A0A077ZPJ4_TRITR Loading...

ATP binding cassette (Abc) transporter

AlphaFold DB , UniProt , Accession A0A077ZPJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 648 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M65.5Low90.1Very high181 Ų18155.6 Ų55.689%0.89228%0.276SS*.  0130059.4-166.1-74.600107.5Y32M1-Y32 HydrophobicContact CE-CD1 3.3Å; M1-Y32 HydrophobicContact CE-CD2 4.49Å; M1-Y32 HydrophobicContact CE-CE1 3.96Å; M1-Y32 HydrophobicContact CE-CG 3.64Å; M1-Y32 HydrophobicContact CG-CD1 3.94Å; M1-Y32 HydrophobicContact CG-CE1 3.58Å; M1-Y32 HydrophobicContact SD-CD1 4.11Å; M1-Y32 HydrophobicContact SD-CE1 4.17Å
2T80Confident90.4Very high109 Ų10954.7 Ų54.767%0.66927%0.267SS*.  trans-73.6131.7174.2-510000108
3P89.5Confident90.5Very high13 Ų1352.2 Ų52.28%0.08426%0.258CS..  trans-60.7149.8175.126.3-33.8000111.2E6 D30 Y32P3-E6 HydrophobicContact CG-CB 3.87Å; P3-E6 HydrophobicContact CG-CG 3.94Å; P3-D30 HydrophobicContact CB-CB 3.99Å; P3-D30 HydrophobicContact CG-CB 4.21Å; P3-Y32 HydrophobicContact CB-CD1 4.02Å; P3-Y32 HydrophobicContact CB-CE1 3.77Å
4L91Very high90.5Very high25 Ų2553.1 Ų53.113%0.13126%0.258CS..SBendtrans-68.3-43.3175176.262000109.6I31 A33 A68 V165 T196L4-I31 PolarHBondContact N-O 3Å; L4-A33 HydrophobicContact CB-CB 4.43Å; L4-A33 HydrophobicContact CD2-CB 4.19Å; L4-A68 HydrophobicContact CD1-CB 4.23Å; L4-A68 PolarHBondContact O-N 2.84Å; L4-V165 HydrophobicContact CD2-CG2 3.56Å; L4-V165 HydrophobicContact CG-CG2 4.34Å; L4-T196 WeakPolarHBondContact CD2-OG1 3.11Å
5L93.9Very high90.3Very high0 Ų056.9 Ų56.90%029%0.289CS..EExtended strand (participates in β ladder)trans-120.4120.9174.3-52.7-178.4000108.9L7 D30 I31 L54 Y65 V67 F88 V165 I198L5-L7 HydrophobicContact CB-CD1 4.39Å; L5-D30 WeakPolarHBondContact O-CA 3.25Å; L5-I31 HydrophobicContact CB-CB 4.17Å; L5-I31 HydrophobicContact CD1-CD1 4.39Å; L5-I31 PolarHBondContact N-O 3.08Å; L5-I31 PolarHBondContact O-N 2.87Å; L5-L54 HydrophobicContact CD1-CD2 4.2Å; L5-Y65 HydrophobicContact CB-CE2 4.16Å; L5-Y65 HydrophobicContact CD2-CE2 4.33Å; L5-Y65 WeakPolarHBondContact CD2-OH 3.45Å; L5-V67 HydrophobicContact CD2-CB 4.33Å; L5-V67 HydrophobicContact CD2-CG1 3.99Å; L5-V67 HydrophobicContact CD2-CG2 4.04Å; L5-F88 HydrophobicContact CD2-CE1 4.31Å; L5-F88 HydrophobicContact CD2-CZ 4.17Å; L5-V165 HydrophobicContact CD1-CG1 4.24Å; L5-I198 HydrophobicContact CD1-CD1 3.72Å
6E95Very high90Very high21 Ų2156.8 Ų56.810%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-119.3107.8-178.8-165.2-177.7-16700109.2P3 K8 D30 Y65 R66P3-E6 HydrophobicContact CG-CB 3.87Å; P3-E6 HydrophobicContact CG-CG 3.94Å; E6-K8 HydrophobicContact CG-CD 4.37Å; E6-K8 HydrophobicContact CG-CG 4.39Å; E6-K8 WeakPolarHBondContact OE1-CE 3.42Å; E6-K8 IonicContact OE1-NZ 2.6Å; E6-K8 PolarHBondContact OE1-NZ 3.39Å; E6-D30 WeakPolarHBondContact CG-OD1 3.2Å; E6-Y65 CarbonylContact O-C 3.55Å; E6-Y65 WeakPolarHBondContact O-CA 3.22Å; E6-R66 HydrophobicContact CB-CB 4.16Å; E6-R66 PolarHBondContact N-O 2.66Å; E6-R66 PolarHBondContact O-N 3.42Å; E6-R66 VanDerWaalsContact OE2-CD 3.31Å; E6-R66 WeakPolarHBondContact OE2-CD 3.5Å; E6-R66 IonicContact OE2-NH1 3.25Å
7L95.6Very high89.8Confident0 Ų057.9 Ų57.90%033%0.327CS..EExtended strand (participates in β ladder)trans-106.5123.2175.9-70.281.6000108L5 I10 S28 L29 L50 L54 Y65L5-L7 HydrophobicContact CB-CD1 4.39Å; L7-I10 HydrophobicContact CB-CG1 3.88Å; L7-I10 HydrophobicContact CD2-CG1 4.17Å; L7-I10 HydrophobicContact CG-CG1 4.19Å; L7-S28 CarbonylContact O-C 3.55Å; L7-S28 WeakPolarHBondContact O-CA 3.34Å; L7-L29 HydrophobicContact CB-CB 4.29Å; L7-L29 WeakPolarHBondContact CB-O 3.25Å; L7-L29 PolarHBondContact N-O 3.24Å; L7-L29 PolarHBondContact O-N 2.87Å; L7-L50 HydrophobicContact CD2-CD1 3.7Å; L7-L54 HydrophobicContact CD1-CD2 3.55Å; L7-L54 HydrophobicContact CD2-CD2 3.88Å; L7-L54 HydrophobicContact CG-CD2 4.31Å; L7-Y65 HydrophobicContact CD1-CD2 3.7Å; L7-Y65 HydrophobicContact CD1-CE2 3.63Å; L7-Y65 HydrophobicContact CG-CD2 3.62Å; L7-Y65 HydrophobicContact CG-CE2 4.05Å; L7-Y65 HydrophobicContact CG-CG 4.41Å
8K95Very high89.7Confident91 Ų9164.6 Ų64.640%0.39636%0.362SS..EExtended strand (participates in β ladder)trans-126.4116.7177.4-70.2174.6162.5169.50110.2E6 I10 G63 T64E6-K8 HydrophobicContact CG-CD 4.37Å; E6-K8 HydrophobicContact CG-CG 4.39Å; E6-K8 WeakPolarHBondContact OE1-CE 3.42Å; E6-K8 IonicContact OE1-NZ 2.6Å; E6-K8 PolarHBondContact OE1-NZ 3.39Å; K8-I10 PolarHBondContact O-N 2.89Å; K8-G63 WeakPolarHBondContact O-CA 3.36Å; K8-T64 WeakPolarHBondContact CB-OG1 3.36Å; K8-T64 PolarHBondContact N-O 2.88Å; K8-T64 PolarHBondContact O-N 3.29Å
9D94.9Very high89.6Confident74 Ų7469.1 Ų69.140%0.39638%0.38SS..EExtended strand (participates in β ladder)trans50.342.5176-149.6-7.3000112.8R11 G26 I27 S28 G63D9-R11 PolarHBondContact O-N 3.25Å; D9-R11 IonicContact OD1-CZ 3.47Å; D9-R11 IonicContact OD1-NE 3.16Å; D9-R11 PolarHBondContact OD1-NE 3.4Å; D9-R11 VanDerWaalsContact OD1-NE 3.16Å; D9-R11 IonicContact OD1-NH2 2.89Å; D9-R11 PolarHBondContact OD1-NH2 3.47Å; D9-R11 IonicContact OD2-NH2 3.25Å; D9-R11 PolarHBondContact OD2-NH2 3.05Å; D9-G26 WeakPolarHBondContact OD1-CA 3.15Å; D9-I27 PolarHBondContact N-O 2.9Å; D9-S28 PolarHBondContact N-OG 2.87Å; D9-G63 WeakPolarHBondContact O-CA 3.4Å
10I95.1Very high89.6Confident1 Ų173 Ų731%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-70.7122.7-177.3-69.4-68000110.3L7 K8 L24 G26 I27 I53 A60L7-I10 HydrophobicContact CB-CG1 3.88Å; L7-I10 HydrophobicContact CD2-CG1 4.17Å; L7-I10 HydrophobicContact CG-CG1 4.19Å; K8-I10 PolarHBondContact O-N 2.89Å; I10-L24 HydrophobicContact CG2-CD1 4.44Å; I10-G26 CarbonylContact O-C 3.41Å; I10-G26 WeakPolarHBondContact O-CA 3.4Å; I10-G26 PolarHBondContact O-N 3.22Å; I10-G26 VanDerWaalsContact O-N 3.08Å; I10-I27 PolarHBondContact N-O 3.26Å; I10-I27 PolarHBondContact O-N 2.79Å; I10-I53 HydrophobicContact CG2-CD1 3.99Å; I10-I53 HydrophobicContact CG2-CG2 4.43Å; I10-A60 HydrophobicContact CD1-CB 3.87Å; I10-A60 HydrophobicContact CG2-CB 3.88Å
11R95.6Very high89.7Confident97 Ų9772.9 Ų72.937%0.36640%0.397SS..EExtended strand (participates in β ladder)trans-124.9142.1176.3-60.5171.6-164.8-170.52.6110.5D9 E22 L24 A60 T61 S62D9-R11 PolarHBondContact O-N 3.25Å; D9-R11 IonicContact OD1-CZ 3.47Å; D9-R11 IonicContact OD1-NE 3.16Å; D9-R11 PolarHBondContact OD1-NE 3.4Å; D9-R11 VanDerWaalsContact OD1-NE 3.16Å; D9-R11 IonicContact OD1-NH2 2.89Å; D9-R11 PolarHBondContact OD1-NH2 3.47Å; D9-R11 IonicContact OD2-NH2 3.25Å; D9-R11 PolarHBondContact OD2-NH2 3.05Å; R11-E22 WeakPolarHBondContact CD-OE1 3.22Å; R11-L24 WeakPolarHBondContact CA-O 3.48Å; R11-A60 CarbonylContact O-C 3.56Å; R11-T61 PolarHBondContact O-N 3.16Å; R11-S62 WeakPolarHBondContact CB-OG 3.47Å; R11-S62 PolarHBondContact N-O 3.01Å; R11-S62 PolarHBondContact O-N 3.16Å
12R94Very high90.9Very high44 Ų4468 Ų6817%0.16637%0.371CS..EExtended strand (participates in β ladder)trans-136.2120.8176.4-173.463.3172156.58.6109Y14 V23 L24 T49 I53 D58 K59R12-Y14 HydrophobicContact CG-CE2 4.05Å; R12-V23 PolarHBondContact O-N 3.07Å; R12-L24 HydrophobicContact CB-CB 4.09Å; R12-L24 HydrophobicContact CB-CD1 3.94Å; R12-L24 HydrophobicContact CB-CG 4.05Å; R12-L24 PolarHBondContact N-O 2.89Å; R12-L24 VanDerWaalsContact N-O 3.07Å; R12-L24 PolarHBondContact O-N 3.14Å; R12-L24 VanDerWaalsContact O-N 3.14Å; R12-T49 HydrophobicContact CB-CG2 4.17Å; R12-T49 HydrophobicContact CG-CG2 3.79Å; R12-I53 HydrophobicContact CB-CD1 4.11Å; R12-I53 HydrophobicContact CG-CD1 4.42Å; R12-D58 IonicContact CZ-OD1 3.66Å; R12-D58 IonicContact CZ-OD2 3.09Å; R12-D58 VanDerWaalsContact CZ-OD2 3.26Å; R12-D58 IonicContact NE-OD1 3.26Å; R12-D58 PolarHBondContact NE-OD1 2.6Å; R12-D58 IonicContact NE-OD2 3.44Å; R12-D58 PolarHBondContact NE-OD2 2.85Å; R12-D58 IonicContact NH1-OD1 2.85Å; R12-D58 VanDerWaalsContact NH2-CG 3.26Å; R12-D58 IonicContact NH2-OD1 3.6Å; R12-D58 PolarHBondContact NH2-OD1 3.49Å; R12-D58 IonicContact NH2-OD2 2.7Å; R12-D58 PolarHBondContact NH2-OD2 2.97Å; R12-K59 VanDerWaalsContact CD-O 3.29Å; R12-K59 WeakPolarHBondContact CD-O 3.32Å; R12-K59 PolarHBondContact NE-O 3.37Å; R12-K59 PolarHBondContact NH1-O 2.85Å
13S92.1Very high91.5Very high22 Ų2264.4 Ų64.415%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-117.5131.1176.7-63.70000109.8V21 T61S13-V21 WeakPolarHBondContact CA-O 3.33Å; S13-T61 PolarHBondContact N-OG1 3.22Å
14Y89.5Confident91.8Very high66 Ų6663.8 Ų63.826%0.25935%0.346SS..EExtended strand (participates in β ladder)trans-105141.1172.1-67.2-71.9000109.9R12 A16 V21 V23 T49 D58R12-Y14 HydrophobicContact CG-CE2 4.05Å; Y14-A16 PolarHBondContact O-N 2.9Å; Y14-V21 PolarHBondContact N-O 2.89Å; Y14-V21 PolarHBondContact O-N 2.94Å; Y14-V23 HydrophobicContact CD2-CB 4.17Å; Y14-V23 HydrophobicContact CD2-CG2 3.63Å; Y14-V23 HydrophobicContact CE2-CB 4.3Å; Y14-V23 HydrophobicContact CE2-CG2 4.16Å; Y14-T49 HydrophobicContact CE2-CG2 3.89Å; Y14-T49 WeakPolarHBondContact OH-CG2 3.31Å; Y14-D58 PolarHBondContact OH-OD2 3.4Å
15P87.6Confident91.9Very high110 Ų11066.7 Ų66.771%0.71436%0.357SS*.EExtended strand (participates in β ladder)trans-71.1123.4173.229.3-32.4000110
16A86.6Confident91.9Very high55 Ų5567.7 Ų67.746%0.45537%0.368SS..EExtended strand (participates in β ladder)trans-124.692.1173.500000109.1Y14 D18 E19 V21Y14-A16 PolarHBondContact O-N 2.9Å; A16-D18 PolarHBondContact O-N 2.82Å; A16-E19 PolarHBondContact N-O 3.05Å; A16-E19 PolarHBondContact O-N 3.16Å; A16-V21 HydrophobicContact CB-CB 4.49Å; A16-V21 HydrophobicContact CB-CG2 3.64Å
17G85.7Confident91.8Very high75 Ų7566.9 Ų66.977%0.77336%0.364SS*.THydrogen-bonded Turntrans69.5-127.6-169.500000110.8
18D87.5Confident91.8Very high178 Ų17870.4 Ų70.495%0.95239%0.388SS*.THydrogen-bonded Turntrans-88.7-8.2177.2-63.6-36.8000112.9A16A16-D18 PolarHBondContact O-N 2.82Å
19E89.2Confident91.7Very high151 Ų15166.3 Ų66.371%0.70637%0.371SS*.EExtended strand (participates in β ladder)trans-102.3148-178.1-64-174.617300111.6A16A16-E19 PolarHBondContact N-O 3.05Å; A16-E19 PolarHBondContact O-N 3.16Å
20Q88.3Confident91.6Very high146 Ų14665.7 Ų65.768%0.68237%0.367SS*.EExtended strand (participates in β ladder)trans-92.9119.4168.4-68.8-164.114.300109.2
21V91.2Very high91.5Very high71 Ų7165.6 Ų65.643%0.4337%0.367SS..EExtended strand (participates in β ladder)trans-91.3110.3173.2177.20000108S13 Y14 A16 V23S13-V21 WeakPolarHBondContact CA-O 3.33Å; Y14-V21 PolarHBondContact N-O 2.89Å; Y14-V21 PolarHBondContact O-N 2.94Å; A16-V21 HydrophobicContact CB-CB 4.49Å; A16-V21 HydrophobicContact CB-CG2 3.64Å; V21-V23 HydrophobicContact CG1-CG2 4.24Å; V21-V23 PolarHBondContact O-N 2.97Å
22E90.9Very high91.3Very high78 Ų7864.2 Ų64.236%0.36436%0.362SS..EExtended strand (participates in β ladder)trans-75.7104.3175.1-167.7171-158.900109.8R11 L24 K25R11-E22 WeakPolarHBondContact CD-OE1 3.22Å; E22-L24 VanDerWaalsContact CG-O 3.25Å; E22-L24 WeakPolarHBondContact CG-O 2.96Å; E22-K25 HydrophobicContact CB-CG 4.43Å; E22-K25 HydrophobicContact CG-CG 3.79Å
23V93.1Very high91.1Very high35 Ų3565 Ų6521%0.21238%0.378CS..EExtended strand (participates in β ladder)trans-85.5-30.6-179.2173.90000111.7R12 Y14 V21 T49 G219R12-V23 PolarHBondContact O-N 3.07Å; Y14-V23 HydrophobicContact CD2-CB 4.17Å; Y14-V23 HydrophobicContact CD2-CG2 3.63Å; Y14-V23 HydrophobicContact CE2-CB 4.3Å; Y14-V23 HydrophobicContact CE2-CG2 4.16Å; V21-V23 HydrophobicContact CG1-CG2 4.24Å; V21-V23 PolarHBondContact O-N 2.97Å; V23-T49 HydrophobicContact CG1-CG2 4.25Å; V23-G219 WeakPolarHBondContact O-CA 3.5Å
24L95.1Very high90.9Very high0 Ų064 Ų640%037%0.372CS..EExtended strand (participates in β ladder)trans-124.4129.3171-55.7177.7000109.4I10 R11 R12 E22 I27 G46 T49 L50 I53 I216I10-L24 HydrophobicContact CG2-CD1 4.44Å; R11-L24 WeakPolarHBondContact CA-O 3.48Å; R12-L24 HydrophobicContact CB-CB 4.09Å; R12-L24 HydrophobicContact CB-CD1 3.94Å; R12-L24 HydrophobicContact CB-CG 4.05Å; R12-L24 PolarHBondContact N-O 2.89Å; R12-L24 VanDerWaalsContact N-O 3.07Å; R12-L24 PolarHBondContact O-N 3.14Å; R12-L24 VanDerWaalsContact O-N 3.14Å; E22-L24 VanDerWaalsContact CG-O 3.25Å; E22-L24 WeakPolarHBondContact CG-O 2.96Å; L24-I27 HydrophobicContact CB-CD1 4.25Å; L24-I27 HydrophobicContact CD2-CD1 3.72Å; L24-I27 HydrophobicContact CG-CD1 4.4Å; L24-G46 WeakPolarHBondContact CD2-O 3.3Å; L24-T49 HydrophobicContact CD1-CG2 3.97Å; L24-T49 HydrophobicContact CG-CG2 4.16Å; L24-L50 HydrophobicContact CD1-CB 4.23Å; L24-L50 HydrophobicContact CD1-CD1 4.36Å; L24-L50 HydrophobicContact CD2-CB 4.19Å; L24-I53 HydrophobicContact CD1-CD1 3.53Å; L24-I216 HydrophobicContact CD2-CD1 4.13Å
25K94.2Very high91Very high86 Ų8662 Ų6237%0.37437%0.365SS..EExtended strand (participates in β ladder)trans-117.558.9-168.4-61.6174.9-176.5159.30112.7E22 D218 G219 E220E22-K25 HydrophobicContact CB-CG 4.43Å; E22-K25 HydrophobicContact CG-CG 3.79Å; K25-D218 WeakPolarHBondContact CD-O 3.33Å; K25-D218 VanDerWaalsContact CE-O 3.25Å; K25-D218 WeakPolarHBondContact CE-O 3.14Å; K25-D218 PolarHBondContact NZ-O 2.84Å; K25-G219 PolarHBondContact N-O 3.05Å; K25-E220 HydrophobicContact CB-CG 3.75Å; K25-E220 HydrophobicContact CD-CG 4.22Å
26G93Very high91.3Very high21 Ų2156.9 Ų56.922%0.21633%0.331CS..EExtended strand (participates in β ladder)trans86.451.1169.500000112.9D9 I10 S28D9-G26 WeakPolarHBondContact OD1-CA 3.15Å; I10-G26 CarbonylContact O-C 3.41Å; I10-G26 WeakPolarHBondContact O-CA 3.4Å; I10-G26 PolarHBondContact O-N 3.22Å; I10-G26 VanDerWaalsContact O-N 3.08Å; G26-S28 PolarHBondContact O-N 2.91Å
27I93.7Very high91.7Very high4 Ų454.3 Ų54.32%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-76.5125-178-64.9-179.1000110.3D9 I10 L24 L29 L50 I216 I221D9-I27 PolarHBondContact N-O 2.9Å; I10-I27 PolarHBondContact N-O 3.26Å; I10-I27 PolarHBondContact O-N 2.79Å; L24-I27 HydrophobicContact CB-CD1 4.25Å; L24-I27 HydrophobicContact CD2-CD1 3.72Å; L24-I27 HydrophobicContact CG-CD1 4.4Å; I27-L29 HydrophobicContact CG2-CB 4.44Å; I27-L50 HydrophobicContact CD1-CD1 4.27Å; I27-L50 HydrophobicContact CD1-CD2 4.12Å; I27-L50 HydrophobicContact CG2-CD1 4.41Å; I27-I216 HydrophobicContact CD1-CD1 3.74Å; I27-I221 HydrophobicContact CG1-CG1 4.46Å; I27-I221 HydrophobicContact CG2-CD1 3.46Å; I27-I221 VanDerWaalsContact CG2-CD1 3.46Å; I27-I221 HydrophobicContact CG2-CG1 3.9Å
28S94.6Very high92.1Very high73 Ų7350.7 Ų50.751%0.5127%0.273SS..EExtended strand (participates in β ladder)trans-115.5123.8169.9-59.20000110.1L7 D9 G26L7-S28 CarbonylContact O-C 3.55Å; L7-S28 WeakPolarHBondContact O-CA 3.34Å; D9-S28 PolarHBondContact N-OG 2.87Å; G26-S28 PolarHBondContact O-N 2.91Å
29L93.7Very high92.5Very high5 Ų542.2 Ų42.23%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-153.6130.3-173.6-179.760.8000111.5L7 I27 I31 I214 I221 N224L7-L29 HydrophobicContact CB-CB 4.29Å; L7-L29 WeakPolarHBondContact CB-O 3.25Å; L7-L29 PolarHBondContact N-O 3.24Å; L7-L29 PolarHBondContact O-N 2.87Å; I27-L29 HydrophobicContact CG2-CB 4.44Å; L29-I31 HydrophobicContact CD2-CD1 3.95Å; L29-I31 HydrophobicContact CD2-CG1 4.16Å; L29-I31 HydrophobicContact CG-CD1 4.39Å; L29-I31 HydrophobicContact CG-CG1 4.05Å; L29-I214 HydrophobicContact CD1-CD1 3.44Å; L29-I214 VanDerWaalsContact CD1-CD1 3.44Å; L29-I214 HydrophobicContact CD2-CD1 3.7Å; L29-I214 HydrophobicContact CG-CD1 4.21Å; L29-I221 HydrophobicContact CB-CD1 4.17Å; L29-I221 HydrophobicContact CD1-CD1 4.47Å; L29-I221 HydrophobicContact CD2-CD1 4.4Å; L29-N224 VanDerWaalsContact CD1-ND2 3.3Å; L29-N224 WeakPolarHBondContact CD1-ND2 3.34Å
30D94Very high92.7Very high61 Ų6136.1 Ų36.133%0.32620%0.2SC..EExtended strand (participates in β ladder)trans-112.2128.3172.6-65.3-28.4000110P3 L5 E6 R212P3-D30 HydrophobicContact CB-CB 3.99Å; P3-D30 HydrophobicContact CG-CB 4.21Å; L5-D30 WeakPolarHBondContact O-CA 3.25Å; E6-D30 WeakPolarHBondContact CG-OD1 3.2Å; D30-R212 PolarHBondContact O-NH1 3.44Å
31I92.8Very high92.9Very high0 Ų029.7 Ų29.70%017%0.173CC..EExtended strand (participates in β ladder)trans-122.9128.7176.4-55.2177.5000109.3L4 L5 L29 E35 V37 T196 I198L4-I31 PolarHBondContact N-O 3Å; L5-I31 HydrophobicContact CB-CB 4.17Å; L5-I31 HydrophobicContact CD1-CD1 4.39Å; L5-I31 PolarHBondContact N-O 3.08Å; L5-I31 PolarHBondContact O-N 2.87Å; L29-I31 HydrophobicContact CD2-CD1 3.95Å; L29-I31 HydrophobicContact CD2-CG1 4.16Å; L29-I31 HydrophobicContact CG-CD1 4.39Å; L29-I31 HydrophobicContact CG-CG1 4.05Å; I31-E35 WeakPolarHBondContact CA-OE2 3.45Å; I31-E35 HydrophobicContact CG2-CB 4.31Å; I31-V37 HydrophobicContact CG2-CG2 4.08Å; I31-T196 HydrophobicContact CG2-CG2 3.84Å; I31-I198 HydrophobicContact CD1-CD1 3.49Å; I31-I198 VanDerWaalsContact CD1-CD1 3.49Å; I31-I198 HydrophobicContact CD1-CG1 4.24Å; I31-I198 HydrophobicContact CG2-CD1 4.49Å
32Y91.5Very high92.8Very high68 Ų6829.6 Ų29.627%0.26718%0.18SC..  trans-95.3158.4179.4-62.5-71.6000111.9M1 P3 G34 E35M1-Y32 HydrophobicContact CE-CD1 3.3Å; M1-Y32 HydrophobicContact CE-CD2 4.49Å; M1-Y32 HydrophobicContact CE-CE1 3.96Å; M1-Y32 HydrophobicContact CE-CG 3.64Å; M1-Y32 HydrophobicContact CG-CD1 3.94Å; M1-Y32 HydrophobicContact CG-CE1 3.58Å; M1-Y32 HydrophobicContact SD-CD1 4.11Å; M1-Y32 HydrophobicContact SD-CE1 4.17Å; P3-Y32 HydrophobicContact CB-CD1 4.02Å; P3-Y32 HydrophobicContact CB-CE1 3.77Å; Y32-G34 PolarHBondContact O-N 3.1Å; Y32-E35 PolarHBondContact N-OE2 2.98Å; Y32-E35 WeakPolarHBondContact O-CG 3.39Å; Y32-E35 PolarHBondContact O-N 3.47Å
33A88.5Confident92.6Very high59 Ų5931.5 Ų31.549%0.48820%0.202SC..THydrogen-bonded Turntrans-63136.1178.400000111.3L4 E35 T196L4-A33 HydrophobicContact CB-CB 4.43Å; L4-A33 HydrophobicContact CD2-CB 4.19Å; A33-E35 VanDerWaalsContact C-N 3.3Å; A33-T196 WeakPolarHBondContact CA-OG1 3.25Å
34G87.9Confident92.3Very high3 Ų333.4 Ų33.43%0.03123%0.228CC..THydrogen-bonded Turntrans81.53-179.900000114.8Y32 T196Y32-G34 PolarHBondContact O-N 3.1Å; G34-T196 PolarHBondContact N-OG1 2.98Å
35E91.6Very high92.1Very high23 Ų2333.7 Ų33.711%0.10723%0.23CC..  trans-72.5145.2174.6-70.4-168.7130.900111.7I31 Y32 A33 V37 T196 V197 E211 R212I31-E35 WeakPolarHBondContact CA-OE2 3.45Å; I31-E35 HydrophobicContact CG2-CB 4.31Å; Y32-E35 PolarHBondContact N-OE2 2.98Å; Y32-E35 WeakPolarHBondContact O-CG 3.39Å; Y32-E35 PolarHBondContact O-N 3.47Å; A33-E35 VanDerWaalsContact C-N 3.3Å; E35-V37 HydrophobicContact CB-CG2 3.98Å; E35-T196 CarbonylContact O-C 3.45Å; E35-T196 WeakPolarHBondContact O-CA 3.46Å; E35-V197 PolarHBondContact O-N 3.23Å; E35-E211 WeakPolarHBondContact CA-OE1 3.48Å; E35-R212 IonicContact OE1-NH1 3.58Å; E35-R212 IonicContact OE2-NH1 3.3Å; E35-R212 PolarHBondContact OE2-NH1 3.24Å
36M93.8Very high91.9Very high3 Ų329.8 Ų29.82%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-109.3101.5166.8177.8176.2-174.600110.7M184 R191 V197 I199 A210 E211 R212M36-M184 HydrophobicContact CE-CE 3.58Å; M36-R191 HydrophobicContact CB-CB 4.25Å; M36-R191 HydrophobicContact CB-CG 3.85Å; M36-R191 HydrophobicContact SD-CB 4.44Å; M36-V197 CarbonylContact C-O 3.53Å; M36-V197 VanDerWaalsContact CA-O 3.28Å; M36-V197 WeakPolarHBondContact CA-O 3.28Å; M36-V197 HydrophobicContact CG-CB 4.37Å; M36-I199 HydrophobicContact CE-CD1 3.62Å; M36-A210 HydrophobicContact CG-CB 4.18Å; M36-E211 HydrophobicContact CB-CG 4.03Å; M36-E211 PolarHBondContact N-OE1 2.7Å; M36-E211 WeakPolarHBondContact O-CG 3.37Å; M36-E211 PolarHBondContact O-N 3.41Å; M36-R212 PolarHBondContact O-N 3.34Å
37V94.6Very high91.9Very high0 Ų029.3 Ų29.30%021%0.207CC..EExtended strand (participates in β ladder)trans-106.8130.9-172.5-176.50000110I31 E35 I39 V197 I198 I199 R212 I214I31-V37 HydrophobicContact CG2-CG2 4.08Å; E35-V37 HydrophobicContact CB-CG2 3.98Å; V37-I39 HydrophobicContact CG1-CG1 4.44Å; V37-V197 PolarHBondContact N-O 3.15Å; V37-I198 HydrophobicContact CB-CG1 4.41Å; V37-I198 CarbonylContact O-C 3.54Å; V37-I198 VanDerWaalsContact O-CA 3.3Å; V37-I198 WeakPolarHBondContact O-CA 3.37Å; V37-I199 PolarHBondContact O-N 3.35Å; V37-R212 CarbonylContact C-O 3.58Å; V37-R212 WeakPolarHBondContact CA-O 3.27Å; V37-R212 HydrophobicContact CG2-CB 4.43Å; V37-I214 HydrophobicContact CG1-CD1 3.41Å; V37-I214 VanDerWaalsContact CG1-CD1 3.41Å; V37-I214 HydrophobicContact CG1-CG1 3.89Å
38A95.2Very high91.6Very high0 Ų031.4 Ų31.40%022%0.222CC..EExtended strand (participates in β ladder)trans-103.4123.9166.200000110.3I199 A207 A210 R212 V213 I214A38-I199 CarbonylContact C-O 3.5Å; A38-I199 VanDerWaalsContact CA-O 3.25Å; A38-I199 WeakPolarHBondContact CA-O 3.42Å; A38-A207 HydrophobicContact CB-CB 3.9Å; A38-A210 HydrophobicContact CB-CB 3.44Å; A38-A210 VanDerWaalsContact CB-CB 3.44Å; A38-R212 PolarHBondContact N-O 3.47Å; A38-V213 HydrophobicContact CB-CG2 4.41Å; A38-V213 CarbonylContact O-C 3.54Å; A38-V213 WeakPolarHBondContact O-CA 3.38Å; A38-I214 PolarHBondContact O-N 3.28Å
39I94.8Very high91.4Very high0 Ų029 Ų290%020%0.204CC..EExtended strand (participates in β ladder)trans-96.8103.6170-57.9176.3000107.5V37 K47 L50 L54 I198 I199 V200 T201 I214 I216V37-I39 HydrophobicContact CG1-CG1 4.44Å; I39-K47 HydrophobicContact CG2-CB 4.28Å; I39-L50 HydrophobicContact CD1-CD2 4.1Å; I39-L50 HydrophobicContact CG2-CD2 4.45Å; I39-L54 HydrophobicContact CD1-CD1 3.86Å; I39-I198 HydrophobicContact CD1-CG2 3.76Å; I39-I198 HydrophobicContact CG1-CG2 4.12Å; I39-I199 PolarHBondContact N-O 2.93Å; I39-V200 HydrophobicContact CB-CG2 4.36Å; I39-T201 PolarHBondContact O-N 2.87Å; I39-I214 CarbonylContact C-O 3.5Å; I39-I214 WeakPolarHBondContact CA-O 3.42Å; I39-I216 HydrophobicContact CG2-CG2 3.91Å
40V94.4Very high91.5Very high22 Ų2228.8 Ų28.813%0.13320%0.203CC..EExtended strand (participates in β ladder)trans-101.5136.8-177.368.70000111.9T201 A207 V213 I214 E215 I216V40-T201 VanDerWaalsContact CA-O 3.25Å; V40-T201 WeakPolarHBondContact CA-O 2.93Å; V40-A207 HydrophobicContact CB-CB 4.13Å; V40-A207 HydrophobicContact CG2-CB 4.27Å; V40-V213 HydrophobicContact CB-CG1 4.34Å; V40-V213 HydrophobicContact CG1-CG1 3.6Å; V40-I214 PolarHBondContact N-O 2.91Å; V40-E215 HydrophobicContact CG1-CB 4Å; V40-E215 HydrophobicContact CG1-CG 4.14Å; V40-E215 CarbonylContact O-C 3.59Å; V40-E215 WeakPolarHBondContact O-CA 3.4Å; V40-I216 PolarHBondContact O-N 2.83Å
41G91.3Very high91.4Very high11 Ų1126 Ų2611%0.11319%0.188CC..  trans-179.4161.2175.200000114.4K47 T201 I216G41-K47 PolarHBondContact O-NZ 3.3Å; G41-T201 PolarHBondContact N-O 2.82Å; G41-I216 WeakPolarHBondContact CA-O 3.42Å
42A89.7Confident91.4Very high70 Ų7027.1 Ų27.158%0.57919%0.194SC*.  trans-57.5162.9177.900000112.6G44 S45 K47A42-G44 PolarHBondContact O-N 3.47Å; A42-S45 WeakPolarHBondContact O-CB 3.48Å; A42-S45 PolarHBondContact O-N 3.27Å; A42-S45 PolarHBondContact O-OG 2.85Å; A42-K47 PolarHBondContact O-NZ 3.4Å
43S86.5Confident91.5Very high117 Ų11724 Ų2482%0.81818%0.182SC*.THydrogen-bonded Turntrans-61.5137169.7-165.70000110.1S45S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 3.15Å
44G86.6Confident91.7Very high75 Ų7521.2 Ų21.277%0.77316%0.159SC*.THydrogen-bonded Turntrans76.54.3-176.900000116.2A42 G46A42-G44 PolarHBondContact O-N 3.47Å; G44-G46 PolarHBondContact O-N 3.41Å; G44-G46 VanDerWaalsContact O-N 3.15Å
45S91.8Very high91.9Very high6 Ų621.1 Ų21.14%0.04216%0.157CC..SBendtrans-70.8-4.9179.865.90000115.5A42 S43 G219A42-S45 WeakPolarHBondContact O-CB 3.48Å; A42-S45 PolarHBondContact O-N 3.27Å; A42-S45 PolarHBondContact O-OG 2.85Å; S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 3.15Å; S45-G219 PolarHBondContact O-N 2.78Å; S45-G219 VanDerWaalsContact O-N 3.16Å
46G90.7Very high91.9Very high4 Ų420.1 Ų20.14%0.04115%0.153CC..SBendtrans95.1-1.6-173.100000114.9L24 G44 S48 T49 L50L24-G46 WeakPolarHBondContact CD2-O 3.3Å; G44-G46 PolarHBondContact O-N 3.41Å; G44-G46 VanDerWaalsContact O-N 3.15Å; G46-S48 PolarHBondContact O-N 2.95Å; G46-T49 WeakPolarHBondContact O-CB 3.49Å; G46-T49 PolarHBondContact O-N 2.98Å; G46-T49 VanDerWaalsContact O-N 3.13Å; G46-L50 PolarHBondContact O-N 2.85Å
47K91.5Very high91.7Very high12 Ų1220.4 Ų20.45%0.05215%0.154CC..Hα-helixtrans-55.5-46.2-17667.7-179.5-175.1-74.80114.9I39 G41 A42 L50 M51 V200 I216I39-K47 HydrophobicContact CG2-CB 4.28Å; G41-K47 PolarHBondContact O-NZ 3.3Å; A42-K47 PolarHBondContact O-NZ 3.4Å; K47-L50 WeakPolarHBondContact O-CB 3.46Å; K47-L50 PolarHBondContact O-N 3.44Å; K47-M51 PolarHBondContact O-N 3.22Å; K47-V200 HydrophobicContact CB-CG1 3.81Å; K47-V200 HydrophobicContact CD-CG1 3.69Å; K47-V200 HydrophobicContact CG-CG1 3.7Å; K47-I216 HydrophobicContact CB-CG2 3.81Å
48S88.3Confident91.4Very high48 Ų4820.9 Ų20.934%0.33616%0.157SC..Hα-helixtrans-71.2-33.9178.7-50.50000111.6G46 M51 N52G46-S48 PolarHBondContact O-N 2.95Å; S48-M51 WeakPolarHBondContact O-CB 3.33Å; S48-M51 PolarHBondContact O-N 2.85Å; S48-N52 PolarHBondContact O-N 3.3Å; S48-N52 PolarHBondContact O-ND2 2.78Å
49T91.4Very high91Very high21 Ų2125.2 Ų25.213%0.12918%0.176CC..Hα-helixtrans-63.3-43.7171.9-57.10000111.3R12 Y14 V23 L24 G46 M51 N52 I53R12-T49 HydrophobicContact CB-CG2 4.17Å; R12-T49 HydrophobicContact CG-CG2 3.79Å; Y14-T49 HydrophobicContact CE2-CG2 3.89Å; Y14-T49 WeakPolarHBondContact OH-CG2 3.31Å; V23-T49 HydrophobicContact CG1-CG2 4.25Å; L24-T49 HydrophobicContact CD1-CG2 3.97Å; L24-T49 HydrophobicContact CG-CG2 4.16Å; G46-T49 WeakPolarHBondContact O-CB 3.49Å; G46-T49 PolarHBondContact O-N 2.98Å; G46-T49 VanDerWaalsContact O-N 3.13Å; T49-M51 VanDerWaalsContact C-N 3.32Å; T49-M51 PolarHBondContact O-N 2.86Å; T49-N52 PolarHBondContact O-N 3.26Å; T49-I53 WeakPolarHBondContact O-CG1 3.5Å; T49-I53 PolarHBondContact O-N 3.38Å; T49-I53 VanDerWaalsContact O-N 3.11Å
50L94Very high90.9Very high1 Ų126.6 Ų26.61%0.00519%0.187CC..Hα-helixtrans-60.6-43.5174.6179.760.8000110.9L7 L24 I27 I39 G46 K47 N52 I53 L54 I216L7-L50 HydrophobicContact CD2-CD1 3.7Å; L24-L50 HydrophobicContact CD1-CB 4.23Å; L24-L50 HydrophobicContact CD1-CD1 4.36Å; L24-L50 HydrophobicContact CD2-CB 4.19Å; I27-L50 HydrophobicContact CD1-CD1 4.27Å; I27-L50 HydrophobicContact CD1-CD2 4.12Å; I27-L50 HydrophobicContact CG2-CD1 4.41Å; I39-L50 HydrophobicContact CD1-CD2 4.1Å; I39-L50 HydrophobicContact CG2-CD2 4.45Å; G46-L50 PolarHBondContact O-N 2.85Å; K47-L50 WeakPolarHBondContact O-CB 3.46Å; K47-L50 PolarHBondContact O-N 3.44Å; L50-N52 VanDerWaalsContact C-N 3.35Å; L50-N52 PolarHBondContact O-N 3.33Å; L50-I53 PolarHBondContact O-N 3.04Å; L50-L54 HydrophobicContact CG-CD1 4.36Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 2.74Å; L50-I216 HydrophobicContact CD2-CD1 4.18Å
