrophobicContact CG2-CD1 3.98Å; V583-Y634 HydrophobicContact CG2-CE1 3.6Å; V583-Y634 HydrophobicContact CG2-CE2 4.37Å; V626-Y634 CarbonylContact C-O 3.29Å; V626-Y634 WeakPolarHBondContact CA-O 3.22Å; G627-Y634 PolarHBondContact N-O 3.36Å; G627-Y634 PolarHBondContact O-N 3.36Å; A629-Y634 HydrophobicContact CB-CE2 3.99Å; N632-Y634 HydrophobicContact CB-CE2 4.18Å; Y634-Y677 HydrophobicContact CG-CG 4.43Å
635	I	98.6	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.8	-172.1	-53.4	164.7	0	0	0	107.4	G581 P582 V584 L599 L624 V626 L633 F637 L658 L661	G581-I635 WeakPolarHBondContact CA-O 3.27Å; P582-I635 WeakPolarHBondContact CD-O 3.43Å; P582-I635 HydrophobicContact CG-CB 4.33Å; P582-I635 WeakPolarHBondContact CG-O 3.48Å; P582-I635 PolarHBondContact O-N 3.27Å; P582-I635 VanDerWaalsContact O-N 3.16Å; V584-I635 HydrophobicContact CG2-CD1 4.05Å; L599-I635 HydrophobicContact CD1-CD1 3.69Å; L599-I635 HydrophobicContact CD1-CG1 3.99Å; L599-I635 HydrophobicContact CD1-CG2 4.35Å; L624-I635 HydrophobicContact CD2-CG2 4.15Å; V626-I635 HydrophobicContact CG1-CG1 4.2Å; V626-I635 HydrophobicContact CG2-CG2 4.21Å; L633-I635 HydrophobicContact CD2-CD1 4.04Å; L633-I635 HydrophobicContact CD2-CG1 3.96Å; L633-I635 HydrophobicContact CG-CG1 4.06Å; I635-F637 HydrophobicContact CB-CD2 4.41Å; I635-F637 HydrophobicContact CB-CE2 3.78Å; I635-F637 HydrophobicContact CB-CZ 4.44Å; I635-F637 HydrophobicContact CG2-CD2 3.91Å; I635-F637 HydrophobicContact CG2-CE1 4.46Å; I635-F637 HydrophobicContact CG2-CE2 3.33Å; I635-F637 HydrophobicContact CG2-CZ 3.65Å; I635-F637 WeakPolarHBondContact O-CD2 3.36Å; I635-F637 PolarHBondContact O-N 2.75Å; I635-L658 HydrophobicContact CD1-CD2 4.42Å; I635-L661 HydrophobicContact CD1-CD2 3.81Å
636	R	98.6	Very high	96.8	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	101.5	178.4	-169.5	176.5	-168.6	-125.9	1.2	109.7	T579 L624 L625 Y677 C678 N687 G691	T579-R636 HydrophobicContact CG2-CG 4.39Å; L624-R636 WeakPolarHBondContact CA-O 3.34Å; L625-R636 HydrophobicContact CB-CB 4.13Å; L625-R636 PolarHBondContact N-O 3.19Å; L625-R636 WeakPolarHBondContact O-CB 3.46Å; L625-R636 PolarHBondContact O-N 3.25Å; R636-Y677 HydrophobicContact CB-CD1 3.76Å; R636-Y677 HydrophobicContact CB-CE1 3.92Å; R636-Y677 WeakPolarHBondContact CD-O 3.4Å; R636-Y677 WeakPolarHBondContact CG-O 3.46Å; R636-C678 PolarHBondContact NE-O 3.46Å; R636-C678 PolarHBondContact NH2-O 3.37Å; R636-C678 VanDerWaalsContact NH2-O 3.09Å; R636-N687 PolarHBondContact NH2-OD1 2.78Å; R636-G691 PolarHBondContact NH2-O 3.31Å
637	F	98.6	Very high	96.6	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.3	171.4	-64.5	-100	0	0	0	108.8	T579 R580 P582 I608 F612 L621 L624 I635 T654 A657	T579-F637 CarbonylContact C-O 3.54Å; T579-F637 WeakPolarHBondContact CA-O 3.43Å; T579-F637 WeakPolarHBondContact CB-O 3.4Å; R580-F637 PolarHBondContact N-O 3.38Å; R580-F637 PolarHBondContact O-N 2.91Å; P582-F637 HydrophobicContact CG-CD2 3.98Å; P582-F637 HydrophobicContact CG-CE2 3.6Å; I608-F637 HydrophobicContact CG2-CE1 3.77Å; I608-F637 HydrophobicContact CG2-CZ 4.5Å; F612-F637 AromaticContact CD2-CD1 3.95Å; F612-F637 HydrophobicContact CD2-CD1 3.95Å; F612-F637 HydrophobicContact CE2-CB 4.36Å; F612-F637 HydrophobicContact CE2-CD1 4.22Å; L621-F637 HydrophobicContact CD1-CB 4.03Å; L621-F637 HydrophobicContact CD1-CD1 3.81Å; L621-F637 HydrophobicContact CD1-CG 4.42Å; L621-F637 HydrophobicContact CD2-CD1 4.42Å; L624-F637 HydrophobicContact CD2-CB 4.28Å; L624-F637 HydrophobicContact CD2-CD1 3.36Å; L624-F637 HydrophobicContact CD2-CD2 4.42Å; L624-F637 HydrophobicContact CD2-CE1 3.63Å; L624-F637 HydrophobicContact CD2-CG 3.78Å; L624-F637 HydrophobicContact CD2-CZ 4.27Å; I635-F637 HydrophobicContact CB-CD2 4.41Å; I635-F637 HydrophobicContact CB-CE2 3.78Å; I635-F637 HydrophobicContact CB-CZ 4.44Å; I635-F637 HydrophobicContact CG2-CD2 3.91Å; I635-F637 HydrophobicContact CG2-CE1 4.46Å; I635-F637 HydrophobicContact CG2-CE2 3.33Å; I635-F637 HydrophobicContact CG2-CZ 3.65Å; I635-F637 WeakPolarHBondContact O-CD2 3.36Å; I635-F637 PolarHBondContact O-N 2.75Å; F637-T654 HydrophobicContact CD2-CG2 3.92Å; F637-T654 HydrophobicContact CE2-CG2 3.92Å; F637-A657 HydrophobicContact CD1-CB 4.46Å; F637-A657 HydrophobicContact CE1-CB 3.6Å; F637-A657 HydrophobicContact CZ-CB 3.99Å
638	Q	98.3	Very high	96.4	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.065	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.4	169.9	-174.8	175.7	30.5	0	0	110.4	G577 M578 T579 L621 Q622 K623	G577-Q638 PolarHBondContact O-NE2 3.24Å; M578-Q638 WeakPolarHBondContact O-CA 3.31Å; T579-Q638 HydrophobicContact CG2-CB 3.98Å; T579-Q638 HydrophobicContact CG2-CG 3.96Å; L621-Q638 WeakPolarHBondContact CD1-O 3.26Å; Q622-Q638 PolarHBondContact N-O 2.95Å; K623-Q638 HydrophobicContact CG-CB 3.85Å; K623-Q638 PolarHBondContact O-N 3.45Å
639	C	97	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.9	-171.2	155.5	0	0	0	0	112.1	G577 M578 F612 R620 I650	G577-C639 CarbonylContact C-O 3.59Å; G577-C639 VanDerWaalsContact CA-O 3.31Å; G577-C639 WeakPolarHBondContact CA-O 3.25Å; M578-C639 PolarHBondContact N-O 3.47Å; M578-C639 PolarHBondContact O-N 3.37Å; F612-C639 HydrophobicContact CE1-CB 3.62Å; F612-C639 WeakPolarHBondContact CE1-SG 3.3Å; F612-C639 HydrophobicContact CZ-CB 3.61Å; R620-C639 PolarHBondContact N-SG 3Å; R620-C639 VanDerWaalsContact N-SG 3.38Å; R620-C639 VanDerWaalsContact O-CA 3.23Å; R620-C639 WeakPolarHBondContact O-CA 3.3Å; C639-I650 HydrophobicContact CB-CD1 4.02Å
640	R	96.5	Very high	96.2	Very high	140 Å²	140	39.2 Å²	39.2	53%	0.528	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.4	168.2	-68.8	-172.7	173.9	175.4	-1.1	111.2	A619 R620 Q622	A619-R640 WeakPolarHBondContact CA-O 3.47Å; R620-R640 PolarHBondContact N-O 3.44Å; R620-R640 PolarHBondContact O-N 2.99Å; Q622-R640 HydrophobicContact CG-CG 4.26Å
641	T	94.6	Very high	96.2	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.031	19%	0.192	C	C	.	.			trans	-122.6	12.4	-172	52.4	0	0	0	0	113.8	M578 A644 M649	M578-T641 HydrophobicContact CB-CG2 3.97Å; T641-A644 WeakPolarHBondContact CB-O 3.24Å; T641-A644 PolarHBondContact O-N 2.92Å; T641-A644 PolarHBondContact OG1-O 3.26Å; T641-M649 HydrophobicContact CG2-SD 4.32Å
642	G	93.6	Very high	96.2	Very high	30 Å²	30	38.2 Å²	38.2	31%	0.309	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	-137.2	-170.7	0	0	0	0	0	110.6	A644	G642-A644 VanDerWaalsContact C-N 3.31Å
643	D	94.9	Very high	96.1	Very high	111 Å²	111	36.6 Å²	36.6	59%	0.594	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.8	179	-61.5	-53.6	0	0	0	113.9	G793 T794 V795	D643-G793 CarbonylContact O-C 3.52Å; D643-G793 WeakPolarHBondContact O-CA 3.26Å; D643-T794 PolarHBondContact O-N 3.29Å; D643-V795 HydrophobicContact CB-CG1 4.42Å; D643-V795 HydrophobicContact CB-CG2 4.22Å
644	A	93.8	Very high	96.1	Very high	20 Å²	20	36.6 Å²	36.6	17%	0.165	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-78.7	144	174.4	0	0	0	0	0	109.7	T641 G642 G646 M649 V795	T641-A644 WeakPolarHBondContact CB-O 3.24Å; T641-A644 PolarHBondContact O-N 2.92Å; T641-A644 PolarHBondContact OG1-O 3.26Å; G642-A644 VanDerWaalsContact C-N 3.31Å; A644-G646 PolarHBondContact O-N 3.43Å; A644-M649 HydrophobicContact CB-CE 4.37Å; A644-V795 HydrophobicContact CB-CG2 3.81Å
645	M	95.4	Very high	96.1	Very high	35 Å²	35	38.5 Å²	38.5	17%	0.172	20%	0.198	C	C	.	.			trans	-59.2	-36	167.9	-174.7	-80.8	-72.1	0	0	110.2	M578 M647 Q760 E791	M578-M645 HydrophobicContact CE-CG 4.06Å; M578-M645 WeakPolarHBondContact CE-O 3.4Å; M578-M645 HydrophobicContact CE-SD 3.61Å; M578-M645 WeakPolarHBondContact CG-O 3.41Å; M578-M645 HydrophobicContact SD-SD 4.48Å; M645-M647 HydrophobicContact CE-CB 3.95Å; M645-M647 HydrophobicContact CE-CG 3.45Å; M645-M647 VanDerWaalsContact CE-CG 3.45Å; M645-M647 HydrophobicContact SD-CB 4.24Å; M645-M647 HydrophobicContact SD-CG 3.36Å; M645-M647 WeakPolarHBondContact SD-CG 2.99Å; M645-M647 HydrophobicContact SD-SD 4.43Å; M645-Q760 VanDerWaalsContact CE-NE2 3.26Å; M645-Q760 PolarHBondContact SD-NE2 3.37Å; M645-E791 HydrophobicContact CG-CB 4.38Å
646	G	92.9	Very high	96	Very high	9 Å²	9	42.7 Å²	42.7	9%	0.093	22%	0.216	C	C	.	.			trans	94.2	8.2	154.5	0	0	0	0	0	117.1	A644 N648 M649 I650	A644-G646 PolarHBondContact O-N 3.43Å; G646-N648 PolarHBondContact O-N 3.06Å; G646-M649 WeakPolarHBondContact O-CB 3.33Å; G646-M649 PolarHBondContact O-N 3Å; G646-M649 VanDerWaalsContact O-N 3.11Å; G646-I650 WeakPolarHBondContact O-CG2 3.3Å; G646-I650 PolarHBondContact O-N 3.48Å
647	M	93.3	Very high	96	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-40.3	-178.2	-74.4	-56.8	-88.4	0	0	115.4	M578 R580 M645 I650 S651 D680 R692	M578-M647 HydrophobicContact CG-SD 3.75Å; M578-M647 HydrophobicContact SD-SD 3.54Å; R580-M647 VanDerWaalsContact CZ-CE 3.42Å; R580-M647 PolarHBondContact NH2-O 3.39Å; M645-M647 HydrophobicContact CE-CB 3.95Å; M645-M647 HydrophobicContact CE-CG 3.45Å; M645-M647 VanDerWaalsContact CE-CG 3.45Å; M645-M647 HydrophobicContact SD-CB 4.24Å; M645-M647 HydrophobicContact SD-CG 3.36Å; M645-M647 WeakPolarHBondContact SD-CG 2.99Å; M645-M647 HydrophobicContact SD-SD 4.43Å; M647-I650 VanDerWaalsContact O-CG2 3.29Å; M647-I650 WeakPolarHBondContact O-CG2 3.38Å; M647-I650 HydrophobicContact SD-CG2 4.22Å; M647-S651 PolarHBondContact O-N 3.17Å; M647-S651 VanDerWaalsContact O-N 3.13Å; M647-S651 PolarHBondContact O-OG 2.87Å; M647-D680 HydrophobicContact CE-CB 3.74Å; M647-D680 WeakPolarHBondContact CE-OD2 3.31Å; M647-R692 PolarHBondContact SD-NH2 3.42Å
648	N	93.1	Very high	96	Very high	147 Å²	147	42.7 Å²	42.7	79%	0.786	22%	0.216	S	C	*	.	H	α-helix	trans	-71.8	-37.4	177.1	-67	-16.5	0	0	0	111.4	G646 K652	G646-N648 PolarHBondContact O-N 3.06Å; N648-K652 PolarHBondContact O-N 2.85Å; N648-K652 VanDerWaalsContact O-N 3.15Å
649	M	94.3	Very high	96	Very high	37 Å²	37	45 Å²	45	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-48.6	178.4	-170.9	-173.9	-53.3	0	0	110.9	S616 F618 A619 T641 A644 G646 K652 G653	S616-M649 PolarHBondContact OG-SD 2.97Å; S616-M649 VanDerWaalsContact OG-SD 3.36Å; F618-M649 HydrophobicContact CB-CE 4.02Å; F618-M649 HydrophobicContact CB-SD 3.95Å; F618-M649 HydrophobicContact CD2-CE 4.19Å; A619-M649 HydrophobicContact CB-CG 4.13Å; A619-M649 HydrophobicContact CB-SD 3.96Å; T641-M649 HydrophobicContact CG2-SD 4.32Å; A644-M649 HydrophobicContact CB-CE 4.37Å; G646-M649 WeakPolarHBondContact O-CB 3.33Å; G646-M649 PolarHBondContact O-N 3Å; G646-M649 VanDerWaalsContact O-N 3.11Å; M649-K652 PolarHBondContact O-N 3.47Å; M649-G653 PolarHBondContact O-N 2.98Å
650	I	96.8	Very high	96	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-36.8	-179.1	-166.8	157.9	0	0	0	112.2	M578 T579 R580 F612 C639 G646 M647 K652 G653 T654	M578-I650 VanDerWaalsContact C-CD1 3.44Å; M578-I650 HydrophobicContact CB-CD1 4.41Å; M578-I650 HydrophobicContact CG-CD1 4.45Å; M578-I650 HydrophobicContact CG-CG2 4.23Å; M578-I650 WeakPolarHBondContact O-CD1 3.26Å; T579-I650 VanDerWaalsContact C-CD1 3.46Å; T579-I650 VanDerWaalsContact CA-CD1 3.44Å; R580-I650 HydrophobicContact CB-CD1 4.22Å; R580-I650 HydrophobicContact CB-CG1 3.76Å; R580-I650 HydrophobicContact CB-CG2 4.1Å; F612-I650 HydrophobicContact CE2-CG1 4.19Å; F612-I650 HydrophobicContact CZ-CG1 3.93Å; C639-I650 HydrophobicContact CB-CD1 4.02Å; G646-I650 WeakPolarHBondContact O-CG2 3.3Å; G646-I650 PolarHBondContact O-N 3.48Å; M647-I650 VanDerWaalsContact O-CG2 3.29Å; M647-I650 WeakPolarHBondContact O-CG2 3.38Å; M647-I650 HydrophobicContact SD-CG2 4.22Å; I650-K652 VanDerWaalsContact C-N 3.35Å; I650-K652 PolarHBondContact O-N 3.24Å; I650-G653 PolarHBondContact O-N 3.19Å; I650-T654 WeakPolarHBondContact O-CB 3.43Å; I650-T654 PolarHBondContact O-N 2.66Å; I650-T654 PolarHBondContact O-OG1 3.11Å
651	S	96.7	Very high	96	Very high	22 Å²	22	41.6 Å²	41.6	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-46.6	174	-66.5	0	0	0	0	111.6	R580 M647 G653 T654 E655	R580-S651 VanDerWaalsContact CZ-OG 3.3Å; R580-S651 PolarHBondContact NE-OG 2.92Å; R580-S651 PolarHBondContact NH2-OG 3.34Å; M647-S651 PolarHBondContact O-N 3.17Å; M647-S651 VanDerWaalsContact O-N 3.13Å; M647-S651 PolarHBondContact O-OG 2.87Å; S651-G653 PolarHBondContact O-N 3.22Å; S651-T654 PolarHBondContact O-N 2.97Å; S651-E655 WeakPolarHBondContact O-CG 3.5Å; S651-E655 PolarHBondContact O-N 3.38Å
652	K	97.2	Very high	96.2	Very high	115 Å²	115	44.9 Å²	44.9	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-41.3	178	-172.4	-176	-178.3	-173.8	0	112.2	N648 M649 I650 E655 K656	N648-K652 PolarHBondContact O-N 2.85Å; N648-K652 VanDerWaalsContact O-N 3.15Å; M649-K652 PolarHBondContact O-N 3.47Å; I650-K652 VanDerWaalsContact C-N 3.35Å; I650-K652 PolarHBondContact O-N 3.24Å; K652-E655 PolarHBondContact O-N 3.22Å; K652-K656 PolarHBondContact O-N 3.04Å
653	G	97.6	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-45.5	174	0	0	0	0	0	111.8	F612 S615 M649 I650 S651 E655 K656 A657	F612-G653 VanDerWaalsContact CD2-O 3.28Å; F612-G653 WeakPolarHBondContact CD2-O 3.44Å; S615-G653 VanDerWaalsContact OG-CA 3.31Å; S615-G653 WeakPolarHBondContact OG-CA 3.43Å; M649-G653 PolarHBondContact O-N 2.98Å; I650-G653 PolarHBondContact O-N 3.19Å; S651-G653 PolarHBondContact O-N 3.22Å; G653-E655 PolarHBondContact O-N 2.77Å; G653-K656 PolarHBondContact O-N 2.83Å; G653-A657 WeakPolarHBondContact O-CB 3.42Å; G653-A657 PolarHBondContact O-N 3.46Å