51M93.2Very high90.7Very high3 Ų329 Ų292%0.01520%0.202CC..Hα-helixtrans-59.5-42.7174.9-168.7-170.663.100113K47 S48 T49 I53 L54 G55 L167 D169 V200K47-M51 PolarHBondContact O-N 3.22Å; S48-M51 WeakPolarHBondContact O-CB 3.33Å; S48-M51 PolarHBondContact O-N 2.85Å; T49-M51 VanDerWaalsContact C-N 3.32Å; T49-M51 PolarHBondContact O-N 2.86Å; M51-I53 VanDerWaalsContact C-N 3.28Å; M51-I53 PolarHBondContact O-N 2.75Å; M51-L54 WeakPolarHBondContact O-CB 3.32Å; M51-L54 PolarHBondContact O-N 2.74Å; M51-G55 PolarHBondContact O-N 2.82Å; M51-L167 HydrophobicContact CG-CB 4.45Å; M51-D169 HydrophobicContact CE-CB 3.64Å; M51-D169 HydrophobicContact SD-CB 3.54Å; M51-D169 VanDerWaalsContact SD-CB 3.54Å; M51-V200 HydrophobicContact CB-CG2 3.92Å; M51-V200 HydrophobicContact CG-CG2 3.9Å; M51-V200 HydrophobicContact SD-CB 4.37Å; M51-V200 HydrophobicContact SD-CG2 3.84Å
52N91.8Very high90.8Very high24 Ų2431 Ų3113%0.12822%0.215CC..Hα-helixtrans-62.5-37.8177.5-68.7-20.6000111.4S48 T49 L50 G55 C56 L57 D58 V642S48-N52 PolarHBondContact O-N 3.3Å; S48-N52 PolarHBondContact O-ND2 2.78Å; T49-N52 PolarHBondContact O-N 3.26Å; L50-N52 VanDerWaalsContact C-N 3.35Å; L50-N52 PolarHBondContact O-N 3.33Å; N52-G55 PolarHBondContact O-N 3.38Å; N52-C56 PolarHBondContact O-N 3.13Å; N52-L57 HydrophobicContact CB-CB 4.18Å; N52-L57 WeakPolarHBondContact O-CA 3.25Å; N52-L57 WeakPolarHBondContact O-CB 3.39Å; N52-L57 PolarHBondContact O-N 3.34Å; N52-D58 HydrophobicContact CB-CB 4.04Å; N52-D58 PolarHBondContact O-N 2.82Å; N52-D58 VanDerWaalsContact O-N 3.14Å; N52-V642 HydrophobicContact CB-CG2 4.11Å; N52-V642 WeakPolarHBondContact ND2-CG1 3.29Å
53I93.3Very high90.9Very high3 Ų329.4 Ų29.42%0.01521%0.205CC..Hα-helixtrans-67.2-46173.5-64.9172.2000110.5I10 R12 L24 T49 L50 M51 G55 C56 D58 A60 Y65I10-I53 HydrophobicContact CG2-CD1 3.99Å; I10-I53 HydrophobicContact CG2-CG2 4.43Å; R12-I53 HydrophobicContact CB-CD1 4.11Å; R12-I53 HydrophobicContact CG-CD1 4.42Å; L24-I53 HydrophobicContact CD1-CD1 3.53Å; T49-I53 WeakPolarHBondContact O-CG1 3.5Å; T49-I53 PolarHBondContact O-N 3.38Å; T49-I53 VanDerWaalsContact O-N 3.11Å; L50-I53 PolarHBondContact O-N 3.04Å; M51-I53 VanDerWaalsContact C-N 3.28Å; M51-I53 PolarHBondContact O-N 2.75Å; I53-G55 PolarHBondContact O-N 3.31Å; I53-C56 PolarHBondContact O-N 3.07Å; I53-D58 HydrophobicContact CG1-CB 4.21Å; I53-A60 HydrophobicContact CD1-CB 4.22Å; I53-Y65 HydrophobicContact CG2-CD1 4.15Å; I53-Y65 WeakPolarHBondContact O-CE1 3.34Å
54L93.7Very high91.3Very high0 Ų026.2 Ų26.20%018%0.18CC..Hα-helixtrans-54.9-43.3176.3-70172.4000111.2L5 L7 I39 L50 M51 C56 Y65 F88 L167 I198L5-L54 HydrophobicContact CD1-CD2 4.2Å; L7-L54 HydrophobicContact CD1-CD2 3.55Å; L7-L54 HydrophobicContact CD2-CD2 3.88Å; L7-L54 HydrophobicContact CG-CD2 4.31Å; I39-L54 HydrophobicContact CD1-CD1 3.86Å; L50-L54 HydrophobicContact CG-CD1 4.36Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 2.74Å; M51-L54 WeakPolarHBondContact O-CB 3.32Å; M51-L54 PolarHBondContact O-N 2.74Å; L54-C56 PolarHBondContact O-N 3.24Å; L54-Y65 WeakPolarHBondContact CA-OH 3.37Å; L54-Y65 HydrophobicContact CD2-CE2 4.33Å; L54-Y65 PolarHBondContact O-OH 3.38Å; L54-F88 WeakPolarHBondContact O-CE1 3.49Å; L54-F88 VanDerWaalsContact O-CZ 3.24Å; L54-F88 WeakPolarHBondContact O-CZ 3.41Å; L54-L167 HydrophobicContact CB-CD1 4.25Å; L54-L167 HydrophobicContact CB-CD2 4.32Å; L54-I198 HydrophobicContact CD1-CD1 4.35Å; L54-I198 HydrophobicContact CD1-CG2 4.37Å
55G92.2Very high91.7Very high0 Ų023 Ų230%015%0.145CC..THydrogen-bonded Turntrans-76.11.6178.200000115.9M51 N52 I53 L57 R84 F90M51-G55 PolarHBondContact O-N 2.82Å; N52-G55 PolarHBondContact O-N 3.38Å; I53-G55 PolarHBondContact O-N 3.31Å; G55-L57 PolarHBondContact O-N 2.93Å; G55-L57 VanDerWaalsContact O-N 3.17Å; G55-R84 WeakPolarHBondContact O-CD 3.4Å; G55-R84 WeakPolarHBondContact O-CG 3.49Å; G55-F90 VanDerWaalsContact CA-CZ 3.46Å; G55-F90 WeakPolarHBondContact O-CZ 3.46Å
56C92.2Very high91.8Very high2 Ų227.2 Ų27.21%0.01416%0.16CC..THydrogen-bonded Turntrans55.929.4-172.7-56.90000112.8N52 I53 L54 L80 R84N52-C56 PolarHBondContact O-N 3.13Å; I53-C56 PolarHBondContact O-N 3.07Å; L54-C56 PolarHBondContact O-N 3.24Å; C56-L80 HydrophobicContact CB-CD2 4.05Å; C56-R84 HydrophobicContact CB-CG 4.43Å; C56-R84 PolarHBondContact O-NH1 3.25Å
57L89.2Confident91.9Very high9 Ų927.1 Ų27.15%0.04716%0.159CC..SBendtrans-85.5-35.1172.2-71.4147.4000110.7N52 G55 F90 A560 P641 V642 L645N52-L57 HydrophobicContact CB-CB 4.18Å; N52-L57 WeakPolarHBondContact O-CA 3.25Å; N52-L57 WeakPolarHBondContact O-CB 3.39Å; N52-L57 PolarHBondContact O-N 3.34Å; G55-L57 PolarHBondContact O-N 2.93Å; G55-L57 VanDerWaalsContact O-N 3.17Å; L57-F90 HydrophobicContact CD1-CD1 4.05Å; L57-F90 HydrophobicContact CD1-CE1 3.34Å; L57-F90 HydrophobicContact CD1-CZ 3.64Å; L57-F90 HydrophobicContact CG-CE1 4.28Å; L57-F90 HydrophobicContact CG-CZ 4.09Å; L57-A560 HydrophobicContact CD2-CB 3.69Å; L57-P641 HydrophobicContact CD2-CB 3.76Å; L57-P641 HydrophobicContact CD2-CG 4.09Å; L57-V642 HydrophobicContact CB-CG2 3.96Å; L57-L645 HydrophobicContact CD2-CD1 4.49Å
58D88.9Confident91.7Very high10 Ų1029.6 Ų29.65%0.05318%0.181CC..SBendtrans-120.9157.6175.1-157-5.7000111R12 Y14 N52 I53 V642R12-D58 IonicContact CZ-OD1 3.66Å; R12-D58 IonicContact CZ-OD2 3.09Å; R12-D58 VanDerWaalsContact CZ-OD2 3.26Å; R12-D58 IonicContact NE-OD1 3.26Å; R12-D58 PolarHBondContact NE-OD1 2.6Å; R12-D58 IonicContact NE-OD2 3.44Å; R12-D58 PolarHBondContact NE-OD2 2.85Å; R12-D58 IonicContact NH1-OD1 2.85Å; R12-D58 VanDerWaalsContact NH2-CG 3.26Å; R12-D58 IonicContact NH2-OD1 3.6Å; R12-D58 PolarHBondContact NH2-OD1 3.49Å; R12-D58 IonicContact NH2-OD2 2.7Å; R12-D58 PolarHBondContact NH2-OD2 2.97Å; Y14-D58 PolarHBondContact OH-OD2 3.4Å; N52-D58 HydrophobicContact CB-CB 4.04Å; N52-D58 PolarHBondContact O-N 2.82Å; N52-D58 VanDerWaalsContact O-N 3.14Å; I53-D58 HydrophobicContact CG1-CB 4.21Å; D58-V642 HydrophobicContact CB-CG2 4.01Å
59K86.6Confident91.7Very high91 Ų9129.1 Ų29.140%0.39618%0.184SC..  trans-103.2136.2170.8-68.7-170.6174.2-165.30110.1R12 L75R12-K59 VanDerWaalsContact CD-O 3.29Å; R12-K59 WeakPolarHBondContact CD-O 3.32Å; R12-K59 PolarHBondContact NE-O 3.37Å; R12-K59 PolarHBondContact NH1-O 2.85Å; K59-L75 PolarHBondContact NZ-O 3.31Å
60A91.4Very high91.5Very high29 Ų2932.5 Ų32.524%0.2420%0.198CC..  trans-60.9149.716900000111.1I10 R11 I53 S62I10-A60 HydrophobicContact CD1-CB 3.87Å; I10-A60 HydrophobicContact CG2-CB 3.88Å; R11-A60 CarbonylContact O-C 3.56Å; I53-A60 HydrophobicContact CD1-CB 4.22Å; A60-S62 WeakPolarHBondContact CB-O 3.4Å
61T91.5Very high91.4Very high73 Ų7334 Ų3445%0.44821%0.206SC..SBendtrans-72.2-35.1172.2-51.30000110.6R11 S13R11-T61 PolarHBondContact O-N 3.16Å; S13-T61 PolarHBondContact N-OG1 3.22Å
62S92.9Very high91.3Very high54 Ų5434.2 Ų34.238%0.37821%0.207SC..EExtended strand (participates in β ladder)trans-152.6168.6171.968.20000111.6R11 A60R11-S62 WeakPolarHBondContact CB-OG 3.47Å; R11-S62 PolarHBondContact N-O 3.01Å; R11-S62 PolarHBondContact O-N 3.16Å; A60-S62 WeakPolarHBondContact CB-O 3.4Å
63G92.2Very high91Very high36 Ų3636.3 Ų36.337%0.37123%0.228SC..EExtended strand (participates in β ladder)trans99.9175.2-174.500000112.1K8 D9K8-G63 WeakPolarHBondContact O-CA 3.36Å; D9-G63 WeakPolarHBondContact O-CA 3.4Å
64T94.2Very high90.7Very high50 Ų5040.7 Ų40.731%0.30726%0.255SS..EExtended strand (participates in β ladder)trans-120.6123.4178.961.20000109.9K8K8-T64 WeakPolarHBondContact CB-OG1 3.36Å; K8-T64 PolarHBondContact N-O 2.88Å; K8-T64 PolarHBondContact O-N 3.29Å
65Y95.4Very high90.5Very high7 Ų742 Ų423%0.02726%0.262CS..EExtended strand (participates in β ladder)trans-115.5119175.5173.3-138.3000109.1L5 E6 L7 I53 L54 V67 D71 V72L5-Y65 HydrophobicContact CB-CE2 4.16Å; L5-Y65 HydrophobicContact CD2-CE2 4.33Å; L5-Y65 WeakPolarHBondContact CD2-OH 3.45Å; E6-Y65 CarbonylContact O-C 3.55Å; E6-Y65 WeakPolarHBondContact O-CA 3.22Å; L7-Y65 HydrophobicContact CD1-CD2 3.7Å; L7-Y65 HydrophobicContact CD1-CE2 3.63Å; L7-Y65 HydrophobicContact CG-CD2 3.62Å; L7-Y65 HydrophobicContact CG-CE2 4.05Å; L7-Y65 HydrophobicContact CG-CG 4.41Å; I53-Y65 HydrophobicContact CG2-CD1 4.15Å; I53-Y65 WeakPolarHBondContact O-CE1 3.34Å; L54-Y65 WeakPolarHBondContact CA-OH 3.37Å; L54-Y65 HydrophobicContact CD2-CE2 4.33Å; L54-Y65 PolarHBondContact O-OH 3.38Å; Y65-V67 HydrophobicContact CD1-CG2 4.46Å; Y65-V67 HydrophobicContact CE1-CG2 3.68Å; Y65-V67 HydrophobicContact CE2-CG2 4.04Å; Y65-V67 VanDerWaalsContact CZ-CG2 3.44Å; Y65-V67 WeakPolarHBondContact OH-CG2 3.35Å; Y65-D71 WeakPolarHBondContact O-CA 3.45Å; Y65-V72 HydrophobicContact CD1-CB 3.86Å; Y65-V72 HydrophobicContact CD1-CG1 4.16Å; Y65-V72 HydrophobicContact CD1-CG2 3.42Å; Y65-V72 VanDerWaalsContact CD1-CG2 3.42Å; Y65-V72 HydrophobicContact CE1-CG2 3.73Å; Y65-V72 HydrophobicContact CG-CG2 4.13Å; Y65-V72 WeakPolarHBondContact O-CG2 3.46Å; Y65-V72 PolarHBondContact O-N 3.48Å
66R94Very high90.2Very high95 Ų9546.9 Ų46.936%0.35829%0.288SS..EExtended strand (participates in β ladder)trans-115.3129.2179.5-58.9173.6177.2178.3-4.3111.5E6 Q70 D71E6-R66 HydrophobicContact CB-CB 4.16Å; E6-R66 PolarHBondContact N-O 2.66Å; E6-R66 PolarHBondContact O-N 3.42Å; E6-R66 VanDerWaalsContact OE2-CD 3.31Å; E6-R66 WeakPolarHBondContact OE2-CD 3.5Å; E6-R66 IonicContact OE2-NH1 3.25Å; R66-Q70 CarbonylContact C-O 3.56Å; R66-Q70 WeakPolarHBondContact CA-O 3.44Å; R66-D71 HydrophobicContact CG-CB 4.08Å
67V92.1Very high89.8Confident2 Ų249.9 Ų49.91%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-106.2118.5173-178.70000107.7L5 Y65 G69 Q70 V72 L83 F88L5-V67 HydrophobicContact CD2-CB 4.33Å; L5-V67 HydrophobicContact CD2-CG1 3.99Å; L5-V67 HydrophobicContact CD2-CG2 4.04Å; Y65-V67 HydrophobicContact CD1-CG2 4.46Å; Y65-V67 HydrophobicContact CE1-CG2 3.68Å; Y65-V67 HydrophobicContact CE2-CG2 4.04Å; Y65-V67 VanDerWaalsContact CZ-CG2 3.44Å; Y65-V67 WeakPolarHBondContact OH-CG2 3.35Å; V67-G69 PolarHBondContact O-N 2.9Å; V67-G69 VanDerWaalsContact O-N 3.12Å; V67-Q70 PolarHBondContact N-O 2.76Å; V67-Q70 WeakPolarHBondContact O-CB 3.11Å; V67-Q70 PolarHBondContact O-N 2.91Å; V67-V72 HydrophobicContact CG2-CG2 3.72Å; V67-L83 HydrophobicContact CB-CD1 4.36Å; V67-F88 HydrophobicContact CG1-CE2 4.04Å; V67-F88 HydrophobicContact CG1-CZ 3.86Å; V67-F88 HydrophobicContact CG2-CE2 4.31Å; V67-F88 HydrophobicContact CG2-CZ 3.9Å
68A87.8Confident89.7Confident63 Ų6352.5 Ų52.552%0.52133%0.327SS..THydrogen-bonded Turntrans49.935.1-172.700000113.1L4 Q70L4-A68 HydrophobicContact CD1-CB 4.23Å; L4-A68 PolarHBondContact O-N 2.84Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 3.04Å
69G87.2Confident89.6Confident38 Ų3853 Ų5339%0.39233%0.333SS..THydrogen-bonded Turntrans84.6-9.2-176.600000115.7V67V67-G69 PolarHBondContact O-N 2.9Å; V67-G69 VanDerWaalsContact O-N 3.12Å
70Q88Confident89.8Confident92 Ų9249.3 Ų49.343%0.4332%0.317SS..EExtended strand (participates in β ladder)trans-86.9121.7177.4-176.262.349.300111.3R66 V67 A68 V72 T74 L75R66-Q70 CarbonylContact C-O 3.56Å; R66-Q70 WeakPolarHBondContact CA-O 3.44Å; V67-Q70 PolarHBondContact N-O 2.76Å; V67-Q70 WeakPolarHBondContact O-CB 3.11Å; V67-Q70 PolarHBondContact O-N 2.91Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 3.04Å; Q70-V72 PolarHBondContact O-N 2.87Å; Q70-T74 PolarHBondContact NE2-OG1 2.89Å; Q70-L75 HydrophobicContact CG-CD1 4.04Å; Q70-L75 HydrophobicContact CG-CD2 4.03Å; Q70-L75 HydrophobicContact CG-CG 4.32Å
71D91.6Very high89.6Confident33 Ų3347.9 Ų47.918%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-73.1118.7179.2-170.2-11.8000112.1Y65 R66 A73 T74Y65-D71 WeakPolarHBondContact O-CA 3.45Å; R66-D71 HydrophobicContact CG-CB 4.08Å; D71-A73 PolarHBondContact O-N 3.16Å; D71-A73 WeakPolarHBondContact OD1-CB 3.48Å; D71-A73 PolarHBondContact OD1-N 3.36Å; D71-T74 HydrophobicContact CB-CG2 4.2Å; D71-T74 PolarHBondContact O-N 3.22Å; D71-T74 VanDerWaalsContact O-N 3.16Å; D71-T74 PolarHBondContact O-OG1 3.33Å
72V90.4Very high89.5Confident7 Ų748.3 Ų48.34%0.04230%0.303CS..G310 helixtrans-62.2-29.1-178.6174.80000112Y65 V67 Q70 T74 L75 L80Y65-V72 HydrophobicContact CD1-CB 3.86Å; Y65-V72 HydrophobicContact CD1-CG1 4.16Å; Y65-V72 HydrophobicContact CD1-CG2 3.42Å; Y65-V72 VanDerWaalsContact CD1-CG2 3.42Å; Y65-V72 HydrophobicContact CE1-CG2 3.73Å; Y65-V72 HydrophobicContact CG-CG2 4.13Å; Y65-V72 WeakPolarHBondContact O-CG2 3.46Å; Y65-V72 PolarHBondContact O-N 3.48Å; V67-V72 HydrophobicContact CG2-CG2 3.72Å; Q70-V72 PolarHBondContact O-N 2.87Å; V72-T74 PolarHBondContact O-N 3.49Å; V72-L75 PolarHBondContact O-N 3.12Å; V72-L80 HydrophobicContact CB-CD2 4.45Å; V72-L80 HydrophobicContact CG1-CD2 3.49Å; V72-L80 VanDerWaalsContact CG1-CD2 3.49Å
73A87.4Confident89.4Confident68 Ų6846.5 Ų46.556%0.56229%0.289SS*.G310 helixtrans-64.7-28.6178.500000112.6D71 L75D71-A73 PolarHBondContact O-N 3.16Å; D71-A73 WeakPolarHBondContact OD1-CB 3.48Å; D71-A73 PolarHBondContact OD1-N 3.36Å; A73-L75 VanDerWaalsContact C-N 3.33Å
74T87Confident89.4Confident95 Ų9545.7 Ų45.758%0.58328%0.275SS*.G310 helixtrans-81.2-12.1-179.665.90000113.8Q70 D71 V72Q70-T74 PolarHBondContact NE2-OG1 2.89Å; D71-T74 HydrophobicContact CB-CG2 4.2Å; D71-T74 PolarHBondContact O-N 3.22Å; D71-T74 VanDerWaalsContact O-N 3.16Å; D71-T74 PolarHBondContact O-OG1 3.33Å; V72-T74 PolarHBondContact O-N 3.49Å
75L87.7Confident89.1Confident29 Ų2943.8 Ų43.815%0.15226%0.262CS..  trans-89.9140.5-174.3-59.3-177.5000112K59 Q70 V72 A73 A79 L80 L83K59-L75 PolarHBondContact NZ-O 3.31Å; Q70-L75 HydrophobicContact CG-CD1 4.04Å; Q70-L75 HydrophobicContact CG-CD2 4.03Å; Q70-L75 HydrophobicContact CG-CG 4.32Å; V72-L75 PolarHBondContact O-N 3.12Å; A73-L75 VanDerWaalsContact C-N 3.33Å; L75-A79 HydrophobicContact CB-CB 3.96Å; L75-A79 HydrophobicContact CD1-CB 4.47Å; L75-A79 HydrophobicContact CD2-CB 4.03Å; L75-A79 HydrophobicContact CG-CB 4.37Å; L75-L80 HydrophobicContact CB-CD2 3.89Å; L75-L80 HydrophobicContact CB-CG 4.14Å; L75-L80 HydrophobicContact CD1-CD2 4.14Å; L75-L83 HydrophobicContact CD1-CD1 3.35Å; L75-L83 HydrophobicContact CD1-CG 4.08Å
76D87Confident88.6Confident101 Ų10145.6 Ų45.654%0.5427%0.27SS..  trans-76.6172.8168.171.29.2000111.3D78 A79 L80D76-D78 PolarHBondContact O-N 2.82Å; D76-D78 PolarHBondContact OD1-N 2.81Å; D76-A79 PolarHBondContact O-N 3.02Å; D76-A79 WeakPolarHBondContact OD1-CB 3.21Å; D76-A79 PolarHBondContact OD1-N 3.49Å; D76-L80 VanDerWaalsContact O-CG 3.28Å; D76-L80 WeakPolarHBondContact O-CG 3.28Å; D76-L80 PolarHBondContact O-N 3.22Å
77A84.2Confident88.3Confident65 Ų6542.4 Ų42.454%0.53726%0.26SS..Hα-helixtrans-61.7-31.8-175.700000113.4A81A77-A81 PolarHBondContact O-N 2.73Å
78D85.4Confident88.4Confident64 Ų6442.9 Ų42.934%0.34226%0.261SS..Hα-helixtrans-77.9-37-178.3-74.3-14.9000111.5D76 L80 A81 Q82 R564D76-D78 PolarHBondContact O-N 2.82Å; D76-D78 PolarHBondContact OD1-N 2.81Å; D78-L80 VanDerWaalsContact C-N 3.35Å; D78-A81 CarbonylContact O-C 3.52Å; D78-A81 WeakPolarHBondContact O-CB 3.41Å; D78-A81 PolarHBondContact O-N 2.81Å; D78-Q82 PolarHBondContact O-N 3.44Å; D78-R564 WeakPolarHBondContact OD1-CB 3.34Å
79A87.5Confident88.6Confident22 Ų2240 Ų4018%0.18224%0.238CC..Hα-helixtrans-66.4-36.5170.800000111.5L75 D76 Q82 L83L75-A79 HydrophobicContact CB-CB 3.96Å; L75-A79 HydrophobicContact CD1-CB 4.47Å; L75-A79 HydrophobicContact CD2-CB 4.03Å; L75-A79 HydrophobicContact CG-CB 4.37Å; D76-A79 PolarHBondContact O-N 3.02Å; D76-A79 WeakPolarHBondContact OD1-CB 3.21Å; D76-A79 PolarHBondContact OD1-N 3.49Å; A79-Q82 WeakPolarHBondContact O-CB 3.46Å; A79-Q82 PolarHBondContact O-N 3.24Å; A79-L83 PolarHBondContact O-N 3.02Å
80L89.9Confident88.8Confident12 Ų1238.6 Ų38.66%0.06322%0.221CC..Hα-helixtrans-63.5-41.4170.1-64.2175.7000111.7C56 V72 L75 D76 D78 Q82 L83 R84C56-L80 HydrophobicContact CB-CD2 4.05Å; V72-L80 HydrophobicContact CB-CD2 4.45Å; V72-L80 HydrophobicContact CG1-CD2 3.49Å; V72-L80 VanDerWaalsContact CG1-CD2 3.49Å; L75-L80 HydrophobicContact CB-CD2 3.89Å; L75-L80 HydrophobicContact CB-CG 4.14Å; L75-L80 HydrophobicContact CD1-CD2 4.14Å; D76-L80 VanDerWaalsContact O-CG 3.28Å; D76-L80 WeakPolarHBondContact O-CG 3.28Å; D76-L80 PolarHBondContact O-N 3.22Å; D78-L80 VanDerWaalsContact C-N 3.35Å; L80-Q82 VanDerWaalsContact C-N 3.28Å; L80-Q82 PolarHBondContact O-N 3.24Å; L80-L83 PolarHBondContact O-N 2.76Å; L80-R84 WeakPolarHBondContact O-CG 3.49Å; L80-R84 PolarHBondContact O-N 3.07Å
81A89.2Confident89.1Confident0 Ų034.3 Ų34.30%020%0.201CC..Hα-helixtrans-63.7-34.6173.700000111.9A77 D78 R84 R85 R564A77-A81 PolarHBondContact O-N 2.73Å; D78-A81 CarbonylContact O-C 3.52Å; D78-A81 WeakPolarHBondContact O-CB 3.41Å; D78-A81 PolarHBondContact O-N 2.81Å; A81-R84 PolarHBondContact O-N 2.97Å; A81-R85 WeakPolarHBondContact O-CG 3.32Å; A81-R85 PolarHBondContact O-N 2.94Å; A81-R564 HydrophobicContact CB-CG 4.42Å
82Q88.9Confident89Confident81 Ų8133.2 Ų33.238%0.37920%0.195SC..Hα-helixtrans-63.8-47.3171.8-176.6176.7-5.600111.9D78 A79 L80 R84 R85 E86D78-Q82 PolarHBondContact O-N 3.44Å; A79-Q82 WeakPolarHBondContact O-CB 3.46Å; A79-Q82 PolarHBondContact O-N 3.24Å; L80-Q82 VanDerWaalsContact C-N 3.28Å; L80-Q82 PolarHBondContact O-N 3.24Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 3.11Å; Q82-R85 PolarHBondContact O-N 2.93Å; Q82-E86 HydrophobicContact CG-CG 4.31Å; Q82-E86 VanDerWaalsContact CG-OE1 3.22Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.44Å; Q82-E86 PolarHBondContact NE2-OE1 2.7Å; Q82-E86 PolarHBondContact O-N 2.8Å
83L90Very high88.8Confident17 Ų1736.5 Ų36.59%0.08921%0.21CC..Hα-helixtrans-57.3-43.8174.4-71.7-176.5000111.6V67 L75 A79 L80 R85 E86 H87 F88V67-L83 HydrophobicContact CB-CD1 4.36Å; L75-L83 HydrophobicContact CD1-CD1 3.35Å; L75-L83 HydrophobicContact CD1-CG 4.08Å; A79-L83 PolarHBondContact O-N 3.02Å; L80-L83 PolarHBondContact O-N 2.76Å; L83-R85 VanDerWaalsContact C-N 3.3Å; L83-R85 PolarHBondContact O-N 3.4Å; L83-E86 PolarHBondContact O-N 3.47Å; L83-H87 WeakPolarHBondContact O-CB 3.34Å; L83-H87 PolarHBondContact O-N 3.31Å; L83-F88 HydrophobicContact CB-CE2 4.31Å; L83-F88 WeakPolarHBondContact O-CD2 3.45Å
84R91.8Very high88.7Confident19 Ų1939.8 Ų39.87%0.07221%0.208CC..Hα-helixtrans-60.1-37.4175.2-70.7-168.9-57.8-86.7-2.1112.6G55 C56 L80 A81 Q82 F90 M559 A560G55-R84 WeakPolarHBondContact O-CD 3.4Å; G55-R84 WeakPolarHBondContact O-CG 3.49Å; C56-R84 HydrophobicContact CB-CG 4.43Å; C56-R84 PolarHBondContact O-NH1 3.25Å; L80-R84 WeakPolarHBondContact O-CG 3.49Å; L80-R84 PolarHBondContact O-N 3.07Å; A81-R84 PolarHBondContact O-N 2.97Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 3.11Å; R84-F90 HydrophobicContact CG-CE2 4.25Å; R84-M559 PolarHBondContact NE-O 3.22Å; R84-M559 PolarHBondContact NH2-O 3.49Å; R84-A560 WeakPolarHBondContact CD-O 3.25Å
85R89Confident88.7Confident10 Ų1036.4 Ų36.44%0.03818%0.184CC..Hα-helixtrans-71.5-40.9176.3-71.5-178.7-70.8140.415.3112.8A81 Q82 L83 Y113 N161 G562A81-R85 WeakPolarHBondContact O-CG 3.32Å; A81-R85 PolarHBondContact O-N 2.94Å; Q82-R85 PolarHBondContact O-N 2.93Å; L83-R85 VanDerWaalsContact C-N 3.3Å; L83-R85 PolarHBondContact O-N 3.4Å; R85-Y113 WeakPolarHBondContact CD-O 3.41Å; R85-Y113 PolarHBondContact NH1-O 3.06Å; R85-N161 WeakPolarHBondContact O-CB 3.42Å; R85-N161 PolarHBondContact O-ND2 2.81Å; R85-N161 VanDerWaalsContact O-ND2 3.13Å; R85-G562 VanDerWaalsContact CD-O 3.23Å; R85-G562 WeakPolarHBondContact CD-O 3.22Å; R85-G562 WeakPolarHBondContact CG-O 3.41Å; R85-G562 PolarHBondContact NE-O 3.13Å
86E85.1Confident88.8Confident44 Ų4437 Ų3721%0.20619%0.186CC..Hα-helixtrans-87.4-35.7-169.6-71.2176.7-172.200113.5Q82 L83 Q164 V240Q82-E86 HydrophobicContact CG-CG 4.31Å; Q82-E86 VanDerWaalsContact CG-OE1 3.22Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.44Å; Q82-E86 PolarHBondContact NE2-OE1 2.7Å; Q82-E86 PolarHBondContact O-N 2.8Å; L83-E86 PolarHBondContact O-N 3.47Å; E86-Q164 PolarHBondContact O-NE2 2.99Å; E86-V240 HydrophobicContact CB-CG1 4.26Å; E86-V240 HydrophobicContact CG-CG1 4.14Å
87H87.6Confident89.1Confident29 Ų2933.1 Ų33.113%0.13417%0.166CC..THydrogen-bonded Turntrans-112.4-40.4-171.5-65.7-78.1000113.4L83 Q164 V165L83-H87 WeakPolarHBondContact O-CB 3.34Å; L83-H87 PolarHBondContact O-N 3.31Å; H87-Q164 PolarHBondContact CE1-OE1 3.36Å; H87-Q164 VanDerWaalsContact CE1-OE1 3.3Å; H87-Q164 VanDerWaalsContact ND1-CD 3.34Å; H87-Q164 PolarHBondContact ND1-OE1 2.97Å; H87-Q164 PolarHBondContact O-N 3.16Å; H87-V165 PolarHBondContact O-N 3.22Å
88F92.8Very high89.4Confident11 Ų1130.2 Ų30.25%0.04814%0.141CC..EExtended strand (participates in β ladder)trans-100139.2-166.3-60.5-80.7000113.5L5 L54 V67 L83 F90 V165 L167L5-F88 HydrophobicContact CD2-CE1 4.31Å; L5-F88 HydrophobicContact CD2-CZ 4.17Å; L54-F88 WeakPolarHBondContact O-CE1 3.49Å; L54-F88 VanDerWaalsContact O-CZ 3.24Å; L54-F88 WeakPolarHBondContact O-CZ 3.41Å; V67-F88 HydrophobicContact CG1-CE2 4.04Å; V67-F88 HydrophobicContact CG1-CZ 3.86Å; V67-F88 HydrophobicContact CG2-CE2 4.31Å; V67-F88 HydrophobicContact CG2-CZ 3.9Å; L83-F88 HydrophobicContact CB-CE2 4.31Å; L83-F88 WeakPolarHBondContact O-CD2 3.45Å; F88-F90 HydrophobicContact CB-CE2 3.93Å; F88-F90 HydrophobicContact CB-CZ 4.18Å; F88-V165 CarbonylContact C-O 3.54Å; F88-V165 VanDerWaalsContact CA-O 3.32Å; F88-V165 WeakPolarHBondContact CA-O 3.49Å; F88-V165 HydrophobicContact CD1-CB 3.76Å; F88-V165 HydrophobicContact CD1-CG1 3.86Å; F88-V165 HydrophobicContact CD1-CG2 4.49Å; F88-V165 HydrophobicContact CE1-CB 3.97Å; F88-V165 HydrophobicContact CE1-CG1 3.91Å; F88-V165 HydrophobicContact CE1-CG2 4.28Å; F88-L167 HydrophobicContact CD1-CD1 3.97Å; F88-L167 HydrophobicContact CD1-CG 4.36Å; F88-L167 HydrophobicContact CE1-CD1 4.44Å
89G92.1Very high89.6Confident4 Ų431.1 Ų31.14%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-123.1128.6166.100000109.9V165 I166 L167G89-V165 PolarHBondContact N-O 3.26Å; G89-I166 CarbonylContact O-C 3.6Å; G89-I166 WeakPolarHBondContact O-CA 3.32Å; G89-L167 PolarHBondContact O-N 3.44Å
90F92.5Very high89.6Confident7 Ų732.6 Ų32.63%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-105.9129.3-177.3-65.6-85.8000112.6G55 L57 R84 F88 F92 L167 A560G55-F90 VanDerWaalsContact CA-CZ 3.46Å; G55-F90 WeakPolarHBondContact O-CZ 3.46Å; L57-F90 HydrophobicContact CD1-CD1 4.05Å; L57-F90 HydrophobicContact CD1-CE1 3.34Å; L57-F90 HydrophobicContact CD1-CZ 3.64Å; L57-F90 HydrophobicContact CG-CE1 4.28Å; L57-F90 HydrophobicContact CG-CZ 4.09Å; R84-F90 HydrophobicContact CG-CE2 4.25Å; F88-F90 HydrophobicContact CB-CE2 3.93Å; F88-F90 HydrophobicContact CB-CZ 4.18Å; F90-F92 HydrophobicContact CB-CD2 4.31Å; F90-F92 HydrophobicContact CB-CE1 4.37Å; F90-F92 HydrophobicContact CB-CE2 3.6Å; F90-F92 HydrophobicContact CB-CZ 3.64Å; F90-F92 HydrophobicContact CD1-CE1 4.47Å; F90-F92 HydrophobicContact CD1-CZ 4.21Å; F90-F92 HydrophobicContact CG-CE2 4.43Å; F90-F92 HydrophobicContact CG-CZ 4.03Å; F90-L167 HydrophobicContact CD1-CB 4.02Å; F90-L167 HydrophobicContact CD1-CD1 4.16Å; F90-L167 HydrophobicContact CE1-CB 4.21Å; F90-L167 HydrophobicContact CE1-CD1 3.48Å; F90-L167 VanDerWaalsContact CE1-CD1 3.48Å; F90-L167 HydrophobicContact CE1-CG 4.38Å; F90-L167 HydrophobicContact CZ-CD1 4.07Å; F90-A560 WeakPolarHBondContact CD2-O 3.5Å; F90-A560 VanDerWaalsContact CE2-O 3.3Å; F90-A560 WeakPolarHBondContact CE2-O 3.41Å
91I92.9Very high89.6Confident2 Ų232.8 Ų32.81%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-116.4121169.2-62.1164.3000106.7I155 A158 I166 L167 A168 D169 P171 L187I91-I155 HydrophobicContact CD1-CB 4.45Å; I91-I155 HydrophobicContact CD1-CG1 3.72Å; I91-I155 HydrophobicContact CG1-CG1 4.27Å; I91-A158 HydrophobicContact CG1-CB 4.06Å; I91-I166 HydrophobicContact CD1-CG2 3.56Å; I91-I166 HydrophobicContact CG1-CG2 4.3Å; I91-L167 PolarHBondContact N-O 3.35Å; I91-A168 HydrophobicContact CB-CB 4.13Å; I91-A168 HydrophobicContact CD1-CB 4.42Å; I91-A168 HydrophobicContact CG2-CB 4.49Å; I91-A168 WeakPolarHBondContact O-CA 3.33Å; I91-D169 PolarHBondContact O-N 3.48Å; I91-P171 HydrophobicContact CG2-CB 4.4Å; I91-L187 HydrophobicContact CD1-CD2 3.99Å
92F90Very high89.8Confident10 Ų1033.5 Ų33.54%0.04416%0.161CC..  trans-109150.4-176.1-62.4-77.4000110.8F90 R94 Y95 H96 D169 I557 A560 L645F90-F92 HydrophobicContact CB-CD2 4.31Å; F90-F92 HydrophobicContact CB-CE1 4.37Å; F90-F92 HydrophobicContact CB-CE2 3.6Å; F90-F92 HydrophobicContact CB-CZ 3.64Å; F90-F92 HydrophobicContact CD1-CE1 4.47Å; F90-F92 HydrophobicContact CD1-CZ 4.21Å; F90-F92 HydrophobicContact CG-CE2 4.43Å; F90-F92 HydrophobicContact CG-CZ 4.03Å; F92-R94 VanDerWaalsContact C-N 3.25Å; F92-R94 PolarHBondContact O-N 3.14Å; F92-Y95 PolarHBondContact O-N 2.86Å; F92-H96 HydrophobicContact CD2-CB 4.23Å; F92-H96 AromaticContact CD2-CD2 3.98Å; F92-H96 AromaticContact CG-CD2 3.65Å; F92-D169 CarbonylContact C-O 3.53Å; F92-I557 HydrophobicContact CD2-CD1 4.06Å; F92-I557 HydrophobicContact CE2-CD1 3.54Å; F92-A560 HydrophobicContact CE2-CB 4.47Å; F92-A560 HydrophobicContact CZ-CB 4.04Å; F92-L645 HydrophobicContact CE1-CD1 3.94Å; F92-L645 HydrophobicContact CZ-CD1 3.84Å
93Q86.5Confident90.2Very high77 Ų7729.7 Ų29.736%0.3614%0.143SC..THydrogen-bonded Turntrans-53.2-41.1178.4-171.5-176.910.500113.2D169 E170Q93-D169 VanDerWaalsContact CA-O 3.3Å; Q93-D169 WeakPolarHBondContact CA-O 3.3Å; Q93-D169 PolarHBondContact N-O 3.36Å; Q93-E170 HydrophobicContact CB-CB 4.03Å; Q93-E170 HydrophobicContact CG-CB 3.77Å
94R85Confident90.5Very high137 Ų13730.1 Ų30.152%0.51715%0.145SC..THydrogen-bonded Turntrans-95.717.4180-66.3-173.5178.7175.23.9113.7F92 H96 E648F92-R94 VanDerWaalsContact C-N 3.25Å; F92-R94 PolarHBondContact O-N 3.14Å; R94-H96 PolarHBondContact O-N 3.49Å; R94-E648 IonicContact CZ-OE1 3.77Å; R94-E648 IonicContact NH1-OE1 2.88Å; R94-E648 PolarHBondContact NH1-OE1 2.91Å; R94-E648 IonicContact NH2-OE1 3.22Å; R94-E648 PolarHBondContact NH2-OE1 2.97Å
95Y88.4Confident90.5Very high23 Ų2330.7 Ų30.79%0.0915%0.148CC..  trans66.4-40.8178.9-35.9-52.7000115.1F92 L97 Q150 Q151 R157 A174 L175F92-Y95 PolarHBondContact O-N 2.86Å; Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.28Å; Y95-Q150 HydrophobicContact CD1-CB 4.46Å; Y95-Q150 HydrophobicContact CD2-CB 3.78Å; Y95-Q150 VanDerWaalsContact CD2-OE1 3.27Å; Y95-Q150 HydrophobicContact CE2-CB 4.29Å; Y95-Q150 HydrophobicContact CG-CB 3.86Å; Y95-Q151 HydrophobicContact CD1-CB 3.92Å; Y95-Q151 HydrophobicContact CD1-CG 4.48Å; Y95-Q151 HydrophobicContact CE1-CB 3.72Å; Y95-Q151 HydrophobicContact CE1-CG 4.33Å; Y95-R157 PolarHBondContact O-NH2 3.2Å; Y95-A174 HydrophobicContact CE1-CB 4.42Å; Y95-A174 VanDerWaalsContact OH-CB 3.23Å; Y95-A174 WeakPolarHBondContact OH-CB 3.43Å; Y95-A174 PolarHBondContact OH-O 3.37Å; Y95-A174 VanDerWaalsContact OH-O 3.09Å; Y95-L175 HydrophobicContact CE1-CD2 4.34Å; Y95-L175 WeakPolarHBondContact OH-CD2 3.28Å
96H88.6Confident90.8Very high41 Ų4130.2 Ų30.219%0.1915%0.147CC..  trans44.854.5-177-67.2-57.8000112.3F92 R94 R157 I557F92-H96 HydrophobicContact CD2-CB 4.23Å; F92-H96 AromaticContact CD2-CD2 3.98Å; F92-H96 AromaticContact CG-CD2 3.65Å; R94-H96 PolarHBondContact O-N 3.49Å; H96-R157 PolarHBondContact O-NH1 2.89Å; H96-I557 HydrophobicContact CB-CD1 4.09Å; H96-I557 HydrophobicContact CB-CG1 4.45Å; H96-I557 WeakPolarHBondContact O-CG1 3.08Å
97L93.4Very high91.3Very high20 Ų2028.1 Ų28.111%0.10514%0.137CC..  trans-84146.4172-59.1179.1000110.3Y95 S99 N106 P142 Q150 V153Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.28Å; L97-S99 PolarHBondContact O-N 3.4Å; L97-N106 HydrophobicContact CD2-CB 4.2Å; L97-P142 HydrophobicContact CB-CB 3.97Å; L97-P142 HydrophobicContact CB-CG 3.59Å; L97-P142 HydrophobicContact CD1-CB 4.11Å; L97-P142 HydrophobicContact CD1-CG 4.08Å; L97-Q150 HydrophobicContact CD1-CB 3.83Å; L97-Q150 HydrophobicContact CD1-CG 4.02Å; L97-V153 HydrophobicContact CD1-CB 4.03Å; L97-V153 HydrophobicContact CD1-CG1 3.95Å; L97-V153 HydrophobicContact CD2-CB 4.37Å; L97-V153 HydrophobicContact CD2-CG1 3.79Å
98L91.4Very high91.6Very high5 Ų527.5 Ų27.53%0.02613%0.134CC..  trans-73.6109172.9-63.9178.1000108.8H100 L101 N106 V109 E554 I557L98-H100 PolarHBondContact O-N 2.84Å; L98-H100 VanDerWaalsContact O-N 3.13Å; L98-L101 HydrophobicContact CB-CB 4.23Å; L98-L101 HydrophobicContact CB-CD1 3.95Å; L98-L101 HydrophobicContact CB-CG 3.97Å; L98-L101 HydrophobicContact CD1-CD1 3.53Å; L98-L101 HydrophobicContact CD1-CG 4.33Å; L98-L101 HydrophobicContact CG-CD1 4.36Å; L98-L101 PolarHBondContact O-N 3.45Å; L98-N106 PolarHBondContact N-OD1 3.2Å; L98-N106 PolarHBondContact O-ND2 3.31Å; L98-N106 VanDerWaalsContact O-ND2 3.15Å; L98-V109 HydrophobicContact CD1-CG2 4.15Å; L98-E554 HydrophobicContact CD2-CB 3.7Å; L98-E554 HydrophobicContact CD2-CG 3.7Å; L98-I557 HydrophobicContact CD2-CG2 3.65Å; L98-I557 HydrophobicContact CG-CG2 4.35Å
99S89.9Confident91.6Very high83 Ų8327.7 Ų27.758%0.5814%0.136SC*.THydrogen-bonded Turntrans-62.2-23.7-172.2-46.90000114L97L97-S99 PolarHBondContact O-N 3.4Å
100H85.6Confident91.6Very high52 Ų5227.8 Ų27.824%0.24114%0.136CC..THydrogen-bonded Turntrans-88.1-1-18063-91.9000113.9L98 E554L98-H100 PolarHBondContact O-N 2.84Å; L98-H100 VanDerWaalsContact O-N 3.13Å; H100-E554 IonicContact CE1-OE1 2.76Å; H100-E554 PolarHBondContact CE1-OE1 2.89Å; H100-E554 VanDerWaalsContact CE1-OE1 3.25Å; H100-E554 IonicContact CE1-OE2 3.97Å; H100-E554 PolarHBondContact CE1-OE2 2.82Å; H100-E554 IonicContact ND1-OE1 3.22Å; H100-E554 PolarHBondContact ND1-OE1 3.31Å; H100-E554 IonicContact ND1-OE2 3.17Å
101L90.9Very high91.5Very high17 Ų1727.5 Ų27.59%0.08913%0.134CC..SBendtrans-112.4150.5178.3-63.4-171.5000110.4L98 Q105 N106 V109 Y141 P142L98-L101 HydrophobicContact CB-CB 4.23Å; L98-L101 HydrophobicContact CB-CD1 3.95Å; L98-L101 HydrophobicContact CB-CG 3.97Å; L98-L101 HydrophobicContact CD1-CD1 3.53Å; L98-L101 HydrophobicContact CD1-CG 4.33Å; L98-L101 HydrophobicContact CG-CD1 4.36Å; L98-L101 PolarHBondContact O-N 3.45Å; L101-Q105 HydrophobicContact CB-CB 3.8Å; L101-Q105 HydrophobicContact CD1-CB 4.28Å; L101-Q105 HydrophobicContact CD2-CB 4.34Å; L101-Q105 HydrophobicContact CG-CB 4.36Å; L101-N106 WeakPolarHBondContact CB-ND2 3.24Å; L101-N106 PolarHBondContact O-ND2 2.79Å; L101-N106 VanDerWaalsContact O-ND2 3.13Å; L101-V109 HydrophobicContact CD1-CG2 3.95Å; L101-Y141 WeakPolarHBondContact O-CD1 3.43Å; L101-P142 WeakPolarHBondContact O-CD 3.27Å
102T94.2Very high91.3Very high15 Ų1528.4 Ų28.49%0.09214%0.14CC..  trans-70.7170.5172.565.70000111.5E104 Q105 N106 E139 Y140 Y141T102-E104 VanDerWaalsContact C-N 3.34Å; T102-E104 PolarHBondContact O-N 2.82Å; T102-Q105 PolarHBondContact O-N 2.81Å; T102-Q105 VanDerWaalsContact OG1-CG 3.29Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.43Å; T102-Q105 PolarHBondContact OG1-N 3.12Å; T102-N106 PolarHBondContact O-N 2.73Å; T102-N106 PolarHBondContact O-ND2 3.24Å; T102-E139 VanDerWaalsContact CG2-O 3.23Å; T102-E139 WeakPolarHBondContact CG2-O 3.41Å; T102-Y140 CarbonylContact C-O 3.51Å; T102-Y140 WeakPolarHBondContact CA-O 3.47Å; T102-Y141 HydrophobicContact CG2-CE1 4.22Å
103A96.3Very high91.2Very high1 Ų128.4 Ų28.41%0.00814%0.14CC..Hα-helixtrans-54.6-49.1174.100000111.5Q105 N106 V107 L129 R137 T138 Y140 L145 V153A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 2.66Å; A103-N106 PolarHBondContact O-N 3.24Å; A103-V107 WeakPolarHBondContact O-CG2 3.13Å; A103-V107 PolarHBondContact O-N 3.27Å; A103-V107 VanDerWaalsContact O-N 3.13Å; A103-L129 HydrophobicContact CB-CD1 4.38Å; A103-R137 WeakPolarHBondContact CB-O 3.4Å; A103-T138 PolarHBondContact N-O 3.02Å; A103-Y140 PolarHBondContact N-O 2.97Å; A103-L145 HydrophobicContact CB-CD1 4.23Å; A103-V153 HydrophobicContact CB-CG1 4.44Å; A103-V153 HydrophobicContact CB-CG2 3.87Å
104E96.2Very high91.1Very high25 Ų2525 Ų2512%0.11713%0.125CC..Hα-helixtrans-55.4-45.8175.8-167.4-174.9-152.200112.5T102 V107 E108 L122 A125 Q126 L129 T138T102-E104 VanDerWaalsContact C-N 3.34Å; T102-E104 PolarHBondContact O-N 2.82Å; E104-V107 PolarHBondContact O-N 3.36Å; E104-E108 PolarHBondContact O-N 2.99Å; E104-L122 HydrophobicContact CG-CD2 3.96Å; E104-A125 HydrophobicContact CG-CB 4.04Å; E104-Q126 WeakPolarHBondContact OE1-CG 3.21Å; E104-Q126 PolarHBondContact OE1-NE2 2.85Å; E104-L129 HydrophobicContact CB-CD1 4.28Å; E104-T138 HydrophobicContact CB-CG2 3.63Å; E104-T138 HydrophobicContact CG-CG2 3.98Å; E104-T138 PolarHBondContact N-O 2.98Å; E104-T138 VanDerWaalsContact N-O 3.07Å
105Q93.1Very high90.9Very high31 Ų3119 Ų1915%0.14511%0.106CC..Hα-helixtrans-71-33.4-177.4-71.1172.81.900112.4L101 T102 A103 V107 E108 V109L101-Q105 HydrophobicContact CB-CB 3.8Å; L101-Q105 HydrophobicContact CD1-CB 4.28Å; L101-Q105 HydrophobicContact CD2-CB 4.34Å; L101-Q105 HydrophobicContact CG-CB 4.36Å; T102-Q105 PolarHBondContact O-N 2.81Å; T102-Q105 VanDerWaalsContact OG1-CG 3.29Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.43Å; T102-Q105 PolarHBondContact OG1-N 3.12Å; A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 2.66Å; Q105-V107 VanDerWaalsContact C-N 3.3Å; Q105-E108 WeakPolarHBondContact O-CB 3.42Å; Q105-E108 PolarHBondContact O-N 3.01Å; Q105-V109 VanDerWaalsContact O-CG2 3.23Å; Q105-V109 WeakPolarHBondContact O-CG2 3.39Å; Q105-V109 PolarHBondContact O-N 3.29Å
106N95.1Very high90.6Very high1 Ų119.1 Ų19.11%0.00511%0.108CC..Hα-helixtrans-63.5-37.8172.3-89.2-79.9000111.8L97 L98 L101 T102 A103 V153 R157L97-N106 HydrophobicContact CD2-CB 4.2Å; L98-N106 PolarHBondContact N-OD1 3.2Å; L98-N106 PolarHBondContact O-ND2 3.31Å; L98-N106 VanDerWaalsContact O-ND2 3.15Å; L101-N106 WeakPolarHBondContact CB-ND2 3.24Å; L101-N106 PolarHBondContact O-ND2 2.79Å; L101-N106 VanDerWaalsContact O-ND2 3.13Å; T102-N106 PolarHBondContact O-N 2.73Å; T102-N106 PolarHBondContact O-ND2 3.24Å; A103-N106 PolarHBondContact O-N 3.24Å; N106-V153 HydrophobicContact CB-CG1 4.01Å; N106-R157 WeakPolarHBondContact O-CD 3.45Å; N106-R157 WeakPolarHBondContact O-CG 3.5Å
107V95.9Very high90.4Very high0 Ų023.3 Ų23.30%013%0.127CC..Hα-helixtrans-70.1-34.2174.71780000111.2A103 E104 Q105 V109 P110 A125 L128 L129 V153 A156 M160A103-V107 WeakPolarHBondContact O-CG2 3.13Å; A103-V107 PolarHBondContact O-N 3.27Å; A103-V107 VanDerWaalsContact O-N 3.13Å; E104-V107 PolarHBondContact O-N 3.36Å; Q105-V107 VanDerWaalsContact C-N 3.3Å; V107-V109 VanDerWaalsContact C-N 3.33Å; V107-V109 PolarHBondContact O-N 3.34Å; V107-P110 WeakPolarHBondContact O-CD 3.38Å; V107-A125 HydrophobicContact CB-CB 4.06Å; V107-A125 HydrophobicContact CG1-CB 3.77Å; V107-L128 HydrophobicContact CG1-CD1 4.24Å; V107-L129 HydrophobicContact CG2-CD2 3.99Å; V107-L129 HydrophobicContact CG2-CG 4.24Å; V107-V153 HydrophobicContact CG2-CG1 4.07Å; V107-A156 HydrophobicContact CB-CB 4.41Å; V107-A156 HydrophobicContact CG1-CB 3.99Å; V107-A156 HydrophobicContact CG2-CB 3.45Å; V107-A156 VanDerWaalsContact CG2-CB 3.45Å; V107-M160 HydrophobicContact CG1-CB 4.4Å; V107-M160 HydrophobicContact CG1-SD 3.9Å; V107-M160 WeakPolarHBondContact O-CB 3.04Å; V107-M160 WeakPolarHBondContact O-CG 3.19Å
108E93.7Very high90.1Very high16 Ų1629 Ų298%0.07515%0.147CC..Hα-helixtrans-65.7-29.9-179.4-155.2-168163.600113.9E104 Q105 P110 A111 V112 R121E104-E108 PolarHBondContact O-N 2.99Å; Q105-E108 WeakPolarHBondContact O-CB 3.42Å; Q105-E108 PolarHBondContact O-N 3.01Å; E108-P110 VanDerWaalsContact C-CD 3.47Å; E108-A111 PolarHBondContact O-N 3.33Å; E108-V112 HydrophobicContact CG-CG2 4.18Å; E108-V112 PolarHBondContact O-N 2.94Å; E108-V112 VanDerWaalsContact O-N 3.1Å; E108-R121 HydrophobicContact CG-CB 3.69Å; E108-R121 IonicContact OE1-CZ 3.5Å; E108-R121 IonicContact OE1-NE 2.61Å; E108-R121 PolarHBondContact OE1-NE 2.79Å; E108-R121 IonicContact OE1-NH2 3.79Å; E108-R121 PolarHBondContact OE1-NH2 3.28Å
109V92.3Very high90Very high14 Ų1436.8 Ų36.89%0.08518%0.181CC..Hα-helixtrans-50.3-47.7-168.1-175.80000114.4L98 L101 Q105 V107 A111 V112 Y113 V561L98-V109 HydrophobicContact CD1-CG2 4.15Å; L101-V109 HydrophobicContact CD1-CG2 3.95Å; Q105-V109 VanDerWaalsContact O-CG2 3.23Å; Q105-V109 WeakPolarHBondContact O-CG2 3.39Å; Q105-V109 PolarHBondContact O-N 3.29Å; V107-V109 VanDerWaalsContact C-N 3.33Å; V107-V109 PolarHBondContact O-N 3.34Å; V109-A111 VanDerWaalsContact C-N 3.26Å; V109-A111 PolarHBondContact O-N 3.23Å; V109-V112 WeakPolarHBondContact O-CB 3.4Å; V109-V112 PolarHBondContact O-N 2.88Å; V109-Y113 HydrophobicContact CG1-CD2 4.25Å; V109-Y113 HydrophobicContact CG1-CE2 3.56Å; V109-Y113 VanDerWaalsContact O-CD2 3.28Å; V109-Y113 WeakPolarHBondContact O-CD2 3.5Å; V109-V561 HydrophobicContact CG1-CG2 3.75Å
110P92.2Very high90Very high7 Ų737.6 Ų37.65%0.04518%0.176CC..Hα-helixtrans-63.2-33.8-179.2-18.532.3000112.6V107 E108 Y113 A114 R157 M160 N161 V561V107-P110 WeakPolarHBondContact O-CD 3.38Å; E108-P110 VanDerWaalsContact C-CD 3.47Å; P110-Y113 PolarHBondContact O-N 3.17Å; P110-A114 PolarHBondContact O-N 2.94Å; P110-R157 HydrophobicContact CG-CG 3.58Å; P110-M160 HydrophobicContact CB-CB 4.43Å; P110-M160 HydrophobicContact CG-CB 4.23Å; P110-N161 WeakPolarHBondContact CB-ND2 3.45Å; P110-N161 PolarHBondContact O-ND2 2.84Å; P110-N161 VanDerWaalsContact O-ND2 3.12Å; P110-V561 HydrophobicContact CB-CB 4.25Å; P110-V561 HydrophobicContact CG-CB 4Å; P110-V561 HydrophobicContact CG-CG1 4.27Å
111A90.9Very high90.3Very high0 Ų035.3 Ų35.30%017%0.165CC..Hα-helixtrans-81.3-21.3-178.600000113.2E108 V109 A114 G115 L116 R121 M160 N161E108-A111 PolarHBondContact O-N 3.33Å; V109-A111 VanDerWaalsContact C-N 3.26Å; V109-A111 PolarHBondContact O-N 3.23Å; A111-A114 PolarHBondContact O-N 3.48Å; A111-G115 PolarHBondContact O-N 2.84Å; A111-G115 VanDerWaalsContact O-N 3.16Å; A111-L116 HydrophobicContact CB-CB 4.44Å; A111-L116 PolarHBondContact O-N 2.86Å; A111-R121 HydrophobicContact CB-CB 4.49Å; A111-R121 VanDerWaalsContact CB-CD 3.46Å; A111-R121 HydrophobicContact CB-CG 3.75Å; A111-R121 WeakPolarHBondContact O-CD 3.44Å; A111-M160 HydrophobicContact CB-CE 3.47Å; A111-M160 VanDerWaalsContact CB-CE 3.47Å; A111-M160 HydrophobicContact CB-CG 3.7Å; A111-M160 HydrophobicContact CB-SD 4.49Å; A111-N161 WeakPolarHBondContact CA-OD1 3.37Å; A111-N161 PolarHBondContact N-OD1 3Å
112V88.6Confident90.4Very high22 Ų2235.6 Ų35.613%0.13317%0.167CC..Hα-helixtrans-57.6-51.4166.6167.10000109.3E108 V109 A114 G115 E256E108-V112 HydrophobicContact CG-CG2 4.18Å; E108-V112 PolarHBondContact O-N 2.94Å; E108-V112 VanDerWaalsContact O-N 3.1Å; V109-V112 WeakPolarHBondContact O-CB 3.4Å; V109-V112 PolarHBondContact O-N 2.88Å; V112-A114 VanDerWaalsContact C-N 3.3Å; V112-A114 PolarHBondContact O-N 2.77Å; V112-G115 PolarHBondContact O-N 2.86Å; V112-G115 VanDerWaalsContact O-N 3.12Å; V112-E256 WeakPolarHBondContact CG1-OE2 3.32Å
113Y86.7Confident90.4Very high10 Ų1039.8 Ų39.84%0.03919%0.188CC..Hα-helixtrans-70.6-24.7178.6-57.3-57.6000113.2R85 V109 P110 G115 Q249 R558 V561 A563 D567R85-Y113 WeakPolarHBondContact CD-O 3.41Å; R85-Y113 PolarHBondContact NH1-O 3.06Å; V109-Y113 HydrophobicContact CG1-CD2 4.25Å; V109-Y113 HydrophobicContact CG1-CE2 3.56Å; V109-Y113 VanDerWaalsContact O-CD2 3.28Å; V109-Y113 WeakPolarHBondContact O-CD2 3.5Å; P110-Y113 PolarHBondContact O-N 3.17Å; Y113-G115 VanDerWaalsContact C-N 3.28Å; Y113-Q249 PolarHBondContact O-NE2 3.45Å; Y113-R558 HydrophobicContact CE2-CB 4.35Å; Y113-R558 HydrophobicContact CE2-CG 4.43Å; Y113-R558 VanDerWaalsContact OH-CD 3.3Å; Y113-R558 WeakPolarHBondContact OH-CD 3.47Å; Y113-R558 WeakPolarHBondContact OH-CG 3.35Å; Y113-V561 HydrophobicContact CD2-CG2 4.15Å; Y113-V561 HydrophobicContact CE2-CG2 4.02Å; Y113-A563 HydrophobicContact CD1-CB 3.89Å; Y113-A563 HydrophobicContact CD2-CB 3.88Å; Y113-A563 HydrophobicContact CE1-CB 3.63Å; Y113-A563 HydrophobicContact CE2-CB 3.59Å; Y113-A563 HydrophobicContact CG-CB 4.03Å; Y113-A563 VanDerWaalsContact CZ-CB 3.47Å; Y113-D567 HydrophobicContact CD1-CB 4.21Å; Y113-D567 WeakPolarHBondContact CD1-OD2 3.25Å; Y113-D567 HydrophobicContact CE1-CB 3.98Å
114A84.9Confident90.3Very high6 Ų641.8 Ų41.85%0.0520%0.195CC..Hα-helixtrans-71.9-19.3172.100000113.6P110 A111 V112P110-A114 PolarHBondContact O-N 2.94Å; A111-A114 PolarHBondContact O-N 3.48Å; V112-A114 VanDerWaalsContact C-N 3.3Å; V112-A114 PolarHBondContact O-N 2.77Å
115G81.3Confident90.2Very high10 Ų1040.6 Ų40.610%0.10319%0.19CC..THydrogen-bonded Turntrans82.523179.500000114.7A111 V112 Y113 V244A111-G115 PolarHBondContact O-N 2.84Å; A111-G115 VanDerWaalsContact O-N 3.16Å; V112-G115 PolarHBondContact O-N 2.86Å; V112-G115 VanDerWaalsContact O-N 3.12Å; Y113-G115 VanDerWaalsContact C-N 3.28Å; G115-V244 WeakPolarHBondContact O-CG2 3.48Å
116L80.9Confident90.3Very high26 Ų2642.4 Ų42.414%0.13620%0.198CC..  trans-73.8151.1177-174.860.6000111A111 R118 Q120 R121 V241A111-L116 HydrophobicContact CB-CB 4.44Å; A111-L116 PolarHBondContact O-N 2.86Å; L116-R118 PolarHBondContact O-N 2.77Å; L116-Q120 HydrophobicContact CD1-CB 4.39Å; L116-Q120 HydrophobicContact CD2-CB 4.45Å; L116-Q120 HydrophobicContact CG-CB 4.24Å; L116-R121 HydrophobicContact CB-CG 3.65Å; L116-R121 HydrophobicContact CD2-CG 3.78Å; L116-R121 HydrophobicContact CG-CG 3.69Å; L116-R121 WeakPolarHBondContact O-CD 3.34Å; L116-R121 VanDerWaalsContact O-CZ 3.28Å; L116-R121 PolarHBondContact O-NH1 3.35Å; L116-V241 HydrophobicContact CB-CG1 4.25Å; L116-V241 HydrophobicContact CD1-CG1 3.86Å; L116-V241 HydrophobicContact CD2-CG1 4.15Å; L116-V241 HydrophobicContact CG-CG1 4.33Å
117E85.2Confident90.3Very high128 Ų12848.1 Ų48.160%0.59823%0.225SC*.  trans-65.8135.9-179.9-68.1-171.6168.600112.6K119 Q120 R121E117-K119 VanDerWaalsContact C-N 3.29Å; E117-K119 PolarHBondContact O-N 2.82Å; E117-K119 VanDerWaalsContact O-N 3.1Å; E117-Q120 HydrophobicContact CB-CG 4.3Å; E117-Q120 WeakPolarHBondContact O-CB 3.44Å; E117-Q120 PolarHBondContact O-N 3.11Å; E117-R121 WeakPolarHBondContact O-CG 3.28Å; E117-R121 PolarHBondContact O-N 2.96Å
118R86.9Confident90.2Very high140 Ų14048.7 Ų48.753%0.52823%0.228SC..Hα-helixtrans-48.3-44.6-177.4-174.9176.1-177.6-90.9-8.3114.1L116 Q120 R121 L122L116-R118 PolarHBondContact O-N 2.77Å; R118-Q120 PolarHBondContact O-N 2.86Å; R118-R121 PolarHBondContact O-N 3.36Å; R118-L122 HydrophobicContact CG-CD1 4.13Å; R118-L122 HydrophobicContact CG-CG 4.45Å; R118-L122 WeakPolarHBondContact O-CG 3.37Å; R118-L122 PolarHBondContact O-N 3.26Å
119K89Confident90.3Very high169 Ų16948 Ų4874%0.73522%0.224SC*.Hα-helixtrans-62.6-42.3180-71.9-174.6178.1-178.50112.2E117 L123E117-K119 VanDerWaalsContact C-N 3.29Å; E117-K119 PolarHBondContact O-N 2.82Å; E117-K119 VanDerWaalsContact O-N 3.1Å; K119-L123 WeakPolarHBondContact O-CG 3.48Å; K119-L123 PolarHBondContact O-N 2.97Å; K119-L123 VanDerWaalsContact O-N 3.16Å
120Q90.5Very high90.4Very high99 Ų9951.9 Ų51.946%0.46324%0.241SC..Hα-helixtrans-68.5-39.1178.7-64.7174.4-900110.9L116 E117 R118 R124L116-Q120 HydrophobicContact CD1-CB 4.39Å; L116-Q120 HydrophobicContact CD2-CB 4.45Å; L116-Q120 HydrophobicContact CG-CB 4.24Å; E117-Q120 HydrophobicContact CB-CG 4.3Å; E117-Q120 WeakPolarHBondContact O-CB 3.44Å; E117-Q120 PolarHBondContact O-N 3.11Å; R118-Q120 PolarHBondContact O-N 2.86Å; Q120-R124 WeakPolarHBondContact O-CB 3.31Å; Q120-R124 PolarHBondContact O-N 3.28Å
121R92Very high90.3Very high4 Ų456.9 Ų56.92%0.01526%0.26CS..Hα-helixtrans-62.9-44176.4-62-172.6-53.4-133.98.6112.3E108 A111 L116 E117 R118 R124 A125 M160 E256E108-R121 HydrophobicContact CG-CB 3.69Å; E108-R121 IonicContact OE1-CZ 3.5Å; E108-R121 IonicContact OE1-NE 2.61Å; E108-R121 PolarHBondContact OE1-NE 2.79Å; E108-R121 IonicContact OE1-NH2 3.79Å; E108-R121 PolarHBondContact OE1-NH2 3.28Å; A111-R121 HydrophobicContact CB-CB 4.49Å; A111-R121 VanDerWaalsContact CB-CD 3.46Å; A111-R121 HydrophobicContact CB-CG 3.75Å; A111-R121 WeakPolarHBondContact O-CD 3.44Å; L116-R121 HydrophobicContact CB-CG 3.65Å; L116-R121 HydrophobicContact CD2-CG 3.78Å; L116-R121 HydrophobicContact CG-CG 3.69Å; L116-R121 WeakPolarHBondContact O-CD 3.34Å; L116-R121 VanDerWaalsContact O-CZ 3.28Å; L116-R121 PolarHBondContact O-NH1 3.35Å; E117-R121 WeakPolarHBondContact O-CG 3.28Å; E117-R121 PolarHBondContact O-N 2.96Å; R118-R121 PolarHBondContact O-N 3.36Å; R121-R124 PolarHBondContact O-N 3.28Å; R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.37Å; R121-A125 PolarHBondContact O-N 3.29Å; R121-M160 HydrophobicContact CB-CE 3.73Å; R121-M160 HydrophobicContact CG-CE 4.13Å; R121-M160 VanDerWaalsContact O-CE 3.28Å; R121-M160 WeakPolarHBondContact O-CE 3.22Å; R121-E256 IonicContact CZ-OE1 3.74Å; R121-E256 IonicContact NH1-OE1 3.95Å; R121-E256 PolarHBondContact NH1-OE1 2.96Å; R121-E256 IonicContact NH1-OE2 3.5Å; R121-E256 IonicContact NH2-OE1 3.43Å; R121-E256 PolarHBondContact NH2-OE1 3.43Å
122L92.6Very high90.3Very high24 Ų2457.4 Ų57.413%0.12626%0.262CS..Hα-helixtrans-65.6-44.8178.9-67.1172.4000111.9E104 R118 R124 A125 Q126E104-L122 HydrophobicContact CG-CD2 3.96Å; R118-L122 HydrophobicContact CG-CD1 4.13Å; R118-L122 HydrophobicContact CG-CG 4.45Å; R118-L122 WeakPolarHBondContact O-CG 3.37Å; R118-L122 PolarHBondContact O-N 3.26Å; L122-R124 VanDerWaalsContact C-N 3.35Å; L122-R124 PolarHBondContact O-N 2.93Å; L122-A125 PolarHBondContact O-N 2.96Å; L122-Q126 WeakPolarHBondContact O-CB 3.45Å; L122-Q126 VanDerWaalsContact O-CG 3.29Å; L122-Q126 WeakPolarHBondContact O-CG 3.39Å; L122-Q126 PolarHBondContact O-N 3.36Å
123L94.1Very high90.4Very high102 Ų10258.4 Ų58.453%0.53428%0.277SS..Hα-helixtrans-58.6-47.3175.6-71.5172.9000111.3K119 A125 Q126 E127K119-L123 WeakPolarHBondContact O-CG 3.48Å; K119-L123 PolarHBondContact O-N 2.97Å; K119-L123 VanDerWaalsContact O-N 3.16Å; L123-A125 PolarHBondContact O-N 3.22Å; L123-Q126 PolarHBondContact O-N 3.45Å; L123-E127 WeakPolarHBondContact O-CG 3.32Å; L123-E127 PolarHBondContact O-N 3.01Å
124R93.5Very high90.8Very high44 Ų4458.1 Ų58.117%0.16628%0.276CS..Hα-helixtrans-63.1-40.8176.5-172.3174.6-172154.94.8112.3Q120 R121 L122 Q126 E127 L128 M160 E238Q120-R124 WeakPolarHBondContact O-CB 3.31Å; Q120-R124 PolarHBondContact O-N 3.28Å; R121-R124 PolarHBondContact O-N 3.28Å; L122-R124 VanDerWaalsContact C-N 3.35Å; L122-R124 PolarHBondContact O-N 2.93Å; R124-Q126 VanDerWaalsContact C-N 3.33Å; R124-Q126 PolarHBondContact O-N 3.32Å; R124-E127 PolarHBondContact O-N 3.25Å; R124-L128 HydrophobicContact CG-CD1 4.11Å; R124-L128 HydrophobicContact CG-CG 4.41Å; R124-L128 WeakPolarHBondContact O-CB 3.42Å; R124-L128 VanDerWaalsContact O-CG 3.24Å; R124-L128 WeakPolarHBondContact O-CG 3.45Å; R124-L128 PolarHBondContact O-N 2.81Å; R124-M160 HydrophobicContact CB-CE 4.14Å; R124-M160 HydrophobicContact CB-SD 4.4Å; R124-M160 HydrophobicContact CG-CE 4.4Å; R124-M160 HydrophobicContact CG-SD 4.14Å; R124-M160 PolarHBondContact NE-O 3.29Å; R124-E238 IonicContact CZ-OE2 3.18Å; R124-E238 IonicContact NH2-OE2 2.78Å; R124-E238 PolarHBondContact NH2-OE2 3.44Å
125A95.1Very high91.2Very high0 Ų062.1 Ų62.10%029%0.294CS..Hα-helixtrans-61.8-42.1176.200000111.5E104 V107 R121 L122 L123 L128 L129E104-A125 HydrophobicContact CG-CB 4.04Å; V107-A125 HydrophobicContact CB-CB 4.06Å; V107-A125 HydrophobicContact CG1-CB 3.77Å; R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.37Å; R121-A125 PolarHBondContact O-N 3.29Å; L122-A125 PolarHBondContact O-N 2.96Å; L123-A125 PolarHBondContact O-N 3.22Å; A125-L128 PolarHBondContact O-N 3Å; A125-L129 WeakPolarHBondContact O-CB 3.48Å; A125-L129 VanDerWaalsContact O-CG 3.23Å; A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 3.18Å
126Q95.4Very high91.8Very high69 Ų6967.9 Ų67.932%0.32232%0.323SS..Hα-helixtrans-64.7-43.7175.6-71172.25.500112E104 L122 L123 R124 L128 L129 Q130 T138E104-Q126 WeakPolarHBondContact OE1-CG 3.21Å; E104-Q126 PolarHBondContact OE1-NE2 2.85Å; L122-Q126 WeakPolarHBondContact O-CB 3.45Å; L122-Q126 VanDerWaalsContact O-CG 3.29Å; L122-Q126 WeakPolarHBondContact O-CG 3.39Å; L122-Q126 PolarHBondContact O-N 3.36Å; L123-Q126 PolarHBondContact O-N 3.45Å; R124-Q126 VanDerWaalsContact C-N 3.33Å; R124-Q126 PolarHBondContact O-N 3.32Å; Q126-L128 PolarHBondContact O-N 3.31Å; Q126-L129 PolarHBondContact O-N 3.44Å; Q126-Q130 VanDerWaalsContact O-CB 3.26Å; Q126-Q130 WeakPolarHBondContact O-CB 3.5Å; Q126-Q130 WeakPolarHBondContact O-CG 3.38Å; Q126-Q130 PolarHBondContact O-N 2.83Å; Q126-T138 HydrophobicContact CG-CG2 4.37Å
127E94.5Very high92.4Very high121 Ų12170.6 Ų70.657%0.56533%0.331SS*.Hα-helixtrans-61.5-42.1175.3-73170.8-174.600111.9L123 R124 Q130 R131L123-E127 WeakPolarHBondContact O-CG 3.32Å; L123-E127 PolarHBondContact O-N 3.01Å; R124-E127 PolarHBondContact O-N 3.25Å; E127-Q130 WeakPolarHBondContact O-CB 3.5Å; E127-Q130 PolarHBondContact O-N 3.39Å; E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 2.9Å
128L93.8Very high92.9Very high12 Ų1265.6 Ų65.66%0.06331%0.309CS..Hα-helixtrans-67.2-41.1177.1-71.1172.8000111.9V107 R124 A125 Q126 R131 L132 A156 L159 M160V107-L128 HydrophobicContact CG1-CD1 4.24Å; R124-L128 HydrophobicContact CG-CD1 4.11Å; R124-L128 HydrophobicContact CG-CG 4.41Å; R124-L128 WeakPolarHBondContact O-CB 3.42Å; R124-L128 VanDerWaalsContact O-CG 3.24Å; R124-L128 WeakPolarHBondContact O-CG 3.45Å; R124-L128 PolarHBondContact O-N 2.81Å; A125-L128 PolarHBondContact O-N 3Å; Q126-L128 PolarHBondContact O-N 3.31Å; L128-R131 PolarHBondContact O-N 2.9Å; L128-L132 WeakPolarHBondContact O-CD1 3.38Å; L128-L132 WeakPolarHBondContact O-CG 3.36Å; L128-L132 PolarHBondContact O-N 3.16Å; L128-A156 HydrophobicContact CB-CB 4.1Å; L128-L159 HydrophobicContact CD1-CB 4.3Å; L128-L159 HydrophobicContact CD2-CB 3.96Å; L128-L159 HydrophobicContact CD2-CD1 4.32Å; L128-M160 HydrophobicContact CD1-CB 4.49Å; L128-M160 HydrophobicContact CD1-SD 3.98Å
129L95.5Very high93.3Very high0 Ų066.3 Ų66.30%032%0.318CS..Hα-helixtrans-67.6-39.8175.3-71.8173.4000111.7A103 E104 V107 A125 Q126 L132 G133 L134 T138 V153 A156A103-L129 HydrophobicContact CB-CD1 4.38Å; E104-L129 HydrophobicContact CB-CD1 4.28Å; V107-L129 HydrophobicContact CG2-CD2 3.99Å; V107-L129 HydrophobicContact CG2-CG 4.24Å; A125-L129 WeakPolarHBondContact O-CB 3.48Å; A125-L129 VanDerWaalsContact O-CG 3.23Å; A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 3.18Å; Q126-L129 PolarHBondContact O-N 3.44Å; L129-L132 CarbonylContact O-C 3.58Å; L129-L132 PolarHBondContact O-N 3.03Å; L129-L132 VanDerWaalsContact O-N 3.15Å; L129-G133 PolarHBondContact O-N 3.3Å; L129-L134 HydrophobicContact CB-CB 4.21Å; L129-L134 HydrophobicContact CD2-CB 4.06Å; L129-L134 HydrophobicContact CD2-CD1 3.79Å; L129-L134 PolarHBondContact O-N 3.26Å; L129-T138 HydrophobicContact CD1-CG2 4.15Å; L129-V153 HydrophobicContact CD2-CG2 4.15Å; L129-A156 HydrophobicContact CD2-CB 4.16Å
130Q94.2Very high93.7Very high96 Ų9662.6 Ų62.645%0.44930%0.3SS..Hα-helixtrans-57.3-49.8172.6-82167.31300111.2Q126 E127 L132 G133 E135Q126-Q130 VanDerWaalsContact O-CB 3.26Å; Q126-Q130 WeakPolarHBondContact O-CB 3.5Å; Q126-Q130 WeakPolarHBondContact O-CG 3.38Å; Q126-Q130 PolarHBondContact O-N 2.83Å; E127-Q130 WeakPolarHBondContact O-CB 3.5Å; E127-Q130 PolarHBondContact O-N 3.39Å; Q130-L132 PolarHBondContact O-N 3.18Å; Q130-G133 PolarHBondContact O-N 2.71Å; Q130-E135 VanDerWaalsContact CA-OE1 3.27Å; Q130-E135 WeakPolarHBondContact CA-OE1 3.3Å; Q130-E135 HydrophobicContact CB-CG 3.97Å; Q130-E135 HydrophobicContact CG-CB 4.48Å; Q130-E135 HydrophobicContact CG-CG 3.31Å
131R89.8Confident93.8Very high113 Ų11363 Ų6343%0.42630%0.299SS..Hα-helixtrans-56.1-27.6177.8-166.2-173.7-157.6153.626.9113.5E127 L128E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 2.9Å; L128-R131 PolarHBondContact O-N 2.9Å
132L91.2Very high94Very high10 Ų1063.1 Ų63.15%0.05230%0.3CS..THydrogen-bonded Turntrans-99.86.9-178.4-62.7167.8000113.1L128 L129 Q130 R152 I155 A156 I186L128-L132 WeakPolarHBondContact O-CD1 3.38Å; L128-L132 WeakPolarHBondContact O-CG 3.36Å; L128-L132 PolarHBondContact O-N 3.16Å; L129-L132 CarbonylContact O-C 3.58Å; L129-L132 PolarHBondContact O-N 3.03Å; L129-L132 VanDerWaalsContact O-N 3.15Å; Q130-L132 PolarHBondContact O-N 3.18Å; L132-R152 HydrophobicContact CB-CB 4.31Å; L132-R152 VanDerWaalsContact CD1-O 3.27Å; L132-R152 WeakPolarHBondContact CD1-O 3.43Å; L132-R152 WeakPolarHBondContact O-CD 3.46Å; L132-R152 PolarHBondContact O-NH1 3.19Å; L132-I155 HydrophobicContact CD1-CB 4.38Å; L132-I155 HydrophobicContact CD1-CG2 4.35Å; L132-I155 HydrophobicContact CD2-CG2 4.36Å; L132-A156 HydrophobicContact CD1-CB 3.67Å; L132-I186 HydrophobicContact CD2-CD1 3.69Å; L132-I186 HydrophobicContact CD2-CG1 4.13Å; L132-I186 HydrophobicContact CD2-CG2 3.84Å
133G91.7Very high94Very high44 Ų4466.5 Ų66.545%0.45433%0.331SS..THydrogen-bonded Turntrans69.936.6178.500000113.6L129 Q130 E135L129-G133 PolarHBondContact O-N 3.3Å; Q130-G133 PolarHBondContact O-N 2.71Å; G133-E135 WeakPolarHBondContact CA-OE2 3.23Å
134L93.9Very high94.1Very high3 Ų367 Ų672%0.01633%0.331CS..  trans-116.121.8-178.2-64.6-179.8000113.5L129 D136 R137 T138 Q149 R152 V153L129-L134 HydrophobicContact CB-CB 4.21Å; L129-L134 HydrophobicContact CD2-CB 4.06Å; L129-L134 HydrophobicContact CD2-CD1 3.79Å; L129-L134 PolarHBondContact O-N 3.26Å; L134-D136 PolarHBondContact O-N 3.42Å; L134-R137 PolarHBondContact O-N 2.78Å; L134-T138 PolarHBondContact O-N 2.69Å; L134-T138 PolarHBondContact O-OG1 3.08Å; L134-Q149 HydrophobicContact CD2-CB 3.98Å; L134-Q149 HydrophobicContact CD2-CG 3.82Å; L134-R152 HydrophobicContact CD1-CB 3.75Å; L134-R152 HydrophobicContact CG-CB 4.44Å; L134-V153 HydrophobicContact CD1-CG2 3.61Å