654	T	98.2	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-42.5	177.2	-65.8	0	0	0	0	111.9	R580 P582 F637 I650 S651 K656 A657 L658 V673	R580-T654 HydrophobicContact CG-CG2 4Å; P582-T654 HydrophobicContact CB-CG2 4.31Å; P582-T654 HydrophobicContact CG-CG2 3.69Å; F637-T654 HydrophobicContact CD2-CG2 3.92Å; F637-T654 HydrophobicContact CE2-CG2 3.92Å; I650-T654 WeakPolarHBondContact O-CB 3.43Å; I650-T654 PolarHBondContact O-N 2.66Å; I650-T654 PolarHBondContact O-OG1 3.11Å; S651-T654 PolarHBondContact O-N 2.97Å; T654-K656 PolarHBondContact O-N 3.17Å; T654-A657 WeakPolarHBondContact O-CB 3.2Å; T654-A657 PolarHBondContact O-N 3.4Å; T654-L658 HydrophobicContact CG2-CD1 3.95Å; T654-L658 HydrophobicContact CG2-CG 4.12Å; T654-L658 WeakPolarHBondContact O-CB 3.42Å; T654-L658 VanDerWaalsContact O-CG 3.24Å; T654-L658 WeakPolarHBondContact O-CG 3.31Å; T654-L658 PolarHBondContact O-N 3.38Å; T654-V673 HydrophobicContact CG2-CG1 4.24Å
655	E	97.9	Very high	96.6	Very high	103 Å²	103	49.4 Å²	49.4	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-59.2	-46.8	176.5	-76.4	171.5	-168	0	0	111.8	S651 K652 G653 A657 L658 S659 V673	S651-E655 WeakPolarHBondContact O-CG 3.5Å; S651-E655 PolarHBondContact O-N 3.38Å; K652-E655 PolarHBondContact O-N 3.22Å; G653-E655 PolarHBondContact O-N 2.77Å; E655-A657 PolarHBondContact O-N 2.94Å; E655-L658 PolarHBondContact O-N 2.96Å; E655-S659 PolarHBondContact O-N 3.43Å; E655-S659 PolarHBondContact O-OG 3.01Å; E655-S659 VanDerWaalsContact O-OG 3.13Å; E655-V673 HydrophobicContact CG-CG1 4.24Å; E655-V673 HydrophobicContact CG-CG2 3.92Å
656	K	97.6	Very high	96.7	Very high	88 Å²	88	53 Å²	53	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-42.9	175.3	-71.7	-162.3	-178	-170.8	0	112.4	N614 K652 G653 T654 S659 R660	N614-K656 PolarHBondContact O-NZ 3.23Å; K652-K656 PolarHBondContact O-N 3.04Å; G653-K656 PolarHBondContact O-N 2.83Å; T654-K656 PolarHBondContact O-N 3.17Å; K656-S659 PolarHBondContact O-N 3.02Å; K656-R660 PolarHBondContact O-N 3.14Å
657	A	98.1	Very high	96.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-43	176.5	0	0	0	0	0	112.1	I608 F612 F637 G653 T654 E655 R660 L661	I608-A657 HydrophobicContact CG2-CB 3.89Å; F612-A657 HydrophobicContact CB-CB 4.24Å; F612-A657 HydrophobicContact CD2-CB 4.24Å; F637-A657 HydrophobicContact CD1-CB 4.46Å; F637-A657 HydrophobicContact CE1-CB 3.6Å; F637-A657 HydrophobicContact CZ-CB 3.99Å; G653-A657 WeakPolarHBondContact O-CB 3.42Å; G653-A657 PolarHBondContact O-N 3.46Å; T654-A657 WeakPolarHBondContact O-CB 3.2Å; T654-A657 PolarHBondContact O-N 3.4Å; E655-A657 PolarHBondContact O-N 2.94Å; A657-R660 PolarHBondContact O-N 3.27Å; A657-L661 WeakPolarHBondContact O-CB 3.46Å; A657-L661 PolarHBondContact O-N 3.32Å
658	L	98.1	Very high	97	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-39.2	176.4	-68.5	178.2	0	0	0	111.5	P582 V584 I635 T654 E655 R660 L661 Q662 V670	P582-L658 HydrophobicContact CB-CD1 3.79Å; P582-L658 HydrophobicContact CB-CD2 4.45Å; P582-L658 HydrophobicContact CG-CD1 4.11Å; P582-L658 HydrophobicContact CG-CD2 4.17Å; V584-L658 HydrophobicContact CG1-CD2 3.77Å; I635-L658 HydrophobicContact CD1-CD2 4.42Å; T654-L658 HydrophobicContact CG2-CD1 3.95Å; T654-L658 HydrophobicContact CG2-CG 4.12Å; T654-L658 WeakPolarHBondContact O-CB 3.42Å; T654-L658 VanDerWaalsContact O-CG 3.24Å; T654-L658 WeakPolarHBondContact O-CG 3.31Å; T654-L658 PolarHBondContact O-N 3.38Å; E655-L658 PolarHBondContact O-N 2.96Å; L658-R660 VanDerWaalsContact C-N 3.34Å; L658-R660 PolarHBondContact O-N 2.98Å; L658-L661 HydrophobicContact CD2-CD2 4.47Å; L658-L661 WeakPolarHBondContact O-CB 3.27Å; L658-L661 PolarHBondContact O-N 3.24Å; L658-Q662 WeakPolarHBondContact O-CG 3.36Å; L658-Q662 PolarHBondContact O-N 3.41Å; L658-V670 HydrophobicContact CB-CG2 4.07Å; L658-V670 HydrophobicContact CD1-CG1 3.88Å; L658-V670 HydrophobicContact CD1-CG2 4.14Å
659	S	97.7	Very high	97.3	Very high	64 Å²	64	55.8 Å²	55.8	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-40.7	173.2	-60.7	0	0	0	0	112.2	E655 K656 Q662 Q663	E655-S659 PolarHBondContact O-N 3.43Å; E655-S659 PolarHBondContact O-OG 3.01Å; E655-S659 VanDerWaalsContact O-OG 3.13Å; K656-S659 PolarHBondContact O-N 3.02Å; S659-Q662 PolarHBondContact O-N 3.37Å; S659-Q663 WeakPolarHBondContact O-CG 3.18Å; S659-Q663 PolarHBondContact O-N 2.91Å
660	R	97.6	Very high	97.4	Very high	67 Å²	67	56.1 Å²	56.1	25%	0.253	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-42.8	172.6	177.7	60.1	62.3	86.4	1.7	111.3	D607 I608 A611 K656 A657 L658 Q662 Q663 H664	D607-R660 IonicContact OD1-CZ 2.67Å; D607-R660 IonicContact OD1-NH1 3.8Å; D607-R660 PolarHBondContact OD1-NH1 3.32Å; D607-R660 WeakPolarHBondContact OD2-CG 3.44Å; I608-R660 HydrophobicContact CD1-CB 4.25Å; I608-R660 HydrophobicContact CD1-CG 4.04Å; A611-R660 HydrophobicContact CB-CB 3.68Å; A611-R660 HydrophobicContact CB-CG 3.92Å; K656-R660 PolarHBondContact O-N 3.14Å; A657-R660 PolarHBondContact O-N 3.27Å; L658-R660 VanDerWaalsContact C-N 3.34Å; L658-R660 PolarHBondContact O-N 2.98Å; R660-Q662 VanDerWaalsContact C-N 3.31Å; R660-Q662 PolarHBondContact O-N 3.03Å; R660-Q663 WeakPolarHBondContact O-CB 3.41Å; R660-Q663 PolarHBondContact O-N 3.25Å; R660-Q663 VanDerWaalsContact O-N 3.08Å; R660-H664 PolarHBondContact O-N 2.64Å
661	L	97.4	Very high	97.5	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-37.3	178	-168.9	64.2	0	0	0	112.4	V595 W598 L599 I608 I635 A657 L658 Q663 H664 F665 L668	V595-L661 HydrophobicContact CG1-CD1 4.17Å; V595-L661 HydrophobicContact CG1-CD2 4.28Å; W598-L661 HydrophobicContact CE3-CD1 3.91Å; W598-L661 HydrophobicContact CH2-CD1 4.5Å; W598-L661 HydrophobicContact CZ3-CD1 3.53Å; L599-L661 HydrophobicContact CD1-CD2 4.37Å; L599-L661 HydrophobicContact CD2-CD1 3.91Å; L599-L661 HydrophobicContact CG-CD1 4.34Å; I608-L661 HydrophobicContact CD1-CB 3.98Å; I608-L661 HydrophobicContact CD1-CD1 4.15Å; I635-L661 HydrophobicContact CD1-CD2 3.81Å; A657-L661 WeakPolarHBondContact O-CB 3.46Å; A657-L661 PolarHBondContact O-N 3.32Å; L658-L661 HydrophobicContact CD2-CD2 4.47Å; L658-L661 WeakPolarHBondContact O-CB 3.27Å; L658-L661 PolarHBondContact O-N 3.24Å; L661-Q663 VanDerWaalsContact C-N 3.26Å; L661-Q663 PolarHBondContact O-N 3.31Å; L661-H664 PolarHBondContact O-N 3.05Å; L661-F665 HydrophobicContact CD1-CD2 3.88Å; L661-F665 HydrophobicContact CD1-CE2 4.11Å; L661-F665 HydrophobicContact CG-CD2 4.42Å; L661-F665 PolarHBondContact O-N 3.44Å; L661-L668 HydrophobicContact CD2-CD1 3.64Å; L661-L668 HydrophobicContact CG-CD1 3.86Å
662	Q	97.6	Very high	97.6	Very high	73 Å²	73	59.9 Å²	59.9	34%	0.341	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-23.8	174.7	-73.5	-176.6	-60.4	0	0	113.4	L658 S659 R660 F665 P666 L668 V670	L658-Q662 WeakPolarHBondContact O-CG 3.36Å; L658-Q662 PolarHBondContact O-N 3.41Å; S659-Q662 PolarHBondContact O-N 3.37Å; R660-Q662 VanDerWaalsContact C-N 3.31Å; R660-Q662 PolarHBondContact O-N 3.03Å; Q662-F665 CarbonylContact O-C 3.5Å; Q662-F665 VanDerWaalsContact O-C 3.3Å; Q662-P666 WeakPolarHBondContact O-CA 3.19Å; Q662-L668 HydrophobicContact CG-CD2 3.66Å; Q662-L668 PolarHBondContact NE2-O 3.18Å; Q662-V670 HydrophobicContact CG-CG2 4.42Å
663	Q	97.3	Very high	97.6	Very high	137 Å²	137	56.4 Å²	56.4	64%	0.64	29%	0.292	S	S	*	.	H	α-helix	trans	-70.4	-38.4	174.2	-67.6	170.8	-15	0	0	111.5	S659 R660 L661	S659-Q663 WeakPolarHBondContact O-CG 3.18Å; S659-Q663 PolarHBondContact O-N 2.91Å; R660-Q663 WeakPolarHBondContact O-CB 3.41Å; R660-Q663 PolarHBondContact O-N 3.25Å; R660-Q663 VanDerWaalsContact O-N 3.08Å; L661-Q663 VanDerWaalsContact C-N 3.26Å; L661-Q663 PolarHBondContact O-N 3.31Å
664	H	96.5	Very high	97.6	Very high	90 Å²	90	58.6 Å²	58.6	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-76.4	-36.5	175.3	-70.7	-72.8	0	0	0	112.7	W598 D607 R660 L661 P666	W598-H664 AromaticContact CH2-CD2 3.63Å; W598-H664 AromaticContact CH2-NE2 3.92Å; W598-H664 AromaticContact CZ2-CD2 3.77Å; W598-H664 AromaticContact CZ2-CG 3.99Å; W598-H664 AromaticContact CZ2-NE2 3.8Å; D607-H664 IonicContact OD2-CD2 2.68Å; D607-H664 PolarHBondContact OD2-CD2 3.41Å; D607-H664 IonicContact OD2-CE1 3.2Å; D607-H664 IonicContact OD2-NE2 2.67Å; D607-H664 PolarHBondContact OD2-NE2 3.45Å; R660-H664 PolarHBondContact O-N 2.64Å; L661-H664 PolarHBondContact O-N 3.05Å; H664-P666 WeakPolarHBondContact O-CD 3.41Å
665	F	97.2	Very high	97.5	Very high	30 Å²	30	59.4 Å²	59.4	13%	0.132	32%	0.316	C	S	.	.			trans	-124.4	82.7	-179.1	-57.8	-79.9	0	0	0	110.4	V595 W598 L661 Q662 E667 L668	V595-F665 HydrophobicContact CB-CE2 4.48Å; V595-F665 HydrophobicContact CG1-CD2 4.31Å; V595-F665 HydrophobicContact CG1-CE2 4.31Å; V595-F665 HydrophobicContact CG2-CB 4.27Å; V595-F665 HydrophobicContact CG2-CD1 3.57Å; V595-F665 HydrophobicContact CG2-CD2 3.77Å; V595-F665 HydrophobicContact CG2-CE1 3.74Å; V595-F665 HydrophobicContact CG2-CE2 3.94Å; V595-F665 HydrophobicContact CG2-CG 3.58Å; V595-F665 HydrophobicContact CG2-CZ 3.92Å; W598-F665 HydrophobicContact CB-CE2 4.34Å; W598-F665 HydrophobicContact CB-CZ 3.97Å; W598-F665 AromaticContact CD2-CE2 3.86Å; W598-F665 HydrophobicContact CD2-CE2 3.86Å; W598-F665 HydrophobicContact CD2-CZ 4.19Å; W598-F665 AromaticContact CE3-CE2 3.85Å; W598-F665 HydrophobicContact CE3-CE2 3.85Å; W598-F665 HydrophobicContact CG-CE2 4.09Å; W598-F665 AromaticContact CG-CZ 3.92Å; W598-F665 HydrophobicContact CG-CZ 3.92Å; W598-F665 HydrophobicContact CZ3-CE2 4.47Å; L661-F665 HydrophobicContact CD1-CD2 3.88Å; L661-F665 HydrophobicContact CD1-CE2 4.11Å; L661-F665 HydrophobicContact CG-CD2 4.42Å; L661-F665 PolarHBondContact O-N 3.44Å; Q662-F665 CarbonylContact O-C 3.5Å; Q662-F665 VanDerWaalsContact O-C 3.3Å; F665-E667 PolarHBondContact O-N 3.22Å; F665-E667 VanDerWaalsContact O-N 3.13Å; F665-L668 HydrophobicContact CB-CB 4.11Å; F665-L668 WeakPolarHBondContact O-CB 3.43Å; F665-L668 PolarHBondContact O-N 3.46Å
666	P	96.9	Very high	97.5	Very high	110 Å²	110	59.1 Å²	59.1	71%	0.714	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.7	-177.1	-25.7	35.2	0	0	0	114.6	Q662 H664 L668	Q662-P666 WeakPolarHBondContact O-CA 3.19Å; H664-P666 WeakPolarHBondContact O-CD 3.41Å; P666-L668 PolarHBondContact O-N 2.84Å
667	E	96.3	Very high	97.6	Very high	119 Å²	119	57.9 Å²	57.9	56%	0.556	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.1	176.4	-54.8	-176.9	140.9	0	0	113.1	P587 F665 Q669	P587-E667 HydrophobicContact CG-CB 3.82Å; P587-E667 HydrophobicContact CG-CG 4.41Å; F665-E667 PolarHBondContact O-N 3.22Å; F665-E667 VanDerWaalsContact O-N 3.13Å; E667-Q669 PolarHBondContact O-N 3.49Å
668	L	97.6	Very high	97.5	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	31%	0.311	C	S	.	.			trans	-77.5	120.1	-179	-174.8	149.6	0	0	0	111.1	V584 L586 V595 L661 Q662 F665 P666 V670	V584-L668 HydrophobicContact CB-CD1 4.26Å; V584-L668 HydrophobicContact CB-CD2 3.84Å; V584-L668 HydrophobicContact CB-CG 4.01Å; V584-L668 HydrophobicContact CG1-CD2 3.92Å; V584-L668 HydrophobicContact CG2-CD1 3.93Å; V584-L668 HydrophobicContact CG2-CD2 4.41Å; V584-L668 HydrophobicContact CG2-CG 4.19Å; L586-L668 HydrophobicContact CD1-CD1 4.26Å; L586-L668 HydrophobicContact CD1-CG 4.41Å; V595-L668 HydrophobicContact CG1-CD1 4.35Å; L661-L668 HydrophobicContact CD2-CD1 3.64Å; L661-L668 HydrophobicContact CG-CD1 3.86Å; Q662-L668 HydrophobicContact CG-CD2 3.66Å; Q662-L668 PolarHBondContact NE2-O 3.18Å; F665-L668 HydrophobicContact CB-CB 4.11Å; F665-L668 WeakPolarHBondContact O-CB 3.43Å; F665-L668 PolarHBondContact O-N 3.46Å; P666-L668 PolarHBondContact O-N 2.84Å; L668-V670 HydrophobicContact CD2-CG2 4.06Å
669	Q	98	Very high	97.5	Very high	106 Å²	106	58.2 Å²	58.2	50%	0.495	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.8	173.5	-173.6	-177.2	20.9	0	0	110.2	V584 R585 E667 V671	V584-Q669 CarbonylContact C-O 3.58Å; V584-Q669 VanDerWaalsContact CA-O 3.3Å; V584-Q669 WeakPolarHBondContact CA-O 3.26Å; R585-Q669 HydrophobicContact CB-CB 4.47Å; R585-Q669 PolarHBondContact N-O 3Å; R585-Q669 PolarHBondContact O-N 3.22Å; E667-Q669 PolarHBondContact O-N 3.49Å; Q669-V671 PolarHBondContact O-N 3.38Å
670	V	98.2	Very high	97.5	Very high	44 Å²	44	56.2 Å²	56.2	27%	0.267	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.9	167.1	-179.2	0	0	0	0	108.2	V584 L658 Q662 L668	V584-V670 HydrophobicContact CG1-CG2 4.29Å; L658-V670 HydrophobicContact CB-CG2 4.07Å; L658-V670 HydrophobicContact CD1-CG1 3.88Å; L658-V670 HydrophobicContact CD1-CG2 4.14Å; Q662-V670 HydrophobicContact CG-CG2 4.42Å; L668-V670 HydrophobicContact CD2-CG2 4.06Å
671	V	97.9	Very high	97.5	Very high	65 Å²	65	56.8 Å²	56.8	39%	0.394	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-45.4	178.7	175.8	0	0	0	0	109.8	V583 R585 Q669	V583-V671 HydrophobicContact CG1-CB 4.08Å; V583-V671 HydrophobicContact CG1-CG1 4.25Å; V583-V671 PolarHBondContact O-N 2.93Å; R585-V671 HydrophobicContact CB-CG2 3.65Å; Q669-V671 PolarHBondContact O-N 3.38Å
672	A	98.1	Very high	97.5	Very high	36 Å²	36	60.3 Å²	60.3	30%	0.298	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.7	173.3	0	0	0	0	0	111.4	P582 V583 S674	P582-A672 VanDerWaalsContact CA-O 3.27Å; P582-A672 WeakPolarHBondContact CA-O 3.47Å; P582-A672 WeakPolarHBondContact CB-O 3.17Å; V583-A672 HydrophobicContact CG1-CB 4.02Å; V583-A672 PolarHBondContact N-O 3.13Å; V583-A672 PolarHBondContact O-N 3.46Å; A672-S674 PolarHBondContact O-N 3.23Å
673	V	97.1	Very high	97.6	Very high	42 Å²	42	62.2 Å²	62.2	26%	0.255	34%	0.336	S	S	.	.	S	Bend	trans	-66.2	-23	172.7	179.9	0	0	0	0	111.7	R580 P582 T654 E655	R580-V673 VanDerWaalsContact CD-O 3.31Å; R580-V673 WeakPolarHBondContact CD-O 3.44Å; R580-V673 HydrophobicContact CG-CG1 4.35Å; P582-V673 WeakPolarHBondContact CA-O 3.16Å; P582-V673 WeakPolarHBondContact CB-O 3.5Å; T654-V673 HydrophobicContact CG2-CG1 4.24Å; E655-V673 HydrophobicContact CG-CG1 4.24Å; E655-V673 HydrophobicContact CG-CG2 3.92Å
674	S	97.5	Very high	97.6	Very high	47 Å²	47	56.9 Å²	56.9	33%	0.329	32%	0.315	S	S	.	.			trans	-127.3	96	172.5	174.8	0	0	0	0	110.5	A672 N676	A672-S674 PolarHBondContact O-N 3.23Å; S674-N676 VanDerWaalsContact C-N 3.26Å; S674-N676 PolarHBondContact O-N 3.44Å
675	G	97.6	Very high	97.7	Very high	17 Å²	17	54.9 Å²	54.9	18%	0.175	31%	0.314	C	S	.	.			trans	-88.8	28.1	174.1	0	0	0	0	0	113.9	G581 Y677	G581-G675 WeakPolarHBondContact O-CA 3.38Å; G581-G675 PolarHBondContact O-N 3.33Å; G675-Y677 PolarHBondContact O-N 2.91Å
676	N	98	Very high	97.7	Very high	97 Å²	97	54.7 Å²	54.7	52%	0.519	31%	0.314	S	S	.	.	S	Bend	trans	59.7	9.3	-175.7	-72.3	-18.8	0	0	0	116.5	S674 C678 T679 K682	S674-N676 VanDerWaalsContact C-N 3.26Å; S674-N676 PolarHBondContact O-N 3.44Å; N676-C678 VanDerWaalsContact C-N 3.32Å; N676-T679 WeakPolarHBondContact O-CB 3.34Å; N676-T679 WeakPolarHBondContact O-CG2 3.33Å; N676-T679 PolarHBondContact O-OG1 2.93Å; N676-K682 WeakPolarHBondContact OD1-CE 3.28Å; N676-K682 PolarHBondContact OD1-NZ 3.39Å
677	Y	98.3	Very high	97.8	Very high	61 Å²	61	49.5 Å²	49.5	24%	0.239	28%	0.28	C	S	.	.			trans	-91.5	11.8	176.1	-157.4	-120.5	0	0	0	113.4	Y634 R636 G675 I686	Y634-Y677 HydrophobicContact CG-CG 4.43Å; R636-Y677 HydrophobicContact CB-CD1 3.76Å; R636-Y677 HydrophobicContact CB-CE1 3.92Å; R636-Y677 WeakPolarHBondContact CD-O 3.4Å; R636-Y677 WeakPolarHBondContact CG-O 3.46Å; G675-Y677 PolarHBondContact O-N 2.91Å; Y677-I686 HydrophobicContact CD1-CD1 4.47Å; Y677-I686 HydrophobicContact CD2-CD1 4.05Å; Y677-I686 HydrophobicContact CE1-CD1 4Å; Y677-I686 HydrophobicContact CE2-CD1 3.53Å; Y677-I686 HydrophobicContact CG-CD1 4.49Å; Y677-I686 VanDerWaalsContact CZ-CD1 3.49Å
678	C	96.6	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-66.6	-60	176.8	-36.3	0	0	0	0	111.6	T579 G581 R636 N676 D680 N687	T579-C678 PolarHBondContact OG1-O 3.41Å; G581-C678 PolarHBondContact N-SG 2.96Å; R636-C678 PolarHBondContact NE-O 3.46Å; R636-C678 PolarHBondContact NH2-O 3.37Å; R636-C678 VanDerWaalsContact NH2-O 3.09Å; N676-C678 VanDerWaalsContact C-N 3.32Å; C678-D680 HydrophobicContact CB-CB 4.42Å; C678-N687 PolarHBondContact O-OD1 3.42Å
679	T	97.9	Very high	98	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.067	29%	0.293	C	S	.	.			cis	-103.1	131	-7.3	-57.2	0	0	0	0	109.9	N676 K682 A684 N687 R692	N676-T679 WeakPolarHBondContact O-CB 3.34Å; N676-T679 WeakPolarHBondContact O-CG2 3.33Å; N676-T679 PolarHBondContact O-OG1 2.93Å; T679-K682 HydrophobicContact CG2-CB 3.85Å; T679-A684 HydrophobicContact CG2-CB 3.86Å; T679-A684 WeakPolarHBondContact OG1-CB 3.5Å; T679-N687 PolarHBondContact N-OD1 3.4Å; T679-N687 PolarHBondContact O-ND2 2.77Å; T679-R692 PolarHBondContact O-NH1 3.47Å
680	D	98.1	Very high	98	Very high	22 Å²	22	50.7 Å²	50.7	12%	0.118	29%	0.285	C	S	.	.			trans	-102.5	127.8	-173.8	-176	50.9	0	0	0	111.9	M647 C678 K682 R692 Q760	M647-D680 HydrophobicContact CE-CB 3.74Å; M647-D680 WeakPolarHBondContact CE-OD2 3.31Å; C678-D680 HydrophobicContact CB-CB 4.42Å; D680-K682 WeakPolarHBondContact O-CD 3.26Å; D680-K682 WeakPolarHBondContact O-CE 3.22Å; D680-K682 PolarHBondContact O-N 3.39Å; D680-K682 PolarHBondContact O-NZ 3.18Å; D680-R692 IonicContact OD1-CZ 3.4Å; D680-R692 IonicContact OD1-NH1 2.62Å; D680-R692 PolarHBondContact OD1-NH1 3.1Å; D680-R692 IonicContact OD1-NH2 3.76Å; D680-R692 PolarHBondContact OD1-NH2 3.15Å; D680-Q760 PolarHBondContact OD1-NE2 3.27Å
681	K	97.8	Very high	98	Very high	80 Å²	80	48.6 Å²	48.6	35%	0.348	27%	0.273	S	S	.	.	S	Bend	trans	59.2	21.8	174.7	-54.3	172.7	-175.9	-162.7	0	115.3	D757 A759 Q760	K681-D757 WeakPolarHBondContact CE-OD2 3.34Å; K681-D757 IonicContact NZ-OD1 2.87Å; K681-D757 PolarHBondContact NZ-OD1 3.06Å; K681-D757 IonicContact NZ-OD2 3.59Å; K681-D757 PolarHBondContact NZ-OD2 3.08Å; K681-A759 HydrophobicContact CD-CB 3.81Å; K681-A759 HydrophobicContact CG-CB 4.12Å; K681-Q760 HydrophobicContact CG-CG 4.12Å
682	K	98.3	Very high	98	Very high	75 Å²	75	45.5 Å²	45.5	33%	0.326	26%	0.255	S	S	.	.	S	Bend	trans	-135.3	144.4	174.7	-73.7	86.8	64.2	-175.9	0	109.4	N676 T679 D680 A684	N676-K682 WeakPolarHBondContact OD1-CE 3.28Å; N676-K682 PolarHBondContact OD1-NZ 3.39Å; T679-K682 HydrophobicContact CG2-CB 3.85Å; D680-K682 WeakPolarHBondContact O-CD 3.26Å; D680-K682 WeakPolarHBondContact O-CE 3.22Å; D680-K682 PolarHBondContact O-N 3.39Å; D680-K682 PolarHBondContact O-NZ 3.18Å; K682-A684 PolarHBondContact O-N 2.92Å
683	P	97.8	Very high	97.9	Very high	113 Å²	113	44 Å²	44	73%	0.734	24%	0.243	S	C	*	.			trans	-64.1	129.2	173.9	28.5	-34	0	0	0	109.2	V762	P683-V762 HydrophobicContact CB-CG1 4.5Å
684	A	98.2	Very high	98	Very high	25 Å²	25	44.1 Å²	44.1	21%	0.207	24%	0.24	C	C	.	.			trans	-153.9	129	-179.2	0	0	0	0	0	111.2	T679 K682 I686 N687	T679-A684 HydrophobicContact CG2-CB 3.86Å; T679-A684 WeakPolarHBondContact OG1-CB 3.5Å; K682-A684 PolarHBondContact O-N 2.92Å; A684-I686 HydrophobicContact CB-CG2 4.03Å; A684-I686 PolarHBondContact O-N 2.96Å; A684-N687 PolarHBondContact O-N 3.42Å
685	A	98.5	Very high	98	Very high	47 Å²	47	42.5 Å²	42.5	39%	0.388	23%	0.228	S	C	.	.	H	α-helix	trans	-57.7	-31	178.5	0	0	0	0	0	112.7	N687 W688 I689 I736	A685-N687 VanDerWaalsContact C-N 3.28Å; A685-N687 PolarHBondContact O-N 2.92Å; A685-W688 WeakPolarHBondContact O-CB 3.03Å; A685-W688 PolarHBondContact O-N 3.27Å; A685-W688 VanDerWaalsContact O-N 3.07Å; A685-I689 HydrophobicContact CB-CD1 4.31Å; A685-I689 WeakPolarHBondContact O-CG1 3.17Å; A685-I689 PolarHBondContact O-N 3.1Å; A685-I736 HydrophobicContact CB-CG2 3.97Å
686	I	98.4	Very high	98.1	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.138	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-35.6	177.7	-163.3	168.6	0	0	0	112.5	L625 Y677 A684 W688 E690	L625-I686 HydrophobicContact CD2-CD1 3.95Å; L625-I686 HydrophobicContact CD2-CG1 4.42Å; Y677-I686 HydrophobicContact CD1-CD1 4.47Å; Y677-I686 HydrophobicContact CD2-CD1 4.05Å; Y677-I686 HydrophobicContact CE1-CD1 4Å; Y677-I686 HydrophobicContact CE2-CD1 3.53Å; Y677-I686 HydrophobicContact CG-CD1 4.49Å; Y677-I686 VanDerWaalsContact CZ-CD1 3.49Å; A684-I686 HydrophobicContact CB-CG2 4.03Å; A684-I686 PolarHBondContact O-N 2.96Å; I686-W688 VanDerWaalsContact C-N 3.33Å; I686-E690 HydrophobicContact CG1-CB 4.43Å; I686-E690 HydrophobicContact CG1-CG 4.1Å; I686-E690 VanDerWaalsContact O-CB 3.25Å; I686-E690 WeakPolarHBondContact O-CB 3.41Å; I686-E690 PolarHBondContact O-N 3.42Å
687	N	98.5	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71.4	-33	175.7	-68.4	-14.7	0	0	0	111.6	R636 C678 T679 A684 A685 G691 R692	R636-N687 PolarHBondContact NH2-OD1 2.78Å; C678-N687 PolarHBondContact O-OD1 3.42Å; T679-N687 PolarHBondContact N-OD1 3.4Å; T679-N687 PolarHBondContact O-ND2 2.77Å; A684-N687 PolarHBondContact O-N 3.42Å; A685-N687 VanDerWaalsContact C-N 3.28Å; A685-N687 PolarHBondContact O-N 2.92Å; N687-G691 CarbonylContact O-C 3.52Å; N687-G691 WeakPolarHBondContact O-CA 3.3Å; N687-G691 PolarHBondContact O-N 3.43Å; N687-R692 HydrophobicContact CB-CB 4.42Å; N687-R692 WeakPolarHBondContact OD1-CD 3.38Å
688	W	98.6	Very high	98.1	Very high	60 Å²	60	39 Å²	39	23%	0.227	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-45.6	176.1	175.7	-111.8	0	0	0	112	A685 I686 I736 F739 N766 I768 P788	A685-W688 WeakPolarHBondContact O-CB 3.03Å; A685-W688 PolarHBondContact O-N 3.27Å; A685-W688 VanDerWaalsContact O-N 3.07Å; I686-W688 VanDerWaalsContact C-N 3.33Å; W688-I736 HydrophobicContact CB-CG2 4.35Å; W688-I736 HydrophobicContact CG-CG2 4.43Å; W688-F739 HydrophobicContact CZ2-CD2 4.29Å; W688-N766 HydrophobicContact CE3-CB 3.87Å; W688-N766 HydrophobicContact CZ3-CB 4.12Å; W688-I768 HydrophobicContact CH2-CB 3.76Å; W688-I768 HydrophobicContact CH2-CG2 3.83Å; W688-I768 HydrophobicContact CZ2-CB 4.31Å; W688-I768 HydrophobicContact CZ2-CG2 4.4Å; W688-P788 HydrophobicContact CD2-CG 4.25Å; W688-P788 HydrophobicContact CE3-CG 3.41Å; W688-P788 VanDerWaalsContact CE3-CG 3.41Å; W688-P788 HydrophobicContact CZ3-CG 3.6Å
689	I	98.4	Very high	98.3	Very high	122 Å²	122	43.2 Å²	43.2	63%	0.626	24%	0.236	S	C	*	.	H	α-helix	trans	-81	-49.6	-173.6	-63.4	165.3	0	0	0	111.4	A685	A685-I689 HydrophobicContact CB-CD1 4.31Å; A685-I689 WeakPolarHBondContact O-CG1 3.17Å; A685-I689 PolarHBondContact O-N 3.1Å
690	E	98.1	Very high	98.3	Very high	73 Å²	73	43.1 Å²	43.1	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-94.7	-7.9	-172.1	-67.7	-70.1	149.8	0	0	113.6	K623 L625 I686	K623-E690 IonicContact NZ-OE2 2.79Å; K623-E690 PolarHBondContact NZ-OE2 3.42Å; L625-E690 HydrophobicContact CD2-CG 3.95Å; I686-E690 HydrophobicContact CG1-CB 4.43Å; I686-E690 HydrophobicContact CG1-CG 4.1Å; I686-E690 VanDerWaalsContact O-CB 3.25Å; I686-E690 WeakPolarHBondContact O-CB 3.41Å; I686-E690 PolarHBondContact O-N 3.42Å
691	G	97.9	Very high	98.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	25%	0.247	C	C	.	.			trans	72.2	168.1	-170.5	0	0	0	0	0	113.8	R636 N687 P788	R636-G691 PolarHBondContact NH2-O 3.31Å; N687-G691 CarbonylContact O-C 3.52Å; N687-G691 WeakPolarHBondContact O-CA 3.3Å; N687-G691 PolarHBondContact O-N 3.43Å; G691-P788 WeakPolarHBondContact CA-O 3.16Å
692	R	98.3	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.			trans	-164.6	129	172.9	-178.8	166.9	178.8	-101.3	-14.7	111.3	M578 T579 M647 T679 D680 N687 P788 S789 E791	M578-R692 HydrophobicContact SD-CG 4.18Å; M578-R692 PolarHBondContact SD-NH2 2.88Å; T579-R692 HydrophobicContact CG2-CG 4.27Å; T579-R692 WeakPolarHBondContact OG1-CD 3.45Å; T579-R692 WeakPolarHBondContact OG1-CG 3.49Å; T579-R692 PolarHBondContact OG1-NE 3.22Å; M647-R692 PolarHBondContact SD-NH2 3.42Å; T679-R692 PolarHBondContact O-NH1 3.47Å; D680-R692 IonicContact OD1-CZ 3.4Å; D680-R692 IonicContact OD1-NH1 2.62Å; D680-R692 PolarHBondContact OD1-NH1 3.1Å; D680-R692 IonicContact OD1-NH2 3.76Å; D680-R692 PolarHBondContact OD1-NH2 3.15Å; N687-R692 HydrophobicContact CB-CB 4.42Å; N687-R692 WeakPolarHBondContact OD1-CD 3.38Å; R692-P788 PolarHBondContact N-O 3.1Å; R692-S789 CarbonylContact O-C 3.53Å; R692-S789 WeakPolarHBondContact O-CA 3.48Å; R692-E791 IonicContact CZ-OE1 2.64Å; R692-E791 IonicContact NH1-OE1 3.59Å; R692-E791 PolarHBondContact NH1-OE1 2.98Å; R692-E791 IonicContact NH1-OE2 3.83Å; R692-E791 PolarHBondContact NH1-OE2 2.8Å; R692-E791 IonicContact NH2-OE1 3.02Å; R692-E791 PolarHBondContact NH2-OE1 3.38Å
693	G	97.2	Very high	98.3	Very high	5 Å²	5	39.4 Å²	39.4	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74	-125.2	-169.9	0	0	0	0	0	109.3	D576 G577	D576-G693 WeakPolarHBondContact CA-O 3.41Å; G577-G693 PolarHBondContact N-O 3.34Å; G577-G693 PolarHBondContact O-N 2.87Å
694	K	98.2	Very high	98.3	Very high	43 Å²	43	35.1 Å²	35.1	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.7	179.5	-53.1	-69.8	169.6	55.1	0	110.2	A575 D576 I790 V792	A575-K694 WeakPolarHBondContact O-CA 3.35Å; D576-K694 HydrophobicContact CB-CD 3.87Å; D576-K694 VanDerWaalsContact CG-CD 3.48Å; D576-K694 WeakPolarHBondContact OD1-CD 3.45Å; D576-K694 WeakPolarHBondContact OD1-CE 3.44Å; D576-K694 WeakPolarHBondContact OD2-CE 3.45Å; K694-I790 HydrophobicContact CB-CB 4.32Å; K694-I790 PolarHBondContact N-O 3.47Å; K694-I790 WeakPolarHBondContact O-CB 3.44Å; K694-I790 PolarHBondContact O-N 3.2Å; K694-V792 HydrophobicContact CG-CG1 4.07Å
695	S	98.6	Very high	98.3	Very high	13 Å²	13	40.2 Å²	40.2	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.7	166.5	-52.5	0	0	0	0	108.3	I573 L574 A575 M787 P788	I573-S695 CarbonylContact C-O 3.56Å; I573-S695 WeakPolarHBondContact CA-O 3.37Å; L574-S695 PolarHBondContact N-O 3Å; A575-S695 PolarHBondContact N-O 3.39Å; A575-S695 PolarHBondContact O-N 3.24Å; S695-M787 WeakPolarHBondContact CA-O 3.36Å; S695-P788 WeakPolarHBondContact CB-O 3.28Å; S695-P788 PolarHBondContact OG-O 3.43Å
696	A	98.6	Very high	98.3	Very high	18 Å²	18	38.5 Å²	38.5	15%	0.149	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.5	-175.8	0	0	0	0	0	111.5	C572 I573 M787 I790	C572-A696 WeakPolarHBondContact O-CA 3.43Å; I573-A696 HydrophobicContact CD1-CB 3.82Å; A696-M787 PolarHBondContact N-O 2.66Å; A696-M787 PolarHBondContact O-N 2.94Å; A696-I790 HydrophobicContact CB-CD1 4.1Å
697	V	98.7	Very high	98.3	Very high	40 Å²	40	37.2 Å²	37.2	24%	0.242	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.6	167.6	62.3	0	0	0	0	109	S571 C572 L574 C785 T786	S571-V697 CarbonylContact C-O 3.27Å; S571-V697 WeakPolarHBondContact CA-O 3.49Å; S571-V697 WeakPolarHBondContact CB-O 3.49Å; C572-V697 HydrophobicContact CB-CG1 4.19Å; C572-V697 PolarHBondContact N-O 2.96Å; C572-V697 PolarHBondContact O-N 3.46Å; L574-V697 HydrophobicContact CD1-CB 4.25Å; L574-V697 HydrophobicContact CD1-CG1 4.1Å; L574-V697 HydrophobicContact CD2-CG1 3.97Å; L574-V697 HydrophobicContact CG-CG1 4.15Å; V697-C785 WeakPolarHBondContact CA-O 3.39Å; V697-T786 WeakPolarHBondContact CG2-OG1 3.48Å