135E93.1Very high94.1Very high91 Ų9165.4 Ų65.443%0.42533%0.325SS..G310 helixtrans-53.3-52.6-178.1-63.890.9166.200112.6Q130 G133 R137 T138Q130-E135 VanDerWaalsContact CA-OE1 3.27Å; Q130-E135 WeakPolarHBondContact CA-OE1 3.3Å; Q130-E135 HydrophobicContact CB-CG 3.97Å; Q130-E135 HydrophobicContact CG-CB 4.48Å; Q130-E135 HydrophobicContact CG-CG 3.31Å; G133-E135 WeakPolarHBondContact CA-OE2 3.23Å; E135-R137 PolarHBondContact O-N 3.03Å; E135-R137 VanDerWaalsContact O-N 3.08Å; E135-T138 PolarHBondContact O-N 3.47Å; E135-T138 PolarHBondContact O-OG1 2.72Å
136D94.1Very high93.9Very high131 Ų13168.2 Ų68.270%0.70135%0.345SS*.G310 helixtrans-753.4-176.9-60.7-29.5000113.2L134L134-D136 PolarHBondContact O-N 3.42Å
137R94.5Very high93.6Very high83 Ų8366.2 Ų66.231%0.31334%0.343SS..G310 helixtrans-124.26.7-174.4-58.5-63.5178.4-84.6-6.6112.5A103 L134 E135 E139 Y140 L145A103-R137 WeakPolarHBondContact CB-O 3.4Å; L134-R137 PolarHBondContact O-N 2.78Å; E135-R137 PolarHBondContact O-N 3.03Å; E135-R137 VanDerWaalsContact O-N 3.08Å; R137-E139 VanDerWaalsContact C-N 3.27Å; R137-E139 PolarHBondContact O-N 2.96Å; R137-Y140 HydrophobicContact CB-CD2 4.47Å; R137-Y140 HydrophobicContact CG-CD2 4.48Å; R137-Y140 WeakPolarHBondContact O-CB 3.22Å; R137-Y140 PolarHBondContact O-N 3.2Å; R137-Y140 VanDerWaalsContact O-N 3.09Å; R137-L145 HydrophobicContact CB-CD2 3.83Å; R137-L145 HydrophobicContact CG-CD2 4.3Å
138T95.2Very high93.4Very high23 Ų2360.7 Ų60.714%0.14132%0.318CS..THydrogen-bonded Turntrans-54.4-39.4-177.4-58.40000113.2A103 E104 Q126 L129 L134 E135A103-T138 PolarHBondContact N-O 3.02Å; E104-T138 HydrophobicContact CB-CG2 3.63Å; E104-T138 HydrophobicContact CG-CG2 3.98Å; E104-T138 PolarHBondContact N-O 2.98Å; E104-T138 VanDerWaalsContact N-O 3.07Å; Q126-T138 HydrophobicContact CG-CG2 4.37Å; L129-T138 HydrophobicContact CD1-CG2 4.15Å; L134-T138 PolarHBondContact O-N 2.69Å; L134-T138 PolarHBondContact O-OG1 3.08Å; E135-T138 PolarHBondContact O-N 3.47Å; E135-T138 PolarHBondContact O-OG1 2.72Å
139E95.5Very high93.4Very high154 Ų15462.6 Ų62.672%0.7233%0.327SS*.THydrogen-bonded Turntrans-91.5-1.2-177.5-61.7-172167.300114.1T102 R137T102-E139 VanDerWaalsContact CG2-O 3.23Å; T102-E139 WeakPolarHBondContact CG2-O 3.41Å; R137-E139 VanDerWaalsContact C-N 3.27Å; R137-E139 PolarHBondContact O-N 2.96Å
140Y96.5Very high93.3Very high91 Ų9164.4 Ų64.436%0.35734%0.335SS..  trans-78.6141.9-175.2-76.217.8000110.8T102 A103 R137 Q144 L145T102-Y140 CarbonylContact C-O 3.51Å; T102-Y140 WeakPolarHBondContact CA-O 3.47Å; A103-Y140 PolarHBondContact N-O 2.97Å; R137-Y140 HydrophobicContact CB-CD2 4.47Å; R137-Y140 HydrophobicContact CG-CD2 4.48Å; R137-Y140 WeakPolarHBondContact O-CB 3.22Å; R137-Y140 PolarHBondContact O-N 3.2Å; R137-Y140 VanDerWaalsContact O-N 3.09Å; Y140-Q144 HydrophobicContact CD2-CB 3.97Å; Y140-Q144 HydrophobicContact CG-CB 4.22Å; Y140-L145 HydrophobicContact CD2-CD2 4.13Å; Y140-L145 HydrophobicContact CG-CD2 4.44Å
141Y94.4Very high93.3Very high109 Ų10959.9 Ų59.943%0.42731%0.314SS..  trans-74153.8168.7-63.8-73.5000110.1L101 T102 A143 Q144L101-Y141 WeakPolarHBondContact O-CD1 3.43Å; T102-Y141 HydrophobicContact CG2-CE1 4.22Å; Y141-A143 PolarHBondContact O-N 3.1Å; Y141-Q144 WeakPolarHBondContact O-CA 3.4Å; Y141-Q144 WeakPolarHBondContact O-CB 3.4Å; Y141-Q144 PolarHBondContact O-N 3.02Å
142P94.4Very high93.4Very high6 Ų656.6 Ų56.64%0.03930%0.302CS..G310 helixtrans-50.1-38179.5-32.636000114.2L97 L101 Q144 L145 Q150L97-P142 HydrophobicContact CB-CB 3.97Å; L97-P142 HydrophobicContact CB-CG 3.59Å; L97-P142 HydrophobicContact CD1-CB 4.11Å; L97-P142 HydrophobicContact CD1-CG 4.08Å; L101-P142 WeakPolarHBondContact O-CD 3.27Å; P142-Q144 PolarHBondContact O-N 2.97Å; P142-Q144 VanDerWaalsContact O-N 3.11Å; P142-L145 PolarHBondContact O-N 2.94Å; P142-Q150 PolarHBondContact O-NE2 2.97Å
143A93.9Very high93.7Very high95 Ų9556.1 Ų56.179%0.78530%0.299SS*.G310 helixtrans-63.1-16.7177.700000114.5Y141Y141-A143 PolarHBondContact O-N 3.1Å
144Q95Very high93.8Very high112 Ų11254 Ų5452%0.52328%0.278SS..G310 helixtrans-96.8-3.8178.3-59.5172-48.200112.7Y140 Y141 P142Y140-Q144 HydrophobicContact CD2-CB 3.97Å; Y140-Q144 HydrophobicContact CG-CB 4.22Å; Y141-Q144 WeakPolarHBondContact O-CA 3.4Å; Y141-Q144 WeakPolarHBondContact O-CB 3.4Å; Y141-Q144 PolarHBondContact O-N 3.02Å; P142-Q144 PolarHBondContact O-N 2.97Å; P142-Q144 VanDerWaalsContact O-N 3.11Å
145L93.9Very high93.8Very high10 Ų1053.9 Ų53.95%0.05228%0.277CS..SBendtrans-103.2144.4-178.4-61.3177.2000110.7A103 R137 Y140 P142 Q149 Q150 V153A103-L145 HydrophobicContact CB-CD1 4.23Å; R137-L145 HydrophobicContact CB-CD2 3.83Å; R137-L145 HydrophobicContact CG-CD2 4.3Å; Y140-L145 HydrophobicContact CD2-CD2 4.13Å; Y140-L145 HydrophobicContact CG-CD2 4.44Å; P142-L145 PolarHBondContact O-N 2.94Å; L145-Q149 HydrophobicContact CB-CB 4.03Å; L145-Q149 HydrophobicContact CD2-CB 4.38Å; L145-Q150 HydrophobicContact CB-CG 3.66Å; L145-Q150 HydrophobicContact CD1-CG 4.39Å; L145-Q150 PolarHBondContact O-NE2 3.5Å; L145-V153 HydrophobicContact CD1-CG2 3.82Å
146S91.9Very high93.9Very high60 Ų6049.6 Ų49.642%0.4226%0.257SS..  trans-66.6161.9170.376.10000111.5G148 Q149 Q150S146-G148 VanDerWaalsContact C-N 3.31Å; S146-G148 PolarHBondContact O-N 3.32Å; S146-Q149 WeakPolarHBondContact O-CB 3.42Å; S146-Q149 PolarHBondContact O-N 3.42Å; S146-Q149 VanDerWaalsContact O-N 3.07Å; S146-Q149 VanDerWaalsContact OG-CG 3.27Å; S146-Q149 WeakPolarHBondContact OG-CG 3.29Å; S146-Q149 PolarHBondContact OG-N 3.34Å; S146-Q150 WeakPolarHBondContact O-CG 3.49Å; S146-Q150 PolarHBondContact O-N 2.84Å
147G89.7Confident93.9Very high26 Ų2643.7 Ų43.727%0.26823%0.225SC..Hα-helixtrans-54.3-45.117800000113.1Q149 Q150 Q151G147-Q149 PolarHBondContact O-N 3.37Å; G147-Q150 PolarHBondContact O-N 3.32Å; G147-Q151 PolarHBondContact O-N 2.92Å
148G89.4Confident93.8Very high5 Ų540 Ų405%0.05221%0.212CC..Hα-helixtrans-62.2-40.1175.200000113.3S146 Q151 R152 L175S146-G148 VanDerWaalsContact C-N 3.31Å; S146-G148 PolarHBondContact O-N 3.32Å; G148-Q151 PolarHBondContact O-N 3.33Å; G148-R152 WeakPolarHBondContact O-CG 3.48Å; G148-R152 PolarHBondContact O-N 3.3Å; G148-L175 VanDerWaalsContact N-CD2 3.26Å
149Q93.5Very high93.7Very high52 Ų5239.3 Ų39.324%0.24321%0.208CC..Hα-helixtrans-66.6-42.1175.6-69.8168.2-1100111.5L134 L145 S146 G147 Q151 R152 V153L134-Q149 HydrophobicContact CD2-CB 3.98Å; L134-Q149 HydrophobicContact CD2-CG 3.82Å; L145-Q149 HydrophobicContact CB-CB 4.03Å; L145-Q149 HydrophobicContact CD2-CB 4.38Å; S146-Q149 WeakPolarHBondContact O-CB 3.42Å; S146-Q149 PolarHBondContact O-N 3.42Å; S146-Q149 VanDerWaalsContact O-N 3.07Å; S146-Q149 VanDerWaalsContact OG-CG 3.27Å; S146-Q149 WeakPolarHBondContact OG-CG 3.29Å; S146-Q149 PolarHBondContact OG-N 3.34Å; G147-Q149 PolarHBondContact O-N 3.37Å; Q149-Q151 VanDerWaalsContact C-N 3.29Å; Q149-Q151 PolarHBondContact O-N 3.1Å; Q149-R152 PolarHBondContact O-N 3.29Å; Q149-V153 WeakPolarHBondContact O-CG2 3.41Å; Q149-V153 PolarHBondContact O-N 3.02Å
150Q94.6Very high93.6Very high39 Ų3932 Ų3218%0.18217%0.173CC..Hα-helixtrans-61.5-39.3174.7-67.8-179.537.200111.5Y95 L97 P142 L145 S146 G147 V153 S154Y95-Q150 HydrophobicContact CD1-CB 4.46Å; Y95-Q150 HydrophobicContact CD2-CB 3.78Å; Y95-Q150 VanDerWaalsContact CD2-OE1 3.27Å; Y95-Q150 HydrophobicContact CE2-CB 4.29Å; Y95-Q150 HydrophobicContact CG-CB 3.86Å; L97-Q150 HydrophobicContact CD1-CB 3.83Å; L97-Q150 HydrophobicContact CD1-CG 4.02Å; P142-Q150 PolarHBondContact O-NE2 2.97Å; L145-Q150 HydrophobicContact CB-CG 3.66Å; L145-Q150 HydrophobicContact CD1-CG 4.39Å; L145-Q150 PolarHBondContact O-NE2 3.5Å; S146-Q150 WeakPolarHBondContact O-CG 3.49Å; S146-Q150 PolarHBondContact O-N 2.84Å; G147-Q150 PolarHBondContact O-N 3.32Å; Q150-V153 WeakPolarHBondContact O-CB 3.37Å; Q150-V153 PolarHBondContact O-N 2.8Å; Q150-S154 PolarHBondContact O-N 3.33Å
151Q92.8Very high93.2Very high1 Ų128.2 Ų28.21%0.00516%0.16CC..Hα-helixtrans-63.3-44.7175.4-171.167.7-34.700111.4Y95 G147 G148 Q149 V153 S154 I155 P171 L175 V183Y95-Q151 HydrophobicContact CD1-CB 3.92Å; Y95-Q151 HydrophobicContact CD1-CG 4.48Å; Y95-Q151 HydrophobicContact CE1-CB 3.72Å; Y95-Q151 HydrophobicContact CE1-CG 4.33Å; G147-Q151 PolarHBondContact O-N 2.92Å; G148-Q151 PolarHBondContact O-N 3.33Å; Q149-Q151 VanDerWaalsContact C-N 3.29Å; Q149-Q151 PolarHBondContact O-N 3.1Å; Q151-V153 VanDerWaalsContact C-N 3.32Å; Q151-V153 PolarHBondContact O-N 3.02Å; Q151-S154 WeakPolarHBondContact O-CA 3.23Å; Q151-S154 WeakPolarHBondContact O-CB 3.3Å; Q151-S154 PolarHBondContact O-N 3.34Å; Q151-S154 PolarHBondContact O-OG 3.44Å; Q151-S154 PolarHBondContact OE1-OG 3.08Å; Q151-I155 WeakPolarHBondContact O-CG1 3.45Å; Q151-I155 PolarHBondContact O-N 3.5Å; Q151-P171 VanDerWaalsContact NE2-CA 3.29Å; Q151-P171 PolarHBondContact NE2-O 2.86Å; Q151-L175 HydrophobicContact CB-CD1 4.18Å; Q151-L175 HydrophobicContact CB-CD2 4.37Å; Q151-L175 HydrophobicContact CG-CD1 4.09Å; Q151-V183 HydrophobicContact CB-CG2 4.38Å; Q151-V183 HydrophobicContact CG-CG1 4.23Å; Q151-V183 HydrophobicContact CG-CG2 3.89Å
152R93.4Very high92.8Very high43 Ų4323.4 Ų23.416%0.16214%0.143CC..Hα-helixtrans-60.2-39.2173.9-69.3-177.9-164-172.45.6112.4L132 L134 G148 Q149 S154 I155 A156 E182 I186L132-R152 HydrophobicContact CB-CB 4.31Å; L132-R152 VanDerWaalsContact CD1-O 3.27Å; L132-R152 WeakPolarHBondContact CD1-O 3.43Å; L132-R152 WeakPolarHBondContact O-CD 3.46Å; L132-R152 PolarHBondContact O-NH1 3.19Å; L134-R152 HydrophobicContact CD1-CB 3.75Å; L134-R152 HydrophobicContact CG-CB 4.44Å; G148-R152 WeakPolarHBondContact O-CG 3.48Å; G148-R152 PolarHBondContact O-N 3.3Å; Q149-R152 PolarHBondContact O-N 3.29Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 3.5Å; R152-I155 WeakPolarHBondContact O-CB 3.44Å; R152-I155 PolarHBondContact O-N 3.04Å; R152-A156 PolarHBondContact O-N 3.22Å; R152-E182 IonicContact CZ-OE2 2.68Å; R152-E182 IonicContact NH2-OE1 3.24Å; R152-E182 PolarHBondContact NH2-OE1 3.2Å; R152-E182 IonicContact NH2-OE2 3.04Å; R152-E182 PolarHBondContact NH2-OE2 3.44Å; R152-I186 HydrophobicContact CG-CD1 4.34Å
153V96Very high92.3Very high0 Ų023.2 Ų23.20%014%0.142CC..Hα-helixtrans-60.5-39.4171.5175.90000111.3L97 A103 N106 V107 L129 L134 L145 Q149 Q150 Q151 I155 A156 R157L97-V153 HydrophobicContact CD1-CB 4.03Å; L97-V153 HydrophobicContact CD1-CG1 3.95Å; L97-V153 HydrophobicContact CD2-CB 4.37Å; L97-V153 HydrophobicContact CD2-CG1 3.79Å; A103-V153 HydrophobicContact CB-CG1 4.44Å; A103-V153 HydrophobicContact CB-CG2 3.87Å; N106-V153 HydrophobicContact CB-CG1 4.01Å; V107-V153 HydrophobicContact CG2-CG1 4.07Å; L129-V153 HydrophobicContact CD2-CG2 4.15Å; L134-V153 HydrophobicContact CD1-CG2 3.61Å; L145-V153 HydrophobicContact CD1-CG2 3.82Å; Q149-V153 WeakPolarHBondContact O-CG2 3.41Å; Q149-V153 PolarHBondContact O-N 3.02Å; Q150-V153 WeakPolarHBondContact O-CB 3.37Å; Q150-V153 PolarHBondContact O-N 2.8Å; Q151-V153 VanDerWaalsContact C-N 3.32Å; Q151-V153 PolarHBondContact O-N 3.02Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 3.32Å; V153-A156 WeakPolarHBondContact O-CB 3.34Å; V153-A156 PolarHBondContact O-N 3.05Å; V153-R157 WeakPolarHBondContact O-CB 3.47Å; V153-R157 PolarHBondContact O-N 2.94Å
154S94.4Very high92Very high0 Ų020.4 Ų20.40%011%0.112CC..Hα-helixtrans-66.1-35.3176.1880000112.7Q150 Q151 R152 R157 A158Q150-S154 PolarHBondContact O-N 3.33Å; Q151-S154 WeakPolarHBondContact O-CA 3.23Å; Q151-S154 WeakPolarHBondContact O-CB 3.3Å; Q151-S154 PolarHBondContact O-N 3.34Å; Q151-S154 PolarHBondContact O-OG 3.44Å; Q151-S154 PolarHBondContact OE1-OG 3.08Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 3.5Å; S154-R157 WeakPolarHBondContact O-CB 3.41Å; S154-R157 PolarHBondContact O-N 3.27Å; S154-A158 PolarHBondContact O-N 3.33Å
155I93.3Very high92Very high1 Ų115.1 Ų15.11%0.0059%0.088CC..Hα-helixtrans-64.7-48.3173.1-63.3167.4000109.8I91 L132 Q151 R152 V153 R157 A158 L159 V183 I186 L190I91-I155 HydrophobicContact CD1-CB 4.45Å; I91-I155 HydrophobicContact CD1-CG1 3.72Å; I91-I155 HydrophobicContact CG1-CG1 4.27Å; L132-I155 HydrophobicContact CD1-CB 4.38Å; L132-I155 HydrophobicContact CD1-CG2 4.35Å; L132-I155 HydrophobicContact CD2-CG2 4.36Å; Q151-I155 WeakPolarHBondContact O-CG1 3.45Å; Q151-I155 PolarHBondContact O-N 3.5Å; R152-I155 WeakPolarHBondContact O-CB 3.44Å; R152-I155 PolarHBondContact O-N 3.04Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 3.32Å; I155-R157 VanDerWaalsContact C-N 3.26Å; I155-R157 PolarHBondContact O-N 3.18Å; I155-A158 WeakPolarHBondContact O-CB 3.38Å; I155-A158 PolarHBondContact O-N 3.25Å; I155-A158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 3.96Å; I155-L159 HydrophobicContact CG2-CG 4.47Å; I155-L159 VanDerWaalsContact O-CG 3.32Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.25Å; I155-V183 HydrophobicContact CD1-CG1 4.05Å; I155-V183 HydrophobicContact CD1-CG2 4.25Å; I155-I186 HydrophobicContact CD1-CD1 4.48Å; I155-I186 HydrophobicContact CD1-CG2 4.27Å; I155-I186 HydrophobicContact CG2-CG2 3.95Å; I155-L190 HydrophobicContact CG2-CD1 4.21Å
156A94.7Very high92.1Very high0 Ų014.6 Ų14.60%09%0.085CC..Hα-helixtrans-55.2-44.3174.800000111.5V107 L128 L129 L132 R152 V153 L159 M160V107-A156 HydrophobicContact CB-CB 4.41Å; V107-A156 HydrophobicContact CG1-CB 3.99Å; V107-A156 HydrophobicContact CG2-CB 3.45Å; V107-A156 VanDerWaalsContact CG2-CB 3.45Å; L128-A156 HydrophobicContact CB-CB 4.1Å; L129-A156 HydrophobicContact CD2-CB 4.16Å; L132-A156 HydrophobicContact CD1-CB 3.67Å; R152-A156 PolarHBondContact O-N 3.22Å; V153-A156 WeakPolarHBondContact O-CB 3.34Å; V153-A156 PolarHBondContact O-N 3.05Å; A156-L159 PolarHBondContact O-N 3.39Å; A156-M160 PolarHBondContact O-N 2.97Å; A156-M160 VanDerWaalsContact O-N 3.1Å
157R95.2Very high92.2Very high7 Ų711.8 Ų11.83%0.0267%0.066CC..Hα-helixtrans-60.7-44.5175.7-178.7-176.166.2-164.6-6111.9Y95 H96 N106 P110 V153 S154 I155 L159 M160 V561Y95-R157 PolarHBondContact O-NH2 3.2Å; H96-R157 PolarHBondContact O-NH1 2.89Å; N106-R157 WeakPolarHBondContact O-CD 3.45Å; N106-R157 WeakPolarHBondContact O-CG 3.5Å; P110-R157 HydrophobicContact CG-CG 3.58Å; V153-R157 WeakPolarHBondContact O-CB 3.47Å; V153-R157 PolarHBondContact O-N 2.94Å; S154-R157 WeakPolarHBondContact O-CB 3.41Å; S154-R157 PolarHBondContact O-N 3.27Å; I155-R157 VanDerWaalsContact C-N 3.26Å; I155-R157 PolarHBondContact O-N 3.18Å; R157-L159 PolarHBondContact O-N 2.85Å; R157-M160 WeakPolarHBondContact O-CB 3.49Å; R157-M160 PolarHBondContact O-N 3.08Å; R157-V561 HydrophobicContact CG-CG1 4.48Å
158A93.4Very high92.4Very high6 Ų610.6 Ų10.65%0.055%0.053CC..Hα-helixtrans-62.2-30.4177.400000112.6I91 S154 I155I91-A158 HydrophobicContact CG1-CB 4.06Å; S154-A158 PolarHBondContact O-N 3.33Å; I155-A158 WeakPolarHBondContact O-CB 3.38Å; I155-A158 PolarHBondContact O-N 3.25Å; I155-A158 VanDerWaalsContact O-N 3.09Å
159L92.8Very high92.6Very high8 Ų811.5 Ų11.54%0.0426%0.056CC..Hα-helixtrans-85.8-10.6178.3-64.1172.5000114.1L128 I155 A156 R157 N161 G162 I166 L190L128-L159 HydrophobicContact CD1-CB 4.3Å; L128-L159 HydrophobicContact CD2-CB 3.96Å; L128-L159 HydrophobicContact CD2-CD1 4.32Å; I155-L159 HydrophobicContact CG2-CD1 3.96Å; I155-L159 HydrophobicContact CG2-CG 4.47Å; I155-L159 VanDerWaalsContact O-CG 3.32Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.25Å; A156-L159 PolarHBondContact O-N 3.39Å; R157-L159 PolarHBondContact O-N 2.85Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.24Å; L159-G162 WeakPolarHBondContact O-CA 3.38Å; L159-G162 PolarHBondContact O-N 2.92Å; L159-I166 HydrophobicContact CD2-CD1 3.82Å; L159-L190 HydrophobicContact CD1-CD1 4.25Å; L159-L190 HydrophobicContact CD1-CD2 3.95Å; L159-L190 HydrophobicContact CD2-CD1 4.05Å; L159-L190 HydrophobicContact CD2-CD2 3.85Å; L159-L190 HydrophobicContact CD2-CG 3.87Å
160M93.4Very high92.5Very high0 Ų09.4 Ų9.40%05%0.047CC..THydrogen-bonded Turntrans-58.7-39.8-171.7-174.163.9-172.200113V107 P110 A111 R121 R124 L128 A156 R157V107-M160 HydrophobicContact CG1-CB 4.4Å; V107-M160 HydrophobicContact CG1-SD 3.9Å; V107-M160 WeakPolarHBondContact O-CB 3.04Å; V107-M160 WeakPolarHBondContact O-CG 3.19Å; P110-M160 HydrophobicContact CB-CB 4.43Å; P110-M160 HydrophobicContact CG-CB 4.23Å; A111-M160 HydrophobicContact CB-CE 3.47Å; A111-M160 VanDerWaalsContact CB-CE 3.47Å; A111-M160 HydrophobicContact CB-CG 3.7Å; A111-M160 HydrophobicContact CB-SD 4.49Å; R121-M160 HydrophobicContact CB-CE 3.73Å; R121-M160 HydrophobicContact CG-CE 4.13Å; R121-M160 VanDerWaalsContact O-CE 3.28Å; R121-M160 WeakPolarHBondContact O-CE 3.22Å; R124-M160 HydrophobicContact CB-CE 4.14Å; R124-M160 HydrophobicContact CB-SD 4.4Å; R124-M160 HydrophobicContact CG-CE 4.4Å; R124-M160 HydrophobicContact CG-SD 4.14Å; R124-M160 PolarHBondContact NE-O 3.29Å; L128-M160 HydrophobicContact CD1-CB 4.49Å; L128-M160 HydrophobicContact CD1-SD 3.98Å; A156-M160 PolarHBondContact O-N 2.97Å; A156-M160 VanDerWaalsContact O-N 3.1Å; R157-M160 WeakPolarHBondContact O-CB 3.49Å; R157-M160 PolarHBondContact O-N 3.08Å
161N88.1Confident92.2Very high13 Ų137.7 Ų7.77%0.074%0.039CC..THydrogen-bonded Turntrans-96.516.4176.5-67.9-17.4000113R85 P110 A111 L159R85-N161 WeakPolarHBondContact O-CB 3.42Å; R85-N161 PolarHBondContact O-ND2 2.81Å; R85-N161 VanDerWaalsContact O-ND2 3.13Å; P110-N161 WeakPolarHBondContact CB-ND2 3.45Å; P110-N161 PolarHBondContact O-ND2 2.84Å; P110-N161 VanDerWaalsContact O-ND2 3.12Å; A111-N161 WeakPolarHBondContact CA-OD1 3.37Å; A111-N161 PolarHBondContact N-OD1 3Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.24Å
162G84.8Confident92.1Very high7 Ų78.7 Ų8.77%0.0725%0.045CC..  trans98.2-44.4-177.300000113L159 H195L159-G162 WeakPolarHBondContact O-CA 3.38Å; L159-G162 PolarHBondContact O-N 2.92Å; G162-H195 PolarHBondContact O-CE1 3.05Å; G162-H195 PolarHBondContact O-ND1 3.13Å
163G84.5Confident91.7Very high2 Ų28.8 Ų8.82%0.0216%0.059CC..  trans64.260.6175.400000113.2V165 H195G163-V165 PolarHBondContact O-N 2.78Å; G163-H195 PolarHBondContact O-ND1 3.4Å
164Q88.2Confident91.1Very high36 Ų3611.3 Ų11.317%0.1688%0.08CC..SBendtrans-59.7-34.5179-60177.820.700112.7E86 H87 T196E86-Q164 PolarHBondContact O-NE2 2.99Å; H87-Q164 PolarHBondContact CE1-OE1 3.36Å; H87-Q164 VanDerWaalsContact CE1-OE1 3.3Å; H87-Q164 VanDerWaalsContact ND1-CD 3.34Å; H87-Q164 PolarHBondContact ND1-OE1 2.97Å; H87-Q164 PolarHBondContact O-N 3.16Å; Q164-T196 WeakPolarHBondContact O-CB 3.46Å; Q164-T196 PolarHBondContact O-N 2.79Å; Q164-T196 PolarHBondContact O-OG1 3.48Å
165V94.4Very high90.7Very high1 Ų112.6 Ų12.61%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-122.5118171.9-176.70000108.4L4 L5 H87 F88 G89 G163 L167 T196 I198L4-V165 HydrophobicContact CD2-CG2 3.56Å; L4-V165 HydrophobicContact CG-CG2 4.34Å; L5-V165 HydrophobicContact CD1-CG1 4.24Å; H87-V165 PolarHBondContact O-N 3.22Å; F88-V165 CarbonylContact C-O 3.54Å; F88-V165 VanDerWaalsContact CA-O 3.32Å; F88-V165 WeakPolarHBondContact CA-O 3.49Å; F88-V165 HydrophobicContact CD1-CB 3.76Å; F88-V165 HydrophobicContact CD1-CG1 3.86Å; F88-V165 HydrophobicContact CD1-CG2 4.49Å; F88-V165 HydrophobicContact CE1-CB 3.97Å; F88-V165 HydrophobicContact CE1-CG1 3.91Å; F88-V165 HydrophobicContact CE1-CG2 4.28Å; G89-V165 PolarHBondContact N-O 3.26Å; G163-V165 PolarHBondContact O-N 2.78Å; V165-L167 HydrophobicContact CG1-CD2 3.96Å; V165-L167 HydrophobicContact CG1-CG 4.27Å; V165-T196 CarbonylContact C-O 3.57Å; V165-T196 VanDerWaalsContact CA-O 3.31Å; V165-T196 WeakPolarHBondContact CA-O 3.45Å; V165-I198 HydrophobicContact CG1-CD1 4.17Å
166I95.1Very high90.4Very high0 Ų016.9 Ų16.90%011%0.11CC..EExtended strand (participates in β ladder)trans-102.4115.9175.7-59.5177.6000108G89 I91 L159 L187 L190 H195 T196 V197 I198G89-I166 CarbonylContact O-C 3.6Å; G89-I166 WeakPolarHBondContact O-CA 3.32Å; I91-I166 HydrophobicContact CD1-CG2 3.56Å; I91-I166 HydrophobicContact CG1-CG2 4.3Å; L159-I166 HydrophobicContact CD2-CD1 3.82Å; I166-L187 HydrophobicContact CG2-CD2 4.42Å; I166-L190 HydrophobicContact CD1-CB 4.22Å; I166-L190 HydrophobicContact CD1-CD1 3.55Å; I166-L190 HydrophobicContact CD1-CG 3.68Å; I166-H195 HydrophobicContact CD1-CB 4.29Å; I166-T196 PolarHBondContact N-O 3.44Å; I166-V197 HydrophobicContact CB-CG2 4.45Å; I166-I198 PolarHBondContact O-N 2.97Å
167L95Very high90Very high1 Ų121.6 Ų21.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-99.2119.1174.9-61178.7000108.4M51 L54 F88 G89 F90 I91 V165 I198M51-L167 HydrophobicContact CG-CB 4.45Å; L54-L167 HydrophobicContact CB-CD1 4.25Å; L54-L167 HydrophobicContact CB-CD2 4.32Å; F88-L167 HydrophobicContact CD1-CD1 3.97Å; F88-L167 HydrophobicContact CD1-CG 4.36Å; F88-L167 HydrophobicContact CE1-CD1 4.44Å; G89-L167 PolarHBondContact O-N 3.44Å; F90-L167 HydrophobicContact CD1-CB 4.02Å; F90-L167 HydrophobicContact CD1-CD1 4.16Å; F90-L167 HydrophobicContact CE1-CB 4.21Å; F90-L167 HydrophobicContact CE1-CD1 3.48Å; F90-L167 VanDerWaalsContact CE1-CD1 3.48Å; F90-L167 HydrophobicContact CE1-CG 4.38Å; F90-L167 HydrophobicContact CZ-CD1 4.07Å; I91-L167 PolarHBondContact N-O 3.35Å; V165-L167 HydrophobicContact CG1-CD2 3.96Å; V165-L167 HydrophobicContact CG1-CG 4.27Å; L167-I198 HydrophobicContact CD2-CB 3.74Å; L167-I198 HydrophobicContact CD2-CD1 3.76Å; L167-I198 HydrophobicContact CD2-CG1 4.15Å; L167-I198 HydrophobicContact CD2-CG2 4.34Å
168A94.3Very high89.7Confident0 Ų026.8 Ų26.80%017%0.167CC..EExtended strand (participates in β ladder)trans-121.4107-175.400000111.2I91 P171 I198 I199 V200I91-A168 HydrophobicContact CB-CB 4.13Å; I91-A168 HydrophobicContact CD1-CB 4.42Å; I91-A168 HydrophobicContact CG2-CB 4.49Å; I91-A168 WeakPolarHBondContact O-CA 3.33Å; A168-P171 HydrophobicContact CB-CB 4.1Å; A168-P171 HydrophobicContact CB-CG 4Å; A168-I198 PolarHBondContact N-O 2.92Å; A168-I199 HydrophobicContact CB-CG1 4.34Å; A168-I199 CarbonylContact O-C 3.54Å; A168-I199 WeakPolarHBondContact O-CA 3.32Å; A168-V200 PolarHBondContact O-N 3.18Å
169D92.1Very high89.4Confident24 Ų2427.4 Ų27.413%0.12817%0.171CC..EExtended strand (participates in β ladder)trans-87.4110.2176.6-15914.5000110.3M51 I91 F92 Q93M51-D169 HydrophobicContact CE-CB 3.64Å; M51-D169 HydrophobicContact SD-CB 3.54Å; M51-D169 VanDerWaalsContact SD-CB 3.54Å; I91-D169 PolarHBondContact O-N 3.48Å; F92-D169 CarbonylContact C-O 3.53Å; Q93-D169 VanDerWaalsContact CA-O 3.3Å; Q93-D169 WeakPolarHBondContact CA-O 3.3Å; Q93-D169 PolarHBondContact N-O 3.36Å
170E91.2Very high89.2Confident9 Ų927.3 Ų27.34%0.04217%0.172CC..SBendtrans45.255.9179.5-58.9-71.2-179.800113Q93 T172 G173 V200 T201 H202Q93-E170 HydrophobicContact CB-CB 4.03Å; Q93-E170 HydrophobicContact CG-CB 3.77Å; E170-T172 PolarHBondContact O-N 3.39Å; E170-G173 PolarHBondContact O-N 3.09Å; E170-V200 WeakPolarHBondContact CA-O 3.38Å; E170-V200 PolarHBondContact N-O 3.49Å; E170-T201 VanDerWaalsContact CD-CA 3.44Å; E170-T201 VanDerWaalsContact OE1-C 3.31Å; E170-T201 VanDerWaalsContact OE1-CA 3.28Å; E170-T201 WeakPolarHBondContact OE1-CA 3.32Å; E170-T201 VanDerWaalsContact OE2-CA 3.32Å; E170-T201 WeakPolarHBondContact OE2-CA 3.39Å; E170-T201 WeakPolarHBondContact OE2-CB 3.46Å; E170-T201 PolarHBondContact OE2-OG1 3.36Å; E170-H202 IonicContact OE1-CE1 3.43Å; E170-H202 IonicContact OE1-CG 2.73Å; E170-H202 PolarHBondContact OE1-N 2.92Å; E170-H202 IonicContact OE1-ND1 3.22Å; E170-H202 PolarHBondContact OE1-ND1 3.23Å; E170-H202 IonicContact OE2-CE1 3.02Å; E170-H202 PolarHBondContact OE2-N 3.4Å; E170-H202 IonicContact OE2-ND1 3.77Å; E170-H202 PolarHBondContact OE2-ND1 3.07Å
171P90Very high89Confident2 Ų234.2 Ų34.21%0.01320%0.204CC..THydrogen-bonded Turntrans-63.1-17.3-166.424-34.1000114.7I91 Q151 A168 V183 L187 I199I91-P171 HydrophobicContact CG2-CB 4.4Å; Q151-P171 VanDerWaalsContact NE2-CA 3.29Å; Q151-P171 PolarHBondContact NE2-O 2.86Å; A168-P171 HydrophobicContact CB-CB 4.1Å; A168-P171 HydrophobicContact CB-CG 4Å; P171-V183 HydrophobicContact CB-CG1 4.27Å; P171-L187 HydrophobicContact CB-CD1 4.38Å; P171-L187 HydrophobicContact CG-CD1 4.23Å; P171-I199 HydrophobicContact CG-CG2 3.79Å
172T90Very high89.1Confident22 Ų2236.7 Ų36.714%0.13522%0.215CC..THydrogen-bonded Turntrans-109.9-8.6179.756.10000113.1E170 A174 L175 M184 V206E170-T172 PolarHBondContact O-N 3.39Å; T172-A174 PolarHBondContact O-N 2.72Å; T172-A174 VanDerWaalsContact O-N 3.1Å; T172-L175 PolarHBondContact O-N 2.89Å; T172-L175 VanDerWaalsContact O-N 3.08Å; T172-M184 HydrophobicContact CG2-CG 3.82Å; T172-M184 HydrophobicContact CG2-SD 4.25Å; T172-V206 VanDerWaalsContact OG1-CG2 3.25Å; T172-V206 WeakPolarHBondContact OG1-CG2 3.4Å
173G84Confident89.3Confident45 Ų4536.4 Ų36.446%0.46421%0.212SC..THydrogen-bonded Turntrans-68.7-14.7-167.900000115.5E170E170-G173 PolarHBondContact O-N 3.09Å
174A83.5Confident89.7Confident53 Ų5336.8 Ų36.844%0.43821%0.214SC..THydrogen-bonded Turntrans-111.611.7177.500000113.2Y95 T172Y95-A174 HydrophobicContact CE1-CB 4.42Å; Y95-A174 VanDerWaalsContact OH-CB 3.23Å; Y95-A174 WeakPolarHBondContact OH-CB 3.43Å; Y95-A174 PolarHBondContact OH-O 3.37Å; Y95-A174 VanDerWaalsContact OH-O 3.09Å; T172-A174 PolarHBondContact O-N 2.72Å; T172-A174 VanDerWaalsContact O-N 3.1Å
175L86.6Confident89.9Confident28 Ų2837.3 Ų37.315%0.14722%0.224CC..SBendtrans-116.1156.3-173.2-59.4-179.3000111.7Y95 G148 Q151 T172 V183Y95-L175 HydrophobicContact CE1-CD2 4.34Å; Y95-L175 WeakPolarHBondContact OH-CD2 3.28Å; G148-L175 VanDerWaalsContact N-CD2 3.26Å; Q151-L175 HydrophobicContact CB-CD1 4.18Å; Q151-L175 HydrophobicContact CB-CD2 4.37Å; Q151-L175 HydrophobicContact CG-CD1 4.09Å; T172-L175 PolarHBondContact O-N 2.89Å; T172-L175 VanDerWaalsContact O-N 3.08Å; L175-V183 HydrophobicContact CD1-CB 4.35Å; L175-V183 HydrophobicContact CD1-CG2 3.77Å
176D87.9Confident89.7Confident91 Ų9138.3 Ų38.349%0.48723%0.229SC..  trans-70165.2162.966.681.8000110.8H178 S179 G180D176-H178 VanDerWaalsContact C-N 3.32Å; D176-H178 PolarHBondContact O-N 3.02Å; D176-H178 WeakPolarHBondContact OD1-CB 3.33Å; D176-H178 PolarHBondContact OD1-N 2.98Å; D176-S179 PolarHBondContact O-N 3.02Å; D176-S179 PolarHBondContact OD1-N 3.46Å; D176-S179 PolarHBondContact OD1-OG 3.12Å; D176-S179 WeakPolarHBondContact OD2-CB 3.47Å; D176-S179 PolarHBondContact OD2-OG 3.31Å; D176-G180 PolarHBondContact O-N 3.27Å
177S86.5Confident89.6Confident98 Ų9838.3 Ų38.369%0.68523%0.229SC*.Hα-helixtrans-60.3-37.8-175.356.70000113.7G180 E181S177-G180 PolarHBondContact O-N 2.92Å; S177-E181 WeakPolarHBondContact O-CG 3.08Å; S177-E181 PolarHBondContact O-N 3.07Å
178H88.7Confident89.5Confident117 Ų11740.7 Ų40.754%0.54224%0.24SC..Hα-helixtrans-69-49.6179.9179.6-73.9000110.5D176 G180 E181 E182D176-H178 VanDerWaalsContact C-N 3.32Å; D176-H178 PolarHBondContact O-N 3.02Å; D176-H178 WeakPolarHBondContact OD1-CB 3.33Å; D176-H178 PolarHBondContact OD1-N 2.98Å; H178-G180 PolarHBondContact O-N 3.45Å; H178-E181 PolarHBondContact O-N 3.19Å; H178-E182 IonicContact CE1-OE1 2.73Å; H178-E182 PolarHBondContact CE1-OE1 2.71Å; H178-E182 IonicContact CE1-OE2 3.24Å; H178-E182 IonicContact ND1-OE1 3.68Å; H178-E182 IonicContact ND1-OE2 3.76Å; H178-E182 WeakPolarHBondContact O-CG 3.38Å; H178-E182 PolarHBondContact O-N 2.97Å; H178-E182 VanDerWaalsContact O-N 3.07Å
179S86.3Confident89.3Confident18 Ų1845.3 Ų45.313%0.12626%0.262CS..Hα-helixtrans-60-36.4175-63.30000111.9D176 V183D176-S179 PolarHBondContact O-N 3.02Å; D176-S179 PolarHBondContact OD1-N 3.46Å; D176-S179 PolarHBondContact OD1-OG 3.12Å; D176-S179 WeakPolarHBondContact OD2-CB 3.47Å; D176-S179 PolarHBondContact OD2-OG 3.31Å; S179-V183 WeakPolarHBondContact O-CG2 3.34Å; S179-V183 PolarHBondContact O-N 3.01Å; S179-V183 VanDerWaalsContact O-N 3.1Å
180G88Confident89.2Confident6 Ų644.3 Ų44.36%0.06226%0.256CS..Hα-helixtrans-66.5-45.2176.900000113.1D176 S177 H178 E182 V183 M184D176-G180 PolarHBondContact O-N 3.27Å; S177-G180 PolarHBondContact O-N 2.92Å; H178-G180 PolarHBondContact O-N 3.45Å; G180-E182 PolarHBondContact O-N 3.41Å; G180-V183 PolarHBondContact O-N 3.46Å; G180-M184 WeakPolarHBondContact O-CG 3.4Å; G180-M184 PolarHBondContact O-N 3.47Å
181E89.7Confident89.2Confident145 Ų14546 Ų4668%0.67826%0.262SS*.Hα-helixtrans-61.3-42.2174.8-78.7179.5-173.800111.9S177 H178 V183 M184 A185S177-E181 WeakPolarHBondContact O-CG 3.08Å; S177-E181 PolarHBondContact O-N 3.07Å; H178-E181 PolarHBondContact O-N 3.19Å; E181-V183 PolarHBondContact O-N 3.3Å; E181-M184 PolarHBondContact O-N 2.93Å; E181-A185 WeakPolarHBondContact O-CB 3.37Å; E181-A185 PolarHBondContact O-N 3.48Å
182E89.4Confident89.2Confident65 Ų6550.9 Ų50.930%0.30429%0.288SS..Hα-helixtrans-62.3-43.4176.2-70.6175.2133.600112.2R152 H178 G180 A185 I186R152-E182 IonicContact CZ-OE2 2.68Å; R152-E182 IonicContact NH2-OE1 3.24Å; R152-E182 PolarHBondContact NH2-OE1 3.2Å; R152-E182 IonicContact NH2-OE2 3.04Å; R152-E182 PolarHBondContact NH2-OE2 3.44Å; H178-E182 IonicContact CE1-OE1 2.73Å; H178-E182 PolarHBondContact CE1-OE1 2.71Å; H178-E182 IonicContact CE1-OE2 3.24Å; H178-E182 IonicContact ND1-OE1 3.68Å; H178-E182 IonicContact ND1-OE2 3.76Å; H178-E182 WeakPolarHBondContact O-CG 3.38Å; H178-E182 PolarHBondContact O-N 2.97Å; H178-E182 VanDerWaalsContact O-N 3.07Å; G180-E182 PolarHBondContact O-N 3.41Å; E182-A185 PolarHBondContact O-N 3.22Å; E182-I186 WeakPolarHBondContact O-CD1 3.41Å; E182-I186 VanDerWaalsContact O-CG1 3.29Å; E182-I186 WeakPolarHBondContact O-CG1 3.44Å; E182-I186 PolarHBondContact O-N 2.98Å
183V89.8Confident89Confident1 Ų154.3 Ų54.31%0.00630%0.299CS..Hα-helixtrans-63-43.6176.5165.20000110.9Q151 I155 P171 L175 S179 G180 E181 I186 L187Q151-V183 HydrophobicContact CB-CG2 4.38Å; Q151-V183 HydrophobicContact CG-CG1 4.23Å; Q151-V183 HydrophobicContact CG-CG2 3.89Å; I155-V183 HydrophobicContact CD1-CG1 4.05Å; I155-V183 HydrophobicContact CD1-CG2 4.25Å; P171-V183 HydrophobicContact CB-CG1 4.27Å; L175-V183 HydrophobicContact CD1-CB 4.35Å; L175-V183 HydrophobicContact CD1-CG2 3.77Å; S179-V183 WeakPolarHBondContact O-CG2 3.34Å; S179-V183 PolarHBondContact O-N 3.01Å; S179-V183 VanDerWaalsContact O-N 3.1Å; G180-V183 PolarHBondContact O-N 3.46Å; E181-V183 PolarHBondContact O-N 3.3Å; V183-I186 WeakPolarHBondContact O-CB 3.46Å; V183-I186 PolarHBondContact O-N 2.81Å; V183-L187 WeakPolarHBondContact O-CG 3.49Å; V183-L187 PolarHBondContact O-N 2.92Å
184M92.4Very high89.2Confident11 Ų1152.5 Ų52.55%0.05428%0.281CS..Hα-helixtrans-62.8-42.9175.6-75.5-56-51.700112M36 T172 G180 E181 I186 L187 H188 I199 V206 Q209M36-M184 HydrophobicContact CE-CE 3.58Å; T172-M184 HydrophobicContact CG2-CG 3.82Å; T172-M184 HydrophobicContact CG2-SD 4.25Å; G180-M184 WeakPolarHBondContact O-CG 3.4Å; G180-M184 PolarHBondContact O-N 3.47Å; E181-M184 PolarHBondContact O-N 2.93Å; M184-I186 VanDerWaalsContact C-N 3.26Å; M184-I186 PolarHBondContact O-N 3.37Å; M184-L187 PolarHBondContact O-N 3.01Å; M184-L187 VanDerWaalsContact O-N 3.08Å; M184-L187 HydrophobicContact SD-CD1 4.04Å; M184-H188 PolarHBondContact O-CD2 3.33Å; M184-H188 PolarHBondContact O-N 3.41Å; M184-I199 HydrophobicContact CE-CD1 3.68Å; M184-I199 HydrophobicContact SD-CD1 3.99Å; M184-V206 HydrophobicContact SD-CG1 4.1Å; M184-Q209 HydrophobicContact CE-CB 3.66Å; M184-Q209 HydrophobicContact CE-CG 4.2Å
185A92.1Very high89.5Confident46 Ų4650.5 Ų50.538%0.3826%0.262SS..Hα-helixtrans-58.7-38.4175.100000112E181 E182 H188 Q189E181-A185 WeakPolarHBondContact O-CB 3.37Å; E181-A185 PolarHBondContact O-N 3.48Å; E182-A185 PolarHBondContact O-N 3.22Å; A185-H188 PolarHBondContact O-N 2.95Å; A185-Q189 WeakPolarHBondContact O-CG 3.18Å; A185-Q189 PolarHBondContact O-N 3.03Å
186I91.4Very high89.9Confident23 Ų2349.2 Ų49.212%0.11826%0.255CS..Hα-helixtrans-64.9-42.9174.2-67.3157.7000111.3L132 R152 I155 E182 V183 M184 H188 Q189 L190L132-I186 HydrophobicContact CD2-CD1 3.69Å; L132-I186 HydrophobicContact CD2-CG1 4.13Å; L132-I186 HydrophobicContact CD2-CG2 3.84Å; R152-I186 HydrophobicContact CG-CD1 4.34Å; I155-I186 HydrophobicContact CD1-CD1 4.48Å; I155-I186 HydrophobicContact CD1-CG2 4.27Å; I155-I186 HydrophobicContact CG2-CG2 3.95Å; E182-I186 WeakPolarHBondContact O-CD1 3.41Å; E182-I186 VanDerWaalsContact O-CG1 3.29Å; E182-I186 WeakPolarHBondContact O-CG1 3.44Å; E182-I186 PolarHBondContact O-N 2.98Å; V183-I186 WeakPolarHBondContact O-CB 3.46Å; V183-I186 PolarHBondContact O-N 2.81Å; M184-I186 VanDerWaalsContact C-N 3.26Å; M184-I186 PolarHBondContact O-N 3.37Å; I186-H188 VanDerWaalsContact C-N 3.34Å; I186-H188 PolarHBondContact O-N 3.01Å; I186-Q189 PolarHBondContact O-N 3Å; I186-L190 HydrophobicContact CG2-CD1 4.17Å; I186-L190 PolarHBondContact O-N 2.61Å
187L92.4Very high90.3Very high0 Ų044.9 Ų44.90%023%0.232CC..Hα-helixtrans-63.6-38.4177.2-67.2-179.6000112.2I91 I166 P171 V183 M184 L190 R191 V197 I199I91-L187 HydrophobicContact CD1-CD2 3.99Å; I166-L187 HydrophobicContact CG2-CD2 4.42Å; P171-L187 HydrophobicContact CB-CD1 4.38Å; P171-L187 HydrophobicContact CG-CD1 4.23Å; V183-L187 WeakPolarHBondContact O-CG 3.49Å; V183-L187 PolarHBondContact O-N 2.92Å; M184-L187 PolarHBondContact O-N 3.01Å; M184-L187 VanDerWaalsContact O-N 3.08Å; M184-L187 HydrophobicContact SD-CD1 4.04Å; L187-L190 HydrophobicContact CD2-CD1 4.22Å; L187-L190 WeakPolarHBondContact O-CB 3.21Å; L187-L190 PolarHBondContact O-N 2.68Å; L187-R191 PolarHBondContact O-N 3.45Å; L187-V197 HydrophobicContact CB-CG1 4.39Å; L187-V197 HydrophobicContact CD2-CG1 4.21Å; L187-I199 HydrophobicContact CD1-CD1 3.82Å; L187-I199 HydrophobicContact CD1-CG1 4.21Å
188H92.3Very high90.7Very high50 Ų5040.2 Ų40.223%0.23120%0.2CC..Hα-helixtrans-60.9-47.1171.5-75.5-70.2000112M184 A185 I186 L190 R191 D192 Q209M184-H188 PolarHBondContact O-CD2 3.33Å; M184-H188 PolarHBondContact O-N 3.41Å; A185-H188 PolarHBondContact O-N 2.95Å; I186-H188 VanDerWaalsContact C-N 3.34Å; I186-H188 PolarHBondContact O-N 3.01Å; H188-L190 PolarHBondContact O-N 3.43Å; H188-R191 WeakPolarHBondContact O-CB 3.48Å; H188-R191 PolarHBondContact O-N 3.45Å; H188-R191 VanDerWaalsContact O-N 3.11Å; H188-D192 VanDerWaalsContact O-CG 3.27Å; H188-D192 PolarHBondContact O-N 3.29Å; H188-Q209 PolarHBondContact CE1-O 3.03Å
189Q91.2Very high91Very high98 Ų9834.7 Ų34.746%0.45817%0.174SC..Hα-helixtrans-62.4-31.2177-70.7177.117.200113.1A185 I186 R193A185-Q189 WeakPolarHBondContact O-CG 3.18Å; A185-Q189 PolarHBondContact O-N 3.03Å; I186-Q189 PolarHBondContact O-N 3Å; Q189-R193 WeakPolarHBondContact O-CG 3.3Å; Q189-R193 PolarHBondContact O-N 3.24Å
190L89.9Confident91.4Very high3 Ų333.9 Ų33.92%0.01617%0.168CC..Hα-helixtrans-67.4-48.2172.2-101.4143.9000110.6I155 L159 I166 I186 L187 H188 D192 R193 G194 H195 V197I155-L190 HydrophobicContact CG2-CD1 4.21Å; L159-L190 HydrophobicContact CD1-CD1 4.25Å; L159-L190 HydrophobicContact CD1-CD2 3.95Å; L159-L190 HydrophobicContact CD2-CD1 4.05Å; L159-L190 HydrophobicContact CD2-CD2 3.85Å; L159-L190 HydrophobicContact CD2-CG 3.87Å; I166-L190 HydrophobicContact CD1-CB 4.22Å; I166-L190 HydrophobicContact CD1-CD1 3.55Å; I166-L190 HydrophobicContact CD1-CG 3.68Å; I186-L190 HydrophobicContact CG2-CD1 4.17Å; I186-L190 PolarHBondContact O-N 2.61Å; L187-L190 HydrophobicContact CD2-CD1 4.22Å; L187-L190 WeakPolarHBondContact O-CB 3.21Å; L187-L190 PolarHBondContact O-N 2.68Å; H188-L190 PolarHBondContact O-N 3.43Å; L190-D192 VanDerWaalsContact C-N 3.27Å; L190-D192 PolarHBondContact O-N 2.83Å; L190-R193 WeakPolarHBondContact O-CA 3.41Å; L190-R193 WeakPolarHBondContact O-CB 3.46Å; L190-R193 PolarHBondContact O-N 3.02Å; L190-G194 PolarHBondContact O-N 3.24Å; L190-H195 HydrophobicContact CB-CB 4.31Å; L190-H195 WeakPolarHBondContact O-CB 3.45Å; L190-H195 PolarHBondContact O-CD2 2.94Å; L190-H195 PolarHBondContact O-N 3.04Å; L190-H195 VanDerWaalsContact O-N 3.16Å; L190-V197 HydrophobicContact CB-CG2 4.42Å
191R90.9Very high91.7Very high43 Ų4333.6 Ų33.616%0.16217%0.165CC..Hα-helixtrans-57-42.5174169.5-93.2-164.3-174.510.6111.8M36 L187 H188 R193 G194 H195 V197 E211M36-R191 HydrophobicContact CB-CB 4.25Å; M36-R191 HydrophobicContact CB-CG 3.85Å; M36-R191 HydrophobicContact SD-CB 4.44Å; L187-R191 PolarHBondContact O-N 3.45Å; H188-R191 WeakPolarHBondContact O-CB 3.48Å; H188-R191 PolarHBondContact O-N 3.45Å; H188-R191 VanDerWaalsContact O-N 3.11Å; R191-R193 PolarHBondContact O-N 2.92Å; R191-G194 WeakPolarHBondContact O-CA 3.48Å; R191-G194 PolarHBondContact O-N 3.44Å; R191-H195 WeakPolarHBondContact CA-O 3.27Å; R191-V197 HydrophobicContact CB-CG2 4.25Å; R191-E211 IonicContact CZ-OE2 2.95Å; R191-E211 IonicContact NE-OE2 2.74Å; R191-E211 PolarHBondContact NE-OE2 3.12Å; R191-E211 IonicContact NH2-OE2 3.68Å; R191-E211 PolarHBondContact NH2-OE2 3.18Å
192D89.2Confident91.7Very high105 Ų10532 Ų3256%0.56116%0.157SC*.Hα-helixtrans-65-21.2178.5-65.9-21.8000113.1H188 L190 G194H188-D192 VanDerWaalsContact O-CG 3.27Å; H188-D192 PolarHBondContact O-N 3.29Å; L190-D192 VanDerWaalsContact C-N 3.27Å; L190-D192 PolarHBondContact O-N 2.83Å; D192-G194 VanDerWaalsContact C-N 3.29Å
193R87Confident91.7Very high94 Ų9431.4 Ų31.436%0.35516%0.157SC..THydrogen-bonded Turntrans-84.91.8170.5-72.5-175.6-177.8103.37.7113.9Q189 L190 R191Q189-R193 WeakPolarHBondContact O-CG 3.3Å; Q189-R193 PolarHBondContact O-N 3.24Å; L190-R193 WeakPolarHBondContact O-CA 3.41Å; L190-R193 WeakPolarHBondContact O-CB 3.46Å; L190-R193 PolarHBondContact O-N 3.02Å; R191-R193 PolarHBondContact O-N 2.92Å
194G87.6Confident91.7Very high8 Ų835.8 Ų35.88%0.08219%0.185CC..THydrogen-bonded Turntrans90.58.2178.900000114.6L190 R191 D192L190-G194 PolarHBondContact O-N 3.24Å; R191-G194 WeakPolarHBondContact O-CA 3.48Å; R191-G194 PolarHBondContact O-N 3.44Å; D192-G194 VanDerWaalsContact C-N 3.29Å
195H91.3Very high91.5Very high11 Ų1142.5 Ų42.55%0.05122%0.216CC..  trans-69.8138.2171.5-63.1-81.2000109.8G162 G163 I166 L190 R191G162-H195 PolarHBondContact O-CE1 3.05Å; G162-H195 PolarHBondContact O-ND1 3.13Å; G163-H195 PolarHBondContact O-ND1 3.4Å; I166-H195 HydrophobicContact CD1-CB 4.29Å; L190-H195 HydrophobicContact CB-CB 4.31Å; L190-H195 WeakPolarHBondContact O-CB 3.45Å; L190-H195 PolarHBondContact O-CD2 2.94Å; L190-H195 PolarHBondContact O-N 3.04Å; L190-H195 VanDerWaalsContact O-N 3.16Å; R191-H195 WeakPolarHBondContact CA-O 3.27Å
196T94Very high91.4Very high1 Ų140.9 Ų40.91%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-80.8123.5170.9-45.60000107.6L4 I31 A33 G34 E35 Q164 V165 I166L4-T196 WeakPolarHBondContact CD2-OG1 3.11Å; I31-T196 HydrophobicContact CG2-CG2 3.84Å; A33-T196 WeakPolarHBondContact CA-OG1 3.25Å; G34-T196 PolarHBondContact N-OG1 2.98Å; E35-T196 CarbonylContact O-C 3.45Å; E35-T196 WeakPolarHBondContact O-CA 3.46Å; Q164-T196 WeakPolarHBondContact O-CB 3.46Å; Q164-T196 PolarHBondContact O-N 2.79Å; Q164-T196 PolarHBondContact O-OG1 3.48Å; V165-T196 CarbonylContact C-O 3.57Å; V165-T196 VanDerWaalsContact CA-O 3.31Å; V165-T196 WeakPolarHBondContact CA-O 3.45Å; I166-T196 PolarHBondContact N-O 3.44Å
197V95.4Very high91.4Very high0 Ų039.9 Ų39.90%020%0.197CC..EExtended strand (participates in β ladder)trans-118.4122.8-177-175.90000108.9E35 M36 V37 I166 L187 L190 R191 I199E35-V197 PolarHBondContact O-N 3.23Å; M36-V197 CarbonylContact C-O 3.53Å; M36-V197 VanDerWaalsContact CA-O 3.28Å; M36-V197 WeakPolarHBondContact CA-O 3.28Å; M36-V197 HydrophobicContact CG-CB 4.37Å; V37-V197 PolarHBondContact N-O 3.15Å; I166-V197 HydrophobicContact CB-CG2 4.45Å; L187-V197 HydrophobicContact CB-CG1 4.39Å; L187-V197 HydrophobicContact CD2-CG1 4.21Å; L190-V197 HydrophobicContact CB-CG2 4.42Å; R191-V197 HydrophobicContact CB-CG2 4.25Å; V197-I199 HydrophobicContact CG1-CD1 4.4Å; V197-I199 HydrophobicContact CG1-CG1 3.99Å
198I95.8Very high91.3Very high0 Ų043.6 Ų43.60%023%0.227CC..EExtended strand (participates in β ladder)trans-118.8111.3176.9-53.2172.9000108.1L5 I31 V37 I39 L54 V165 I166 L167 A168L5-I198 HydrophobicContact CD1-CD1 3.72Å; I31-I198 HydrophobicContact CD1-CD1 3.49Å; I31-I198 VanDerWaalsContact CD1-CD1 3.49Å; I31-I198 HydrophobicContact CD1-CG1 4.24Å; I31-I198 HydrophobicContact CG2-CD1 4.49Å; V37-I198 HydrophobicContact CB-CG1 4.41Å; V37-I198 CarbonylContact O-C 3.54Å; V37-I198 VanDerWaalsContact O-CA 3.3Å; V37-I198 WeakPolarHBondContact O-CA 3.37Å; I39-I198 HydrophobicContact CD1-CG2 3.76Å; I39-I198 HydrophobicContact CG1-CG2 4.12Å; L54-I198 HydrophobicContact CD1-CD1 4.35Å; L54-I198 HydrophobicContact CD1-CG2 4.37Å; V165-I198 HydrophobicContact CG1-CD1 4.17Å; I166-I198 PolarHBondContact O-N 2.97Å; L167-I198 HydrophobicContact CD2-CB 3.74Å; L167-I198 HydrophobicContact CD2-CD1 3.76Å; L167-I198 HydrophobicContact CD2-CG1 4.15Å; L167-I198 HydrophobicContact CD2-CG2 4.34Å; A168-I198 PolarHBondContact N-O 2.92Å
199I95.4Very high91.2Very high1 Ų146.1 Ų46.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-100126.2179.9-57.7175000108.3M36 V37 A38 I39 A168 P171 M184 L187 V197 V206M36-I199 HydrophobicContact CE-CD1 3.62Å; V37-I199 PolarHBondContact O-N 3.35Å; A38-I199 CarbonylContact C-O 3.5Å; A38-I199 VanDerWaalsContact CA-O 3.25Å; A38-I199 WeakPolarHBondContact CA-O 3.42Å; I39-I199 PolarHBondContact N-O 2.93Å; A168-I199 HydrophobicContact CB-CG1 4.34Å; A168-I199 CarbonylContact O-C 3.54Å; A168-I199 WeakPolarHBondContact O-CA 3.32Å; P171-I199 HydrophobicContact CG-CG2 3.79Å; M184-I199 HydrophobicContact CE-CD1 3.68Å; M184-I199 HydrophobicContact SD-CD1 3.99Å; L187-I199 HydrophobicContact CD1-CD1 3.82Å; L187-I199 HydrophobicContact CD1-CG1 4.21Å; V197-I199 HydrophobicContact CG1-CD1 4.4Å; V197-I199 HydrophobicContact CG1-CG1 3.99Å; I199-V206 HydrophobicContact CG2-CG1 4.27Å
200V94.5Very high91.2Very high0 Ų041.8 Ų41.80%022%0.22CC..EExtended strand (participates in β ladder)trans-100.6122.3170.9-1790000107.3I39 K47 M51 A168 E170I39-V200 HydrophobicContact CB-CG2 4.36Å; K47-V200 HydrophobicContact CB-CG1 3.81Å; K47-V200 HydrophobicContact CD-CG1 3.69Å; K47-V200 HydrophobicContact CG-CG1 3.7Å; M51-V200 HydrophobicContact CB-CG2 3.92Å; M51-V200 HydrophobicContact CG-CG2 3.9Å; M51-V200 HydrophobicContact SD-CB 4.37Å; M51-V200 HydrophobicContact SD-CG2 3.84Å; A168-V200 PolarHBondContact O-N 3.18Å; E170-V200 WeakPolarHBondContact CA-O 3.38Å; E170-V200 PolarHBondContact N-O 3.49Å
201T93.2Very high91.1Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-148153.4179.5-169.50000113.5I39 V40 G41 E170 D203 V206 A207I39-T201 PolarHBondContact O-N 2.87Å; V40-T201 VanDerWaalsContact CA-O 3.25Å; V40-T201 WeakPolarHBondContact CA-O 2.93Å; G41-T201 PolarHBondContact N-O 2.82Å; E170-T201 VanDerWaalsContact CD-CA 3.44Å; E170-T201 VanDerWaalsContact OE1-C 3.31Å; E170-T201 VanDerWaalsContact OE1-CA 3.28Å; E170-T201 WeakPolarHBondContact OE1-CA 3.32Å; E170-T201 VanDerWaalsContact OE2-CA 3.32Å; E170-T201 WeakPolarHBondContact OE2-CA 3.39Å; E170-T201 WeakPolarHBondContact OE2-CB 3.46Å; E170-T201 PolarHBondContact OE2-OG1 3.36Å; T201-D203 WeakPolarHBondContact CG2-O 3.23Å; T201-D203 PolarHBondContact OG1-N 3.43Å; T201-V206 HydrophobicContact CG2-CB 4.1Å; T201-V206 HydrophobicContact CG2-CG1 4.11Å; T201-A207 HydrophobicContact CG2-CB 3.88Å
202H91Very high91.3Very high111 Ų11142 Ų4251%0.51422%0.222SC..SBendtrans-96.3-9.2165.867.1-74.9000112.4E170 P204E170-H202 IonicContact OE1-CE1 3.43Å; E170-H202 IonicContact OE1-CG 2.73Å; E170-H202 PolarHBondContact OE1-N 2.92Å; E170-H202 IonicContact OE1-ND1 3.22Å; E170-H202 PolarHBondContact OE1-ND1 3.23Å; E170-H202 IonicContact OE2-CE1 3.02Å; E170-H202 PolarHBondContact OE2-N 3.4Å; E170-H202 IonicContact OE2-ND1 3.77Å; E170-H202 PolarHBondContact OE2-ND1 3.07Å; H202-P204 WeakPolarHBondContact O-CD 3.4Å
203D89.8Confident91.5Very high54 Ų5438.9 Ų38.929%0.28921%0.206SC..  trans-88.6113.8-179.5-174.2-6.4000110.9T201 Q205 V206 A207T201-D203 WeakPolarHBondContact CG2-O 3.23Å; T201-D203 PolarHBondContact OG1-N 3.43Å; D203-Q205 PolarHBondContact O-N 3.34Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.47Å; D203-Q205 PolarHBondContact OD1-N 2.9Å; D203-V206 HydrophobicContact CB-CB 4.19Å; D203-V206 HydrophobicContact CB-CG2 3.9Å; D203-V206 PolarHBondContact O-N 2.96Å; D203-A207 PolarHBondContact O-N 3.09Å
204P88.8Confident91.8Very high92 Ų9234.5 Ų34.560%0.59719%0.19SC*.Hα-helixtrans-62-25.4176.626.8-34.9000113.3H202 A207 A208H202-P204 WeakPolarHBondContact O-CD 3.4Å; P204-A207 PolarHBondContact O-N 3.19Å; P204-A208 WeakPolarHBondContact O-CB 3.38Å; P204-A208 PolarHBondContact O-N 2.89Å
205Q88.4Confident92.2Very high152 Ų15237.8 Ų37.871%0.7120%0.203SC*.Hα-helixtrans-69.5-40.5177.1-62-168.4-10.200111.6D203D203-Q205 PolarHBondContact O-N 3.34Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.47Å; D203-Q205 PolarHBondContact OD1-N 2.9Å
206V90.9Very high92.3Very high13 Ų1337.3 Ų37.38%0.07920%0.201CC..Hα-helixtrans-68.6-42.4174178.30000110T172 M184 I199 T201 D203 A208 Q209T172-V206 VanDerWaalsContact OG1-CG2 3.25Å; T172-V206 WeakPolarHBondContact OG1-CG2 3.4Å; M184-V206 HydrophobicContact SD-CG1 4.1Å; I199-V206 HydrophobicContact CG2-CG1 4.27Å; T201-V206 HydrophobicContact CG2-CB 4.1Å; T201-V206 HydrophobicContact CG2-CG1 4.11Å; D203-V206 HydrophobicContact CB-CB 4.19Å; D203-V206 HydrophobicContact CB-CG2 3.9Å; D203-V206 PolarHBondContact O-N 2.96Å; V206-A208 VanDerWaalsContact C-N 3.29Å; V206-A208 PolarHBondContact O-N 3.32Å; V206-Q209 WeakPolarHBondContact O-CB 3.47Å; V206-Q209 PolarHBondContact O-N 3.1Å
207A90.9Very high92.3Very high2 Ų244.8 Ų44.82%0.01723%0.229CC..Hα-helixtrans-62.3-35.2177.700000112.8A38 V40 T201 D203 P204 Q209 A210 V213A38-A207 HydrophobicContact CB-CB 3.9Å; V40-A207 HydrophobicContact CB-CB 4.13Å; V40-A207 HydrophobicContact CG2-CB 4.27Å; T201-A207 HydrophobicContact CG2-CB 3.88Å; D203-A207 PolarHBondContact O-N 3.09Å; P204-A207 PolarHBondContact O-N 3.19Å; A207-Q209 PolarHBondContact O-N 3.2Å; A207-Q209 VanDerWaalsContact O-N 3.16Å; A207-A210 WeakPolarHBondContact O-CB 3.35Å; A207-A210 PolarHBondContact O-N 3.32Å; A207-V213 HydrophobicContact CB-CG1 4.12Å; A207-V213 VanDerWaalsContact O-CG2 3.22Å; A207-V213 WeakPolarHBondContact O-CG2 3.31Å
208A89.5Confident92.1Very high77 Ų7749.7 Ų49.764%0.63626%0.255SS*.THydrogen-bonded Turntrans-63.8-17.5179.100000114.1P204 V206 A210P204-A208 WeakPolarHBondContact O-CB 3.38Å; P204-A208 PolarHBondContact O-N 2.89Å; V206-A208 VanDerWaalsContact C-N 3.29Å; V206-A208 PolarHBondContact O-N 3.32Å; A208-A210 VanDerWaalsContact C-N 3.31Å
209Q90.4Very high91.9Very high104 Ų10449.8 Ų49.849%0.48626%0.256SS..THydrogen-bonded Turntrans-75.8-18.7173.6-60.6-71.6-3.800112.1M184 H188 V206 A207M184-Q209 HydrophobicContact CE-CB 3.66Å; M184-Q209 HydrophobicContact CE-CG 4.2Å; H188-Q209 PolarHBondContact CE1-O 3.03Å; V206-Q209 WeakPolarHBondContact O-CB 3.47Å; V206-Q209 PolarHBondContact O-N 3.1Å; A207-Q209 PolarHBondContact O-N 3.2Å; A207-Q209 VanDerWaalsContact O-N 3.16Å
210A90.8Very high91.8Very high6 Ų654.6 Ų54.65%0.0528%0.278CS..SBendtrans-82.7147178.600000112.3M36 A38 A207 A208 R212M36-A210 HydrophobicContact CG-CB 4.18Å; A38-A210 HydrophobicContact CB-CB 3.44Å; A38-A210 VanDerWaalsContact CB-CB 3.44Å; A207-A210 WeakPolarHBondContact O-CB 3.35Å; A207-A210 PolarHBondContact O-N 3.32Å; A208-A210 VanDerWaalsContact C-N 3.31Å; A210-R212 VanDerWaalsContact C-N 3.25Å; A210-R212 PolarHBondContact O-N 3.38Å
211E89.3Confident91.8Very high24 Ų2456.7 Ų56.711%0.11229%0.289CS..SBendtrans-71.1-21.5177.657.5179.3-155.600113.1E35 M36 R191 A227 I228E35-E211 WeakPolarHBondContact CA-OE1 3.48Å; M36-E211 HydrophobicContact CB-CG 4.03Å; M36-E211 PolarHBondContact N-OE1 2.7Å; M36-E211 WeakPolarHBondContact O-CG 3.37Å; M36-E211 PolarHBondContact O-N 3.41Å; R191-E211 IonicContact CZ-OE2 2.95Å; R191-E211 IonicContact NE-OE2 2.74Å; R191-E211 PolarHBondContact NE-OE2 3.12Å; R191-E211 IonicContact NH2-OE2 3.68Å; R191-E211 PolarHBondContact NH2-OE2 3.18Å; E211-A227 WeakPolarHBondContact O-CA 3.39Å; E211-I228 PolarHBondContact O-N 3.23Å; E211-I228 VanDerWaalsContact O-N 3.07Å
212R93.3Very high91.7Very high28 Ų2861.1 Ų61.111%0.10632%0.316CS..EExtended strand (participates in β ladder)trans-136.7114.3179.4-173.7177.2-179.2-170.6-2.6110.4D30 E35 M36 V37 A38 A210 I214 N224 A227D30-R212 PolarHBondContact O-NH1 3.44Å; E35-R212 IonicContact OE1-NH1 3.58Å; E35-R212 IonicContact OE2-NH1 3.3Å; E35-R212 PolarHBondContact OE2-NH1 3.24Å; M36-R212 PolarHBondContact O-N 3.34Å; V37-R212 CarbonylContact C-O 3.58Å; V37-R212 WeakPolarHBondContact CA-O 3.27Å; V37-R212 HydrophobicContact CG2-CB 4.43Å; A38-R212 PolarHBondContact N-O 3.47Å; A210-R212 VanDerWaalsContact C-N 3.25Å; A210-R212 PolarHBondContact O-N 3.38Å; R212-I214 HydrophobicContact CG-CG1 4.43Å; R212-N224 PolarHBondContact NE-OD1 3.01Å; R212-N224 PolarHBondContact NH2-ND2 3.15Å; R212-N224 VanDerWaalsContact NH2-ND2 3.1Å; R212-N224 PolarHBondContact NH2-OD1 3.39Å; R212-A227 HydrophobicContact CB-CB 4.2Å
213V93.7Very high91.7Very high39 Ų3962.9 Ų62.924%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-107.1112.5-178.8-175.90000110.5A38 V40 A207 P225A38-V213 HydrophobicContact CB-CG2 4.41Å; A38-V213 CarbonylContact O-C 3.54Å; A38-V213 WeakPolarHBondContact O-CA 3.38Å; V40-V213 HydrophobicContact CB-CG1 4.34Å; V40-V213 HydrophobicContact CG1-CG1 3.6Å; A207-V213 HydrophobicContact CB-CG1 4.12Å; A207-V213 VanDerWaalsContact O-CG2 3.22Å; A207-V213 WeakPolarHBondContact O-CG2 3.31Å; V213-P225 WeakPolarHBondContact O-CD 3.35Å; V213-P225 WeakPolarHBondContact O-CG 3.29Å
214I94Very high91.7Very high1 Ų163.1 Ų63.11%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-101.3120179.3-56.8177.2000108.8L29 V37 A38 I39 V40 R212 I221 R223L29-I214 HydrophobicContact CD1-CD1 3.44Å; L29-I214 VanDerWaalsContact CD1-CD1 3.44Å; L29-I214 HydrophobicContact CD2-CD1 3.7Å; L29-I214 HydrophobicContact CG-CD1 4.21Å; V37-I214 HydrophobicContact CG1-CD1 3.41Å; V37-I214 VanDerWaalsContact CG1-CD1 3.41Å; V37-I214 HydrophobicContact CG1-CG1 3.89Å; A38-I214 PolarHBondContact O-N 3.28Å; I39-I214 CarbonylContact C-O 3.5Å; I39-I214 WeakPolarHBondContact CA-O 3.42Å; V40-I214 PolarHBondContact N-O 2.91Å; R212-I214 HydrophobicContact CG-CG1 4.43Å; I214-I221 HydrophobicContact CG2-CD1 3.88Å; I214-I221 HydrophobicContact CG2-CG1 4.09Å; I214-I221 HydrophobicContact CG2-CG2 3.72Å; I214-R223 CarbonylContact C-O 3.57Å; I214-R223 WeakPolarHBondContact CA-O 3.41Å
215E95.2Very high91.5Very high77 Ų7760.5 Ų60.536%0.3630%0.302SS..EExtended strand (participates in β ladder)trans-96.5122.7179.1-167.9176.3170.400110.8V40 I221 V222 R223V40-E215 HydrophobicContact CG1-CB 4Å; V40-E215 HydrophobicContact CG1-CG 4.14Å; V40-E215 CarbonylContact O-C 3.59Å; V40-E215 WeakPolarHBondContact O-CA 3.4Å; E215-I221 CarbonylContact O-C 3.25Å; E215-I221 WeakPolarHBondContact O-CA 3.49Å; E215-V222 PolarHBondContact O-N 3.39Å; E215-R223 HydrophobicContact CB-CB 3.81Å; E215-R223 PolarHBondContact N-O 3.37Å; E215-R223 PolarHBondContact O-N 2.71Å
216I94.2Very high90.8Very high2 Ų258.6 Ų58.61%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-111.6131.1176.2-170177.6000110.9L24 I27 I39 V40 G41 K47 L50 E220L24-I216 HydrophobicContact CD2-CD1 4.13Å; I27-I216 HydrophobicContact CD1-CD1 3.74Å; I39-I216 HydrophobicContact CG2-CG2 3.91Å; V40-I216 PolarHBondContact O-N 2.83Å; G41-I216 WeakPolarHBondContact CA-O 3.42Å; K47-I216 HydrophobicContact CB-CG2 3.81Å; L50-I216 HydrophobicContact CD2-CD1 4.18Å; I216-E220 WeakPolarHBondContact CA-O 3.41Å; I216-E220 WeakPolarHBondContact CG1-O 3.32Å
217R93.6Very high89.7Confident157 Ų15759.3 Ų59.359%0.59231%0.31SS*.EExtended strand (participates in β ladder)trans-142.5135.4178.7-174.3-177.9170.4165.22.6109.8G219 E220 V222R217-G219 PolarHBondContact O-N 3.02Å; R217-E220 PolarHBondContact N-O 3.06Å; R217-E220 PolarHBondContact O-N 3.27Å; R217-E220 VanDerWaalsContact O-O 3.12Å; R217-V222 HydrophobicContact CB-CG2 3.63Å
218D91.9Very high88.4Confident104 Ų10466.3 Ų66.356%0.55635%0.346SS*.THydrogen-bonded Turntrans50.433.6175.2-56.4-39.3000114.3K25K25-D218 WeakPolarHBondContact CD-O 3.33Å; K25-D218 VanDerWaalsContact CE-O 3.25Å; K25-D218 WeakPolarHBondContact CE-O 3.14Å; K25-D218 PolarHBondContact NZ-O 2.84Å
219G90.9Very high87Confident1 Ų169 Ų691%0.0135%0.345CS..THydrogen-bonded Turntrans86.52.2-179.800000116.1V23 K25 S45 R217V23-G219 WeakPolarHBondContact O-CA 3.5Å; K25-G219 PolarHBondContact N-O 3.05Å; S45-G219 PolarHBondContact O-N 2.78Å; S45-G219 VanDerWaalsContact O-N 3.16Å; R217-G219 PolarHBondContact O-N 3.02Å
220E93.9Very high85.2Confident102 Ų10273.7 Ų73.748%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-123.3149.7-177.2-64.8178.1-168.300111.9K25 I216 R217 V222K25-E220 HydrophobicContact CB-CG 3.75Å; K25-E220 HydrophobicContact CD-CG 4.22Å; I216-E220 WeakPolarHBondContact CA-O 3.41Å; I216-E220 WeakPolarHBondContact CG1-O 3.32Å; R217-E220 PolarHBondContact N-O 3.06Å; R217-E220 PolarHBondContact O-N 3.27Å; R217-E220 VanDerWaalsContact O-O 3.12Å; E220-V222 PolarHBondContact O-N 3.5Å