698	C	98.8	Very high	98.3	Very high	43 Å²	43	43 Å²	43	29%	0.291	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.2	175.1	-170.7	0	0	0	0	109.5	S570 S784 C785	S570-C698 CarbonylContact O-C 3.51Å; S570-C698 WeakPolarHBondContact O-CA 3.26Å; S570-C698 PolarHBondContact O-SG 3.37Å; C698-S784 CarbonylContact O-C 3.58Å; C698-S784 VanDerWaalsContact O-CA 3.22Å; C698-S784 WeakPolarHBondContact O-CA 3.49Å; C698-C785 PolarHBondContact N-O 3.35Å; C698-C785 PolarHBondContact O-N 3.28Å
699	E	98.7	Very high	98.2	Very high	89 Å²	89	45.2 Å²	45.2	42%	0.416	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.4	178.7	65.3	-179.8	-177.5	0	0	112.3	A569 S570 Y782 I783	A569-E699 VanDerWaalsContact CA-O 3.28Å; A569-E699 WeakPolarHBondContact CA-O 3.48Å; A569-E699 WeakPolarHBondContact CB-O 3.42Å; S570-E699 PolarHBondContact N-O 2.99Å; S570-E699 PolarHBondContact O-N 3.34Å; E699-Y782 HydrophobicContact CB-CE2 3.95Å; E699-Y782 WeakPolarHBondContact OE2-CE2 3.32Å; E699-Y782 PolarHBondContact OE2-OH 3.28Å; E699-Y782 VanDerWaalsContact OE2-OH 3.05Å; E699-I783 WeakPolarHBondContact CA-O 3.45Å
700	A	98.6	Very high	98.2	Very high	9 Å²	9	40.5 Å²	40.5	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.9	170.8	0	0	0	0	0	110.6	A569 I702 I783	A569-A700 HydrophobicContact CB-CB 4.07Å; A700-I702 HydrophobicContact CB-CD1 4.15Å; A700-I783 HydrophobicContact CB-CG2 4.17Å; A700-I783 PolarHBondContact N-O 2.94Å; A700-I783 WeakPolarHBondContact O-CG2 3.38Å; A700-I783 PolarHBondContact O-N 3.44Å
701	T	98.4	Very high	98.2	Very high	56 Å²	56	39.1 Å²	39.1	34%	0.344	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.9	168.6	-61.6	0	0	0	0	109	S566 D780 L781	S566-T701 WeakPolarHBondContact CB-O 3.36Å; T701-D780 HydrophobicContact CG2-CB 3.92Å; T701-L781 CarbonylContact C-O 3.58Å; T701-L781 WeakPolarHBondContact CA-O 3.49Å
702	I	98.6	Very high	98.2	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.1	-178	-47.3	-57	0	0	0	109.4	A562 I563 A700 V706 V707 D780 L781 I783	A562-I702 HydrophobicContact CB-CG2 4.36Å; I563-I702 HydrophobicContact CG1-CD1 4.03Å; A700-I702 HydrophobicContact CB-CD1 4.15Å; I702-V706 HydrophobicContact CG2-CB 3.99Å; I702-V706 HydrophobicContact CG2-CG1 3.7Å; I702-V707 HydrophobicContact CB-CG2 4.14Å; I702-V707 HydrophobicContact CG2-CG2 3.74Å; I702-D780 WeakPolarHBondContact O-CA 3.43Å; I702-L781 HydrophobicContact CB-CB 4.33Å; I702-L781 PolarHBondContact N-O 3.48Å; I702-L781 PolarHBondContact O-N 3.13Å; I702-I783 HydrophobicContact CG1-CG2 4.33Å
703	S	98.1	Very high	98.2	Very high	39 Å²	39	48.5 Å²	48.5	27%	0.273	26%	0.255	S	S	.	.			trans	-63.7	146.1	-178	68.8	0	0	0	0	112.2	S566 K705 V706 V707 D780	S566-S703 PolarHBondContact OG-N 3Å; S703-K705 PolarHBondContact O-N 3.05Å; S703-K705 VanDerWaalsContact O-N 3.12Å; S703-V706 WeakPolarHBondContact O-CA 3.33Å; S703-V706 PolarHBondContact O-N 2.89Å; S703-V706 WeakPolarHBondContact OG-CG2 3.25Å; S703-V706 PolarHBondContact OG-N 2.96Å; S703-V707 PolarHBondContact O-N 3.2Å; S703-D780 WeakPolarHBondContact CA-OD1 3.15Å
704	A	97.6	Very high	98.3	Very high	23 Å²	23	51.4 Å²	51.4	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-52.7	-38.4	-179.8	0	0	0	0	0	113	V707 Q708 K779 D780	A704-V707 PolarHBondContact O-N 2.98Å; A704-Q708 WeakPolarHBondContact O-CG 3.33Å; A704-Q708 PolarHBondContact O-N 3.43Å; A704-Q708 VanDerWaalsContact O-N 3.11Å; A704-K779 HydrophobicContact CB-CB 3.83Å; A704-K779 WeakPolarHBondContact CB-O 3.49Å; A704-D780 PolarHBondContact N-OD1 3.36Å
705	K	97.9	Very high	98.3	Very high	132 Å²	132	50 Å²	50	57%	0.574	27%	0.266	S	S	*	.	H	α-helix	trans	-60.6	-46	175.8	-176.8	-179.2	178	-177.4	0	111.4	S703 Q708 E709	S703-K705 PolarHBondContact O-N 3.05Å; S703-K705 VanDerWaalsContact O-N 3.12Å; K705-Q708 PolarHBondContact O-N 3.34Å; K705-E709 WeakPolarHBondContact CE-OE1 3.2Å; K705-E709 VanDerWaalsContact CE-OE2 3.28Å; K705-E709 WeakPolarHBondContact CE-OE2 2.9Å; K705-E709 HydrophobicContact CG-CG 4.3Å; K705-E709 IonicContact NZ-OE1 3.94Å; K705-E709 WeakPolarHBondContact O-CB 3.46Å; K705-E709 WeakPolarHBondContact O-CG 3.46Å; K705-E709 PolarHBondContact O-N 3.42Å
706	V	98.3	Very high	98.2	Very high	10 Å²	10	57 Å²	57	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-37.3	179.5	172.6	0	0	0	0	111.3	A562 L565 I702 S703 Q708 V710 L711	A562-V706 HydrophobicContact CB-CG1 3.79Å; L565-V706 HydrophobicContact CB-CG1 4.4Å; L565-V706 HydrophobicContact CB-CG2 3.82Å; L565-V706 HydrophobicContact CD1-CG2 4.37Å; I702-V706 HydrophobicContact CG2-CB 3.99Å; I702-V706 HydrophobicContact CG2-CG1 3.7Å; S703-V706 WeakPolarHBondContact O-CA 3.33Å; S703-V706 PolarHBondContact O-N 2.89Å; S703-V706 WeakPolarHBondContact OG-CG2 3.25Å; S703-V706 PolarHBondContact OG-N 2.96Å; V706-Q708 VanDerWaalsContact C-N 3.3Å; V706-Q708 PolarHBondContact O-N 3.48Å; V706-V710 HydrophobicContact CG1-CB 4.07Å; V706-V710 HydrophobicContact CG1-CG2 3.94Å; V706-V710 WeakPolarHBondContact O-CA 3.32Å; V706-V710 VanDerWaalsContact O-CB 3.28Å; V706-V710 WeakPolarHBondContact O-CB 3.33Å; V706-V710 PolarHBondContact O-N 3.03Å; V706-L711 PolarHBondContact O-N 2.67Å
707	V	98.3	Very high	98.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-44	173.8	179.3	0	0	0	0	110.8	I702 S703 A704 L711 K712 T713 L718 L781	I702-V707 HydrophobicContact CB-CG2 4.14Å; I702-V707 HydrophobicContact CG2-CG2 3.74Å; S703-V707 PolarHBondContact O-N 3.2Å; A704-V707 PolarHBondContact O-N 2.98Å; V707-L711 HydrophobicContact CG2-CD1 4.45Å; V707-L711 CarbonylContact O-C 3.35Å; V707-L711 VanDerWaalsContact O-C 3.29Å; V707-L711 VanDerWaalsContact O-CA 3.32Å; V707-L711 WeakPolarHBondContact O-CA 3.42Å; V707-L711 VanDerWaalsContact O-CB 3.27Å; V707-L711 WeakPolarHBondContact O-CB 3.41Å; V707-L711 PolarHBondContact O-N 3.2Å; V707-L711 VanDerWaalsContact O-N 3.17Å; V707-K712 PolarHBondContact O-N 3.48Å; V707-T713 CarbonylContact C-O 3.56Å; V707-T713 HydrophobicContact CG1-CG2 3.88Å; V707-T713 PolarHBondContact O-N 3.01Å; V707-L718 HydrophobicContact CG1-CD1 3.94Å; V707-L781 HydrophobicContact CG2-CB 4.09Å
708	Q	97.8	Very high	98.2	Very high	121 Å²	121	57.7 Å²	57.7	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-72.9	-48.6	178.5	-68.5	177.4	-0.9	0	0	112.8	A704 K705 V706 K712 T713	A704-Q708 WeakPolarHBondContact O-CG 3.33Å; A704-Q708 PolarHBondContact O-N 3.43Å; A704-Q708 VanDerWaalsContact O-N 3.11Å; K705-Q708 PolarHBondContact O-N 3.34Å; V706-Q708 VanDerWaalsContact C-N 3.3Å; V706-Q708 PolarHBondContact O-N 3.48Å; Q708-K712 VanDerWaalsContact O-CA 3.29Å; Q708-K712 WeakPolarHBondContact O-CA 3.29Å; Q708-K712 PolarHBondContact O-N 3.25Å; Q708-T713 WeakPolarHBondContact CA-O 3.43Å
709	E	98.1	Very high	98.2	Very high	107 Å²	107	56.9 Å²	56.9	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-77.8	-38	-173	-71.4	180	178.2	0	0	112.9	K705 K712	K705-E709 WeakPolarHBondContact CE-OE1 3.2Å; K705-E709 VanDerWaalsContact CE-OE2 3.28Å; K705-E709 WeakPolarHBondContact CE-OE2 2.9Å; K705-E709 HydrophobicContact CG-CG 4.3Å; K705-E709 IonicContact NZ-OE1 3.94Å; K705-E709 WeakPolarHBondContact O-CB 3.46Å; K705-E709 WeakPolarHBondContact O-CG 3.46Å; K705-E709 PolarHBondContact O-N 3.42Å; E709-K712 WeakPolarHBondContact O-CD 3.26Å; E709-K712 WeakPolarHBondContact O-CE 3.43Å; E709-K712 PolarHBondContact O-NZ 3.47Å
710	V	98.1	Very high	98.2	Very high	23 Å²	23	58.7 Å²	58.7	14%	0.139	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-52.1	-176.5	-177.6	0	0	0	0	110.6	R558 R561 A562 L565 V706 K712	R558-V710 HydrophobicContact CG-CG1 4Å; R558-V710 PolarHBondContact NE-O 2.89Å; R558-V710 PolarHBondContact NH2-O 3.45Å; R561-V710 HydrophobicContact CG-CG1 4.33Å; A562-V710 HydrophobicContact CB-CG1 4.17Å; L565-V710 HydrophobicContact CD1-CG2 3.86Å; V706-V710 HydrophobicContact CG1-CB 4.07Å; V706-V710 HydrophobicContact CG1-CG2 3.94Å; V706-V710 WeakPolarHBondContact O-CA 3.32Å; V706-V710 VanDerWaalsContact O-CB 3.28Å; V706-V710 WeakPolarHBondContact O-CB 3.33Å; V706-V710 PolarHBondContact O-N 3.03Å; V710-K712 VanDerWaalsContact C-N 3.31Å; V710-K712 PolarHBondContact O-N 2.95Å
711	L	97.6	Very high	98.2	Very high	45 Å²	45	62.1 Å²	62.1	24%	0.236	32%	0.323	C	S	.	.	S	Bend	trans	-82.1	-9.5	-176.8	-53.5	-179.1	0	0	0	113.3	R558 A562 V706 V707 T713 L718	R558-L711 VanDerWaalsContact NH2-CA 3.28Å; R558-L711 PolarHBondContact NH2-O 2.7Å; A562-L711 HydrophobicContact CB-CD2 3.91Å; A562-L711 HydrophobicContact CB-CG 4.21Å; V706-L711 PolarHBondContact O-N 2.67Å; V707-L711 HydrophobicContact CG2-CD1 4.45Å; V707-L711 CarbonylContact O-C 3.35Å; V707-L711 VanDerWaalsContact O-C 3.29Å; V707-L711 VanDerWaalsContact O-CA 3.32Å; V707-L711 WeakPolarHBondContact O-CA 3.42Å; V707-L711 VanDerWaalsContact O-CB 3.27Å; V707-L711 WeakPolarHBondContact O-CB 3.41Å; V707-L711 PolarHBondContact O-N 3.2Å; V707-L711 VanDerWaalsContact O-N 3.17Å; L711-T713 HydrophobicContact CB-CG2 3.99Å; L711-T713 PolarHBondContact O-N 3.11Å; L711-L718 HydrophobicContact CD1-CD1 4.15Å
712	K	98.3	Very high	98.2	Very high	153 Å²	153	59.6 Å²	59.6	67%	0.665	31%	0.307	S	S	*	.	S	Bend	trans	55.9	39.2	174.6	-51.6	-60.4	-174.6	-173	0	112.1	V707 Q708 E709 V710	V707-K712 PolarHBondContact O-N 3.48Å; Q708-K712 VanDerWaalsContact O-CA 3.29Å; Q708-K712 WeakPolarHBondContact O-CA 3.29Å; Q708-K712 PolarHBondContact O-N 3.25Å; E709-K712 WeakPolarHBondContact O-CD 3.26Å; E709-K712 WeakPolarHBondContact O-CE 3.43Å; E709-K712 PolarHBondContact O-NZ 3.47Å; V710-K712 VanDerWaalsContact C-N 3.31Å; V710-K712 PolarHBondContact O-N 2.95Å
713	T	98.3	Very high	98.3	Very high	45 Å²	45	63 Å²	63	28%	0.276	33%	0.325	S	S	.	.	S	Bend	trans	-151.6	-170	-178.6	-170.2	0	0	0	0	110.3	V707 Q708 L711 L718	V707-T713 CarbonylContact C-O 3.56Å; V707-T713 HydrophobicContact CG1-CG2 3.88Å; V707-T713 PolarHBondContact O-N 3.01Å; Q708-T713 WeakPolarHBondContact CA-O 3.43Å; L711-T713 HydrophobicContact CB-CG2 3.99Å; L711-T713 PolarHBondContact O-N 3.11Å; T713-L718 HydrophobicContact CG2-CD1 3.55Å; T713-L718 HydrophobicContact CG2-CD2 3.99Å; T713-L718 HydrophobicContact CG2-CG 3.6Å
714	T	98.1	Very high	98.3	Very high	66 Å²	66	64.5 Å²	64.5	41%	0.405	34%	0.335	S	S	.	.			trans	-119.5	152.1	174.7	60	0	0	0	0	110.8	E716 A717 L718	T714-E716 VanDerWaalsContact C-N 3.33Å; T714-E716 PolarHBondContact O-N 3.35Å; T714-A717 PolarHBondContact O-N 3.35Å; T714-A717 VanDerWaalsContact OG1-CB 3.3Å; T714-A717 WeakPolarHBondContact OG1-CB 3.34Å; T714-A717 PolarHBondContact OG1-N 3.43Å; T714-L718 PolarHBondContact O-N 3.35Å; T714-L718 VanDerWaalsContact O-N 3.11Å
715	T	98.3	Very high	98.3	Very high	13 Å²	13	67.8 Å²	67.8	8%	0.08	35%	0.345	C	S	.	.	H	α-helix	trans	-55.2	-45.3	176.7	-59.4	0	0	0	0	112.5	L718 I719 K779 D780 L781	T715-L718 PolarHBondContact O-N 2.89Å; T715-I719 HydrophobicContact CG2-CD1 3.69Å; T715-I719 WeakPolarHBondContact O-CD1 3.21Å; T715-I719 VanDerWaalsContact O-CG1 3.32Å; T715-I719 WeakPolarHBondContact O-CG1 3.36Å; T715-I719 PolarHBondContact O-N 3.42Å; T715-K779 WeakPolarHBondContact CB-O 3.38Å; T715-K779 PolarHBondContact OG1-O 3.39Å; T715-D780 WeakPolarHBondContact CG2-O 3.23Å; T715-L781 HydrophobicContact CG2-CB 3.92Å; T715-L781 HydrophobicContact CG2-CD1 4.05Å
716	E	98.1	Very high	98.4	Very high	159 Å²	159	61.8 Å²	61.8	74%	0.743	32%	0.319	S	S	*	.	H	α-helix	trans	-57.3	-51.8	178.1	-176.6	175.5	-168.9	0	0	111.9	T714 L718 I719 E720	T714-E716 VanDerWaalsContact C-N 3.33Å; T714-E716 PolarHBondContact O-N 3.35Å; E716-L718 VanDerWaalsContact C-N 3.29Å; E716-L718 PolarHBondContact O-N 2.85Å; E716-I719 PolarHBondContact O-N 3.43Å; E716-I719 VanDerWaalsContact O-N 3.16Å; E716-E720 PolarHBondContact O-N 3.23Å
717	A	98.4	Very high	98.4	Very high	32 Å²	32	63.7 Å²	63.7	26%	0.264	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-36.7	177.1	0	0	0	0	0	113.1	T714 V721	T714-A717 PolarHBondContact O-N 3.35Å; T714-A717 VanDerWaalsContact OG1-CB 3.3Å; T714-A717 WeakPolarHBondContact OG1-CB 3.34Å; T714-A717 PolarHBondContact OG1-N 3.43Å; A717-V721 WeakPolarHBondContact O-CB 3.36Å; A717-V721 VanDerWaalsContact O-CG2 3.26Å; A717-V721 WeakPolarHBondContact O-CG2 3.46Å; A717-V721 PolarHBondContact O-N 2.92Å
718	L	98.5	Very high	98.4	Very high	42 Å²	42	67.4 Å²	67.4	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-67.3	-41.7	176.1	-77.9	174.5	0	0	0	112.2	V707 L711 T713 T714 T715 E716 V721 N722 M771 L781	V707-L718 HydrophobicContact CG1-CD1 3.94Å; L711-L718 HydrophobicContact CD1-CD1 4.15Å; T713-L718 HydrophobicContact CG2-CD1 3.55Å; T713-L718 HydrophobicContact CG2-CD2 3.99Å; T713-L718 HydrophobicContact CG2-CG 3.6Å; T714-L718 PolarHBondContact O-N 3.35Å; T714-L718 VanDerWaalsContact O-N 3.11Å; T715-L718 PolarHBondContact O-N 2.89Å; E716-L718 VanDerWaalsContact C-N 3.29Å; E716-L718 PolarHBondContact O-N 2.85Å; L718-V721 PolarHBondContact O-N 2.95Å; L718-N722 WeakPolarHBondContact O-CB 3.16Å; L718-N722 PolarHBondContact O-N 3.32Å; L718-M771 HydrophobicContact CB-SD 4.1Å; L718-L781 HydrophobicContact CB-CD1 4.45Å; L718-L781 HydrophobicContact CD1-CD2 3.61Å
719	I	98.8	Very high	98.5	Very high	26 Å²	26	63.1 Å²	63.1	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-46.6	176.8	-66.5	160	0	0	0	110.1	T715 E716 V721 N722 I723 M771 P773 L781	T715-I719 HydrophobicContact CG2-CD1 3.69Å; T715-I719 WeakPolarHBondContact O-CD1 3.21Å; T715-I719 VanDerWaalsContact O-CG1 3.32Å; T715-I719 WeakPolarHBondContact O-CG1 3.36Å; T715-I719 PolarHBondContact O-N 3.42Å; E716-I719 PolarHBondContact O-N 3.43Å; E716-I719 VanDerWaalsContact O-N 3.16Å; I719-V721 VanDerWaalsContact C-N 3.35Å; I719-V721 PolarHBondContact O-N 3.27Å; I719-N722 PolarHBondContact O-N 3.4Å; I719-N722 VanDerWaalsContact O-N 3.14Å; I719-I723 HydrophobicContact CG2-CD1 3.78Å; I719-I723 HydrophobicContact CG2-CG1 4.44Å; I719-I723 WeakPolarHBondContact O-CG1 3.41Å; I719-I723 PolarHBondContact O-N 3.12Å; I719-M771 HydrophobicContact CG1-CB 4.1Å; I719-P773 HydrophobicContact CD1-CB 4.21Å; I719-P773 HydrophobicContact CD1-CG 4.48Å; I719-L781 HydrophobicContact CD1-CD1 4.49Å; I719-L781 HydrophobicContact CG1-CD1 4.02Å