221I93Very high83.4Confident44 Ų4476.5 Ų76.523%0.22638%0.38CS..EExtended strand (participates in β ladder)trans-79.9112.1170.9-64.2-179.1000108.5I27 L29 I214 E215 N224I27-I221 HydrophobicContact CG1-CG1 4.46Å; I27-I221 HydrophobicContact CG2-CD1 3.46Å; I27-I221 VanDerWaalsContact CG2-CD1 3.46Å; I27-I221 HydrophobicContact CG2-CG1 3.9Å; L29-I221 HydrophobicContact CB-CD1 4.17Å; L29-I221 HydrophobicContact CD1-CD1 4.47Å; L29-I221 HydrophobicContact CD2-CD1 4.4Å; I214-I221 HydrophobicContact CG2-CD1 3.88Å; I214-I221 HydrophobicContact CG2-CG1 4.09Å; I214-I221 HydrophobicContact CG2-CG2 3.72Å; E215-I221 CarbonylContact O-C 3.25Å; E215-I221 WeakPolarHBondContact O-CA 3.49Å; I221-N224 HydrophobicContact CG2-CB 3.95Å
222V92.9Very high81.6Confident93 Ų9382.8 Ų82.856%0.56442%0.415SS*.EExtended strand (participates in β ladder)trans-85.9-311791790000111.4E215 R217 E220E215-V222 PolarHBondContact O-N 3.39Å; R217-V222 HydrophobicContact CB-CG2 3.63Å; E220-V222 PolarHBondContact O-N 3.5Å
223R91.1Very high79.6Confident149 Ų14984.7 Ų84.756%0.56243%0.429SS*.EExtended strand (participates in β ladder)trans-143.9127.2-177.4-164.4-174.2169-163.4-4.7110.9I214 E215I214-R223 CarbonylContact C-O 3.57Å; I214-R223 WeakPolarHBondContact CA-O 3.41Å; E215-R223 HydrophobicContact CB-CB 3.81Å; E215-R223 PolarHBondContact N-O 3.37Å; E215-R223 PolarHBondContact O-N 2.71Å
224N89.5Confident77.1Confident59 Ų5987.9 Ų87.932%0.31646%0.46SS..  trans-139.578174.1-173.6-1.8000109L29 R212 I221L29-N224 VanDerWaalsContact CD1-ND2 3.3Å; L29-N224 WeakPolarHBondContact CD1-ND2 3.34Å; R212-N224 PolarHBondContact NE-OD1 3.01Å; R212-N224 PolarHBondContact NH2-ND2 3.15Å; R212-N224 VanDerWaalsContact NH2-ND2 3.1Å; R212-N224 PolarHBondContact NH2-OD1 3.39Å; I221-N224 HydrophobicContact CG2-CB 3.95Å
225P83.1Confident74.6Confident36 Ų3689.7 Ų89.723%0.23448%0.479CS..PPolyproline II helixtrans-67.6148.7177.630.8-27.6000109.7V213V213-P225 WeakPolarHBondContact O-CD 3.35Å; V213-P225 WeakPolarHBondContact O-CG 3.29Å
226P73.6Confident71.9Confident113 Ų11389.7 Ų89.773%0.73450%0.499SS*.PPolyproline II helixtrans-56.2149.1169.3-20.331.4000110.8I228P226-I228 PolarHBondContact O-N 2.93Å
227A69.8Low69.7Low27 Ų2793 Ų9322%0.22352%0.52CS..PPolyproline II helixtrans-56.3137.8174.400000110.8E211 R212 E229E211-A227 WeakPolarHBondContact O-CA 3.39Å; R212-A227 HydrophobicContact CB-CB 4.2Å; A227-E229 PolarHBondContact O-N 3.49Å
228I63.1Low67.6Low149 Ų14989.8 Ų89.876%0.76451%0.511SS*.SBendtrans-66.6-24-174.7-61.2171.3000111.3E211 P226E211-I228 PolarHBondContact O-N 3.23Å; E211-I228 VanDerWaalsContact O-N 3.07Å; P226-I228 PolarHBondContact O-N 2.93Å
229E59.2Low65.4Low133 Ų13390.1 Ų90.162%0.62152%0.519SS*.SBendtrans-136.8136.1173-78.2-176.8144.600111.4A227 V231A227-E229 PolarHBondContact O-N 3.49Å; E229-V231 PolarHBondContact O-N 3.29Å
230K52.5Low63.6Low203 Ų20392.9 Ų92.988%0.88354%0.536SS*.  trans-85.4100.2168-72.4-174.5179.3-178.70108.8N232K230-N232 PolarHBondContact O-N 3.47Å
231V54Low61.8Low65 Ų6589.1 Ų89.139%0.39452%0.52SS..  trans-75.3117.1171.3-175.10000109.3E229 V233E229-V231 PolarHBondContact O-N 3.29Å; V231-V233 HydrophobicContact CG1-CG2 4.41Å; V231-V233 PolarHBondContact O-N 2.98Å; V231-V233 VanDerWaalsContact O-N 3.16Å
232N50.3Low59.8Low156 Ų15694.2 Ų94.283%0.83455%0.548SS*.  trans-74.299.5163.1-79.7-27.3000108K230 A234K230-N232 PolarHBondContact O-N 3.47Å; N232-A234 PolarHBondContact O-N 3.45Å
233V52.3Low58Low68 Ų6893.1 Ų93.141%0.41254%0.541SS..  trans-67.1103176.4-174.70000109V231V231-V233 HydrophobicContact CG1-CG2 4.41Å; V231-V233 PolarHBondContact O-N 2.98Å; V231-V233 VanDerWaalsContact O-N 3.16Å
234A41.3Very low56.2Low107 Ų10788.5 Ų88.588%0.88453%0.529SS*.  trans-102.58.9170.500000112.7N232N232-A234 PolarHBondContact O-N 3.45Å
235G40.7Very low54.4Low39 Ų3989.7 Ų89.740%0.40254%0.542SS..SBendtrans-96.7118.8-178.800000111.7T237G235-T237 PolarHBondContact O-N 2.94Å
236G39.7Very low53.5Low76 Ų7690.5 Ų90.578%0.78456%0.557SS**PPolyproline II helixtrans-63.3118.5172.600000110.4E238G236-E238 PolarHBondContact O-N 2.9Å
237T46.4Very low53.1Low72 Ų7295.6 Ų95.644%0.44256%0.562SS.*PPolyproline II helixtrans-52.5135.4165.239.20000109.2G235G235-T237 PolarHBondContact O-N 2.94Å
238E50.8Low53Low89 Ų89103.1 Ų103.142%0.41658%0.584SS.*PPolyproline II helixtrans-49.3136.4172.3-73.1-176.1-179.400109.6R124 G236 V240R124-E238 IonicContact CZ-OE2 3.18Å; R124-E238 IonicContact NH2-OE2 2.78Å; R124-E238 PolarHBondContact NH2-OE2 3.44Å; G236-E238 PolarHBondContact O-N 2.9Å; E238-V240 PolarHBondContact O-N 2.85Å
239P46Very low53.3Low112 Ų11297.3 Ų97.373%0.72755%0.554SS**PPolyproline II helixtrans-56.5130.8-173.921.6-31.8000110.2V241P239-V241 PolarHBondContact O-N 3.07Å
240V53.3Low53.8Low58 Ų5896.3 Ų96.335%0.35255%0.547SS..PPolyproline II helixtrans-51.5128.5171.3-1740000107.8E86 E238 N242E86-V240 HydrophobicContact CB-CG1 4.26Å; E86-V240 HydrophobicContact CG-CG1 4.14Å; E238-V240 PolarHBondContact O-N 2.85Å; V240-N242 PolarHBondContact O-N 3.3Å
241V54.5Low54.9Low23 Ų2390.8 Ų90.814%0.13953%0.531CS..  trans-61.2113.2-179.3-179.10000108.2L116 P239 T243L116-V241 HydrophobicContact CB-CG1 4.25Å; L116-V241 HydrophobicContact CD1-CG1 3.86Å; L116-V241 HydrophobicContact CD2-CG1 4.15Å; L116-V241 HydrophobicContact CG-CG1 4.33Å; P239-V241 PolarHBondContact O-N 3.07Å; V241-T243 PolarHBondContact O-N 3.32Å
242N51.4Low55.8Low152 Ų15289.7 Ų89.781%0.81353%0.526SS*.  trans-59.2113176.4-78.1-30.6000109.6V240V240-N242 PolarHBondContact O-N 3.3Å
243T54.8Low57Low69 Ų6983 Ų8342%0.42349%0.494SS..PPolyproline II helixtrans-67.6136.1178.456.40000110.9V241V241-T243 PolarHBondContact O-N 3.32Å
244V53.7Low58.3Low53 Ų5384 Ų8432%0.32149%0.493SS..PPolyproline II helixtrans-82.2149.3179.5-167.90000110.9G115 R248G115-V244 WeakPolarHBondContact O-CG2 3.48Å; V244-R248 HydrophobicContact CG1-CB 4.25Å
245S53Low60.3Low84 Ų8483.3 Ų83.359%0.58748%0.475SS*.PPolyproline II helixtrans-61.3148.1-176.564.50000115W247 R248 Q249S245-W247 PolarHBondContact O-N 2.88Å; S245-W247 VanDerWaalsContact O-N 3.13Å; S245-R248 PolarHBondContact O-N 2.91Å; S245-Q249 PolarHBondContact O-N 3.25Å
246G63.1Low62.3Low52 Ų5283.1 Ų83.154%0.53646%0.463SS..Hα-helixtrans-58.9-28.2-159.500000118.6F250G246-F250 WeakPolarHBondContact O-CB 3.3Å; G246-F250 PolarHBondContact O-N 3.25Å
247W65.4Low64.3Low221 Ų22179.7 Ų79.784%0.83743%0.427SS*.Hα-helixtrans-73.7-38.8178.5-80.586.9000112.8S245 F250 V251S245-W247 PolarHBondContact O-N 2.88Å; S245-W247 VanDerWaalsContact O-N 3.13Å; W247-F250 PolarHBondContact O-N 3.25Å; W247-V251 PolarHBondContact O-N 2.93Å
248R67.7Low66.1Low185 Ų18578.5 Ų78.570%0.69842%0.418SS*.Hα-helixtrans-67.9-40.3175.7-73.1-175-177.4169.91.7110.5V244 S245 F250 V251 S252V244-R248 HydrophobicContact CG1-CB 4.25Å; S245-R248 PolarHBondContact O-N 2.91Å; R248-F250 VanDerWaalsContact C-N 3.27Å; R248-F250 PolarHBondContact O-N 2.97Å; R248-V251 PolarHBondContact O-N 2.92Å; R248-S252 WeakPolarHBondContact O-CB 3.18Å; R248-S252 PolarHBondContact O-N 2.9Å; R248-S252 PolarHBondContact O-OG 3.32Å
249Q68.7Low67.8Low26 Ų2677.4 Ų77.412%0.12142%0.418CS..Hα-helixtrans-60.5-37174-169-177.23.600111.8Y113 S245 S252 G253Y113-Q249 PolarHBondContact O-NE2 3.45Å; S245-Q249 PolarHBondContact O-N 3.25Å; Q249-S252 WeakPolarHBondContact CA-OG 3.29Å; Q249-S252 PolarHBondContact O-OG 2.95Å; Q249-G253 VanDerWaalsContact O-CA 3.27Å; Q249-G253 WeakPolarHBondContact O-CA 3.35Å; Q249-G253 PolarHBondContact O-N 2.76Å
250F69.5Low69.4Low112 Ų11274.2 Ų74.249%0.49139%0.393SS..Hα-helixtrans-66.7-45.3177.1-169.8-92.7000112.3G246 W247 R248 F254G246-F250 WeakPolarHBondContact O-CB 3.3Å; G246-F250 PolarHBondContact O-N 3.25Å; W247-F250 PolarHBondContact O-N 3.25Å; R248-F250 VanDerWaalsContact C-N 3.27Å; R248-F250 PolarHBondContact O-N 2.97Å; F250-F254 WeakPolarHBondContact O-CB 3.5Å; F250-F254 PolarHBondContact O-N 3.27Å
251V75.8Confident70.8Confident87 Ų8771.4 Ų71.453%0.52738%0.377SS..Hα-helixtrans-70.8-43179.3-179.90000111.6W247 R248 F254 N255W247-V251 PolarHBondContact O-N 2.93Å; R248-V251 PolarHBondContact O-N 2.92Å; V251-F254 PolarHBondContact O-N 2.94Å; V251-N255 PolarHBondContact O-N 3.2Å; V251-N255 VanDerWaalsContact O-N 3.14Å
252S74.2Confident72.3Confident42 Ų4278.6 Ų78.629%0.29440%0.401SS..Hα-helixtrans-65.3-43.8175.465.60000110.9R248 Q249 F254 N255 E256R248-S252 WeakPolarHBondContact O-CB 3.18Å; R248-S252 PolarHBondContact O-N 2.9Å; R248-S252 PolarHBondContact O-OG 3.32Å; Q249-S252 WeakPolarHBondContact CA-OG 3.29Å; Q249-S252 PolarHBondContact O-OG 2.95Å; S252-F254 VanDerWaalsContact C-N 3.29Å; S252-F254 PolarHBondContact O-N 2.94Å; S252-N255 PolarHBondContact O-N 3.47Å; S252-E256 WeakPolarHBondContact O-CB 3.43Å; S252-E256 VanDerWaalsContact O-CG 3.29Å; S252-E256 WeakPolarHBondContact O-CG 3.34Å; S252-E256 PolarHBondContact O-N 3.45Å
253G73.9Confident73.8Confident17 Ų1775.9 Ų75.918%0.17538%0.38CS..Hα-helixtrans-61.1-36.817600000112Q249 E256 A257Q249-G253 VanDerWaalsContact O-CA 3.27Å; Q249-G253 WeakPolarHBondContact O-CA 3.35Å; Q249-G253 PolarHBondContact O-N 2.76Å; G253-E256 PolarHBondContact O-N 3.14Å; G253-A257 WeakPolarHBondContact O-CB 3.09Å; G253-A257 PolarHBondContact O-N 3.28Å
254F79.7Confident75Confident89 Ų8972.9 Ų72.939%0.3936%0.362SS..Hα-helixtrans-64.5-46.5173.4-173-90.7000112.1F250 V251 S252 E256 A257 L258 I574F250-F254 WeakPolarHBondContact O-CB 3.5Å; F250-F254 PolarHBondContact O-N 3.27Å; V251-F254 PolarHBondContact O-N 2.94Å; S252-F254 VanDerWaalsContact C-N 3.29Å; S252-F254 PolarHBondContact O-N 2.94Å; F254-E256 VanDerWaalsContact C-N 3.33Å; F254-E256 PolarHBondContact O-N 3.43Å; F254-A257 PolarHBondContact O-N 3.31Å; F254-L258 VanDerWaalsContact O-CB 3.28Å; F254-L258 WeakPolarHBondContact O-CB 3.35Å; F254-L258 PolarHBondContact O-N 3.39Å; F254-I574 HydrophobicContact CD2-CD1 3.53Å; F254-I574 HydrophobicContact CD2-CG1 4.25Å; F254-I574 HydrophobicContact CE2-CD1 3.63Å; F254-I574 HydrophobicContact CE2-CG1 3.83Å; F254-I574 HydrophobicContact CG-CD1 4.34Å
255N84.4Confident76.3Confident92 Ų9271.3 Ų71.349%0.49235%0.351SS..Hα-helixtrans-66-36.9177.7-74.4-8.7000112.3V251 S252 L258 T259V251-N255 PolarHBondContact O-N 3.2Å; V251-N255 VanDerWaalsContact O-N 3.14Å; S252-N255 PolarHBondContact O-N 3.47Å; N255-L258 PolarHBondContact O-N 3.1Å; N255-T259 PolarHBondContact O-N 2.99Å; N255-T259 PolarHBondContact O-OG1 3.28Å
256E82.4Confident77.8Confident34 Ų3469.9 Ų69.916%0.15935%0.345CS..Hα-helixtrans-68-46.5174.8-73.7168171.800111V112 R121 S252 G253 F254 L258 T259 M260V112-E256 WeakPolarHBondContact CG1-OE2 3.32Å; R121-E256 IonicContact CZ-OE1 3.74Å; R121-E256 IonicContact NH1-OE1 3.95Å; R121-E256 PolarHBondContact NH1-OE1 2.96Å; R121-E256 IonicContact NH1-OE2 3.5Å; R121-E256 IonicContact NH2-OE1 3.43Å; R121-E256 PolarHBondContact NH2-OE1 3.43Å; S252-E256 WeakPolarHBondContact O-CB 3.43Å; S252-E256 VanDerWaalsContact O-CG 3.29Å; S252-E256 WeakPolarHBondContact O-CG 3.34Å; S252-E256 PolarHBondContact O-N 3.45Å; G253-E256 PolarHBondContact O-N 3.14Å; F254-E256 VanDerWaalsContact C-N 3.33Å; F254-E256 PolarHBondContact O-N 3.43Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 3.01Å; E256-T259 PolarHBondContact O-N 2.85Å; E256-T259 VanDerWaalsContact O-N 3.14Å; E256-M260 WeakPolarHBondContact O-CB 3.2Å; E256-M260 VanDerWaalsContact O-CG 3.31Å; E256-M260 WeakPolarHBondContact O-CG 3.2Å; E256-M260 PolarHBondContact O-N 3.43Å
257A81.1Confident78.5Confident4 Ų470.4 Ų70.43%0.03334%0.344CS..Hα-helixtrans-60.8-37.8174.400000111.9G253 F254 M260 A261 I574G253-A257 WeakPolarHBondContact O-CB 3.09Å; G253-A257 PolarHBondContact O-N 3.28Å; F254-A257 PolarHBondContact O-N 3.31Å; A257-M260 HydrophobicContact CB-CE 4.31Å; A257-M260 PolarHBondContact O-N 3.39Å; A257-A261 WeakPolarHBondContact O-CB 3.47Å; A257-A261 PolarHBondContact O-N 3.23Å; A257-I574 HydrophobicContact CB-CD1 3.59Å
258L85.5Confident79.3Confident47 Ų4762.5 Ų62.525%0.24632%0.318CS..Hα-helixtrans-63.6-45173.2-176.168.6000111.3F254 N255 E256 A261 W262 I574 L578F254-L258 VanDerWaalsContact O-CB 3.28Å; F254-L258 WeakPolarHBondContact O-CB 3.35Å; F254-L258 PolarHBondContact O-N 3.39Å; N255-L258 PolarHBondContact O-N 3.1Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 3.01Å; L258-A261 PolarHBondContact O-N 3.35Å; L258-W262 WeakPolarHBondContact O-CB 3.47Å; L258-W262 PolarHBondContact O-N 3.35Å; L258-I574 HydrophobicContact CD1-CG2 4.13Å; L258-L578 HydrophobicContact CD1-CD1 4.1Å; L258-L578 HydrophobicContact CD1-CD2 3.97Å
259T85.2Confident80.3Confident66 Ų6661.2 Ų61.241%0.40532%0.318SS..Hα-helixtrans-64-42.6177.2-56.10000111.2N255 E256 W262 R263N255-T259 PolarHBondContact O-N 2.99Å; N255-T259 PolarHBondContact O-OG1 3.28Å; E256-T259 PolarHBondContact O-N 2.85Å; E256-T259 VanDerWaalsContact O-N 3.14Å; T259-W262 PolarHBondContact O-N 3.48Å; T259-R263 WeakPolarHBondContact O-CG 3.23Å; T259-R263 PolarHBondContact O-N 3.49Å; T259-R263 VanDerWaalsContact O-N 3.07Å
260M80Confident81.2Confident45 Ų4566.4 Ų66.422%0.22234%0.343CS..Hα-helixtrans-63-44.7175-72.1-171.3-70.900111.5E256 A257 R263 A264E256-M260 WeakPolarHBondContact O-CB 3.2Å; E256-M260 VanDerWaalsContact O-CG 3.31Å; E256-M260 WeakPolarHBondContact O-CG 3.2Å; E256-M260 PolarHBondContact O-N 3.43Å; A257-M260 HydrophobicContact CB-CE 4.31Å; A257-M260 PolarHBondContact O-N 3.39Å; M260-R263 PolarHBondContact O-N 2.97Å; M260-A264 VanDerWaalsContact O-CB 3.26Å; M260-A264 WeakPolarHBondContact O-CB 3.37Å; M260-A264 PolarHBondContact O-N 2.92Å
261A83Confident81.9Confident0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-60.9-45.4175.800000110.9A257 L258 R263 A264 L265 I574 E575 L578A257-A261 WeakPolarHBondContact O-CB 3.47Å; A257-A261 PolarHBondContact O-N 3.23Å; L258-A261 PolarHBondContact O-N 3.35Å; A261-R263 VanDerWaalsContact C-N 3.34Å; A261-R263 PolarHBondContact O-N 2.91Å; A261-A264 WeakPolarHBondContact O-CB 3.19Å; A261-A264 PolarHBondContact O-N 3.45Å; A261-L265 VanDerWaalsContact O-CG 3.27Å; A261-L265 WeakPolarHBondContact O-CG 3.16Å; A261-L265 PolarHBondContact O-N 2.93Å; A261-I574 HydrophobicContact CB-CG2 4.2Å; A261-E575 HydrophobicContact CB-CB 4.01Å; A261-L578 HydrophobicContact CB-CD2 4.39Å
262W86.7Confident82.5Confident173 Ų17360.8 Ų60.866%0.65531%0.311SS*.Hα-helixtrans-62.9-40.9-179.9-139.1-22.1000112.5L258 T259 L265 A266L258-W262 WeakPolarHBondContact O-CB 3.47Å; L258-W262 PolarHBondContact O-N 3.35Å; T259-W262 PolarHBondContact O-N 3.48Å; W262-L265 PolarHBondContact O-N 3.01Å; W262-A266 WeakPolarHBondContact O-CB 3.42Å; W262-A266 PolarHBondContact O-N 3.27Å
263R82.8Confident83.2Confident96 Ų9663.5 Ų63.536%0.36232%0.322SS..Hα-helixtrans-65.9-42.3174.1-71.2175.5-175.4-173.8-2111.9T259 M260 A261 L265 A266 A267T259-R263 WeakPolarHBondContact O-CG 3.23Å; T259-R263 PolarHBondContact O-N 3.49Å; T259-R263 VanDerWaalsContact O-N 3.07Å; M260-R263 PolarHBondContact O-N 2.97Å; A261-R263 VanDerWaalsContact C-N 3.34Å; A261-R263 PolarHBondContact O-N 2.91Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 3.12Å; R263-A266 PolarHBondContact O-N 3.42Å; R263-A267 PolarHBondContact O-N 3.16Å
264A78.4Confident83.8Confident5 Ų567.7 Ų67.74%0.04134%0.34CS..Hα-helixtrans-58.9-41.3174.900000112.2M260 A261 R551M260-A264 VanDerWaalsContact O-CB 3.26Å; M260-A264 WeakPolarHBondContact O-CB 3.37Å; M260-A264 PolarHBondContact O-N 2.92Å; A261-A264 WeakPolarHBondContact O-CB 3.19Å; A261-A264 PolarHBondContact O-N 3.45Å; A264-R551 PolarHBondContact O-NH2 3.31Å
265L82Confident84.1Confident20 Ų2064.1 Ų64.111%0.10533%0.325CS..Hα-helixtrans-69-37.8174.9-67.8-179.4000112.3A261 W262 R263 N268 T272 E575 L578 V579A261-L265 VanDerWaalsContact O-CG 3.27Å; A261-L265 WeakPolarHBondContact O-CG 3.16Å; A261-L265 PolarHBondContact O-N 2.93Å; W262-L265 PolarHBondContact O-N 3.01Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 3.12Å; L265-N268 CarbonylContact O-C 3.55Å; L265-N268 PolarHBondContact O-N 3.36Å; L265-T272 HydrophobicContact CB-CG2 4.1Å; L265-T272 HydrophobicContact CD1-CG2 4.45Å; L265-T272 HydrophobicContact CD2-CG2 3.85Å; L265-T272 HydrophobicContact CG-CG2 4.34Å; L265-T272 PolarHBondContact O-OG1 3.45Å; L265-T272 VanDerWaalsContact O-OG1 3.06Å; L265-E575 HydrophobicContact CD2-CG 3.78Å; L265-E575 HydrophobicContact CG-CG 4.18Å; L265-L578 HydrophobicContact CD1-CD2 3.78Å; L265-L578 HydrophobicContact CD1-CG 4.18Å; L265-V579 HydrophobicContact CD1-CG2 3.76Å; L265-V579 HydrophobicContact CD2-CG2 3.39Å; L265-V579 HydrophobicContact CG-CG2 4.22Å
266A83.6Confident84.3Confident54 Ų5461 Ų6145%0.44631%0.309SS..Hα-helixtrans-69.9-30177.900000113.1W262 R263 N268 K269W262-A266 WeakPolarHBondContact O-CB 3.42Å; W262-A266 PolarHBondContact O-N 3.27Å; R263-A266 PolarHBondContact O-N 3.42Å; A266-N268 VanDerWaalsContact C-N 3.34Å; A266-K269 WeakPolarHBondContact O-CG 3.41Å
267A78.7Confident84.6Confident64 Ų6463.4 Ų63.453%0.52932%0.322SS..Hα-helixtrans-66.5-36.5173.400000111.7R263R263-A267 PolarHBondContact O-N 3.16Å
268N82Confident84.8Confident54 Ų5464.7 Ų64.729%0.28934%0.336SS..THydrogen-bonded Turntrans-113.953.3-175.6-71.7-37.7000112.9L265 A266 M270 R271 T272 R551L265-N268 CarbonylContact O-C 3.55Å; L265-N268 PolarHBondContact O-N 3.36Å; A266-N268 VanDerWaalsContact C-N 3.34Å; N268-M270 PolarHBondContact O-N 3.4Å; N268-R271 HydrophobicContact CB-CB 4.27Å; N268-R271 PolarHBondContact O-N 3.31Å; N268-T272 PolarHBondContact O-N 3.02Å; N268-T272 PolarHBondContact O-OG1 2.76Å; N268-T272 VanDerWaalsContact O-OG1 3.05Å; N268-R551 PolarHBondContact ND2-NH2 3.25Å
269K88.4Confident85Confident159 Ų15962.6 Ų62.669%0.69133%0.325SS*.Hα-helixtrans-52.3-45.5-171.8-60.8-168.5179.2178.50114.8A266 T272 L273A266-K269 WeakPolarHBondContact O-CG 3.41Å; K269-T272 PolarHBondContact O-N 3.05Å; K269-L273 VanDerWaalsContact O-CB 3.31Å; K269-L273 WeakPolarHBondContact O-CB 3.5Å; K269-L273 PolarHBondContact O-N 3.47Å
270M87.8Confident85.3Confident134 Ų13460.5 Ų60.566%0.6631%0.311SS*.Hα-helixtrans-64.4-44.9-177.5-175.36379.200111.4N268 L273 L274N268-M270 PolarHBondContact O-N 3.4Å; M270-L273 PolarHBondContact O-N 3.11Å; M270-L274 HydrophobicContact CG-CD1 4.3Å; M270-L274 WeakPolarHBondContact O-CG 3.43Å; M270-L274 PolarHBondContact O-N 3.43Å
271R84.8Confident85.8Confident64 Ų6462.7 Ų62.724%0.24232%0.322CS..Hα-helixtrans-62.6-47.1176.9-179.8-176.4-67.3-179.25.3110.8N268 L273 L274 T275 I543 E550N268-R271 HydrophobicContact CB-CB 4.27Å; N268-R271 PolarHBondContact O-N 3.31Å; R271-L273 VanDerWaalsContact C-N 3.32Å; R271-L273 PolarHBondContact O-N 3.41Å; R271-L274 PolarHBondContact O-N 3.21Å; R271-T275 WeakPolarHBondContact O-CB 3.39Å; R271-T275 PolarHBondContact O-N 3.13Å; R271-T275 PolarHBondContact O-OG1 3.26Å; R271-I543 HydrophobicContact CG-CG2 3.36Å; R271-E550 IonicContact CZ-OE1 2.74Å; R271-E550 IonicContact CZ-OE2 2.69Å; R271-E550 IonicContact NH1-OE1 2.87Å; R271-E550 IonicContact NH1-OE2 3.8Å; R271-E550 PolarHBondContact NH1-OE2 2.74Å; R271-E550 IonicContact NH2-OE1 2.83Å; R271-E550 PolarHBondContact NH2-OE1 2.99Å; R271-E550 IonicContact NH2-OE2 3.19Å; R271-E550 PolarHBondContact NH2-OE2 3.4Å
272T86.9Confident86Confident17 Ų1762.8 Ų62.810%0.10432%0.323CS..Hα-helixtrans-58.3-45176.3-55.70000111.1L265 N268 K269 T275 M276 V579L265-T272 HydrophobicContact CB-CG2 4.1Å; L265-T272 HydrophobicContact CD1-CG2 4.45Å; L265-T272 HydrophobicContact CD2-CG2 3.85Å; L265-T272 HydrophobicContact CG-CG2 4.34Å; L265-T272 PolarHBondContact O-OG1 3.45Å; L265-T272 VanDerWaalsContact O-OG1 3.06Å; N268-T272 PolarHBondContact O-N 3.02Å; N268-T272 PolarHBondContact O-OG1 2.76Å; N268-T272 VanDerWaalsContact O-OG1 3.05Å; K269-T272 PolarHBondContact O-N 3.05Å; T272-T275 PolarHBondContact O-N 3.33Å; T272-M276 HydrophobicContact CG2-CE 3.85Å; T272-M276 HydrophobicContact CG2-CG 4.47Å; T272-M276 HydrophobicContact CG2-SD 4.16Å; T272-M276 WeakPolarHBondContact O-CB 3.28Å; T272-M276 VanDerWaalsContact O-CG 3.3Å; T272-M276 WeakPolarHBondContact O-CG 3.5Å; T272-M276 PolarHBondContact O-N 2.88Å; T272-V579 HydrophobicContact CG2-CG2 4.43Å
273L89.5Confident86.1Confident100 Ų10054.6 Ų54.652%0.52429%0.292SS..Hα-helixtrans-61.1-49.3178.6-177.668.5000112.3K269 M270 R271 T275 M276 L277K269-L273 VanDerWaalsContact O-CB 3.31Å; K269-L273 WeakPolarHBondContact O-CB 3.5Å; K269-L273 PolarHBondContact O-N 3.47Å; M270-L273 PolarHBondContact O-N 3.11Å; R271-L273 VanDerWaalsContact C-N 3.32Å; R271-L273 PolarHBondContact O-N 3.41Å; L273-T275 VanDerWaalsContact C-N 3.31Å; L273-T275 PolarHBondContact O-N 2.9Å; L273-M276 PolarHBondContact O-N 3.49Å; L273-L277 WeakPolarHBondContact O-CB 3.39Å; L273-L277 PolarHBondContact O-N 3.25Å
274L87.5Confident86.5Confident105 Ų10550.2 Ų50.255%0.5528%0.277SS..Hα-helixtrans-62.9-38.8179.1-69.1173.4000112M270 R271 L277M270-L274 HydrophobicContact CG-CD1 4.3Å; M270-L274 WeakPolarHBondContact O-CG 3.43Å; M270-L274 PolarHBondContact O-N 3.43Å; R271-L274 PolarHBondContact O-N 3.21Å; L274-L277 PolarHBondContact O-N 3.34Å
275T84.6Confident87Confident13 Ų1352.6 Ų52.68%0.0829%0.293CS..Hα-helixtrans-63.8-48.7176-47.60000110.9R271 T272 L273 L277 G278 V540 I543 V579R271-T275 WeakPolarHBondContact O-CB 3.39Å; R271-T275 PolarHBondContact O-N 3.13Å; R271-T275 PolarHBondContact O-OG1 3.26Å; T272-T275 PolarHBondContact O-N 3.33Å; L273-T275 VanDerWaalsContact C-N 3.31Å; L273-T275 PolarHBondContact O-N 2.9Å; T275-L277 VanDerWaalsContact C-N 3.3Å; T275-L277 PolarHBondContact O-N 3.06Å; T275-G278 PolarHBondContact O-N 2.93Å; T275-V540 HydrophobicContact CG2-CB 4.2Å; T275-V540 HydrophobicContact CG2-CG1 4.38Å; T275-V540 HydrophobicContact CG2-CG2 3.71Å; T275-I543 HydrophobicContact CG2-CD1 4.18Å; T275-I543 WeakPolarHBondContact OG1-CD1 3.33Å; T275-V579 HydrophobicContact CG2-CG1 3.7Å
276M88.7Confident87.2Confident28 Ų2852.7 Ų52.714%0.13829%0.294CS..Hα-helixtrans-62.7-37.3178-71.7-174.4-55.300111.6T272 L273 G278 I279 I280 V579 V582T272-M276 HydrophobicContact CG2-CE 3.85Å; T272-M276 HydrophobicContact CG2-CG 4.47Å; T272-M276 HydrophobicContact CG2-SD 4.16Å; T272-M276 WeakPolarHBondContact O-CB 3.28Å; T272-M276 VanDerWaalsContact O-CG 3.3Å; T272-M276 WeakPolarHBondContact O-CG 3.5Å; T272-M276 PolarHBondContact O-N 2.88Å; L273-M276 PolarHBondContact O-N 3.49Å; M276-G278 VanDerWaalsContact C-N 3.33Å; M276-G278 PolarHBondContact O-N 3.05Å; M276-I279 WeakPolarHBondContact O-CB 3.43Å; M276-I279 PolarHBondContact O-N 3.29Å; M276-I279 VanDerWaalsContact O-N 3.07Å; M276-I280 HydrophobicContact CB-CD1 4.14Å; M276-I280 WeakPolarHBondContact O-CB 3.24Å; M276-I280 WeakPolarHBondContact O-CG1 3.43Å; M276-I280 PolarHBondContact O-N 2.68Å; M276-V579 HydrophobicContact CG-CG1 3.77Å; M276-V582 HydrophobicContact SD-CB 4.25Å; M276-V582 HydrophobicContact SD-CG1 3.77Å
277L89.7Confident87.4Confident84 Ų8450.2 Ų50.244%0.4427%0.274SS..Hα-helixtrans-58.3-41.9-177.7-174.764.4000112.6L273 L274 T275 I279 I280 I281L273-L277 WeakPolarHBondContact O-CB 3.39Å; L273-L277 PolarHBondContact O-N 3.25Å; L274-L277 PolarHBondContact O-N 3.34Å; T275-L277 VanDerWaalsContact C-N 3.3Å; T275-L277 PolarHBondContact O-N 3.06Å; L277-I279 VanDerWaalsContact C-N 3.3Å; L277-I279 PolarHBondContact O-N 3.05Å; L277-I280 PolarHBondContact O-N 3.11Å; L277-I281 HydrophobicContact CD1-CD1 4Å; L277-I281 HydrophobicContact CD1-CG1 4.23Å; L277-I281 HydrophobicContact CG-CD1 3.86Å; L277-I281 HydrophobicContact CG-CG1 4.46Å; L277-I281 WeakPolarHBondContact O-CB 3.43Å; L277-I281 VanDerWaalsContact O-CG1 3.3Å; L277-I281 WeakPolarHBondContact O-CG1 3.17Å; L277-I281 PolarHBondContact O-N 2.83Å
278G85.9Confident87.9Confident31 Ų3148 Ų4832%0.3226%0.255SS..Hα-helixtrans-60.6-4017600000112.6T275 M276 G282T275-G278 PolarHBondContact O-N 2.93Å; M276-G278 VanDerWaalsContact C-N 3.33Å; M276-G278 PolarHBondContact O-N 3.05Å; G278-G282 PolarHBondContact O-N 3.13Å
279I88.5Confident88.1Confident3 Ų348 Ų482%0.01525%0.254CS..Hα-helixtrans-72-42.6178.2-51.3179.9000110.9M276 L277 G282 I283 V540 V579 C580M276-I279 WeakPolarHBondContact O-CB 3.43Å; M276-I279 PolarHBondContact O-N 3.29Å; M276-I279 VanDerWaalsContact O-N 3.07Å; L277-I279 VanDerWaalsContact C-N 3.3Å; L277-I279 PolarHBondContact O-N 3.05Å; I279-G282 PolarHBondContact O-N 2.91Å; I279-I283 HydrophobicContact CG2-CD1 3.68Å; I279-I283 HydrophobicContact CG2-CG1 4.45Å; I279-I283 WeakPolarHBondContact O-CB 3.33Å; I279-I283 PolarHBondContact O-N 3.04Å; I279-V540 HydrophobicContact CD1-CG2 3.64Å; I279-V540 HydrophobicContact CG1-CG2 4.14Å; I279-V579 HydrophobicContact CD1-CG1 4.26Å; I279-C580 HydrophobicContact CD1-CB 3.98Å; I279-C580 WeakPolarHBondContact CD1-SG 3.31Å
280I92Very high87.9Confident22 Ų2242.5 Ų42.511%0.11323%0.233CC..Hα-helixtrans-57.3-51.7176.8-71165.2000109.8M276 L277 A284 G583 L586 L590M276-I280 HydrophobicContact CB-CD1 4.14Å; M276-I280 WeakPolarHBondContact O-CB 3.24Å; M276-I280 WeakPolarHBondContact O-CG1 3.43Å; M276-I280 PolarHBondContact O-N 2.68Å; L277-I280 PolarHBondContact O-N 3.11Å; I280-A284 WeakPolarHBondContact O-CB 3.46Å; I280-A284 PolarHBondContact O-N 3.45Å; I280-G583 WeakPolarHBondContact CG1-O 3.44Å; I280-L586 HydrophobicContact CD1-CB 3.8Å; I280-L586 HydrophobicContact CD1-CD1 3.88Å; I280-L586 HydrophobicContact CG1-CB 3.76Å; I280-L590 HydrophobicContact CG2-CD2 3.74Å
281I89.5Confident87.8Confident91 Ų9136.3 Ų36.347%0.46720%0.203SC..Hα-helixtrans-64.1-43.8-179.9-66.7169.5000110.5L277 S285L277-I281 HydrophobicContact CD1-CD1 4Å; L277-I281 HydrophobicContact CD1-CG1 4.23Å; L277-I281 HydrophobicContact CG-CD1 3.86Å; L277-I281 HydrophobicContact CG-CG1 4.46Å; L277-I281 WeakPolarHBondContact O-CB 3.43Å; L277-I281 VanDerWaalsContact O-CG1 3.3Å; L277-I281 WeakPolarHBondContact O-CG1 3.17Å; L277-I281 PolarHBondContact O-N 2.83Å; I281-S285 VanDerWaalsContact O-CB 3.28Å; I281-S285 WeakPolarHBondContact O-CB 3.39Å; I281-S285 PolarHBondContact O-N 3.24Å; I281-S285 PolarHBondContact O-OG 2.84Å
282G87.4Confident87.9Confident2 Ų235.1 Ų35.12%0.02120%0.203CC..Hα-helixtrans-57.9-53.2178.100000112.2G278 I279 S285 V286G278-G282 PolarHBondContact O-N 3.13Å; I279-G282 PolarHBondContact O-N 2.91Å; G282-S285 PolarHBondContact O-N 3.05Å; G282-V286 VanDerWaalsContact O-CG2 3.3Å; G282-V286 WeakPolarHBondContact O-CG2 3.36Å; G282-V286 PolarHBondContact O-N 3.13Å
283I89.5Confident87.8Confident1 Ų135 Ų351%0.00520%0.204CC..Hα-helixtrans-69.8-40.5-178.2-69.8170.8000111.5I279 S285 V286 V287 L533 I588 A617 S621I279-I283 HydrophobicContact CG2-CD1 3.68Å; I279-I283 HydrophobicContact CG2-CG1 4.45Å; I279-I283 WeakPolarHBondContact O-CB 3.33Å; I279-I283 PolarHBondContact O-N 3.04Å; I283-S285 VanDerWaalsContact C-N 3.26Å; I283-S285 PolarHBondContact O-N 3.13Å; I283-V286 PolarHBondContact O-N 2.94Å; I283-V287 HydrophobicContact CG2-CG2 4.19Å; I283-V287 WeakPolarHBondContact O-CG2 3.31Å; I283-V287 PolarHBondContact O-N 3.33Å; I283-L533 HydrophobicContact CD1-CD1 4.28Å; I283-L533 HydrophobicContact CG1-CD1 3.8Å; I283-I588 HydrophobicContact CG2-CG1 3.93Å; I283-A617 HydrophobicContact CG2-CB 4.26Å; I283-S621 VanDerWaalsContact CD1-CB 3.46Å
284A91.2Very high87.5Confident4 Ų433 Ų333%0.03319%0.194CC..Hα-helixtrans-59.6-40.8175.700000111.3I280 S288 G587 L590I280-A284 WeakPolarHBondContact O-CB 3.46Å; I280-A284 PolarHBondContact O-N 3.45Å; A284-S288 WeakPolarHBondContact O-CB 3.38Å; A284-S288 PolarHBondContact O-N 3.22Å; A284-S288 PolarHBondContact O-OG 3.34Å; A284-G587 WeakPolarHBondContact CA-O 3.26Å; A284-G587 WeakPolarHBondContact CB-O 3.25Å; A284-L590 HydrophobicContact CB-CB 4.21Å; A284-L590 HydrophobicContact CB-CD2 3.9Å; A284-L590 HydrophobicContact CB-CG 4.11Å
285S88Confident87.4Confident54 Ų5428.3 Ų28.338%0.37817%0.171SC..Hα-helixtrans-66.3-45.8176.9-57.20000111.9I281 G282 I283 I289I281-S285 VanDerWaalsContact O-CB 3.28Å; I281-S285 WeakPolarHBondContact O-CB 3.39Å; I281-S285 PolarHBondContact O-N 3.24Å; I281-S285 PolarHBondContact O-OG 2.84Å; G282-S285 PolarHBondContact O-N 3.05Å; I283-S285 VanDerWaalsContact C-N 3.26Å; I283-S285 PolarHBondContact O-N 3.13Å; S285-I289 WeakPolarHBondContact O-CB 3.32Å; S285-I289 VanDerWaalsContact O-CG2 3.29Å; S285-I289 WeakPolarHBondContact O-CG2 3.1Å; S285-I289 PolarHBondContact O-N 3.15Å
286V86.4Confident87.4Confident23 Ų2329 Ų2914%0.13918%0.178CC..Hα-helixtrans-61-50.3178.3173.10000111.5G282 I283 I289 V290 A529G282-V286 VanDerWaalsContact O-CG2 3.3Å; G282-V286 WeakPolarHBondContact O-CG2 3.36Å; G282-V286 PolarHBondContact O-N 3.13Å; I283-V286 PolarHBondContact O-N 2.94Å; V286-I289 WeakPolarHBondContact O-CG2 3.48Å; V286-V290 WeakPolarHBondContact O-CB 3.33Å; V286-V290 VanDerWaalsContact O-CG2 3.23Å; V286-V290 WeakPolarHBondContact O-CG2 3.49Å; V286-V290 PolarHBondContact O-N 2.94Å; V286-V290 VanDerWaalsContact O-N 3.15Å; V286-A529 HydrophobicContact CB-CB 4.15Å; V286-A529 VanDerWaalsContact CG2-C 3.5Å; V286-A529 HydrophobicContact CG2-CB 3.45Å; V286-A529 VanDerWaalsContact CG2-CB 3.45Å; V286-A529 WeakPolarHBondContact CG2-O 3.45Å
287V88.6Confident87.1Confident2 Ų230 Ų301%0.01218%0.181CC..Hα-helixtrans-68.1-42.6-177.7179.50000110.1I283 I289 V290 V291 S591 L614 A617I283-V287 HydrophobicContact CG2-CG2 4.19Å; I283-V287 WeakPolarHBondContact O-CG2 3.31Å; I283-V287 PolarHBondContact O-N 3.33Å; V287-I289 PolarHBondContact O-N 2.94Å; V287-V290 PolarHBondContact O-N 2.93Å; V287-V291 HydrophobicContact CG1-CG2 4.21Å; V287-V291 WeakPolarHBondContact O-CB 3.49Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 2.9Å; V287-S591 WeakPolarHBondContact CB-OG 2.97Å; V287-S591 VanDerWaalsContact CG1-OG 3.28Å; V287-S591 WeakPolarHBondContact CG1-OG 3.3Å; V287-L614 HydrophobicContact CG1-CD1 4.43Å; V287-A617 HydrophobicContact CG2-CB 3.81Å
288S88.3Confident86.8Confident18 Ų1830.2 Ų30.213%0.12618%0.18CC..Hα-helixtrans-64.5-42.9-179.7-53.60000111.7A284 V290 V291 V292 S591A284-S288 WeakPolarHBondContact O-CB 3.38Å; A284-S288 PolarHBondContact O-N 3.22Å; A284-S288 PolarHBondContact O-OG 3.34Å; S288-V290 PolarHBondContact O-N 3.25Å; S288-V291 PolarHBondContact O-N 3.36Å; S288-V292 VanDerWaalsContact O-CB 3.25Å; S288-V292 WeakPolarHBondContact O-CB 3.34Å; S288-V292 WeakPolarHBondContact O-CG2 3.48Å; S288-V292 PolarHBondContact O-N 3Å; S288-S591 PolarHBondContact N-OG 3.42Å; S288-S591 PolarHBondContact OG-OG 3.41Å
289I86.7Confident86.6Confident53 Ų5332.1 Ų32.127%0.27218%0.182SC..Hα-helixtrans-69.2-34.7-179.4-162.158.6000112.5S285 V286 V287 G293 L525 A529S285-I289 WeakPolarHBondContact O-CB 3.32Å; S285-I289 VanDerWaalsContact O-CG2 3.29Å; S285-I289 WeakPolarHBondContact O-CG2 3.1Å; S285-I289 PolarHBondContact O-N 3.15Å; V286-I289 WeakPolarHBondContact O-CG2 3.48Å; V287-I289 PolarHBondContact O-N 2.94Å; I289-G293 WeakPolarHBondContact O-CA 3.33Å; I289-G293 PolarHBondContact O-N 3.22Å; I289-L525 HydrophobicContact CD1-CB 4.47Å; I289-L525 HydrophobicContact CD1-CD1 4.13Å; I289-L525 HydrophobicContact CD1-CD2 4.45Å; I289-L525 HydrophobicContact CG1-CB 3.79Å; I289-L525 HydrophobicContact CG1-CD1 4.27Å; I289-L525 HydrophobicContact CG1-CG 4.42Å; I289-A529 HydrophobicContact CG2-CB 4Å
290V84.6Confident86.3Confident44 Ų4434.4 Ų34.427%0.26720%0.196SC..Hα-helixtrans-65.8-47174.9169.70000110.2V286 V287 S288 G293 D294 T526 A613V286-V290 WeakPolarHBondContact O-CB 3.33Å; V286-V290 VanDerWaalsContact O-CG2 3.23Å; V286-V290 WeakPolarHBondContact O-CG2 3.49Å; V286-V290 PolarHBondContact O-N 2.94Å; V286-V290 VanDerWaalsContact O-N 3.15Å; V287-V290 PolarHBondContact O-N 2.93Å; S288-V290 PolarHBondContact O-N 3.25Å; V290-G293 PolarHBondContact O-N 3.45Å; V290-D294 WeakPolarHBondContact O-CB 3.4Å; V290-D294 PolarHBondContact O-N 3.06Å; V290-T526 HydrophobicContact CG2-CG2 3.53Å; V290-A613 HydrophobicContact CG1-CB 4.07Å
291V86.3Confident85.7Confident4 Ų433.5 Ų33.52%0.02419%0.191CC..Hα-helixtrans-66.7-47.9-178.3170.80000111.4V287 S288 D294 A295 I607 F609V287-V291 HydrophobicContact CG1-CG2 4.21Å; V287-V291 WeakPolarHBondContact O-CB 3.49Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 2.9Å; S288-V291 PolarHBondContact O-N 3.36Å; V291-D294 PolarHBondContact O-N 3.39Å; V291-A295 WeakPolarHBondContact O-CB 3.3Å; V291-A295 PolarHBondContact O-N 3.13Å; V291-I607 HydrophobicContact CG1-CB 4.39Å; V291-I607 HydrophobicContact CG1-CG2 3.2Å; V291-F609 HydrophobicContact CG1-CD1 4.48Å; V291-F609 HydrophobicContact CG1-CE1 4.43Å; V291-F609 HydrophobicContact CG2-CD1 4.12Å
292V85.6Confident85.3Confident39 Ų3931.8 Ų31.824%0.23619%0.19CC..Hα-helixtrans-64-42.3176.4171.90000110.7S288 D294 A295 A296 L598 W605S288-V292 VanDerWaalsContact O-CB 3.25Å; S288-V292 WeakPolarHBondContact O-CB 3.34Å; S288-V292 WeakPolarHBondContact O-CG2 3.48Å; S288-V292 PolarHBondContact O-N 3Å; V292-D294 PolarHBondContact O-N 3.33Å; V292-A295 PolarHBondContact O-N 3.43Å; V292-A296 WeakPolarHBondContact O-CB 3.46Å; V292-A296 PolarHBondContact O-N 2.89Å; V292-L598 HydrophobicContact CG2-CD1 3.65Å; V292-W605 HydrophobicContact CG1-CZ3 3.84Å
293G84.9Confident84.7Confident13 Ų1335.8 Ų35.813%0.13421%0.211CC..Hα-helixtrans-65.3-36.6178.100000113I289 V290 K297 Q522I289-G293 WeakPolarHBondContact O-CA 3.33Å; I289-G293 PolarHBondContact O-N 3.22Å; V290-G293 PolarHBondContact O-N 3.45Å; G293-K297 WeakPolarHBondContact O-CB 3.41Å; G293-K297 PolarHBondContact O-N 3.07Å; G293-Q522 PolarHBondContact O-NE2 3.49Å
294D83.7Confident84Confident58 Ų5836.4 Ų36.431%0.3122%0.215SC..Hα-helixtrans-73.3-42.5175.7-163.357.2000111.6V290 V291 V292 A296 K297 Q298V290-D294 WeakPolarHBondContact O-CB 3.4Å; V290-D294 PolarHBondContact O-N 3.06Å; V291-D294 PolarHBondContact O-N 3.39Å; V292-D294 PolarHBondContact O-N 3.33Å; D294-A296 PolarHBondContact O-N 3.15Å; D294-K297 WeakPolarHBondContact O-CB 3.15Å; D294-K297 PolarHBondContact O-N 2.95Å; D294-Q298 WeakPolarHBondContact O-CG 3.27Å; D294-Q298 PolarHBondContact O-N 3.41Å
295A85.3Confident83Confident7 Ų742 Ų426%0.05824%0.235CC..Hα-helixtrans-58.1-46.3173.300000111.8V291 V292 K297 Q298 M299 W605V291-A295 WeakPolarHBondContact O-CB 3.3Å; V291-A295 PolarHBondContact O-N 3.13Å; V292-A295 PolarHBondContact O-N 3.43Å; A295-K297 VanDerWaalsContact C-N 3.34Å; A295-K297 PolarHBondContact O-N 3.42Å; A295-Q298 PolarHBondContact O-N 3.43Å; A295-M299 WeakPolarHBondContact O-CB 3.39Å; A295-M299 PolarHBondContact O-N 2.81Å; A295-W605 HydrophobicContact CB-CE3 4.22Å
296A84Confident82.1Confident28 Ų2841.8 Ų41.823%0.23123%0.233CC..Hα-helixtrans-62.1-40.817600000112.1V292 D294 M299 V300 W605V292-A296 WeakPolarHBondContact O-CB 3.46Å; V292-A296 PolarHBondContact O-N 2.89Å; D294-A296 PolarHBondContact O-N 3.15Å; A296-M299 PolarHBondContact O-N 2.87Å; A296-V300 WeakPolarHBondContact O-CG2 3.09Å; A296-V300 PolarHBondContact O-N 3.36Å; A296-W605 HydrophobicContact CB-CH2 4.01Å; A296-W605 HydrophobicContact CB-CZ3 4.04Å
297K83.3Confident81.2Confident48 Ų4844 Ų4421%0.20924%0.243CC..Hα-helixtrans-61.2-47.6174.3177.8-173.4169.4-164.90111.1G293 D294 A295 M299 V300 L301 T518G293-K297 WeakPolarHBondContact O-CB 3.41Å; G293-K297 PolarHBondContact O-N 3.07Å; D294-K297 WeakPolarHBondContact O-CB 3.15Å; D294-K297 PolarHBondContact O-N 2.95Å; A295-K297 VanDerWaalsContact C-N 3.34Å; A295-K297 PolarHBondContact O-N 3.42Å; K297-M299 VanDerWaalsContact C-N 3.33Å; K297-M299 PolarHBondContact O-N 2.84Å; K297-V300 PolarHBondContact O-N 3.14Å; K297-L301 HydrophobicContact CD-CD1 4.43Å; K297-L301 HydrophobicContact CG-CD1 3.82Å; K297-L301 HydrophobicContact CG-CG 4.29Å; K297-L301 WeakPolarHBondContact O-CB 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.23Å; K297-L301 PolarHBondContact O-N 3.39Å; K297-T518 HydrophobicContact CB-CG2 3.59Å; K297-T518 HydrophobicContact CD-CG2 4.23Å; K297-T518 HydrophobicContact CG-CG2 3.68Å
298Q83.8Confident80Confident90 Ų9044.1 Ų44.142%0.42125%0.246SC..Hα-helixtrans-63.6-39.6180-67.8-60.9-14.600111.7D294 A295 L301 A302D294-Q298 WeakPolarHBondContact O-CG 3.27Å; D294-Q298 PolarHBondContact O-N 3.41Å; A295-Q298 PolarHBondContact O-N 3.43Å; Q298-L301 PolarHBondContact O-N 3.25Å; Q298-A302 VanDerWaalsContact O-CB 3.24Å; Q298-A302 WeakPolarHBondContact O-CB 3.38Å; Q298-A302 PolarHBondContact O-N 2.79Å
299M81.5Confident78.9Confident70 Ų7045.6 Ų45.635%0.34525%0.254SS..Hα-helixtrans-61.3-52.2174.7-174.9-177.272.900111.5A295 A296 K297 L301 A302 D303 W605A295-M299 WeakPolarHBondContact O-CB 3.39Å; A295-M299 PolarHBondContact O-N 2.81Å; A296-M299 PolarHBondContact O-N 2.87Å; K297-M299 VanDerWaalsContact C-N 3.33Å; K297-M299 PolarHBondContact O-N 2.84Å; M299-L301 VanDerWaalsContact C-N 3.29Å; M299-L301 PolarHBondContact O-N 2.88Å; M299-A302 PolarHBondContact O-N 2.76Å; M299-D303 PolarHBondContact O-N 3.38Å; M299-W605 HydrophobicContact CE-CZ2 4.12Å
300V81.4Confident78.4Confident52 Ų5244.8 Ų44.832%0.31525%0.25SC..Hα-helixtrans-61-39.7178.2172.10000111.3A296 K297 I304 V514A296-V300 WeakPolarHBondContact O-CG2 3.09Å; A296-V300 PolarHBondContact O-N 3.36Å; K297-V300 PolarHBondContact O-N 3.14Å; V300-I304 HydrophobicContact CG1-CD1 3.79Å; V300-I304 WeakPolarHBondContact O-CD1 3.26Å; V300-I304 WeakPolarHBondContact O-CG1 3.2Å; V300-I304 PolarHBondContact O-N 3.4Å; V300-V514 HydrophobicContact CG1-CG1 3.89Å
301L80.4Confident78.3Confident3 Ų343 Ų432%0.01624%0.239CC..Hα-helixtrans-67.9-43.7175.7-69.2176.2000111.5K297 Q298 M299 D303 I304 R305 L511 E515K297-L301 HydrophobicContact CD-CD1 4.43Å; K297-L301 HydrophobicContact CG-CD1 3.82Å; K297-L301 HydrophobicContact CG-CG 4.29Å; K297-L301 WeakPolarHBondContact O-CB 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.23Å; K297-L301 PolarHBondContact O-N 3.39Å; Q298-L301 PolarHBondContact O-N 3.25Å; M299-L301 VanDerWaalsContact C-N 3.29Å; M299-L301 PolarHBondContact O-N 2.88Å; L301-D303 VanDerWaalsContact C-N 3.3Å; L301-D303 PolarHBondContact O-N 3.48Å; L301-I304 PolarHBondContact O-N 3.48Å; L301-R305 VanDerWaalsContact O-CB 3.25Å; L301-R305 WeakPolarHBondContact O-CB 3.46Å; L301-R305 WeakPolarHBondContact O-CG 3.49Å; L301-R305 PolarHBondContact O-N 2.87Å; L301-L511 HydrophobicContact CD2-CD1 3.77Å; L301-E515 HydrophobicContact CD1-CG 4.2Å; L301-E515 HydrophobicContact CD2-CG 3.46Å; L301-E515 VanDerWaalsContact CD2-CG 3.46Å; L301-E515 HydrophobicContact CG-CG 4.47Å
302A79.7Confident78.4Confident54 Ų5442.9 Ų42.945%0.44624%0.238SC..Hα-helixtrans-59.1-43.6176.600000111.2Q298 M299 R305 S306Q298-A302 VanDerWaalsContact O-CB 3.24Å; Q298-A302 WeakPolarHBondContact O-CB 3.38Å; Q298-A302 PolarHBondContact O-N 2.79Å; M299-A302 PolarHBondContact O-N 2.76Å; A302-R305 PolarHBondContact O-N 3.48Å; A302-S306 WeakPolarHBondContact O-CB 3.27Å; A302-S306 PolarHBondContact O-N 3.4Å
303D76.3Confident78.5Confident86 Ų8641.6 Ų41.646%0.4623%0.23SC..Hα-helixtrans-61.8-46.2175.7-74-11.9000111.7M299 L301 S306M299-D303 PolarHBondContact O-N 3.38Å; L301-D303 VanDerWaalsContact C-N 3.3Å; L301-D303 PolarHBondContact O-N 3.48Å; D303-S306 WeakPolarHBondContact O-CB 3.32Å; D303-S306 PolarHBondContact O-N 2.85Å; D303-S306 PolarHBondContact O-OG 2.65Å
304I73.9Confident78.7Confident15 Ų1541 Ų418%0.07722%0.224CC..Hα-helixtrans-67.8-41.7177.6-65.1166.6000111V300 L301 S306 I307 L511 V514V300-I304 HydrophobicContact CG1-CD1 3.79Å; V300-I304 WeakPolarHBondContact O-CD1 3.26Å; V300-I304 WeakPolarHBondContact O-CG1 3.2Å; V300-I304 PolarHBondContact O-N 3.4Å; L301-I304 PolarHBondContact O-N 3.48Å; I304-S306 PolarHBondContact O-N 2.68Å; I304-I307 WeakPolarHBondContact O-CB 3.29Å; I304-I307 PolarHBondContact O-N 2.76Å; I304-L511 HydrophobicContact CB-CD1 4.03Å; I304-L511 HydrophobicContact CG2-CD1 3.51Å; I304-V514 HydrophobicContact CD1-CB 3.96Å; I304-V514 HydrophobicContact CD1-CG1 3.62Å; I304-V514 HydrophobicContact CD1-CG2 3.89Å
305R71.2Confident79Confident122 Ų12240.8 Ų40.846%0.4622%0.219SC..Hα-helixtrans-62-30.2177.6-70.1-175.4-179.9158.93111.6L301 A302 I307 G308 T309L301-R305 VanDerWaalsContact O-CB 3.25Å; L301-R305 WeakPolarHBondContact O-CB 3.46Å; L301-R305 WeakPolarHBondContact O-CG 3.49Å; L301-R305 PolarHBondContact O-N 2.87Å; A302-R305 PolarHBondContact O-N 3.48Å; R305-I307 PolarHBondContact O-N 2.83Å; R305-G308 PolarHBondContact O-N 3.01Å; R305-G308 VanDerWaalsContact O-N 3.13Å; R305-T309 HydrophobicContact CB-CG2 3.63Å; R305-T309 HydrophobicContact CG-CG2 3.4Å
306S68.4Low79.1Confident48 Ų4841.6 Ų41.634%0.33622%0.224SC..THydrogen-bonded Turntrans-66.1-20.6176.587.60000113.8A302 D303 I304 G308 K440A302-S306 WeakPolarHBondContact O-CB 3.27Å; A302-S306 PolarHBondContact O-N 3.4Å; D303-S306 WeakPolarHBondContact O-CB 3.32Å; D303-S306 PolarHBondContact O-N 2.85Å; D303-S306 PolarHBondContact O-OG 2.65Å; I304-S306 PolarHBondContact O-N 2.68Å; S306-G308 PolarHBondContact O-N 3.19Å; S306-K440 PolarHBondContact O-NZ 2.74Å
307I66.5Low79.1Confident69 Ų6940.3 Ų40.335%0.35421%0.213SC..THydrogen-bonded Turntrans-74.3-15.7176-54.4172.2000111I304 R305 Y380 M507I304-I307 WeakPolarHBondContact O-CB 3.29Å; I304-I307 PolarHBondContact O-N 2.76Å; R305-I307 PolarHBondContact O-N 2.83Å; I307-Y380 WeakPolarHBondContact O-CD1 3.37Å; I307-M507 HydrophobicContact CB-CE 3.97Å; I307-M507 HydrophobicContact CD1-CE 4.23Å; I307-M507 HydrophobicContact CG2-CE 3.31Å
308G63.8Low79Confident6 Ų644.6 Ų44.66%0.06223%0.232CC..THydrogen-bonded Turntrans113.3105.1-174.600000109.3R305 S306 T311R305-G308 PolarHBondContact O-N 3.01Å; R305-G308 VanDerWaalsContact O-N 3.13Å; S306-G308 PolarHBondContact O-N 3.19Å; G308-T311 PolarHBondContact O-OG1 3.34Å
309T65.7Low78.8Confident49 Ų4944.7 Ų44.730%0.30124%0.235SC..THydrogen-bonded Turntrans-81.1151170.244.50000110.9R305 T311 L511R305-T309 HydrophobicContact CB-CG2 3.63Å; R305-T309 HydrophobicContact CG-CG2 3.4Å; T309-T311 PolarHBondContact O-N 3.44Å; T309-L511 HydrophobicContact CG2-CD2 4.36Å
310N77.3Confident78.7Confident35 Ų3548.4 Ų48.419%0.18725%0.25CC..THydrogen-bonded Turntrans61.927.6175-49-8.4000113.3R475 V476 D508N310-R475 CarbonylContact O-C 3.5Å; N310-R475 WeakPolarHBondContact O-CA 3.34Å; N310-V476 HydrophobicContact CB-CB 4.18Å; N310-V476 PolarHBondContact O-N 2.84Å; N310-D508 PolarHBondContact N-OD1 2.77Å; N310-D508 PolarHBondContact OD1-OD1 3.17Å; N310-D508 PolarHBondContact OD1-OD2 3.22Å
311T81.6Confident78.5Confident7 Ų748.6 Ų48.64%0.04326%0.263CS..EExtended strand (participates in β ladder)trans-97.9136.3175.453.80000111.4G308 T309 V379 T473 V474 R475 M507G308-T311 PolarHBondContact O-OG1 3.34Å; T309-T311 PolarHBondContact O-N 3.44Å; T311-V379 HydrophobicContact CG2-CG1 3.94Å; T311-T473 HydrophobicContact CG2-CG2 4.06Å; T311-V474 CarbonylContact C-O 3.47Å; T311-V474 VanDerWaalsContact CA-O 3.31Å; T311-V474 WeakPolarHBondContact CA-O 3.33Å; T311-R475 HydrophobicContact CG2-CB 4.44Å; T311-M507 PolarHBondContact O-N 2.7Å
312I87.7Confident78.2Confident1 Ų150.3 Ų50.31%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-120113.2173.2-56168.3000107.1V474 V476 A485 E486 L489 T504 W505I312-V474 HydrophobicContact CB-CB 4.5Å; I312-V474 PolarHBondContact N-O 2.97Å; I312-V474 PolarHBondContact O-N 3.41Å; I312-V476 HydrophobicContact CD1-CG2 3.72Å; I312-V476 HydrophobicContact CG1-CG2 4.27Å; I312-A485 HydrophobicContact CD1-CB 3.98Å; I312-E486 HydrophobicContact CD1-CB 3.95Å; I312-L489 HydrophobicContact CB-CD2 4.35Å; I312-L489 HydrophobicContact CG2-CD2 3.88Å; I312-T504 HydrophobicContact CG2-CG2 4.08Å; I312-W505 WeakPolarHBondContact CA-O 3.24Å
313D88Confident77.8Confident12 Ų1253.9 Ų53.96%0.06428%0.283CS..EExtended strand (participates in β ladder)trans-88.2129173.9-70.5-33000109.9Y315 T473 T504 W505D313-Y315 HydrophobicContact CB-CD2 4.24Å; D313-Y315 HydrophobicContact CB-CE2 3.47Å; D313-Y315 VanDerWaalsContact CB-CE2 3.47Å; D313-Y315 PolarHBondContact OD2-OH 3.23Å; D313-T473 WeakPolarHBondContact OD1-CA 3.27Å; D313-T473 VanDerWaalsContact OD1-CB 3.22Å; D313-T473 WeakPolarHBondContact OD1-CB 3.5Å; D313-T473 VanDerWaalsContact OD1-CG2 3.26Å; D313-T473 WeakPolarHBondContact OD1-CG2 3.29Å; D313-T473 PolarHBondContact OD1-OG1 3.41Å; D313-T504 CarbonylContact O-C 3.56Å; D313-T504 VanDerWaalsContact O-CA 3.28Å; D313-T504 WeakPolarHBondContact O-CA 3.4Å; D313-W505 PolarHBondContact N-O 2.7Å; D313-W505 PolarHBondContact O-N 2.94Å
314V89.9Confident77.7Confident0 Ų052.9 Ų52.90%028%0.278CS..EExtended strand (participates in β ladder)trans-103.5122.2175.4-171.80000108.5L331 S471 I472 V474 L489 L493 F502 T504V314-L331 HydrophobicContact CG1-CD1 4.34Å; V314-L331 HydrophobicContact CG1-CD2 3.71Å; V314-L331 WeakPolarHBondContact O-CD1 3.42Å; V314-S471 CarbonylContact O-C 3.5Å; V314-S471 WeakPolarHBondContact O-CA 3.44Å; V314-S471 VanDerWaalsContact O-CB 3.24Å; V314-S471 WeakPolarHBondContact O-CB 3.33Å; V314-I472 HydrophobicContact CB-CB 4.33Å; V314-I472 PolarHBondContact N-O 3.47Å; V314-I472 PolarHBondContact O-N 3.45Å; V314-V474 HydrophobicContact CG2-CG2 4.38Å; V314-L489 HydrophobicContact CG2-CD2 3.73Å; V314-L489 HydrophobicContact CG2-CG 4.45Å; V314-L493 HydrophobicContact CG1-CD1 3.59Å; V314-L493 HydrophobicContact CG2-CD1 4.2Å; V314-F502 HydrophobicContact CG1-CB 4.07Å; V314-F502 HydrophobicContact CG1-CD2 4.01Å; V314-F502 HydrophobicContact CG1-CG 4.28Å; V314-T504 HydrophobicContact CG2-CG2 4.33Å
315Y89.2Confident77.4Confident55 Ų5556.2 Ų56.222%0.21630%0.301CS..EExtended strand (participates in β ladder)trans-116.7149178.1-66.9-77.1000110.7D313 F320 F502 F503 W505D313-Y315 HydrophobicContact CB-CD2 4.24Å; D313-Y315 HydrophobicContact CB-CE2 3.47Å; D313-Y315 VanDerWaalsContact CB-CE2 3.47Å; D313-Y315 PolarHBondContact OD2-OH 3.23Å; Y315-F320 HydrophobicContact CD1-CE1 4.46Å; Y315-F320 AromaticContact CD2-CE1 3.95Å; Y315-F320 HydrophobicContact CD2-CE1 3.95Å; Y315-F320 HydrophobicContact CD2-CZ 4.15Å; Y315-F320 HydrophobicContact CE1-CE1 4.37Å; Y315-F320 AromaticContact CE2-CE1 3.85Å; Y315-F320 HydrophobicContact CE2-CE1 3.85Å; Y315-F320 AromaticContact CE2-CZ 3.96Å; Y315-F320 HydrophobicContact CE2-CZ 3.96Å; Y315-F320 HydrophobicContact CG-CE1 4.27Å; Y315-F502 CarbonylContact O-C 3.54Å; Y315-F502 WeakPolarHBondContact O-CA 3.25Å; Y315-F502 VanDerWaalsContact O-CB 3.27Å; Y315-F502 WeakPolarHBondContact O-CB 3.29Å; Y315-F503 HydrophobicContact CD2-CD2 4.29Å; Y315-F503 AromaticContact CD2-CE2 3.62Å; Y315-F503 HydrophobicContact CD2-CE2 3.62Å; Y315-F503 AromaticContact CD2-CZ 3.93Å; Y315-F503 HydrophobicContact CD2-CZ 3.93Å; Y315-F503 HydrophobicContact CG-CE1 4.35Å; Y315-F503 AromaticContact CG-CE2 3.95Å; Y315-F503 HydrophobicContact CG-CE2 3.95Å; Y315-F503 AromaticContact CG-CZ 3.75Å; Y315-F503 HydrophobicContact CG-CZ 3.75Å; Y315-F503 PolarHBondContact N-O 3.21Å; Y315-F503 PolarHBondContact O-N 2.82Å; Y315-W505 HydrophobicContact CE2-CB 4.28Å
316P87.8Confident77.3Confident24 Ų2456.8 Ų56.816%0.15631%0.309CS..EExtended strand (participates in β ladder)trans-74.8156.9172.930.5-29.3000111Y327 L331 N470 F503P316-Y327 WeakPolarHBondContact CB-O 3.36Å; P316-L331 HydrophobicContact CB-CD1 4.31Å; P316-L331 HydrophobicContact CG-CD1 4.35Å; P316-N470 WeakPolarHBondContact CD-O 3.5Å; P316-F503 VanDerWaalsContact O-CE1 3.3Å; P316-F503 WeakPolarHBondContact O-CE1 3.37Å
317G84.6Confident77.5Confident1 Ų156.8 Ų56.81%0.0130%0.302CS..SBendtrans92.9-171.7-178.800000113.6D501 F502G317-D501 PolarHBondContact N-O 3.44Å; G317-D501 CarbonylContact O-C 3.59Å; G317-F502 CarbonylContact O-C 3.55Å; G317-F502 VanDerWaalsContact O-C 3.25Å; G317-F502 VanDerWaalsContact O-CA 3.29Å; G317-F502 WeakPolarHBondContact O-CA 3.4Å; G317-F502 PolarHBondContact O-N 3.01Å
318K79.6Confident77.8Confident137 Ų13757 Ų5760%0.59630%0.301SS*.SBendtrans-90.5-36.4175.6-69.1174.8-175.4163.40113.1D322 F503K318-D322 PolarHBondContact N-OD2 3.03Å; K318-F503 WeakPolarHBondContact O-CB 3.47Å
319D81.2Confident78.5Confident92 Ų9261.7 Ų61.749%0.49232%0.321SS..SBendtrans-155.6-179.7177.960.229.9000109.9G321 D322 F503D319-G321 PolarHBondContact O-N 2.88Å; D319-G321 VanDerWaalsContact O-N 3.08Å; D319-G321 WeakPolarHBondContact OD1-CA 3.44Å; D319-G321 PolarHBondContact OD1-N 2.92Å; D319-D322 PolarHBondContact O-N 3.32Å; D319-D322 PolarHBondContact OD1-N 3.16Å; D319-F503 WeakPolarHBondContact O-CE1 3.41Å
320F77.6Confident79.2Confident148 Ų14859.9 Ų59.965%0.64931%0.312SS*.THydrogen-bonded Turntrans-64.1-9.2-179.9-67.1-74000114.5Y315 F503Y315-F320 HydrophobicContact CD1-CE1 4.46Å; Y315-F320 AromaticContact CD2-CE1 3.95Å; Y315-F320 HydrophobicContact CD2-CE1 3.95Å; Y315-F320 HydrophobicContact CD2-CZ 4.15Å; Y315-F320 HydrophobicContact CE1-CE1 4.37Å; Y315-F320 AromaticContact CE2-CE1 3.85Å; Y315-F320 HydrophobicContact CE2-CE1 3.85Å; Y315-F320 AromaticContact CE2-CZ 3.96Å; Y315-F320 HydrophobicContact CE2-CZ 3.96Å; Y315-F320 HydrophobicContact CG-CE1 4.27Å; F320-F503 HydrophobicContact CD1-CE2 4.03Å; F320-F503 AromaticContact CD1-CZ 3.66Å; F320-F503 HydrophobicContact CD1-CZ 3.66Å; F320-F503 AromaticContact CD2-CE2 3.94Å; F320-F503 HydrophobicContact CD2-CE2 3.94Å; F320-F503 HydrophobicContact CD2-CZ 4.16Å; F320-F503 AromaticContact CE1-CE2 3.8Å; F320-F503 HydrophobicContact CE1-CE2 3.8Å; F320-F503 AromaticContact CE1-CZ 3.81Å; F320-F503 HydrophobicContact CE1-CZ 3.81Å; F320-F503 AromaticContact CE2-CE2 3.72Å; F320-F503 HydrophobicContact CE2-CE2 3.72Å; F320-F503 HydrophobicContact CE2-CZ 4.3Å; F320-F503 HydrophobicContact CG-CE2 4.1Å; F320-F503 AromaticContact CG-CZ 3.84Å; F320-F503 HydrophobicContact CG-CZ 3.84Å; F320-F503 AromaticContact CZ-CE2 3.65Å; F320-F503 HydrophobicContact CZ-CE2 3.65Å; F320-F503 HydrophobicContact CZ-CZ 4.14Å
321G77.2Confident79.6Confident57 Ų5758.2 Ų58.259%0.58830%0.303SS*.THydrogen-bonded Turntrans-105.54.5179.700000114.2D319 D323D319-G321 PolarHBondContact O-N 2.88Å; D319-G321 VanDerWaalsContact O-N 3.08Å; D319-G321 WeakPolarHBondContact OD1-CA 3.44Å; D319-G321 PolarHBondContact OD1-N 2.92Å; G321-D323 PolarHBondContact O-N 3.5Å
322D74.5Confident79.8Confident38 Ų3863.2 Ų63.220%0.20332%0.324CS..  trans-82.1108-178.3-161.2-0.6000111.2K318 D319 D324K318-D322 PolarHBondContact N-OD2 3.03Å; D319-D322 PolarHBondContact O-N 3.32Å; D319-D322 PolarHBondContact OD1-N 3.16Å; D322-D324 PolarHBondContact OD1-N 3.19Å
323D72.5Confident79.6Confident130 Ų13065.4 Ų65.470%0.69533%0.332SS*.  trans-94.64.5-177-76-29.8000113.6G321 P325G321-D323 PolarHBondContact O-N 3.5Å; D323-P325 WeakPolarHBondContact O-CD 3.47Å; D323-P325 VanDerWaalsContact O-N 3.1Å
324D73.6Confident79.5Confident65 Ų6569.6 Ų69.635%0.34836%0.355SS..  trans-63.5114.7-178.7-173.9-20.9000110.6D322 Q326 Y327 Q328D322-D324 PolarHBondContact OD1-N 3.19Å; D324-Q326 PolarHBondContact O-N 2.98Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.05Å; D324-Q326 PolarHBondContact OD1-N 2.96Å; D324-Y327 HydrophobicContact CB-CD2 3.64Å; D324-Y327 HydrophobicContact CB-CE2 4.39Å; D324-Y327 HydrophobicContact CB-CG 4.48Å; D324-Y327 VanDerWaalsContact CG-CD2 3.5Å; D324-Y327 PolarHBondContact O-N 3.1Å; D324-Y327 WeakPolarHBondContact OD2-CD2 3.48Å; D324-Y327 WeakPolarHBondContact OD2-CE2 3.49Å; D324-Q328 PolarHBondContact O-N 3.13Å; D324-Q328 VanDerWaalsContact O-N 3.14Å
325P67.9Low79.5Confident85 Ų8570 Ų7055%0.55236%0.357SS*.Hα-helixtrans-58.8-26.7-176.2-23.333.6000113.2D323 Y327D323-P325 WeakPolarHBondContact O-CD 3.47Å; D323-P325 VanDerWaalsContact O-N 3.1Å; P325-Y327 VanDerWaalsContact C-N 3.34Å
326Q69.3Low79.4Confident134 Ų13467.7 Ų67.763%0.62635%0.348SS*.Hα-helixtrans-71.6-32.6179.1-166.6177.911.400111.8D324D324-Q326 PolarHBondContact O-N 2.98Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.05Å; D324-Q326 PolarHBondContact OD1-N 2.96Å
327Y72.8Confident79.4Confident48 Ų4870.8 Ų70.819%0.18836%0.362CS..Hα-helixtrans-78.6-37.3176.9-75.6-92.8000111.5P316 D324 P325 Q329 A330 D501P316-Y327 WeakPolarHBondContact CB-O 3.36Å; D324-Y327 HydrophobicContact CB-CD2 3.64Å; D324-Y327 HydrophobicContact CB-CE2 4.39Å; D324-Y327 HydrophobicContact CB-CG 4.48Å; D324-Y327 VanDerWaalsContact CG-CD2 3.5Å; D324-Y327 PolarHBondContact O-N 3.1Å; D324-Y327 WeakPolarHBondContact OD2-CD2 3.48Å; D324-Y327 WeakPolarHBondContact OD2-CE2 3.49Å; P325-Y327 VanDerWaalsContact C-N 3.34Å; Y327-Q329 PolarHBondContact O-N 3.46Å; Y327-A330 WeakPolarHBondContact O-CB 3.31Å; Y327-A330 PolarHBondContact O-N 3.31Å; Y327-D501 HydrophobicContact CD1-CB 3.38Å; Y327-D501 HydrophobicContact CE1-CB 3.56Å
328Q72.2Confident79.7Confident73 Ų7371.4 Ų71.434%0.34137%0.367SS..Hα-helixtrans-56.3-24.2179.1-69.8-179-3.500113.7D324D324-Q328 PolarHBondContact O-N 3.13Å; D324-Q328 VanDerWaalsContact O-N 3.14Å
329Q78.9Confident80.2Confident104 Ų10464.9 Ų64.949%0.48634%0.339SS..THydrogen-bonded Turntrans-101.411.7-179-55.7-176.47.700114Y327 W468Y327-Q329 PolarHBondContact O-N 3.46Å; Q329-W468 HydrophobicContact CB-CB 4.14Å; Q329-W468 HydrophobicContact CB-CD2 4.41Å; Q329-W468 HydrophobicContact CB-CG 3.93Å; Q329-W468 HydrophobicContact CG-CD2 4.01Å; Q329-W468 HydrophobicContact CG-CG 3.9Å
330A80.7Confident80.6Confident12 Ų1265 Ų6510%0.09934%0.337CS..  trans-67-37.2-174.400000113.7Y327 K332 H497 D501Y327-A330 WeakPolarHBondContact O-CB 3.31Å; Y327-A330 PolarHBondContact O-N 3.31Å; A330-K332 PolarHBondContact O-N 3.15Å; A330-H497 PolarHBondContact O-CE1 2.84Å; A330-D501 HydrophobicContact CB-CB 4.13Å; A330-D501 VanDerWaalsContact CB-OD2 3.29Å; A330-D501 WeakPolarHBondContact CB-OD2 3.48Å