720	E	98.7	Very high	98.5	Very high	126 Å²	126	58.8 Å²	58.8	59%	0.589	32%	0.321	S	S	*	.	H	α-helix	trans	-58.7	-45.7	177.8	-173.6	-178.5	-177.7	0	0	111.6	E716 I723 S724	E716-E720 PolarHBondContact O-N 3.23Å; E720-I723 PolarHBondContact O-N 3.15Å; E720-S724 VanDerWaalsContact O-CB 3.31Å; E720-S724 WeakPolarHBondContact O-CB 3.36Å; E720-S724 PolarHBondContact O-N 2.83Å; E720-S724 PolarHBondContact O-OG 3.4Å; E720-S724 VanDerWaalsContact O-OG 3.14Å
721	V	98.8	Very high	98.4	Very high	82 Å²	82	60.5 Å²	60.5	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-41	175.3	170.2	0	0	0	0	111.1	A717 L718 I719 K725	A717-V721 WeakPolarHBondContact O-CB 3.36Å; A717-V721 VanDerWaalsContact O-CG2 3.26Å; A717-V721 WeakPolarHBondContact O-CG2 3.46Å; A717-V721 PolarHBondContact O-N 2.92Å; L718-V721 PolarHBondContact O-N 2.95Å; I719-V721 VanDerWaalsContact C-N 3.35Å; I719-V721 PolarHBondContact O-N 3.27Å; V721-K725 HydrophobicContact CG1-CB 4.31Å; V721-K725 WeakPolarHBondContact O-CA 3.42Å; V721-K725 WeakPolarHBondContact O-CB 3.33Å; V721-K725 PolarHBondContact O-N 3.37Å
722	N	98.8	Very high	98.5	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.016	36%	0.364	C	S	.	.	I	π-helix	trans	-61.8	-46.4	178.6	-171.3	73.3	0	0	0	111.4	L718 I719 N726 L727 T769 M771	L718-N722 WeakPolarHBondContact O-CB 3.16Å; L718-N722 PolarHBondContact O-N 3.32Å; I719-N722 PolarHBondContact O-N 3.4Å; I719-N722 VanDerWaalsContact O-N 3.14Å; N722-N726 WeakPolarHBondContact O-CA 3.29Å; N722-N726 VanDerWaalsContact O-CB 3.28Å; N722-N726 WeakPolarHBondContact O-CB 3.23Å; N722-N726 PolarHBondContact O-N 3.31Å; N722-N726 PolarHBondContact OD1-ND2 2.85Å; N722-L727 PolarHBondContact O-N 3.3Å; N722-T769 PolarHBondContact ND2-O 3.18Å; N722-T769 PolarHBondContact OD1-O 3.21Å; N722-M771 HydrophobicContact CB-CB 3.99Å; N722-M771 HydrophobicContact CB-CE 4.4Å; N722-M771 HydrophobicContact CB-CG 3.99Å; N722-M771 HydrophobicContact CB-SD 3.89Å
723	I	98.8	Very high	98.4	Very high	77 Å²	77	62.5 Å²	62.5	40%	0.395	37%	0.365	S	S	.	.	I	π-helix	trans	-63.7	-54.7	178.5	-66.2	168.6	0	0	0	110.1	I719 E720 K725 L727 V728	I719-I723 HydrophobicContact CG2-CD1 3.78Å; I719-I723 HydrophobicContact CG2-CG1 4.44Å; I719-I723 WeakPolarHBondContact O-CG1 3.41Å; I719-I723 PolarHBondContact O-N 3.12Å; E720-I723 PolarHBondContact O-N 3.15Å; I723-K725 PolarHBondContact O-N 3.33Å; I723-L727 HydrophobicContact CG1-CD1 4.47Å; I723-L727 WeakPolarHBondContact O-CB 3.28Å; I723-L727 PolarHBondContact O-N 3.49Å; I723-V728 HydrophobicContact CG2-CG2 4.3Å; I723-V728 PolarHBondContact O-N 3.15Å
724	S	98.7	Very high	98.4	Very high	70 Å²	70	63.2 Å²	63.2	49%	0.49	38%	0.381	S	S	.	.	I	π-helix	trans	-67.5	-35.2	-174.8	-63.1	0	0	0	0	112.8	E720 G729	E720-S724 VanDerWaalsContact O-CB 3.31Å; E720-S724 WeakPolarHBondContact O-CB 3.36Å; E720-S724 PolarHBondContact O-N 2.83Å; E720-S724 PolarHBondContact O-OG 3.4Å; E720-S724 VanDerWaalsContact O-OG 3.14Å; S724-G729 WeakPolarHBondContact O-CA 3.46Å; S724-G729 PolarHBondContact O-N 3.07Å
725	K	98.8	Very high	98.4	Very high	92 Å²	92	61.9 Å²	61.9	40%	0.4	37%	0.374	S	S	.	.	I	π-helix	trans	-94.7	-58.5	-175.3	-162.7	-161.8	78.2	62.8	0	113.2	V721 I723 G729 S730 N740	V721-K725 HydrophobicContact CG1-CB 4.31Å; V721-K725 WeakPolarHBondContact O-CA 3.42Å; V721-K725 WeakPolarHBondContact O-CB 3.33Å; V721-K725 PolarHBondContact O-N 3.37Å; I723-K725 PolarHBondContact O-N 3.33Å; K725-G729 WeakPolarHBondContact O-CA 3.25Å; K725-S730 PolarHBondContact O-N 3.42Å; K725-N740 PolarHBondContact NZ-O 3.18Å
726	N	98.7	Very high	98.4	Very high	6 Å²	6	66.2 Å²	66.2	3%	0.032	40%	0.396	C	S	.	.	I	π-helix	trans	-78.4	-29.6	-171.4	-69.1	-21.2	0	0	0	112	N722 S730 F739 N740 A741	N722-N726 WeakPolarHBondContact O-CA 3.29Å; N722-N726 VanDerWaalsContact O-CB 3.28Å; N722-N726 WeakPolarHBondContact O-CB 3.23Å; N722-N726 PolarHBondContact O-N 3.31Å; N722-N726 PolarHBondContact OD1-ND2 2.85Å; N726-S730 VanDerWaalsContact O-CB 3.29Å; N726-S730 WeakPolarHBondContact O-CB 3.26Å; N726-S730 PolarHBondContact O-OG 2.85Å; N726-F739 CarbonylContact O-C 3.57Å; N726-F739 VanDerWaalsContact O-CA 3.26Å; N726-F739 WeakPolarHBondContact O-CA 3.27Å; N726-F739 WeakPolarHBondContact O-CB 3.49Å; N726-F739 WeakPolarHBondContact O-CD1 3.39Å; N726-N740 PolarHBondContact OD1-O 2.94Å; N726-A741 PolarHBondContact OD1-N 2.74Å
727	L	98.6	Very high	98.3	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.257	36%	0.36	S	S	.	.	I	π-helix	trans	-97.6	-72.3	179	-52.5	-178.2	0	0	0	111	N722 I723 S730 A731 I768 L770	N722-L727 PolarHBondContact O-N 3.3Å; I723-L727 HydrophobicContact CG1-CD1 4.47Å; I723-L727 WeakPolarHBondContact O-CB 3.28Å; I723-L727 PolarHBondContact O-N 3.49Å; L727-S730 PolarHBondContact O-N 3.27Å; L727-A731 WeakPolarHBondContact O-CB 3.19Å; L727-A731 PolarHBondContact O-N 3.36Å; L727-I768 HydrophobicContact CD2-CD1 4.32Å; L727-I768 HydrophobicContact CD2-CG1 4.38Å; L727-L770 HydrophobicContact CD1-CD2 4.31Å; L727-L770 HydrophobicContact CD2-CD2 4.07Å
728	V	98.7	Very high	98.3	Very high	78 Å²	78	58.3 Å²	58.3	47%	0.473	36%	0.36	S	S	.	.	I	π-helix	trans	-64.2	-49.1	-174.2	179.9	0	0	0	0	110.6	I723 S730 A731 M732	I723-V728 HydrophobicContact CG2-CG2 4.3Å; I723-V728 PolarHBondContact O-N 3.15Å; V728-S730 PolarHBondContact O-N 2.94Å; V728-A731 WeakPolarHBondContact O-CB 3.33Å; V728-A731 PolarHBondContact O-N 3.35Å; V728-A731 VanDerWaalsContact O-N 3.12Å; V728-M732 HydrophobicContact CG1-CG 4.29Å; V728-M732 VanDerWaalsContact O-CG 3.31Å; V728-M732 WeakPolarHBondContact O-CG 3.37Å; V728-M732 PolarHBondContact O-N 3.38Å
729	G	98.6	Very high	98.3	Very high	32 Å²	32	58.2 Å²	58.2	33%	0.33	36%	0.358	S	S	.	.	I	π-helix	trans	-57.3	-47.3	178	0	0	0	0	0	113.3	S724 K725 A731 M732 A733	S724-G729 WeakPolarHBondContact O-CA 3.46Å; S724-G729 PolarHBondContact O-N 3.07Å; K725-G729 WeakPolarHBondContact O-CA 3.25Å; G729-A731 VanDerWaalsContact C-N 3.34Å; G729-A731 PolarHBondContact O-N 2.85Å; G729-M732 PolarHBondContact O-N 2.87Å; G729-A733 WeakPolarHBondContact O-CB 3.33Å; G729-A733 PolarHBondContact O-N 3.5Å
730	S	98.5	Very high	98.3	Very high	15 Å²	15	58 Å²	58	11%	0.105	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-35.4	175.3	-68.8	0	0	0	0	112.9	K725 N726 L727 V728 A733 G734 S735 G738	K725-S730 PolarHBondContact O-N 3.42Å; N726-S730 VanDerWaalsContact O-CB 3.29Å; N726-S730 WeakPolarHBondContact O-CB 3.26Å; N726-S730 PolarHBondContact O-OG 2.85Å; L727-S730 PolarHBondContact O-N 3.27Å; V728-S730 PolarHBondContact O-N 2.94Å; S730-A733 PolarHBondContact O-N 3.26Å; S730-G734 PolarHBondContact O-N 3Å; S730-S735 VanDerWaalsContact O-CB 3.29Å; S730-S735 WeakPolarHBondContact O-CB 3.3Å; S730-S735 PolarHBondContact O-N 3.47Å; S730-G738 PolarHBondContact OG-O 3.38Å
731	A	97.6	Very high	98.3	Very high	60 Å²	60	55 Å²	55	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.3	0	0	0	0	0	111.6	L727 V728 G729 A733 G734	L727-A731 WeakPolarHBondContact O-CB 3.19Å; L727-A731 PolarHBondContact O-N 3.36Å; V728-A731 WeakPolarHBondContact O-CB 3.33Å; V728-A731 PolarHBondContact O-N 3.35Å; V728-A731 VanDerWaalsContact O-N 3.12Å; G729-A731 VanDerWaalsContact C-N 3.34Å; G729-A731 PolarHBondContact O-N 2.85Å; A731-A733 PolarHBondContact O-N 2.92Å; A731-G734 PolarHBondContact O-N 2.98Å
732	M	98	Very high	98.3	Very high	158 Å²	158	54.9 Å²	54.9	78%	0.778	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-31.6	175.8	-65.1	-49.4	-64.3	0	0	112.3	V728 G729 G734	V728-M732 HydrophobicContact CG1-CG 4.29Å; V728-M732 VanDerWaalsContact O-CG 3.31Å; V728-M732 WeakPolarHBondContact O-CG 3.37Å; V728-M732 PolarHBondContact O-N 3.38Å; G729-M732 PolarHBondContact O-N 2.87Å; M732-G734 VanDerWaalsContact C-N 3.29Å; M732-G734 PolarHBondContact O-N 3.31Å
733	A	97.5	Very high	98.3	Very high	82 Å²	82	55.5 Å²	55.5	68%	0.678	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.1	175.8	0	0	0	0	0	114.2	G729 S730 A731 S735	G729-A733 WeakPolarHBondContact O-CB 3.33Å; G729-A733 PolarHBondContact O-N 3.5Å; S730-A733 PolarHBondContact O-N 3.26Å; A731-A733 PolarHBondContact O-N 2.92Å; A733-S735 VanDerWaalsContact C-N 3.28Å; A733-S735 PolarHBondContact O-N 2.92Å
734	G	97.9	Very high	98.3	Very high	60 Å²	60	53.7 Å²	53.7	62%	0.619	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	27.4	-176.4	0	0	0	0	0	113.8	S730 A731 M732	S730-G734 PolarHBondContact O-N 3Å; A731-G734 PolarHBondContact O-N 2.98Å; M732-G734 VanDerWaalsContact C-N 3.29Å; M732-G734 PolarHBondContact O-N 3.31Å
735	S	98.3	Very high	98.3	Very high	38 Å²	38	52.9 Å²	52.9	27%	0.266	34%	0.339	S	S	.	.			trans	-72.9	136.8	-178.4	-173.3	0	0	0	0	111.9	S730 A733 G738 F739	S730-S735 VanDerWaalsContact O-CB 3.29Å; S730-S735 WeakPolarHBondContact O-CB 3.3Å; S730-S735 PolarHBondContact O-N 3.47Å; A733-S735 VanDerWaalsContact C-N 3.28Å; A733-S735 PolarHBondContact O-N 2.92Å; S735-G738 VanDerWaalsContact OG-CA 3.29Å; S735-G738 WeakPolarHBondContact OG-CA 3.32Å; S735-G738 PolarHBondContact OG-N 3.32Å; S735-F739 WeakPolarHBondContact O-CZ 3.42Å
736	I	98	Very high	98.3	Very high	104 Å²	104	51 Å²	51	53%	0.533	33%	0.333	S	S	.	.	S	Bend	trans	-116.4	114.8	172.5	-57.5	-63.7	0	0	0	108.5	A685 W688 G738	A685-I736 HydrophobicContact CB-CG2 3.97Å; W688-I736 HydrophobicContact CB-CG2 4.35Å; W688-I736 HydrophobicContact CG-CG2 4.43Å; I736-G738 VanDerWaalsContact C-N 3.25Å; I736-G738 PolarHBondContact O-N 2.88Å
737	G	96.4	Very high	98.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	80.7	-7.7	-178	0	0	0	0	0	115.5	F739 N766 C767	G737-F739 PolarHBondContact O-N 2.95Å; G737-N766 CarbonylContact O-C 3.3Å; G737-N766 WeakPolarHBondContact O-CA 3.22Å; G737-C767 PolarHBondContact O-N 3.27Å; G737-C767 VanDerWaalsContact O-O 3.11Å
738	G	98.1	Very high	98.3	Very high	24 Å²	24	50.4 Å²	50.4	25%	0.247	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	44.1	177.3	0	0	0	0	0	114.3	S730 S735 I736 N740	S730-G738 PolarHBondContact OG-O 3.38Å; S735-G738 VanDerWaalsContact OG-CA 3.29Å; S735-G738 WeakPolarHBondContact OG-CA 3.32Å; S735-G738 PolarHBondContact OG-N 3.32Å; I736-G738 VanDerWaalsContact C-N 3.25Å; I736-G738 PolarHBondContact O-N 2.88Å; G738-N740 PolarHBondContact O-N 2.98Å
739	F	98.7	Very high	98.3	Very high	41 Å²	41	46.8 Å²	46.8	18%	0.18	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	48.4	179.3	-63.3	-85.9	0	0	0	111.6	W688 N726 S735 G737 C767 I768 T769	W688-F739 HydrophobicContact CZ2-CD2 4.29Å; N726-F739 CarbonylContact O-C 3.57Å; N726-F739 VanDerWaalsContact O-CA 3.26Å; N726-F739 WeakPolarHBondContact O-CA 3.27Å; N726-F739 WeakPolarHBondContact O-CB 3.49Å; N726-F739 WeakPolarHBondContact O-CD1 3.39Å; S735-F739 WeakPolarHBondContact O-CZ 3.42Å; G737-F739 PolarHBondContact O-N 2.95Å; F739-C767 CarbonylContact C-O 3.55Å; F739-C767 VanDerWaalsContact C-O 3.27Å; F739-C767 PolarHBondContact N-O 3.08Å; F739-C767 VanDerWaalsContact N-O 3.1Å; F739-I768 HydrophobicContact CB-CB 4.03Å; F739-I768 HydrophobicContact CB-CD1 4.33Å; F739-I768 HydrophobicContact CB-CG1 3.85Å; F739-I768 CarbonylContact O-C 3.55Å; F739-I768 WeakPolarHBondContact O-CA 3.34Å; F739-T769 PolarHBondContact O-N 2.87Å
740	N	98.8	Very high	98.3	Very high	22 Å²	22	47.7 Å²	47.7	12%	0.118	31%	0.31	C	S	.	.	S	Bend	trans	-146.6	174.8	-173.9	66.8	87.6	0	0	0	111.3	K725 N726 G738 H742 A743 C767	K725-N740 PolarHBondContact NZ-O 3.18Å; N726-N740 PolarHBondContact OD1-O 2.94Å; G738-N740 PolarHBondContact O-N 2.98Å; N740-H742 PolarHBondContact OD1-N 3.32Å; N740-A743 HydrophobicContact CB-CB 4.46Å; N740-A743 VanDerWaalsContact OD1-CB 3.28Å; N740-A743 WeakPolarHBondContact OD1-CB 3.45Å; N740-A743 PolarHBondContact OD1-N 3.39Å; N740-C767 HydrophobicContact CB-CB 3.92Å; N740-C767 WeakPolarHBondContact CB-O 3.24Å; N740-C767 PolarHBondContact ND2-O 2.72Å
741	A	98.5	Very high	98.3	Very high	61 Å²	61	47.4 Å²	47.4	50%	0.504	31%	0.307	S	S	.	.	S	Bend	trans	-85.3	-55.4	179.4	0	0	0	0	0	113.5	N726	N726-A741 PolarHBondContact OD1-N 2.74Å
742	H	98.4	Very high	98.3	Very high	81 Å²	81	47.6 Å²	47.6	38%	0.375	30%	0.299	S	S	.	.	S	Bend	trans	-158.9	37	-171.1	71.2	130.4	0	0	0	112.9	N740 A744 N745 L746	N740-H742 PolarHBondContact OD1-N 3.32Å; H742-A744 PolarHBondContact O-N 3.02Å; H742-A744 VanDerWaalsContact O-N 3.13Å; H742-N745 HydrophobicContact CB-CB 4.49Å; H742-N745 PolarHBondContact O-N 3.39Å; H742-L746 WeakPolarHBondContact CE1-CD1 3.32Å
743	A	98.7	Very high	98.3	Very high	16 Å²	16	40.3 Å²	40.3	13%	0.132	26%	0.263	C	S	.	.	H	α-helix	trans	-54.7	-35.1	-180	0	0	0	0	0	111.9	N740 N745 L746 V747 C767	N740-A743 HydrophobicContact CB-CB 4.46Å; N740-A743 VanDerWaalsContact OD1-CB 3.28Å; N740-A743 WeakPolarHBondContact OD1-CB 3.45Å; N740-A743 PolarHBondContact OD1-N 3.39Å; A743-N745 VanDerWaalsContact C-N 3.32Å; A743-N745 PolarHBondContact O-N 3.4Å; A743-L746 PolarHBondContact O-N 2.98Å; A743-V747 WeakPolarHBondContact O-CB 3.33Å; A743-V747 VanDerWaalsContact O-CG2 3.31Å; A743-V747 WeakPolarHBondContact O-CG2 3.32Å; A743-V747 PolarHBondContact O-N 3.34Å; A743-C767 HydrophobicContact CB-CB 3.75Å
744	A	98.6	Very high	98.3	Very high	39 Å²	39	36.6 Å²	36.6	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-57.5	-37.6	176.3	0	0	0	0	0	113.8	H742 V747 A748	H742-A744 PolarHBondContact O-N 3.02Å; H742-A744 VanDerWaalsContact O-N 3.13Å; A744-V747 PolarHBondContact O-N 2.99Å; A744-A748 VanDerWaalsContact O-CB 3.24Å; A744-A748 WeakPolarHBondContact O-CB 3.39Å; A744-A748 PolarHBondContact O-N 2.92Å
745	N	98.6	Very high	98.3	Very high	52 Å²	52	34.1 Å²	34.1	28%	0.278	21%	0.207	S	C	.	.	H	α-helix	trans	-65.4	-43.9	179.6	-70.6	12.8	0	0	0	110.9	E549 L552 H742 A743 A749	E549-N745 PolarHBondContact OE1-ND2 3.37Å; E549-N745 PolarHBondContact OE2-ND2 3.13Å; L552-N745 HydrophobicContact CD1-CB 3.77Å; L552-N745 HydrophobicContact CD2-CB 4.11Å; H742-N745 HydrophobicContact CB-CB 4.49Å; H742-N745 PolarHBondContact O-N 3.39Å; A743-N745 VanDerWaalsContact C-N 3.32Å; A743-N745 PolarHBondContact O-N 3.4Å; N745-A749 VanDerWaalsContact O-CB 3.31Å; N745-A749 WeakPolarHBondContact O-CB 3.45Å; N745-A749 PolarHBondContact O-N 3.5Å; N745-A749 VanDerWaalsContact O-N 3.09Å
746	L	98.6	Very high	98.2	Very high	52 Å²	52	33.3 Å²	33.3	27%	0.272	20%	0.199	S	C	.	.	H	α-helix	trans	-67.7	-46.9	178.6	-79.6	73.2	0	0	0	110.9	M545 L552 T556 H742 A743 A749 I750	M545-L746 HydrophobicContact CE-CG 4.44Å; L552-L746 HydrophobicContact CD1-CD1 4.34Å; T556-L746 HydrophobicContact CG2-CD2 4.27Å; H742-L746 WeakPolarHBondContact CE1-CD1 3.32Å; A743-L746 PolarHBondContact O-N 2.98Å; L746-A749 PolarHBondContact O-N 2.91Å; L746-I750 WeakPolarHBondContact O-CB 3.37Å; L746-I750 WeakPolarHBondContact O-CG1 2.92Å; L746-I750 PolarHBondContact O-N 3.46Å
747	V	98.6	Very high	98.2	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.085	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-52.7	178.2	169.5	0	0	0	0	110.3	A743 A744 A749 I750 Y751 M787	A743-V747 WeakPolarHBondContact O-CB 3.33Å; A743-V747 VanDerWaalsContact O-CG2 3.31Å; A743-V747 WeakPolarHBondContact O-CG2 3.32Å; A743-V747 PolarHBondContact O-N 3.34Å; A744-V747 PolarHBondContact O-N 2.99Å; V747-A749 PolarHBondContact O-N 2.66Å; V747-I750 PolarHBondContact O-N 2.9Å; V747-Y751 HydrophobicContact CG1-CD1 3.85Å; V747-Y751 HydrophobicContact CG1-CD2 4.3Å; V747-Y751 HydrophobicContact CG1-CE1 3.71Å; V747-Y751 HydrophobicContact CG1-CE2 4.2Å; V747-Y751 HydrophobicContact CG1-CG 4.15Å; V747-Y751 WeakPolarHBondContact O-CB 3.31Å; V747-Y751 WeakPolarHBondContact O-CD1 3.48Å; V747-Y751 VanDerWaalsContact O-CG 3.26Å; V747-Y751 PolarHBondContact O-N 2.91Å; V747-M787 HydrophobicContact CG2-CE 3.74Å
748	A	98.6	Very high	98.3	Very high	29 Å²	29	33.7 Å²	33.7	24%	0.24	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-44.9	-178.9	0	0	0	0	0	112.2	A744 I750 Y751 I752	A744-A748 VanDerWaalsContact O-CB 3.24Å; A744-A748 WeakPolarHBondContact O-CB 3.39Å; A744-A748 PolarHBondContact O-N 2.92Å; A748-I750 PolarHBondContact O-N 3.48Å; A748-Y751 PolarHBondContact O-N 3.42Å; A748-I752 VanDerWaalsContact O-CG1 3.3Å; A748-I752 WeakPolarHBondContact O-CG1 3.34Å; A748-I752 PolarHBondContact O-N 2.97Å
749	A	98.6	Very high	98.3	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-42.1	-178.1	0	0	0	0	0	112.6	M545 A546 L552 N745 L746 V747 A753	M545-A749 HydrophobicContact CB-CB 4.04Å; M545-A749 HydrophobicContact CE-CB 3.88Å; M545-A749 HydrophobicContact CG-CB 4.49Å; A546-A749 PolarHBondContact N-O 3.06Å; A546-A749 VanDerWaalsContact O-CA 3.31Å; A546-A749 WeakPolarHBondContact O-CA 3.35Å; L552-A749 HydrophobicContact CD2-CB 4.1Å; N745-A749 VanDerWaalsContact O-CB 3.31Å; N745-A749 WeakPolarHBondContact O-CB 3.45Å; N745-A749 PolarHBondContact O-N 3.5Å; N745-A749 VanDerWaalsContact O-N 3.09Å; L746-A749 PolarHBondContact O-N 2.91Å; V747-A749 PolarHBondContact O-N 2.66Å; A749-A753 WeakPolarHBondContact O-CB 3.32Å; A749-A753 PolarHBondContact O-N 3.36Å
750	I	98.6	Very high	98.2	Very high	50 Å²	50	32.7 Å²	32.7	26%	0.256	20%	0.203	S	C	.	.	H	α-helix	trans	-69.7	-39.6	175.8	-64.9	168.7	0	0	0	110.2	V543 M545 L746 V747 A748 A753 C754	V543-I750 HydrophobicContact CG1-CD1 3.71Å; V543-I750 HydrophobicContact CG1-CG1 3.84Å; M545-I750 HydrophobicContact CG-CG1 4.38Å; L746-I750 WeakPolarHBondContact O-CB 3.37Å; L746-I750 WeakPolarHBondContact O-CG1 2.92Å; L746-I750 PolarHBondContact O-N 3.46Å; V747-I750 PolarHBondContact O-N 2.9Å; A748-I750 PolarHBondContact O-N 3.48Å; I750-A753 PolarHBondContact O-N 2.89Å; I750-C754 VanDerWaalsContact O-CB 3.26Å; I750-C754 WeakPolarHBondContact O-CB 3.3Å; I750-C754 PolarHBondContact O-N 3.36Å; I750-C754 PolarHBondContact O-SG 2.96Å; I750-C754 VanDerWaalsContact O-SG 3.35Å
751	Y	98.6	Very high	98.2	Very high	9 Å²	9	33 Å²	33	4%	0.035	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-46.5	-178	-87.2	38.3	0	0	0	111.8	V747 A748 C754 G755 Q756 D757 Q760 S764 I790 E791	V747-Y751 HydrophobicContact CG1-CD1 3.85Å; V747-Y751 HydrophobicContact CG1-CD2 4.3Å; V747-Y751 HydrophobicContact CG1-CE1 3.71Å; V747-Y751 HydrophobicContact CG1-CE2 4.2Å; V747-Y751 HydrophobicContact CG1-CG 4.15Å; V747-Y751 WeakPolarHBondContact O-CB 3.31Å; V747-Y751 WeakPolarHBondContact O-CD1 3.48Å; V747-Y751 VanDerWaalsContact O-CG 3.26Å; V747-Y751 PolarHBondContact O-N 2.91Å; A748-Y751 PolarHBondContact O-N 3.42Å; Y751-C754 PolarHBondContact O-N 2.94Å; Y751-G755 PolarHBondContact O-N 2.82Å; Y751-G755 VanDerWaalsContact O-N 3.09Å; Y751-Q756 HydrophobicContact CD1-CB 4.15Å; Y751-Q756 HydrophobicContact CD1-CG 4.04Å; Y751-Q756 HydrophobicContact CD2-CB 3.52Å; Y751-Q756 HydrophobicContact CD2-CG 4.29Å; Y751-Q756 HydrophobicContact CE1-CG 4.46Å; Y751-Q756 HydrophobicContact CE2-CB 4.08Å; Y751-Q756 HydrophobicContact CG-CB 3.54Å; Y751-Q756 HydrophobicContact CG-CG 3.95Å; Y751-Q756 PolarHBondContact O-N 2.9Å; Y751-D757 WeakPolarHBondContact CD2-O 3.33Å; Y751-Q760 HydrophobicContact CE2-CB 4.41Å; Y751-S764 VanDerWaalsContact OH-CB 3.28Å; Y751-S764 WeakPolarHBondContact OH-CB 3.47Å; Y751-S764 PolarHBondContact OH-OG 3.04Å; Y751-S764 VanDerWaalsContact OH-OG 3.09Å; Y751-I790 WeakPolarHBondContact OH-CG2 3.37Å; Y751-E791 WeakPolarHBondContact CE2-O 3.39Å; Y751-E791 VanDerWaalsContact OH-C 3.32Å; Y751-E791 PolarHBondContact OH-N 3.41Å; Y751-E791 PolarHBondContact OH-O 2.94Å
752	I	98.5	Very high	98.1	Very high	65 Å²	65	32.9 Å²	32.9	33%	0.333	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-45.2	177.3	-65	165.4	0	0	0	110.2	A546 A748 C754 P758	A546-I752 HydrophobicContact CB-CB 3.97Å; A546-I752 HydrophobicContact CB-CG2 3.64Å; A748-I752 VanDerWaalsContact O-CG1 3.3Å; A748-I752 WeakPolarHBondContact O-CG1 3.34Å; A748-I752 PolarHBondContact O-N 2.97Å; I752-C754 VanDerWaalsContact C-N 3.32Å; I752-C754 PolarHBondContact O-N 3.46Å; I752-P758 HydrophobicContact CG1-CB 4.22Å; I752-P758 HydrophobicContact CG1-CG 3.91Å
753	A	98.1	Very high	98	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.033	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-40.1	179.3	0	0	0	0	0	112.5	P544 A546 A749 I750 C807	P544-A753 HydrophobicContact CB-CB 4.24Å; A546-A753 HydrophobicContact CB-CB 3.85Å; A749-A753 WeakPolarHBondContact O-CB 3.32Å; A749-A753 PolarHBondContact O-N 3.36Å; I750-A753 PolarHBondContact O-N 2.89Å; A753-C807 HydrophobicContact CB-CB 4.47Å; A753-C807 WeakPolarHBondContact O-CB 3.38Å; A753-C807 PolarHBondContact O-SG 2.08Å
754	C	97.6	Very high	98	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.034	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	12.3	-172.4	-60.2	0	0	0	0	114	I750 Y751 I752 Q756 L808	I750-C754 VanDerWaalsContact O-CB 3.26Å; I750-C754 WeakPolarHBondContact O-CB 3.3Å; I750-C754 PolarHBondContact O-N 3.36Å; I750-C754 PolarHBondContact O-SG 2.96Å; I750-C754 VanDerWaalsContact O-SG 3.35Å; Y751-C754 PolarHBondContact O-N 2.94Å; I752-C754 VanDerWaalsContact C-N 3.32Å; I752-C754 PolarHBondContact O-N 3.46Å; C754-Q756 VanDerWaalsContact C-N 3.32Å; C754-Q756 HydrophobicContact CB-CG 4.38Å; C754-Q756 PolarHBondContact O-N 2.91Å; C754-Q756 PolarHBondContact O-NE2 3.18Å; C754-L808 HydrophobicContact CB-CD2 3.78Å; C754-L808 HydrophobicContact CB-CG 4.15Å
755	G	96.8	Very high	98	Very high	8 Å²	8	27.6 Å²	27.6	8%	0.082	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	27.6	174.9	0	0	0	0	0	115.3	Y751 G798 T799 Q804	Y751-G755 PolarHBondContact O-N 2.82Å; Y751-G755 VanDerWaalsContact O-N 3.09Å; G755-G798 CarbonylContact O-C 3.53Å; G755-G798 VanDerWaalsContact O-CA 3.3Å; G755-G798 WeakPolarHBondContact O-CA 3.27Å; G755-G798 PolarHBondContact O-N 2.73Å; G755-T799 PolarHBondContact O-N 2.87Å; G755-Q804 VanDerWaalsContact CA-CG 3.43Å
756	Q	97.8	Very high	98	Very high	21 Å²	21	25.7 Å²	25.7	10%	0.098	16%	0.158	C	C	.	.			trans	-78.4	176.2	171.3	-49.8	-55.5	-57.5	0	0	110.5	Y751 C754 P758 V792 G793	Y751-Q756 HydrophobicContact CD1-CB 4.15Å; Y751-Q756 HydrophobicContact CD1-CG 4.04Å; Y751-Q756 HydrophobicContact CD2-CB 3.52Å; Y751-Q756 HydrophobicContact CD2-CG 4.29Å; Y751-Q756 HydrophobicContact CE1-CG 4.46Å; Y751-Q756 HydrophobicContact CE2-CB 4.08Å; Y751-Q756 HydrophobicContact CG-CB 3.54Å; Y751-Q756 HydrophobicContact CG-CG 3.95Å; Y751-Q756 PolarHBondContact O-N 2.9Å; C754-Q756 VanDerWaalsContact C-N 3.32Å; C754-Q756 HydrophobicContact CB-CG 4.38Å; C754-Q756 PolarHBondContact O-N 2.91Å; C754-Q756 PolarHBondContact O-NE2 3.18Å; Q756-P758 VanDerWaalsContact O-CD 3.23Å; Q756-P758 WeakPolarHBondContact O-CD 3.33Å; Q756-V792 HydrophobicContact CG-CG2 4.33Å; Q756-G793 VanDerWaalsContact CD-O 3.29Å; Q756-G793 PolarHBondContact NE2-O 3.4Å; Q756-G793 PolarHBondContact OE1-O 2.76Å
757	D	97.6	Very high	98	Very high	51 Å²	51	23.4 Å²	23.4	27%	0.273	15%	0.146	S	C	.	.			trans	-86.5	107.2	174.9	-173	-32.2	0	0	0	110.5	K681 Y751 A759 Q760	K681-D757 WeakPolarHBondContact CE-OD2 3.34Å; K681-D757 IonicContact NZ-OD1 2.87Å; K681-D757 PolarHBondContact NZ-OD1 3.06Å; K681-D757 IonicContact NZ-OD2 3.59Å; K681-D757 PolarHBondContact NZ-OD2 3.08Å; Y751-D757 WeakPolarHBondContact CD2-O 3.33Å; D757-A759 PolarHBondContact O-N 3.05Å; D757-A759 VanDerWaalsContact O-N 3.16Å; D757-A759 WeakPolarHBondContact OD1-CB 3.32Å; D757-A759 PolarHBondContact OD1-N 3.4Å; D757-Q760 HydrophobicContact CB-CG 4Å; D757-Q760 WeakPolarHBondContact O-CB 3.44Å; D757-Q760 PolarHBondContact O-N 2.91Å
758	P	97.5	Very high	98	Very high	60 Å²	60	24.7 Å²	24.7	39%	0.39	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-65.8	-21.8	-174.4	-21.3	35.6	0	0	0	113.4	I752 Q756 Q760 S761	I752-P758 HydrophobicContact CG1-CB 4.22Å; I752-P758 HydrophobicContact CG1-CG 3.91Å; Q756-P758 VanDerWaalsContact O-CD 3.23Å; Q756-P758 WeakPolarHBondContact O-CD 3.33Å; P758-Q760 PolarHBondContact O-N 3.12Å; P758-S761 WeakPolarHBondContact O-CB 3.5Å; P758-S761 PolarHBondContact O-N 2.98Å; P758-S761 VanDerWaalsContact O-N 3.13Å; P758-S761 PolarHBondContact O-OG 2.87Å
759	A	98	Very high	98	Very high	44 Å²	44	23.9 Å²	23.9	36%	0.364	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-71	-18.7	176.9	0	0	0	0	0	112.2	K681 D757 S761 V762	K681-A759 HydrophobicContact CD-CB 3.81Å; K681-A759 HydrophobicContact CG-CB 4.12Å; D757-A759 PolarHBondContact O-N 3.05Å; D757-A759 VanDerWaalsContact O-N 3.16Å; D757-A759 WeakPolarHBondContact OD1-CB 3.32Å; D757-A759 PolarHBondContact OD1-N 3.4Å; A759-S761 PolarHBondContact O-N 2.99Å; A759-V762 WeakPolarHBondContact O-CG2 3.23Å
760	Q	98.1	Very high	98	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-78.2	-5	173.2	-64.7	-178.6	-40.6	0	0	112.9	M645 D680 K681 Y751 D757 P758 V762 S763 S764 E791	M645-Q760 VanDerWaalsContact CE-NE2 3.26Å; M645-Q760 PolarHBondContact SD-NE2 3.37Å; D680-Q760 PolarHBondContact OD1-NE2 3.27Å; K681-Q760 HydrophobicContact CG-CG 4.12Å; Y751-Q760 HydrophobicContact CE2-CB 4.41Å; D757-Q760 HydrophobicContact CB-CG 4Å; D757-Q760 WeakPolarHBondContact O-CB 3.44Å; D757-Q760 PolarHBondContact O-N 2.91Å; P758-Q760 PolarHBondContact O-N 3.12Å; Q760-V762 PolarHBondContact O-N 3.4Å; Q760-V762 VanDerWaalsContact O-N 3.16Å; Q760-S763 PolarHBondContact O-N 3.31Å; Q760-S764 WeakPolarHBondContact O-CB 3.38Å; Q760-S764 PolarHBondContact O-N 3.26Å; Q760-S764 PolarHBondContact O-OG 3.13Å; Q760-E791 HydrophobicContact CB-CB 4.17Å; Q760-E791 HydrophobicContact CG-CB 4.49Å; Q760-E791 WeakPolarHBondContact CG-OE1 3.41Å; Q760-E791 PolarHBondContact NE2-OE1 3.44Å
761	S	97.5	Very high	98	Very high	28 Å²	28	25.5 Å²	25.5	20%	0.196	15%	0.152	C	C	.	.	H	α-helix	trans	-56.6	-27.5	170.1	61.2	0	0	0	0	112.3	P758 A759 S763 S765	P758-S761 WeakPolarHBondContact O-CB 3.5Å; P758-S761 PolarHBondContact O-N 2.98Å; P758-S761 VanDerWaalsContact O-N 3.13Å; P758-S761 PolarHBondContact O-OG 2.87Å; A759-S761 PolarHBondContact O-N 2.99Å; S761-S763 PolarHBondContact O-N 3.05Å; S761-S765 WeakPolarHBondContact O-CB 3.27Å; S761-S765 PolarHBondContact O-N 3.3Å; S761-S765 PolarHBondContact O-OG 3.08Å
762	V	97.1	Very high	98	Very high	59 Å²	59	30.1 Å²	30.1	36%	0.358	17%	0.174	S	C	.	.	H	α-helix	trans	-52.1	-51.8	176.1	175.8	0	0	0	0	111.9	P683 A759 Q760 S765	P683-V762 HydrophobicContact CB-CG1 4.5Å; A759-V762 WeakPolarHBondContact O-CG2 3.23Å; Q760-V762 PolarHBondContact O-N 3.4Å; Q760-V762 VanDerWaalsContact O-N 3.16Å; V762-S765 PolarHBondContact O-OG 3.38Å
763	S	95.6	Very high	98	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-94.8	-29.4	179.7	21.1	0	0	0	0	112.9	Q760 S761 S765 N766 S789 E791	Q760-S763 PolarHBondContact O-N 3.31Å; S761-S763 PolarHBondContact O-N 3.05Å; S763-S765 PolarHBondContact O-N 3.4Å; S763-N766 VanDerWaalsContact O-CB 3.27Å; S763-N766 WeakPolarHBondContact O-CB 3.45Å; S763-N766 PolarHBondContact O-N 3.02Å; S763-N766 PolarHBondContact O-ND2 3.45Å; S763-S789 CarbonylContact C-O 3.55Å; S763-S789 PolarHBondContact O-OG 3.5Å; S763-E791 VanDerWaalsContact CB-OE2 3.3Å; S763-E791 WeakPolarHBondContact CB-OE2 3.39Å; S763-E791 PolarHBondContact OG-OE2 3.13Å
764	S	98.5	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.1	-17.4	178.7	-56.8	0	0	0	0	112.9	Y751 Q760 M787 S789 E791	Y751-S764 VanDerWaalsContact OH-CB 3.28Å; Y751-S764 WeakPolarHBondContact OH-CB 3.47Å; Y751-S764 PolarHBondContact OH-OG 3.04Å; Y751-S764 VanDerWaalsContact OH-OG 3.09Å; Q760-S764 WeakPolarHBondContact O-CB 3.38Å; Q760-S764 PolarHBondContact O-N 3.26Å; Q760-S764 PolarHBondContact O-OG 3.13Å; S764-M787 WeakPolarHBondContact O-CE 3.19Å; S764-S789 VanDerWaalsContact CA-O 3.31Å; S764-S789 WeakPolarHBondContact CA-O 3.29Å; S764-E791 PolarHBondContact OG-N 3.13Å
765	S	98.5	Very high	97.6	Very high	23 Å²	23	33.8 Å²	33.8	16%	0.161	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.7	173.7	65.1	0	0	0	0	114.6	S761 V762 S763 C767	S761-S765 WeakPolarHBondContact O-CB 3.27Å; S761-S765 PolarHBondContact O-N 3.3Å; S761-S765 PolarHBondContact O-OG 3.08Å; V762-S765 PolarHBondContact O-OG 3.38Å; S763-S765 PolarHBondContact O-N 3.4Å; S765-C767 PolarHBondContact O-N 3.17Å
766	N	98.8	Very high	97.3	Very high	13 Å²	13	40 Å²	40	7%	0.07	25%	0.248	C	C	.	.			trans	-55.4	116.7	169.7	-81.4	-17.1	0	0	0	109.2	W688 G737 S763 M787 P788 S789	W688-N766 HydrophobicContact CE3-CB 3.87Å; W688-N766 HydrophobicContact CZ3-CB 4.12Å; G737-N766 CarbonylContact O-C 3.3Å; G737-N766 WeakPolarHBondContact O-CA 3.22Å; S763-N766 VanDerWaalsContact O-CB 3.27Å; S763-N766 WeakPolarHBondContact O-CB 3.45Å; S763-N766 PolarHBondContact O-N 3.02Å; S763-N766 PolarHBondContact O-ND2 3.45Å; N766-M787 WeakPolarHBondContact O-CA 3.43Å; N766-P788 HydrophobicContact CB-CG 4.46Å; N766-S789 WeakPolarHBondContact CB-OG 3.25Å; N766-S789 PolarHBondContact ND2-OG 3.25Å
767	C	98.9	Very high	97	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	136.2	-175.9	-176	0	0	0	0	110.1	G737 F739 N740 A743 S765 T786 M787	G737-C767 PolarHBondContact O-N 3.27Å; G737-C767 VanDerWaalsContact O-O 3.11Å; F739-C767 CarbonylContact C-O 3.55Å; F739-C767 VanDerWaalsContact C-O 3.27Å; F739-C767 PolarHBondContact N-O 3.08Å; F739-C767 VanDerWaalsContact N-O 3.1Å; N740-C767 HydrophobicContact CB-CB 3.92Å; N740-C767 WeakPolarHBondContact CB-O 3.24Å; N740-C767 PolarHBondContact ND2-O 2.72Å; A743-C767 HydrophobicContact CB-CB 3.75Å; S765-C767 PolarHBondContact O-N 3.17Å; C767-T786 VanDerWaalsContact CA-O 3.29Å; C767-T786 WeakPolarHBondContact CA-O 3.23Å; C767-M787 HydrophobicContact CB-CG 3.83Å
768	I	98.9	Very high	96.8	Very high	41 Å²	41	43.1 Å²	43.1	21%	0.21	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.1	161.1	-175.8	164.6	0	0	0	109.1	W688 L727 F739 L770 C785 T786	W688-I768 HydrophobicContact CH2-CB 3.76Å; W688-I768 HydrophobicContact CH2-CG2 3.83Å; W688-I768 HydrophobicContact CZ2-CB 4.31Å; W688-I768 HydrophobicContact CZ2-CG2 4.4Å; L727-I768 HydrophobicContact CD2-CD1 4.32Å; L727-I768 HydrophobicContact CD2-CG1 4.38Å; F739-I768 HydrophobicContact CB-CB 4.03Å; F739-I768 HydrophobicContact CB-CD1 4.33Å; F739-I768 HydrophobicContact CB-CG1 3.85Å; F739-I768 CarbonylContact O-C 3.55Å; F739-I768 WeakPolarHBondContact O-CA 3.34Å; I768-L770 HydrophobicContact CD1-CD2 4.07Å; I768-L770 HydrophobicContact CG1-CD2 4.01Å; I768-L770 HydrophobicContact CG1-CG 4.2Å; I768-C785 WeakPolarHBondContact O-CA 3.48Å; I768-T786 PolarHBondContact N-O 3.3Å; I768-T786 PolarHBondContact O-N 2.76Å
769	T	98.9	Very high	96.7	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.08	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.9	175.1	-55.4	0	0	0	0	109.5	N722 F739 M771 I783 S784	N722-T769 PolarHBondContact ND2-O 3.18Å; N722-T769 PolarHBondContact OD1-O 3.21Å; F739-T769 PolarHBondContact O-N 2.87Å; T769-M771 HydrophobicContact CG2-CE 3.94Å; T769-I783 HydrophobicContact CG2-CD1 4.47Å; T769-I783 HydrophobicContact CG2-CG1 4.41Å; T769-S784 WeakPolarHBondContact CA-O 3.37Å
770	L	98.9	Very high	96.7	Very high	56 Å²	56	46.5 Å²	46.5	29%	0.293	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.9	178	-59.5	176.7	0	0	0	109.7	L727 I768 I783 S784	L727-L770 HydrophobicContact CD1-CD2 4.31Å; L727-L770 HydrophobicContact CD2-CD2 4.07Å; I768-L770 HydrophobicContact CD1-CD2 4.07Å; I768-L770 HydrophobicContact CG1-CD2 4.01Å; I768-L770 HydrophobicContact CG1-CG 4.2Å; L770-I783 WeakPolarHBondContact O-CA 3.1Å; L770-S784 PolarHBondContact N-O 3.49Å; L770-S784 PolarHBondContact O-N 2.95Å
771	M	98.8	Very high	96.7	Very high	31 Å²	31	46.6 Å²	46.6	15%	0.153	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.8	-179	-68	-169.2	-162.1	0	0	109.6	L718 I719 N722 T769 L781 Y782 I783	L718-M771 HydrophobicContact CB-SD 4.1Å; I719-M771 HydrophobicContact CG1-CB 4.1Å; N722-M771 HydrophobicContact CB-CB 3.99Å; N722-M771 HydrophobicContact CB-CE 4.4Å; N722-M771 HydrophobicContact CB-CG 3.99Å; N722-M771 HydrophobicContact CB-SD 3.89Å; T769-M771 HydrophobicContact CG2-CE 3.94Å; M771-L781 HydrophobicContact CB-CD1 3.96Å; M771-L781 HydrophobicContact CG-CD1 4.25Å; M771-L781 HydrophobicContact SD-CD1 4.18Å; M771-L781 HydrophobicContact SD-CD2 4.46Å; M771-Y782 VanDerWaalsContact CA-O 3.28Å; M771-Y782 WeakPolarHBondContact CA-O 3.03Å; M771-I783 HydrophobicContact CE-CD1 3.72Å; M771-I783 HydrophobicContact CE-CG1 4.29Å; M771-I783 HydrophobicContact CG-CB 4.39Å; M771-I783 HydrophobicContact CG-CD1 4.5Å; M771-I783 HydrophobicContact CG-CG1 4.11Å
772	E	98.2	Very high	96.8	Very high	105 Å²	105	48 Å²	48	49%	0.491	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.5	-175.5	-67	179.6	-143.9	0	0	110.9	Y782	E772-Y782 HydrophobicContact CB-CD1 4.17Å; E772-Y782 PolarHBondContact N-O 2.78Å; E772-Y782 PolarHBondContact O-N 2.88Å
773	P	97.8	Very high	96.8	Very high	82 Å²	82	47.3 Å²	47.3	53%	0.532	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141	172.8	30.6	-32.1	0	0	0	110.2	I719 G778	I719-P773 HydrophobicContact CD1-CB 4.21Å; I719-P773 HydrophobicContact CD1-CG 4.48Å; P773-G778 WeakPolarHBondContact CB-O 3.13Å
774	S	96.4	Very high	97	Very high	35 Å²	35	47.7 Å²	47.7	25%	0.245	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	174	-177.6	-171.5	0	0	0	0	112.2	G778 K779 D780	S774-G778 CarbonylContact O-C 3.4Å; S774-G778 VanDerWaalsContact O-CA 3.27Å; S774-G778 WeakPolarHBondContact O-CA 3.26Å; S774-G778 PolarHBondContact O-N 3.06Å; S774-K779 PolarHBondContact O-N 2.67Å; S774-D780 PolarHBondContact N-O 2.87Å; S774-D780 WeakPolarHBondContact O-CB 3.3Å; S774-D780 PolarHBondContact O-N 2.98Å; S774-D780 VanDerWaalsContact O-N 3.09Å
775	G	92.1	Very high	97	Very high	35 Å²	35	49.7 Å²	49.7	36%	0.361	29%	0.292	S	S	.	.	S	Bend	trans	77.6	170.8	-178.1	0	0	0	0	0	113.7	T777 G778	G775-T777 PolarHBondContact O-N 3.37Å; G775-T777 VanDerWaalsContact O-N 3.15Å; G775-G778 PolarHBondContact O-N 2.87Å; G775-G778 VanDerWaalsContact O-N 3.08Å
776	P	89.4	Confident	97	Very high	139 Å²	139	50.6 Å²	50.6	90%	0.903	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.3	-175.3	24.9	-34	0	0	0	113.5
777	T	91.4	Very high	97	Very high	98 Å²	98	51.6 Å²	51.6	60%	0.601	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-2.8	178.1	62.9	0	0	0	0	113.5	G775 K779	G775-T777 PolarHBondContact O-N 3.37Å; G775-T777 VanDerWaalsContact O-N 3.15Å; T777-K779 PolarHBondContact O-N 3.2Å
778	G	93.3	Very high	97	Very high	38 Å²	38	52.2 Å²	52.2	39%	0.392	31%	0.305	S	S	.	.	S	Bend	trans	63.6	21	-175	0	0	0	0	0	114.5	P773 S774 G775	P773-G778 WeakPolarHBondContact CB-O 3.13Å; S774-G778 CarbonylContact O-C 3.4Å; S774-G778 VanDerWaalsContact O-CA 3.27Å; S774-G778 WeakPolarHBondContact O-CA 3.26Å; S774-G778 PolarHBondContact O-N 3.06Å; G775-G778 PolarHBondContact O-N 2.87Å; G775-G778 VanDerWaalsContact O-N 3.08Å
779	K	95.3	Very high	97	Very high	139 Å²	139	50.3 Å²	50.3	60%	0.604	30%	0.295	S	S	*	.			trans	-106.8	-14.8	-176.3	-67.2	-173.8	178.7	-177.9	0	113.2	A704 T715 S774 T777	A704-K779 HydrophobicContact CB-CB 3.83Å; A704-K779 WeakPolarHBondContact CB-O 3.49Å; T715-K779 WeakPolarHBondContact CB-O 3.38Å; T715-K779 PolarHBondContact OG1-O 3.39Å; S774-K779 PolarHBondContact O-N 2.67Å; T777-K779 PolarHBondContact O-N 3.2Å
780	D	98	Very high	97	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	152.3	174.9	-57.8	-32	0	0	0	108.8	T701 I702 S703 A704 T715 S774	T701-D780 HydrophobicContact CG2-CB 3.92Å; I702-D780 WeakPolarHBondContact O-CA 3.43Å; S703-D780 WeakPolarHBondContact CA-OD1 3.15Å; A704-D780 PolarHBondContact N-OD1 3.36Å; T715-D780 WeakPolarHBondContact CG2-O 3.23Å; S774-D780 PolarHBondContact N-O 2.87Å; S774-D780 WeakPolarHBondContact O-CB 3.3Å; S774-D780 PolarHBondContact O-N 2.98Å; S774-D780 VanDerWaalsContact O-N 3.09Å
781	L	98.6	Very high	97	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.5	179.8	175.6	70.8	0	0	0	109.1	T701 I702 V707 T715 L718 I719 M771	T701-L781 CarbonylContact C-O 3.58Å; T701-L781 WeakPolarHBondContact CA-O 3.49Å; I702-L781 HydrophobicContact CB-CB 4.33Å; I702-L781 PolarHBondContact N-O 3.48Å; I702-L781 PolarHBondContact O-N 3.13Å; V707-L781 HydrophobicContact CG2-CB 4.09Å; T715-L781 HydrophobicContact CG2-CB 3.92Å; T715-L781 HydrophobicContact CG2-CD1 4.05Å; L718-L781 HydrophobicContact CB-CD1 4.45Å; L718-L781 HydrophobicContact CD1-CD2 3.61Å; I719-L781 HydrophobicContact CD1-CD1 4.49Å; I719-L781 HydrophobicContact CG1-CD1 4.02Å; M771-L781 HydrophobicContact CB-CD1 3.96Å; M771-L781 HydrophobicContact CG-CD1 4.25Å; M771-L781 HydrophobicContact SD-CD1 4.18Å; M771-L781 HydrophobicContact SD-CD2 4.46Å
782	Y	98.8	Very high	96.9	Very high	58 Å²	58	49.3 Å²	49.3	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.1	160	172.8	-98.2	0	0	0	108.9	E699 M771 E772	E699-Y782 HydrophobicContact CB-CE2 3.95Å; E699-Y782 WeakPolarHBondContact OE2-CE2 3.32Å; E699-Y782 PolarHBondContact OE2-OH 3.28Å; E699-Y782 VanDerWaalsContact OE2-OH 3.05Å; M771-Y782 VanDerWaalsContact CA-O 3.28Å; M771-Y782 WeakPolarHBondContact CA-O 3.03Å; E772-Y782 HydrophobicContact CB-CD1 4.17Å; E772-Y782 PolarHBondContact N-O 2.78Å; E772-Y782 PolarHBondContact O-N 2.88Å
783	I	98.8	Very high	96.8	Very high	44 Å²	44	44.5 Å²	44.5	23%	0.226	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.7	176.7	-178	174.9	0	0	0	109.5	E699 A700 I702 T769 L770 M771	E699-I783 WeakPolarHBondContact CA-O 3.45Å; A700-I783 HydrophobicContact CB-CG2 4.17Å; A700-I783 PolarHBondContact N-O 2.94Å; A700-I783 WeakPolarHBondContact O-CG2 3.38Å; A700-I783 PolarHBondContact O-N 3.44Å; I702-I783 HydrophobicContact CG1-CG2 4.33Å; T769-I783 HydrophobicContact CG2-CD1 4.47Å; T769-I783 HydrophobicContact CG2-CG1 4.41Å; L770-I783 WeakPolarHBondContact O-CA 3.1Å; M771-I783 HydrophobicContact CE-CD1 3.72Å; M771-I783 HydrophobicContact CE-CG1 4.29Å; M771-I783 HydrophobicContact CG-CB 4.39Å; M771-I783 HydrophobicContact CG-CD1 4.5Å; M771-I783 HydrophobicContact CG-CG1 4.11Å
784	S	98.9	Very high	96.7	Very high	8 Å²	8	44.3 Å²	44.3	6%	0.056	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.2	171.4	70	0	0	0	0	112.6	C698 T769 L770	C698-S784 CarbonylContact O-C 3.58Å; C698-S784 VanDerWaalsContact O-CA 3.22Å; C698-S784 WeakPolarHBondContact O-CA 3.49Å; T769-S784 WeakPolarHBondContact CA-O 3.37Å; L770-S784 PolarHBondContact N-O 3.49Å; L770-S784 PolarHBondContact O-N 2.95Å
785	C	98.8	Very high	96.6	Very high	43 Å²	43	46.3 Å²	46.3	29%	0.291	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.7	171.6	-67.3	0	0	0	0	109	V697 C698 I768	V697-C785 WeakPolarHBondContact CA-O 3.39Å; C698-C785 PolarHBondContact N-O 3.35Å; C698-C785 PolarHBondContact O-N 3.28Å; I768-C785 WeakPolarHBondContact O-CA 3.48Å
786	T	98.9	Very high	96.5	Very high	41 Å²	41	46.4 Å²	46.4	25%	0.252	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.7	174.4	-55	0	0	0	0	109.8	V697 C767 I768	V697-T786 WeakPolarHBondContact CG2-OG1 3.48Å; C767-T786 VanDerWaalsContact CA-O 3.29Å; C767-T786 WeakPolarHBondContact CA-O 3.23Å; I768-T786 PolarHBondContact N-O 3.3Å; I768-T786 PolarHBondContact O-N 2.76Å
787	M	98.8	Very high	96.6	Very high	34 Å²	34	42.2 Å²	42.2	17%	0.167	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	96.8	-175.6	-63.1	-177.8	72.7	0	0	109.5	S695 A696 V747 S764 N766 C767 S789 I790	S695-M787 WeakPolarHBondContact CA-O 3.36Å; A696-M787 PolarHBondContact N-O 2.66Å; A696-M787 PolarHBondContact O-N 2.94Å; V747-M787 HydrophobicContact CG2-CE 3.74Å; S764-M787 WeakPolarHBondContact O-CE 3.19Å; N766-M787 WeakPolarHBondContact O-CA 3.43Å; C767-M787 HydrophobicContact CB-CG 3.83Å; M787-S789 VanDerWaalsContact C-N 3.33Å; M787-S789 PolarHBondContact O-N 3.44Å; M787-I790 HydrophobicContact CB-CD1 3.7Å; M787-I790 HydrophobicContact CB-CG1 3.79Å; M787-I790 HydrophobicContact CE-CD1 4.16Å; M787-I790 HydrophobicContact CE-CG1 4.07Å; M787-I790 HydrophobicContact CG-CD1 4.47Å; M787-I790 HydrophobicContact SD-CD1 4.05Å
788	P	98.6	Very high	96.7	Very high	17 Å²	17	38.5 Å²	38.5	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-12	-169.2	30	-35	0	0	0	114.1	W688 G691 R692 S695 N766	W688-P788 HydrophobicContact CD2-CG 4.25Å; W688-P788 HydrophobicContact CE3-CG 3.41Å; W688-P788 VanDerWaalsContact CE3-CG 3.41Å; W688-P788 HydrophobicContact CZ3-CG 3.6Å; G691-P788 WeakPolarHBondContact CA-O 3.16Å; R692-P788 PolarHBondContact N-O 3.1Å; S695-P788 WeakPolarHBondContact CB-O 3.28Å; S695-P788 PolarHBondContact OG-O 3.43Å; N766-P788 HydrophobicContact CB-CG 4.46Å
789	S	98.5	Very high	96.8	Very high	1 Å²	1	37 Å²	37	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	46.4	-168.6	56.2	0	0	0	0	115.8	R692 S763 S764 N766 M787 E791	R692-S789 CarbonylContact O-C 3.53Å; R692-S789 WeakPolarHBondContact O-CA 3.48Å; S763-S789 CarbonylContact C-O 3.55Å; S763-S789 PolarHBondContact O-OG 3.5Å; S764-S789 VanDerWaalsContact CA-O 3.31Å; S764-S789 WeakPolarHBondContact CA-O 3.29Å; N766-S789 WeakPolarHBondContact CB-OG 3.25Å; N766-S789 PolarHBondContact ND2-OG 3.25Å; M787-S789 VanDerWaalsContact C-N 3.33Å; M787-S789 PolarHBondContact O-N 3.44Å; S789-E791 PolarHBondContact O-N 3.45Å
790	I	98.6	Very high	96.8	Very high	32 Å²	32	33.9 Å²	33.9	16%	0.164	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.7	177.9	-55.8	174.3	0	0	0	110.3	K694 A696 Y751 M787 V792	K694-I790 HydrophobicContact CB-CB 4.32Å; K694-I790 PolarHBondContact N-O 3.47Å; K694-I790 WeakPolarHBondContact O-CB 3.44Å; K694-I790 PolarHBondContact O-N 3.2Å; A696-I790 HydrophobicContact CB-CD1 4.1Å; Y751-I790 WeakPolarHBondContact OH-CG2 3.37Å; M787-I790 HydrophobicContact CB-CD1 3.7Å; M787-I790 HydrophobicContact CB-CG1 3.79Å; M787-I790 HydrophobicContact CE-CD1 4.16Å; M787-I790 HydrophobicContact CE-CG1 4.07Å; M787-I790 HydrophobicContact CG-CD1 4.47Å; M787-I790 HydrophobicContact SD-CD1 4.05Å; I790-V792 HydrophobicContact CG2-CB 4.1Å; I790-V792 HydrophobicContact CG2-CG1 3.94Å
791	E	98.3	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.21	C	C	.	.			trans	-98.1	98.6	178.8	-57.2	166.8	66	0	0	109.9	M578 M645 R692 Y751 Q760 S763 S764 S789	M578-E791 HydrophobicContact CE-CB 4.01Å; M578-E791 HydrophobicContact CE-CG 3.96Å; M645-E791 HydrophobicContact CG-CB 4.38Å; R692-E791 IonicContact CZ-OE1 2.64Å; R692-E791 IonicContact NH1-OE1 3.59Å; R692-E791 PolarHBondContact NH1-OE1 2.98Å; R692-E791 IonicContact NH1-OE2 3.83Å; R692-E791 PolarHBondContact NH1-OE2 2.8Å; R692-E791 IonicContact NH2-OE1 3.02Å; R692-E791 PolarHBondContact NH2-OE1 3.38Å; Y751-E791 WeakPolarHBondContact CE2-O 3.39Å; Y751-E791 VanDerWaalsContact OH-C 3.32Å; Y751-E791 PolarHBondContact OH-N 3.41Å; Y751-E791 PolarHBondContact OH-O 2.94Å; Q760-E791 HydrophobicContact CB-CB 4.17Å; Q760-E791 HydrophobicContact CG-CB 4.49Å; Q760-E791 WeakPolarHBondContact CG-OE1 3.41Å; Q760-E791 PolarHBondContact NE2-OE1 3.44Å; S763-E791 VanDerWaalsContact CB-OE2 3.3Å; S763-E791 WeakPolarHBondContact CB-OE2 3.39Å; S763-E791 PolarHBondContact OG-OE2 3.13Å; S764-E791 PolarHBondContact OG-N 3.13Å; S789-E791 PolarHBondContact O-N 3.45Å
792	V	97.4	Very high	96.5	Very high	47 Å²	47	35 Å²	35	29%	0.285	22%	0.224	S	C	.	.			trans	-141.9	149.1	-171.1	67.6	0	0	0	0	111.1	K694 Q756 I790	K694-V792 HydrophobicContact CG-CG1 4.07Å; Q756-V792 HydrophobicContact CG-CG2 4.33Å; I790-V792 HydrophobicContact CG2-CB 4.1Å; I790-V792 HydrophobicContact CG2-CG1 3.94Å
793	G	95.9	Very high	96.4	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	24%	0.235	C	C	.	.			trans	-152.6	158.5	171.7	0	0	0	0	0	112.4	D643 Q756	D643-G793 CarbonylContact O-C 3.52Å; D643-G793 WeakPolarHBondContact O-CA 3.26Å; Q756-G793 VanDerWaalsContact CD-O 3.29Å; Q756-G793 PolarHBondContact NE2-O 3.4Å; Q756-G793 PolarHBondContact OE1-O 2.76Å
794	T	95.9	Very high	96.3	Very high	77 Å²	77	35.7 Å²	35.7	47%	0.472	24%	0.235	S	C	.	.	S	Bend	trans	-107.5	-1.7	179.3	57.3	0	0	0	0	112.7	D643 L808	D643-T794 PolarHBondContact O-N 3.29Å; T794-L808 HydrophobicContact CG2-CD2 4.38Å
795	V	93.4	Very high	96.1	Very high	78 Å²	78	38.4 Å²	38.4	47%	0.473	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-132.2	142.8	175.3	-54.3	0	0	0	0	111.6	D643 A644 T799	D643-V795 HydrophobicContact CB-CG1 4.42Å; D643-V795 HydrophobicContact CB-CG2 4.22Å; A644-V795 HydrophobicContact CB-CG2 3.81Å; V795-T799 WeakPolarHBondContact CA-OG1 3.08Å
796	G	90.9	Very high	96	Very high	36 Å²	36	38.8 Å²	38.8	37%	0.371	25%	0.253	S	S	.	.	S	Bend	trans	84.7	165.6	179.6	0	0	0	0	0	114.7	T799	G796-T799 PolarHBondContact N-OG1 3.22Å; G796-T799 WeakPolarHBondContact O-CB 3.3Å; G796-T799 PolarHBondContact O-N 3.25Å; G796-T799 PolarHBondContact O-OG1 2.92Å
797	G	92	Very high	95.9	Very high	51 Å²	51	37.7 Å²	37.7	53%	0.526	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	60.9	-138.5	-175.7	0	0	0	0	0	112.3	T799 N800	G797-T799 PolarHBondContact O-N 2.85Å; G797-N800 PolarHBondContact O-N 2.9Å
798	G	94.2	Very high	95.7	Very high	21 Å²	21	37.6 Å²	37.6	22%	0.216	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-67.1	-15.4	-179.3	0	0	0	0	0	114.6	G755 N800 L801	G755-G798 CarbonylContact O-C 3.53Å; G755-G798 VanDerWaalsContact O-CA 3.3Å; G755-G798 WeakPolarHBondContact O-CA 3.27Å; G755-G798 PolarHBondContact O-N 2.73Å; G798-N800 PolarHBondContact O-N 3.03Å; G798-N800 VanDerWaalsContact O-N 3.14Å; G798-L801 WeakPolarHBondContact O-CB 3.35Å; G798-L801 WeakPolarHBondContact O-CG 3.48Å; G798-L801 PolarHBondContact O-N 3.35Å; G798-L801 VanDerWaalsContact O-N 3.1Å
799	T	95.4	Very high	95.4	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.031	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-66.7	-10.6	176.2	70.4	0	0	0	0	113.5	G755 V795 G796 G797 L801 Q805 L808	G755-T799 PolarHBondContact O-N 2.87Å; V795-T799 WeakPolarHBondContact CA-OG1 3.08Å; G796-T799 PolarHBondContact N-OG1 3.22Å; G796-T799 WeakPolarHBondContact O-CB 3.3Å; G796-T799 PolarHBondContact O-N 3.25Å; G796-T799 PolarHBondContact O-OG1 2.92Å; G797-T799 PolarHBondContact O-N 2.85Å; T799-L801 VanDerWaalsContact C-N 3.33Å; T799-Q805 WeakPolarHBondContact O-CG 3.45Å; T799-Q805 PolarHBondContact O-NE2 3.23Å; T799-Q805 VanDerWaalsContact O-NE2 3.12Å; T799-L808 HydrophobicContact CG2-CD1 4.01Å
800	N	94.6	Very high	94.6	Very high	74 Å²	74	47 Å²	47	40%	0.396	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-80.6	-14.4	173.9	-72	-24.7	0	0	0	113.3	G797 G798 Q805	G797-N800 PolarHBondContact O-N 2.9Å; G798-N800 PolarHBondContact O-N 3.03Å; G798-N800 VanDerWaalsContact O-N 3.14Å; N800-Q805 PolarHBondContact O-NE2 2.99Å
801	L	95.3	Very high	93.5	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	30%	0.299	C	S	.	.	S	Bend	trans	-78.6	134.7	-177.1	-59.5	-179.9	0	0	0	110.7	K511 V512 G798 T799 Q804 Q805	K511-L801 HydrophobicContact CB-CD2 4.08Å; V512-L801 HydrophobicContact CG2-CD2 3.71Å; G798-L801 WeakPolarHBondContact O-CB 3.35Å; G798-L801 WeakPolarHBondContact O-CG 3.48Å; G798-L801 PolarHBondContact O-N 3.35Å; G798-L801 VanDerWaalsContact O-N 3.1Å; T799-L801 VanDerWaalsContact C-N 3.33Å; L801-Q804 PolarHBondContact O-N 3.25Å; L801-Q805 WeakPolarHBondContact O-CG 3.48Å; L801-Q805 PolarHBondContact O-N 3.21Å
802	P	95.1	Very high	92.4	Very high	49 Å²	49	51.9 Å²	51.9	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-55.8	-42.7	-174.2	-22.8	30.9	0	0	0	115.3	K511 Q804 Q805 A806	K511-P802 HydrophobicContact CD-CG 3.81Å; P802-Q804 PolarHBondContact O-N 3.45Å; P802-Q805 PolarHBondContact O-N 3.02Å; P802-A806 PolarHBondContact O-N 3.11Å
803	P	96	Very high	90.4	Very high	70 Å²	70	52.3 Å²	52.3	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-44.1	178.6	-22.6	34.3	0	0	0	112.5	Q805 A806 C807	P803-Q805 VanDerWaalsContact C-N 3.35Å; P803-Q805 PolarHBondContact O-N 3.16Å; P803-A806 WeakPolarHBondContact O-CB 3.48Å; P803-A806 PolarHBondContact O-N 3.41Å; P803-A806 VanDerWaalsContact O-N 3.15Å; P803-C807 PolarHBondContact O-N 3.22Å
804	Q	96.8	Very high	88	Confident	45 Å²	45	57.5 Å²	57.5	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-68.2	-34.9	179.2	-71.6	73.3	10.8	0	0	111.7	G755 L801 P802 A806 C807 L808	G755-Q804 VanDerWaalsContact CA-CG 3.43Å; L801-Q804 PolarHBondContact O-N 3.25Å; P802-Q804 PolarHBondContact O-N 3.45Å; Q804-A806 VanDerWaalsContact C-N 3.31Å; Q804-A806 PolarHBondContact O-N 3.49Å; Q804-C807 WeakPolarHBondContact O-CB 3.17Å; Q804-C807 PolarHBondContact O-N 3.13Å; Q804-L808 PolarHBondContact O-N 3.13Å
805	Q	95.4	Very high	85.2	Confident	65 Å²	65	62.8 Å²	62.8	30%	0.304	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-36.3	170.9	-73.2	-176.5	-7.7	0	0	112.6	T799 N800 L801 P802 P803 L808 K809	T799-Q805 WeakPolarHBondContact O-CG 3.45Å; T799-Q805 PolarHBondContact O-NE2 3.23Å; T799-Q805 VanDerWaalsContact O-NE2 3.12Å; N800-Q805 PolarHBondContact O-NE2 2.99Å; L801-Q805 WeakPolarHBondContact O-CG 3.48Å; L801-Q805 PolarHBondContact O-N 3.21Å; P802-Q805 PolarHBondContact O-N 3.02Å; P803-Q805 VanDerWaalsContact C-N 3.35Å; P803-Q805 PolarHBondContact O-N 3.16Å; Q805-L808 PolarHBondContact O-N 2.94Å; Q805-K809 VanDerWaalsContact O-CG 3.3Å; Q805-K809 WeakPolarHBondContact O-CG 3.23Å; Q805-K809 PolarHBondContact O-N 3.39Å
806	A	95.9	Very high	84.8	Confident	51 Å²	51	62.1 Å²	62.1	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-45	174.8	0	0	0	0	0	110.7	P802 P803 Q804 L808 K809 V810	P802-A806 PolarHBondContact O-N 3.11Å; P803-A806 WeakPolarHBondContact O-CB 3.48Å; P803-A806 PolarHBondContact O-N 3.41Å; P803-A806 VanDerWaalsContact O-N 3.15Å; Q804-A806 VanDerWaalsContact C-N 3.31Å; Q804-A806 PolarHBondContact O-N 3.49Å; A806-L808 PolarHBondContact O-N 2.94Å; A806-K809 WeakPolarHBondContact O-CB 3.38Å; A806-K809 PolarHBondContact O-N 3.43Å; A806-V810 WeakPolarHBondContact O-CG2 3.24Å; A806-V810 PolarHBondContact O-N 2.85Å
807	C	96.7	Very high	84.5	Confident	18 Å²	18	63.4 Å²	63.4	12%	0.122	38%	0.375	C	S	.	.	H	α-helix	trans	-60.6	-44.1	174.7	-67	0	0	0	0	112.6	P544 A753 P803 Q804 K809 V810 H811	P544-C807 HydrophobicContact CB-CB 4.09Å; P544-C807 HydrophobicContact CG-CB 3.86Å; A753-C807 HydrophobicContact CB-CB 4.47Å; A753-C807 WeakPolarHBondContact O-CB 3.38Å; A753-C807 PolarHBondContact O-SG 2.08Å; P803-C807 PolarHBondContact O-N 3.22Å; Q804-C807 WeakPolarHBondContact O-CB 3.17Å; Q804-C807 PolarHBondContact O-N 3.13Å; C807-K809 VanDerWaalsContact C-N 3.29Å; C807-K809 PolarHBondContact O-N 2.97Å; C807-V810 PolarHBondContact O-N 3.34Å; C807-H811 WeakPolarHBondContact O-CB 3.25Å; C807-H811 PolarHBondContact O-N 3.07Å
808	L	94.6	Very high	84.1	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.168	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-39.3	175.1	-74.9	170.7	0	0	0	112	C754 T794 T799 Q804 Q805 A806 H811 A812	C754-L808 HydrophobicContact CB-CD2 3.78Å; C754-L808 HydrophobicContact CB-CG 4.15Å; T794-L808 HydrophobicContact CG2-CD2 4.38Å; T799-L808 HydrophobicContact CG2-CD1 4.01Å; Q804-L808 PolarHBondContact O-N 3.13Å; Q805-L808 PolarHBondContact O-N 2.94Å; A806-L808 PolarHBondContact O-N 2.94Å; L808-H811 PolarHBondContact O-N 3Å; L808-A812 WeakPolarHBondContact O-CB 3.03Å; L808-A812 PolarHBondContact O-N 2.74Å
809	K	91.7	Very high	83.5	Confident	149 Å²	149	66.6 Å²	66.6	65%	0.648	38%	0.376	S	S	*	.	H	α-helix	trans	-67.9	-41.1	175.4	-72.7	172.7	-177.3	178.5	0	112.5	Q805 A806 C807 H811 A812 A813	Q805-K809 VanDerWaalsContact O-CG 3.3Å; Q805-K809 WeakPolarHBondContact O-CG 3.23Å; Q805-K809 PolarHBondContact O-N 3.39Å; A806-K809 WeakPolarHBondContact O-CB 3.38Å; A806-K809 PolarHBondContact O-N 3.43Å; C807-K809 VanDerWaalsContact C-N 3.29Å; C807-K809 PolarHBondContact O-N 2.97Å; K809-H811 VanDerWaalsContact C-N 3.28Å; K809-H811 PolarHBondContact O-N 3.5Å; K809-A812 CarbonylContact O-C 3.58Å; K809-A812 PolarHBondContact O-N 2.91Å; K809-A813 WeakPolarHBondContact O-CB 3.41Å; K809-A813 PolarHBondContact O-N 3.25Å
810	V	83.4	Confident	82.7	Confident	68 Å²	68	70.5 Å²	70.5	41%	0.412	40%	0.397	S	S	.	.	H	α-helix	trans	-59.9	-43.3	173.7	170.1	0	0	0	0	110.3	Q542 A806 C807 A812 A813	Q542-V810 HydrophobicContact CB-CG1 4.12Å; A806-V810 WeakPolarHBondContact O-CG2 3.24Å; A806-V810 PolarHBondContact O-N 2.85Å; C807-V810 PolarHBondContact O-N 3.34Å; V810-A812 VanDerWaalsContact C-N 3.33Å; V810-A812 PolarHBondContact O-N 3.01Å; V810-A813 PolarHBondContact O-N 2.79Å
811	H	75.2	Confident	81.9	Confident	70 Å²	70	70.3 Å²	70.3	32%	0.324	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-35	177	-168.1	62.7	0	0	0	112.5	F541 C807 L808 K809	F541-H811 WeakPolarHBondContact CD1-O 3.49Å; C807-H811 WeakPolarHBondContact O-CB 3.25Å; C807-H811 PolarHBondContact O-N 3.07Å; L808-H811 PolarHBondContact O-N 3Å; K809-H811 VanDerWaalsContact C-N 3.28Å; K809-H811 PolarHBondContact O-N 3.5Å
812	A	74.1	Confident	81	Confident	63 Å²	63	74.1 Å²	74.1	52%	0.521	42%	0.42	S	S	.	.	H	α-helix	trans	-85	-11.7	178.1	0	0	0	0	0	114.2	L808 K809 V810 H814	L808-A812 WeakPolarHBondContact O-CB 3.03Å; L808-A812 PolarHBondContact O-N 2.74Å; K809-A812 CarbonylContact O-C 3.58Å; K809-A812 PolarHBondContact O-N 2.91Å; V810-A812 VanDerWaalsContact C-N 3.33Å; V810-A812 PolarHBondContact O-N 3.01Å; A812-H814 PolarHBondContact O-N 3.47Å; A812-H814 VanDerWaalsContact O-N 3.12Å
813	A	55.5	Low	79.9	Confident	56 Å²	56	76.1 Å²	76.1	46%	0.463	43%	0.428	S	S	.	.			trans	-69.1	109.9	-179.2	0	0	0	0	0	109.6	K809 V810	K809-A813 WeakPolarHBondContact O-CB 3.41Å; K809-A813 PolarHBondContact O-N 3.25Å; V810-A813 PolarHBondContact O-N 2.79Å
814	H	47.1	Very low	78.6	Confident	114 Å²	114	76.6 Å²	76.6	53%	0.528	43%	0.425	S	S	.	.			trans	-80.9	123.3	170.9	-62	-36.4	0	0	0	108.7	K539 F541 A812	K539-H814 PolarHBondContact NZ-NE2 3.12Å; F541-H814 AromaticContact CE1-CE1 4Å; A812-H814 PolarHBondContact O-N 3.47Å; A812-H814 VanDerWaalsContact O-N 3.12Å
815	L	36.4	Very low	76.9	Confident	188 Å²	188	79.5 Å²	79.5	98%	0.984	45%	0.445	S	S	*	.			trans	-88.5	0	166.2	-78.6	168.6	0	0	0	110.5

Retrieved 815 of 815 residues in 170.2 ms (Link to these results)

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