331L85.6Confident81.3Confident0 Ų065.7 Ų65.70%034%0.34CS..  trans-80.9117.8-175.2-69.3168.8000111.6V314 P316 W468 L469 I472V314-L331 HydrophobicContact CG1-CD1 4.34Å; V314-L331 HydrophobicContact CG1-CD2 3.71Å; V314-L331 WeakPolarHBondContact O-CD1 3.42Å; P316-L331 HydrophobicContact CB-CD1 4.31Å; P316-L331 HydrophobicContact CG-CD1 4.35Å; L331-W468 CarbonylContact O-C 3.55Å; L331-W468 VanDerWaalsContact O-CA 3.26Å; L331-W468 WeakPolarHBondContact O-CA 3.46Å; L331-L469 HydrophobicContact CB-CB 4.3Å; L331-L469 WeakPolarHBondContact O-CD1 3.45Å; L331-L469 PolarHBondContact O-N 3.29Å; L331-I472 HydrophobicContact CD2-CD1 4.2Å
332K86Confident82Confident112 Ų11265 Ų6549%0.48732%0.321SS..BIsolated β-bridgetrans-112.9162.3179.8-64.7178.2-179.4174.10112.4A330 D334 D335A330-K332 PolarHBondContact O-N 3.15Å; K332-D334 PolarHBondContact O-N 2.69Å; K332-D335 WeakPolarHBondContact CB-OD2 3.37Å; K332-D335 PolarHBondContact N-OD2 3.38Å; K332-D335 WeakPolarHBondContact O-CB 3.5Å; K332-D335 PolarHBondContact O-N 3.43Å
333Y82.5Confident82.8Confident46 Ų4668.1 Ų68.118%0.1834%0.343CS..Hα-helixtrans-61.2-28.7176.2-68.9-70.8000113D335 L336 I337 Y456 S460 S467 L469Y333-D335 PolarHBondContact O-N 3.22Å; Y333-L336 WeakPolarHBondContact O-CB 3.23Å; Y333-L336 PolarHBondContact O-N 3.05Å; Y333-I337 PolarHBondContact O-N 2.97Å; Y333-Y456 HydrophobicContact CD1-CD2 4.05Å; Y333-Y456 AromaticContact CD1-CE2 3.77Å; Y333-Y456 HydrophobicContact CD1-CE2 3.77Å; Y333-Y456 AromaticContact CE1-CD2 3.39Å; Y333-Y456 HydrophobicContact CE1-CD2 3.39Å; Y333-Y456 AromaticContact CE1-CE2 3.6Å; Y333-Y456 HydrophobicContact CE1-CE2 3.6Å; Y333-Y456 HydrophobicContact CE1-CG 4.48Å; Y333-S460 WeakPolarHBondContact OH-CB 3.31Å; Y333-S460 PolarHBondContact OH-OG 2.86Å; Y333-S467 WeakPolarHBondContact CD2-O 3.16Å; Y333-L469 HydrophobicContact CD1-CD1 3.85Å; Y333-L469 HydrophobicContact CD1-CD2 4Å; Y333-L469 HydrophobicContact CD1-CG 4.22Å; Y333-L469 HydrophobicContact CD2-CD1 4.27Å; Y333-L469 HydrophobicContact CE1-CD1 3.92Å; Y333-L469 HydrophobicContact CE1-CD2 3.56Å; Y333-L469 HydrophobicContact CE1-CG 3.78Å; Y333-L469 HydrophobicContact CE2-CD1 4.36Å; Y333-L469 HydrophobicContact CG-CD1 4Å; Y333-L469 VanDerWaalsContact N-CD1 3.32Å
334D86.3Confident83.7Confident100 Ų10064.3 Ų64.354%0.53532%0.319SS..Hα-helixtrans-66.8-27.3176.4-65.5-30.2000112.5K332 I337 A338 R496K332-D334 PolarHBondContact O-N 2.69Å; D334-I337 PolarHBondContact O-N 2.99Å; D334-A338 PolarHBondContact O-N 3.39Å; D334-R496 PolarHBondContact O-NH2 3.46Å
335D89.2Confident84.5Confident8 Ų862 Ų624%0.04331%0.308CS..Hα-helixtrans-73.1-37.8178-54.9-43.9000110.6K332 Y333 I337 A338 I339 L493 R496 H497K332-D335 WeakPolarHBondContact CB-OD2 3.37Å; K332-D335 PolarHBondContact N-OD2 3.38Å; K332-D335 WeakPolarHBondContact O-CB 3.5Å; K332-D335 PolarHBondContact O-N 3.43Å; Y333-D335 PolarHBondContact O-N 3.22Å; D335-I337 VanDerWaalsContact C-N 3.3Å; D335-I337 PolarHBondContact O-N 3.1Å; D335-A338 PolarHBondContact O-N 2.98Å; D335-A338 VanDerWaalsContact O-N 3.14Å; D335-I339 WeakPolarHBondContact O-CG1 3.31Å; D335-I339 PolarHBondContact O-N 2.9Å; D335-L493 HydrophobicContact CB-CD2 4.03Å; D335-R496 IonicContact OD1-CZ 3.88Å; D335-R496 IonicContact OD1-NE 3.32Å; D335-R496 PolarHBondContact OD1-NE 3.33Å; D335-R496 IonicContact OD1-NH2 3.47Å; D335-R496 PolarHBondContact OD1-NH2 3.18Å; D335-H497 IonicContact OD1-NE2 2.78Å; D335-H497 IonicContact OD2-NE2 3.88Å; D335-H497 PolarHBondContact OD2-NE2 2.85Å
336L87.5Confident85.3Confident8 Ų860.5 Ų60.54%0.04230%0.302CS..Hα-helixtrans-55.3-45.3171.217871.7000111.7Y333 A338 I339 Q340 A348 P350 I472Y333-L336 WeakPolarHBondContact O-CB 3.23Å; Y333-L336 PolarHBondContact O-N 3.05Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 3.35Å; L336-I339 PolarHBondContact O-N 3.13Å; L336-Q340 WeakPolarHBondContact O-CB 3.45Å; L336-Q340 PolarHBondContact O-N 3.3Å; L336-A348 HydrophobicContact CD1-CB 3.7Å; L336-P350 HydrophobicContact CD2-CB 4.06Å; L336-P350 HydrophobicContact CD2-CG 3.69Å; L336-I472 HydrophobicContact CB-CD1 4.34Å; L336-I472 HydrophobicContact CD1-CG2 3.84Å
337I87.5Confident86.1Confident88 Ų8854.4 Ų54.445%0.45127%0.274SS..Hα-helixtrans-63.1-39.9179.4-61.7170.7000110.7Y333 D334 D335 K341Y333-I337 PolarHBondContact O-N 2.97Å; D334-I337 PolarHBondContact O-N 2.99Å; D335-I337 VanDerWaalsContact C-N 3.3Å; D335-I337 PolarHBondContact O-N 3.1Å; I337-K341 WeakPolarHBondContact O-CG 3.33Å; I337-K341 PolarHBondContact O-N 3.25Å
338A90.9Very high86.7Confident14 Ų1452.2 Ų52.212%0.11627%0.266CS..Hα-helixtrans-69.5-37.1178.500000112.7D334 D335 L336 Q342D334-A338 PolarHBondContact O-N 3.39Å; D335-A338 PolarHBondContact O-N 2.98Å; D335-A338 VanDerWaalsContact O-N 3.14Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 3.35Å; A338-Q342 PolarHBondContact O-NE2 3.46Å; A338-Q342 VanDerWaalsContact O-NE2 3.07Å
339I91.1Very high87.4Confident0 Ų048.7 Ų48.70%025%0.25CC..Hα-helixtrans-66.6-46.7175-67168.1000110.2D335 L336 K341 Q342 V345 A348 I472 V474 L489 L492 L493D335-I339 WeakPolarHBondContact O-CG1 3.31Å; D335-I339 PolarHBondContact O-N 2.9Å; L336-I339 PolarHBondContact O-N 3.13Å; I339-K341 PolarHBondContact O-N 3.46Å; I339-Q342 WeakPolarHBondContact O-CB 3.41Å; I339-Q342 WeakPolarHBondContact O-CG 3.32Å; I339-Q342 PolarHBondContact O-N 2.98Å; I339-V345 HydrophobicContact CG2-CG2 4.26Å; I339-A348 HydrophobicContact CG2-CB 3.97Å; I339-I472 HydrophobicContact CD1-CD1 4.11Å; I339-I472 HydrophobicContact CD1-CG2 4.12Å; I339-V474 HydrophobicContact CD1-CG2 4.46Å; I339-V474 HydrophobicContact CG2-CB 4.4Å; I339-V474 HydrophobicContact CG2-CG1 3.83Å; I339-V474 HydrophobicContact CG2-CG2 3.62Å; I339-L489 HydrophobicContact CB-CD1 4.44Å; I339-L489 HydrophobicContact CD1-CD1 3.98Å; I339-L489 HydrophobicContact CG1-CD1 3.68Å; I339-L489 HydrophobicContact CG2-CD1 4.02Å; I339-L492 HydrophobicContact CG1-CD2 4.35Å; I339-L493 HydrophobicContact CD1-CD2 4.18Å; I339-L493 HydrophobicContact CG1-CD2 4.48Å
340Q89.1Confident87.9Confident94 Ų9443.8 Ų43.844%0.43923%0.227SC..Hα-helixtrans-66.8-21.6-177.2-165.4169.417.500113.1L336 Q342 A348L336-Q340 WeakPolarHBondContact O-CB 3.45Å; L336-Q340 PolarHBondContact O-N 3.3Å; Q340-Q342 VanDerWaalsContact C-N 3.27Å; Q340-Q342 PolarHBondContact O-N 3.13Å; Q340-A348 HydrophobicContact CB-CB 4.48Å
341K91.4Very high88.2Confident164 Ų16444.1 Ų44.171%0.71323%0.23SC*.THydrogen-bonded Turntrans-75-10.9173.2-78.2178.9-179.6-178.20114I337 I339I337-K341 WeakPolarHBondContact O-CG 3.33Å; I337-K341 PolarHBondContact O-N 3.25Å; I339-K341 PolarHBondContact O-N 3.46Å
342Q92.4Very high88.4Confident43 Ų4344.2 Ų44.220%0.20123%0.23CC..SBendtrans-73.9133.4-178.2-59.9-51.4-47.900111.4A338 I339 Q340 W344 V345 L492A338-Q342 PolarHBondContact O-NE2 3.46Å; A338-Q342 VanDerWaalsContact O-NE2 3.07Å; I339-Q342 WeakPolarHBondContact O-CB 3.41Å; I339-Q342 WeakPolarHBondContact O-CG 3.32Å; I339-Q342 PolarHBondContact O-N 2.98Å; Q340-Q342 VanDerWaalsContact C-N 3.27Å; Q340-Q342 PolarHBondContact O-N 3.13Å; Q342-W344 VanDerWaalsContact C-N 3.26Å; Q342-W344 HydrophobicContact CB-CD2 4.08Å; Q342-W344 HydrophobicContact CB-CH2 4.25Å; Q342-W344 HydrophobicContact CB-CZ2 3.79Å; Q342-W344 HydrophobicContact CG-CH2 4.29Å; Q342-W344 HydrophobicContact CG-CZ2 3.77Å; Q342-W344 PolarHBondContact O-N 3.2Å; Q342-V345 HydrophobicContact CB-CB 4.44Å; Q342-V345 HydrophobicContact CB-CG2 3.86Å; Q342-V345 PolarHBondContact O-N 2.9Å; Q342-V345 VanDerWaalsContact O-N 3.08Å; Q342-L492 HydrophobicContact CG-CD2 3.78Å
343P91.2Very high88.5Confident103 Ų10341.5 Ų41.567%0.66923%0.225SC*.THydrogen-bonded Turntrans-62.1-26.9-175.4-25.234.1000115.6V345P343-V345 VanDerWaalsContact C-N 3.33Å
344W91.2Very high88.7Confident50 Ų5042.6 Ų42.619%0.18923%0.232CC..THydrogen-bonded Turntrans-85-4.6179.456.185.5000113.4Q342 K477 F480 Q488Q342-W344 VanDerWaalsContact C-N 3.26Å; Q342-W344 HydrophobicContact CB-CD2 4.08Å; Q342-W344 HydrophobicContact CB-CH2 4.25Å; Q342-W344 HydrophobicContact CB-CZ2 3.79Å; Q342-W344 HydrophobicContact CG-CH2 4.29Å; Q342-W344 HydrophobicContact CG-CZ2 3.77Å; Q342-W344 PolarHBondContact O-N 3.2Å; W344-K477 WeakPolarHBondContact O-CB 3.23Å; W344-K477 PolarHBondContact O-N 3.03Å; W344-F480 HydrophobicContact CB-CD1 3.89Å; W344-F480 HydrophobicContact CB-CD2 3.96Å; W344-F480 HydrophobicContact CB-CE1 3.98Å; W344-F480 HydrophobicContact CB-CE2 4.06Å; W344-F480 HydrophobicContact CB-CG 3.87Å; W344-F480 HydrophobicContact CB-CZ 4.07Å; W344-F480 HydrophobicContact CD2-CZ 4.49Å; W344-F480 HydrophobicContact CG-CD1 4.4Å; W344-F480 HydrophobicContact CG-CE1 4.11Å; W344-F480 HydrophobicContact CG-CZ 4.26Å; W344-Q488 HydrophobicContact CH2-CB 4.17Å; W344-Q488 HydrophobicContact CZ2-CB 3.61Å; W344-Q488 HydrophobicContact CZ2-CG 4.35Å
345V90Very high88.9Confident17 Ų1744 Ų4410%0.10324%0.24CC..EExtended strand (participates in β ladder)trans-91.4120.2178.2175.30000109I339 Q342 P343 A348 V474I339-V345 HydrophobicContact CG2-CG2 4.26Å; Q342-V345 HydrophobicContact CB-CB 4.44Å; Q342-V345 HydrophobicContact CB-CG2 3.86Å; Q342-V345 PolarHBondContact O-N 2.9Å; Q342-V345 VanDerWaalsContact O-N 3.08Å; P343-V345 VanDerWaalsContact C-N 3.33Å; V345-A348 HydrophobicContact CG1-CB 4.18Å; V345-V474 HydrophobicContact CB-CG1 4.34Å; V345-V474 HydrophobicContact CG1-CG1 3.8Å; V345-V474 HydrophobicContact CG2-CG1 3.64Å
346A86.4Confident89Confident53 Ų5345 Ų4544%0.43824%0.244SC..EExtended strand (participates in β ladder)trans-78-43.2173.300000111.4R475 K477A346-R475 PolarHBondContact N-O 3.41Å; A346-K477 HydrophobicContact CB-CB 4.31Å
347S84.3Confident89.2Confident5 Ų552 Ų524%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-158.5148.4175.7510000110V379 R475S347-V379 WeakPolarHBondContact OG-CG2 3.39Å; S347-R475 PolarHBondContact N-O 2.97Å; S347-R475 PolarHBondContact O-N 2.89Å; S347-R475 PolarHBondContact OG-NE 3.49Å; S347-R475 PolarHBondContact OG-NH2 3.43Å
348A87.3Confident89.4Confident2 Ų247.8 Ų47.82%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-129.9130.9173.700000108.5L336 I339 Q340 V345 T473 V474L336-A348 HydrophobicContact CD1-CB 3.7Å; I339-A348 HydrophobicContact CG2-CB 3.97Å; Q340-A348 HydrophobicContact CB-CB 4.48Å; V345-A348 HydrophobicContact CG1-CB 4.18Å; A348-T473 CarbonylContact C-O 3.58Å; A348-T473 WeakPolarHBondContact CA-O 3.36Å; A348-V474 HydrophobicContact CB-CG2 4.46Å
349T86.3Confident89.5Confident0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-123.3124.2-177.161.30000110.6D375 V379 T473T349-D375 HydrophobicContact CG2-CB 3.94Å; T349-V379 HydrophobicContact CG2-CG2 4.02Å; T349-T473 PolarHBondContact N-O 3.49Å; T349-T473 PolarHBondContact O-N 3.3Å
350P89.6Confident89.4Confident1 Ų153.8 Ų53.81%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-69.5145.917029.9-32000110.3L336 Y456 L469L336-P350 HydrophobicContact CD2-CB 4.06Å; L336-P350 HydrophobicContact CD2-CG 3.69Å; P350-Y456 HydrophobicContact CB-CG 4.37Å; P350-Y456 HydrophobicContact CG-CD1 3.3Å; P350-Y456 HydrophobicContact CG-CD2 3.97Å; P350-Y456 HydrophobicContact CG-CE1 3.52Å; P350-Y456 HydrophobicContact CG-CE2 4.19Å; P350-Y456 HydrophobicContact CG-CG 3.53Å; P350-L469 HydrophobicContact CB-CD2 3.01Å; P350-L469 HydrophobicContact CG-CD2 4.34Å
351A86.9Confident89.4Confident19 Ų1955.7 Ų55.716%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-128.1127.5170.100000110N470 S471A351-N470 PolarHBondContact O-N 3.37Å; A351-N470 VanDerWaalsContact O-N 3.13Å; A351-S471 PolarHBondContact N-O 2.92Å; A351-S471 PolarHBondContact O-N 3.47Å; A351-S471 VanDerWaalsContact O-N 3.13Å
352V89.2Confident89.2Confident1 Ų156 Ų561%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-129.4135.3168.162.90000107.7N370 G371 M459 M464V352-N370 CarbonylContact O-C 3.58Å; V352-N370 WeakPolarHBondContact O-CA 3.29Å; V352-G371 PolarHBondContact N-O 3.14Å; V352-G371 PolarHBondContact O-N 2.88Å; V352-M459 HydrophobicContact CG1-CB 4.19Å; V352-M459 HydrophobicContact CG1-CG 3.9Å; V352-M459 HydrophobicContact CG1-SD 4.18Å; V352-M464 HydrophobicContact CG2-CE 3.84Å; V352-M464 HydrophobicContact CG2-SD 3.33Å; V352-M464 WeakPolarHBondContact CG2-SD 3.44Å
353S88.2Confident89Confident55 Ų5556.1 Ų56.139%0.38530%0.295SS..EExtended strand (participates in β ladder)trans-130.4140.1-177.356.90000110.5A369 N370 N470S353-A369 WeakPolarHBondContact CA-O 3.29Å; S353-N370 WeakPolarHBondContact CB-OD1 3.29Å; S353-N470 PolarHBondContact N-ND2 2.96Å; S353-N470 PolarHBondContact O-ND2 3.47Å; S353-N470 PolarHBondContact OG-ND2 2.89Å; S353-N470 VanDerWaalsContact OG-ND2 3.08Å
354Q87.8Confident89Confident69 Ų6954.5 Ų54.532%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-149.1136.7176-164-17918.400109.7L356 A369 M459 M464Q354-L356 HydrophobicContact CB-CG 4.48Å; Q354-L356 HydrophobicContact CG-CD2 4.25Å; Q354-L356 HydrophobicContact CG-CG 4.4Å; Q354-L356 PolarHBondContact O-N 2.86Å; Q354-A369 PolarHBondContact N-O 3.1Å; Q354-A369 PolarHBondContact O-N 3.4Å; Q354-M459 HydrophobicContact CB-CE 3.39Å; Q354-M459 VanDerWaalsContact N-CE 3.31Å; Q354-M464 HydrophobicContact CB-CE 4.11Å; Q354-M464 HydrophobicContact CB-SD 4.18Å; Q354-M464 HydrophobicContact CG-CE 4.34Å
355N90Very high88.9Confident131 Ų13153.5 Ų53.570%0.70128%0.28SS*.EExtended strand (participates in β ladder)trans-78119.7172.5-67.8-29000109.4
356L90.9Very high89Confident27 Ų2756.2 Ų56.214%0.14130%0.304CS..EExtended strand (participates in β ladder)trans-128.8156.9-179-64.3172.9000109.8Q354 A367 A369 V426 V463Q354-L356 HydrophobicContact CB-CG 4.48Å; Q354-L356 HydrophobicContact CG-CD2 4.25Å; Q354-L356 HydrophobicContact CG-CG 4.4Å; Q354-L356 PolarHBondContact O-N 2.86Å; L356-A367 PolarHBondContact N-O 3.11Å; L356-A367 PolarHBondContact O-N 3.43Å; L356-A369 HydrophobicContact CD1-CB 3.78Å; L356-A369 HydrophobicContact CG-CB 4.38Å; L356-V426 HydrophobicContact CD1-CG1 3.88Å; L356-V463 HydrophobicContact CD1-CG1 3.58Å; L356-V463 HydrophobicContact CD2-CG1 4.39Å
357R92.3Very high89.2Confident155 Ų15553.9 Ų53.959%0.58529%0.285SS*.EExtended strand (participates in β ladder)trans-84.6130.9170.5-70.3-167.8179.8-161.62.4110D364 G427R357-D364 IonicContact NH1-OD2 3.77Å; R357-G427 WeakPolarHBondContact O-CA 3.27Å; R357-G427 PolarHBondContact O-N 2.9Å
358L92.1Very high89.5Confident0 Ų054.8 Ų54.80%029%0.291CS..EExtended strand (participates in β ladder)trans-100.3125.7172.2-85.271.2000109.3D364 V365 A367 L404 T408 L412 I424 L425 V426 V452L358-D364 WeakPolarHBondContact O-CA 3.21Å; L358-V365 HydrophobicContact CB-CG2 4.3Å; L358-V365 PolarHBondContact N-O 3.43Å; L358-V365 PolarHBondContact O-N 3.1Å; L358-A367 HydrophobicContact CD1-CB 3.46Å; L358-A367 VanDerWaalsContact CD1-CB 3.46Å; L358-A367 HydrophobicContact CD2-CB 4.26Å; L358-A367 HydrophobicContact CG-CB 4.37Å; L358-L404 HydrophobicContact CD2-CD2 4.46Å; L358-T408 HydrophobicContact CD2-CG2 4.01Å; L358-L412 HydrophobicContact CD2-CD1 4.05Å; L358-I424 HydrophobicContact CD2-CD1 3.89Å; L358-L425 CarbonylContact C-O 3.59Å; L358-L425 VanDerWaalsContact CA-O 3.27Å; L358-L425 WeakPolarHBondContact CA-O 3.39Å; L358-V426 HydrophobicContact CD1-CG1 4.42Å; L358-V426 HydrophobicContact CG-CG2 4.36Å; L358-V452 HydrophobicContact CD1-CG2 4.21Å; L358-V452 HydrophobicContact CD2-CG1 4.49Å; L358-V452 HydrophobicContact CD2-CG2 3.41Å; L358-V452 VanDerWaalsContact CD2-CG2 3.41Å; L358-V452 HydrophobicContact CG-CG2 4.41Å
359R91.8Very high89.7Confident110 Ų11054.7 Ų54.742%0.41529%0.291SS..EExtended strand (participates in β ladder)trans-118.9129178.4-65175.5175.4163.2-0.3110.6V363 D364 L425R359-V363 WeakPolarHBondContact CA-O 3.26Å; R359-D364 HydrophobicContact CG-CB 4.12Å; R359-D364 IonicContact CZ-OD2 3.64Å; R359-D364 IonicContact NE-OD2 2.91Å; R359-D364 PolarHBondContact NE-OD2 3.15Å; R359-D364 IonicContact NH2-OD2 3.88Å; R359-D364 PolarHBondContact NH2-OD2 2.78Å; R359-L425 HydrophobicContact CB-CB 4.19Å; R359-L425 PolarHBondContact N-O 3.18Å; R359-L425 PolarHBondContact O-N 3.09Å
360Y90.1Very high89.9Confident31 Ų3156 Ų5612%0.12230%0.298CS..EExtended strand (participates in β ladder)trans-145117.5171.7177.6-106.3000109.1N362 V363 F413 V423 I424Y360-N362 PolarHBondContact O-N 2.92Å; Y360-V363 PolarHBondContact N-O 3.03Å; Y360-V363 PolarHBondContact O-N 3.24Å; Y360-F413 HydrophobicContact CD1-CD1 4.33Å; Y360-F413 AromaticContact CD1-CE1 3.87Å; Y360-F413 HydrophobicContact CD1-CE1 3.87Å; Y360-F413 HydrophobicContact CD1-CZ 4.26Å; Y360-F413 HydrophobicContact CD2-CE1 4.32Å; Y360-F413 HydrophobicContact CD2-CZ 4.35Å; Y360-F413 AromaticContact CE1-CD1 3.76Å; Y360-F413 HydrophobicContact CE1-CD1 3.76Å; Y360-F413 AromaticContact CE1-CE1 3.38Å; Y360-F413 HydrophobicContact CE1-CE1 3.38Å; Y360-F413 HydrophobicContact CE1-CZ 4.18Å; Y360-F413 AromaticContact CE2-CE1 3.88Å; Y360-F413 HydrophobicContact CE2-CE1 3.88Å; Y360-F413 HydrophobicContact CE2-CZ 4.28Å; Y360-F413 HydrophobicContact CG-CE1 4.31Å; Y360-F413 HydrophobicContact CG-CZ 4.34Å; Y360-F413 AromaticContact CZ-CE1 3.39Å; Y360-V423 WeakPolarHBondContact CD2-O 3.45Å; Y360-I424 HydrophobicContact CD2-CG2 3.9Å; Y360-I424 HydrophobicContact CG-CG2 4.16Å
361N87.3Confident90Very high134 Ų13456 Ų5672%0.71730%0.297SS*.THydrogen-bonded Turntrans48.5-107.6-173.5-63-32.9000112.1
362N88Confident90.1Very high169 Ų16955.1 Ų55.190%0.90429%0.29SS*.THydrogen-bonded Turntrans-100.72.3-177-61.6-6.5000113.5Y360Y360-N362 PolarHBondContact O-N 2.92Å
363V88.1Confident90Very high47 Ų4755.7 Ų55.729%0.28529%0.294SS..EExtended strand (participates in β ladder)trans-102.7122.7-178.7-173.90000109.5R359 Y360 V365 L412R359-V363 WeakPolarHBondContact CA-O 3.26Å; Y360-V363 PolarHBondContact N-O 3.03Å; Y360-V363 PolarHBondContact O-N 3.24Å; V363-V365 HydrophobicContact CG1-CG1 3.92Å; V363-L412 HydrophobicContact CB-CD2 4.28Å; V363-L412 HydrophobicContact CG1-CD2 3.84Å
364D90.6Very high89.8Confident69 Ų6953.9 Ų53.937%0.36928%0.284SS..EExtended strand (participates in β ladder)trans-125.3109.8173.7-172-15.3000108.5R357 L358 R359R357-D364 IonicContact NH1-OD2 3.77Å; L358-D364 WeakPolarHBondContact O-CA 3.21Å; R359-D364 HydrophobicContact CG-CB 4.12Å; R359-D364 IonicContact CZ-OD2 3.64Å; R359-D364 IonicContact NE-OD2 2.91Å; R359-D364 PolarHBondContact NE-OD2 3.15Å; R359-D364 IonicContact NH2-OD2 3.88Å; R359-D364 PolarHBondContact NH2-OD2 2.78Å
365V90.6Very high89.6Confident28 Ų2853.7 Ų53.717%0.1729%0.285CS..EExtended strand (participates in β ladder)trans-132.2143.5-176.2-68.60000111L358 V363 L412 L450L358-V365 HydrophobicContact CB-CG2 4.3Å; L358-V365 PolarHBondContact N-O 3.43Å; L358-V365 PolarHBondContact O-N 3.1Å; V363-V365 HydrophobicContact CG1-CG1 3.92Å; V365-L412 HydrophobicContact CG2-CD2 3.8Å; V365-L450 HydrophobicContact CB-CD1 3.7Å; V365-L450 HydrophobicContact CG1-CD1 4.45Å; V365-L450 HydrophobicContact CG2-CD1 3.48Å; V365-L450 VanDerWaalsContact CG2-CD1 3.48Å
366A91Very high89.3Confident75 Ų7549.1 Ų49.162%0.6226%0.258SS*.EExtended strand (participates in β ladder)trans-78.812917300000110
367A91.1Very high89Confident3 Ų348 Ų483%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-133154.2173.100000111.5L356 L358 A369 L450 V452L356-A367 PolarHBondContact N-O 3.11Å; L356-A367 PolarHBondContact O-N 3.43Å; L358-A367 HydrophobicContact CD1-CB 3.46Å; L358-A367 VanDerWaalsContact CD1-CB 3.46Å; L358-A367 HydrophobicContact CD2-CB 4.26Å; L358-A367 HydrophobicContact CG-CB 4.37Å; A367-A369 PolarHBondContact O-N 3.42Å; A367-L450 WeakPolarHBondContact CA-O 3.39Å; A367-L450 HydrophobicContact CB-CB 3.48Å; A367-L450 VanDerWaalsContact CB-CB 3.48Å; A367-L450 HydrophobicContact CB-CD1 4.44Å; A367-L450 WeakPolarHBondContact CB-O 3.36Å; A367-V452 HydrophobicContact CB-CG2 3.83Å
368S90.3Very high88.4Confident25 Ų2545.5 Ų45.518%0.17525%0.251CS..EExtended strand (participates in β ladder)trans-80.5109.2170.3-175.80000108.7N370 L450 V452S368-N370 PolarHBondContact O-ND2 3.47Å; S368-L450 PolarHBondContact N-O 2.7Å; S368-V452 PolarHBondContact O-N 3.43Å
369A91.5Very high87.6Confident0 Ų045.9 Ų45.90%025%0.253CS..EExtended strand (participates in β ladder)trans-82.5130.916900000109.1S353 Q354 L356 A367 V426 V452 L454 M459S353-A369 WeakPolarHBondContact CA-O 3.29Å; Q354-A369 PolarHBondContact N-O 3.1Å; Q354-A369 PolarHBondContact O-N 3.4Å; L356-A369 HydrophobicContact CD1-CB 3.78Å; L356-A369 HydrophobicContact CG-CB 4.38Å; A367-A369 PolarHBondContact O-N 3.42Å; A369-V426 HydrophobicContact CB-CG1 4.25Å; A369-V452 CarbonylContact C-O 3.46Å; A369-V452 WeakPolarHBondContact CA-O 3.37Å; A369-L454 HydrophobicContact CB-CD1 4Å; A369-M459 HydrophobicContact CB-CE 4.05Å; A369-M459 HydrophobicContact CB-SD 4.14Å; A369-M459 WeakPolarHBondContact O-CE 3.45Å
370N90.7Very high86.7Confident28 Ų2842.8 Ų42.815%0.1524%0.242CC..EExtended strand (participates in β ladder)trans-121.4115.5-179.3-58.1-72.4000109.3V352 S353 S368 V372 V452 W453 L454V352-N370 CarbonylContact O-C 3.58Å; V352-N370 WeakPolarHBondContact O-CA 3.29Å; S353-N370 WeakPolarHBondContact CB-OD1 3.29Å; S368-N370 PolarHBondContact O-ND2 3.47Å; N370-V372 HydrophobicContact CB-CG1 4.16Å; N370-V372 PolarHBondContact O-N 2.86Å; N370-V452 PolarHBondContact N-O 2.91Å; N370-V452 PolarHBondContact ND2-O 3.19Å; N370-W453 HydrophobicContact CB-CG 4.48Å; N370-W453 CarbonylContact O-C 3.57Å; N370-W453 VanDerWaalsContact O-CA 3.27Å; N370-W453 WeakPolarHBondContact O-CA 3.5Å; N370-L454 PolarHBondContact O-N 3.46Å
371G90.7Very high86Confident0 Ų043.2 Ų43.20%026%0.256CS..EExtended strand (participates in β ladder)trans-82.6109.7172.700000109.1V352 L454 M459V352-G371 PolarHBondContact N-O 3.14Å; V352-G371 PolarHBondContact O-N 2.88Å; G371-L454 CarbonylContact C-O 3.57Å; G371-L454 VanDerWaalsContact CA-O 3.31Å; G371-L454 WeakPolarHBondContact CA-O 3.19Å; G371-M459 PolarHBondContact N-SD 3.38Å
372V89.8Confident85.7Confident1 Ų138.6 Ų38.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-129.4167.5-173.9-60.20000111.9N370 Y376 F390 W453 L454 Y456N370-V372 HydrophobicContact CB-CG1 4.16Å; N370-V372 PolarHBondContact O-N 2.86Å; V372-Y376 HydrophobicContact CB-CD1 4.31Å; V372-Y376 HydrophobicContact CB-CD2 3.79Å; V372-Y376 HydrophobicContact CB-CG 3.67Å; V372-Y376 HydrophobicContact CG1-CD1 4.25Å; V372-Y376 HydrophobicContact CG1-CD2 3.58Å; V372-Y376 HydrophobicContact CG1-CE1 4.48Å; V372-Y376 HydrophobicContact CG1-CE2 3.81Å; V372-Y376 HydrophobicContact CG1-CG 3.82Å; V372-Y376 HydrophobicContact CG2-CD1 4.15Å; V372-Y376 HydrophobicContact CG2-CG 3.92Å; V372-F390 HydrophobicContact CG2-CE1 4.36Å; V372-F390 HydrophobicContact CG2-CZ 4.06Å; V372-F390 VanDerWaalsContact O-CZ 3.3Å; V372-F390 WeakPolarHBondContact O-CZ 3.19Å; V372-W453 HydrophobicContact CG2-CB 4.06Å; V372-W453 HydrophobicContact CG2-CG 4.36Å; V372-L454 PolarHBondContact N-O 3.4Å; V372-Y456 WeakPolarHBondContact O-CD1 3.48Å; V372-Y456 PolarHBondContact O-N 2.91Å
373S86.8Confident85.5Confident13 Ų1334.2 Ų34.29%0.09121%0.21CC..  trans-79.2162.4168.9-177.60000111.1D375 Y376 F390S373-D375 PolarHBondContact O-N 3.35Å; S373-Y376 WeakPolarHBondContact O-CB 3.09Å; S373-Y376 PolarHBondContact O-N 3.34Å; S373-Y376 VanDerWaalsContact O-N 3.07Å; S373-F390 VanDerWaalsContact C-CE2 3.46Å; S373-F390 VanDerWaalsContact C-CZ 3.48Å; S373-F390 WeakPolarHBondContact O-CZ 3.45Å
374G85.2Confident85.5Confident16 Ų1635.1 Ų35.117%0.16521%0.21CC..THydrogen-bonded Turntrans-61.6-27.2174.600000112.3Y376 T389 F390G374-Y376 VanDerWaalsContact C-N 3.27Å; G374-Y376 PolarHBondContact O-N 3.23Å; G374-T389 PolarHBondContact O-OG1 3.38Å; G374-F390 VanDerWaalsContact CA-CE2 3.4Å
375D82.7Confident85.3Confident66 Ų6634.5 Ų34.535%0.35321%0.211SC..THydrogen-bonded Turntrans-76.1-10.3177.6-58.7-39.2000113.7T349 S373 F377 N378 V379T349-D375 HydrophobicContact CG2-CB 3.94Å; S373-D375 PolarHBondContact O-N 3.35Å; D375-F377 VanDerWaalsContact C-N 3.34Å; D375-F377 PolarHBondContact O-N 2.78Å; D375-N378 WeakPolarHBondContact O-CA 3.3Å; D375-N378 WeakPolarHBondContact O-CB 3.43Å; D375-N378 PolarHBondContact O-N 3.4Å; D375-V379 WeakPolarHBondContact O-CG2 3.29Å; D375-V379 PolarHBondContact O-N 3.07Å
376Y84.7Confident85.1Confident34 Ų3435.7 Ų35.713%0.13321%0.214CC..Hα-helixtrans-57-47-174.9177.6-89.4000112.2V372 S373 G374 N378 V379 Y380 M382 W453V372-Y376 HydrophobicContact CB-CD1 4.31Å; V372-Y376 HydrophobicContact CB-CD2 3.79Å; V372-Y376 HydrophobicContact CB-CG 3.67Å; V372-Y376 HydrophobicContact CG1-CD1 4.25Å; V372-Y376 HydrophobicContact CG1-CD2 3.58Å; V372-Y376 HydrophobicContact CG1-CE1 4.48Å; V372-Y376 HydrophobicContact CG1-CE2 3.81Å; V372-Y376 HydrophobicContact CG1-CG 3.82Å; V372-Y376 HydrophobicContact CG2-CD1 4.15Å; V372-Y376 HydrophobicContact CG2-CG 3.92Å; S373-Y376 WeakPolarHBondContact O-CB 3.09Å; S373-Y376 PolarHBondContact O-N 3.34Å; S373-Y376 VanDerWaalsContact O-N 3.07Å; G374-Y376 VanDerWaalsContact C-N 3.27Å; G374-Y376 PolarHBondContact O-N 3.23Å; Y376-N378 PolarHBondContact O-N 3.43Å; Y376-V379 PolarHBondContact O-N 2.74Å; Y376-Y380 HydrophobicContact CD1-CD2 4.27Å; Y376-Y380 AromaticContact CD2-CD2 3.87Å; Y376-Y380 HydrophobicContact CD2-CD2 3.87Å; Y376-Y380 AromaticContact CD2-CE2 3.73Å; Y376-Y380 HydrophobicContact CD2-CE2 3.73Å; Y376-Y380 AromaticContact CE1-CD2 3.98Å; Y376-Y380 HydrophobicContact CE1-CD2 3.98Å; Y376-Y380 HydrophobicContact CE1-CE2 4.46Å; Y376-Y380 AromaticContact CE2-CD2 3.59Å; Y376-Y380 HydrophobicContact CE2-CD2 3.59Å; Y376-Y380 AromaticContact CE2-CE2 3.27Å; Y376-Y380 HydrophobicContact CE2-CE2 3.27Å; Y376-Y380 HydrophobicContact CG-CD2 4.2Å; Y376-Y380 AromaticContact CZ-CD2 3.63Å; Y376-Y380 AromaticContact CZ-CE2 3.67Å; Y376-Y380 WeakPolarHBondContact O-CD2 3.4Å; Y376-Y380 PolarHBondContact O-N 3.08Å; Y376-M382 HydrophobicContact CE1-CE 4Å; Y376-M382 HydrophobicContact CE1-SD 4.13Å; Y376-W453 AromaticContact CE1-CD1 3.96Å; Y376-W453 AromaticContact CE1-NE1 3.54Å
377F84.4Confident84.9Confident5 Ų533.8 Ų33.82%0.02220%0.202CC..Hα-helixtrans-65-29.3179.6-57.1-82.1000112.3D375 G381 M382 F384 T389 F390 V403 A437 W453D375-F377 VanDerWaalsContact C-N 3.34Å; D375-F377 PolarHBondContact O-N 2.78Å; F377-G381 CarbonylContact O-C 3.51Å; F377-G381 WeakPolarHBondContact O-CA 3.31Å; F377-G381 PolarHBondContact O-N 3.43Å; F377-M382 HydrophobicContact CB-CB 4.43Å; F377-M382 HydrophobicContact CD1-CB 4.19Å; F377-M382 HydrophobicContact CD1-SD 4.05Å; F377-M382 PolarHBondContact O-N 2.89Å; F377-F384 HydrophobicContact CB-CE2 3.97Å; F377-F384 HydrophobicContact CB-CZ 3.62Å; F377-F384 AromaticContact CD1-CE1 3.93Å; F377-F384 HydrophobicContact CD1-CE1 3.93Å; F377-F384 AromaticContact CD1-CZ 3.75Å; F377-F384 HydrophobicContact CD1-CZ 3.75Å; F377-F384 HydrophobicContact CD2-CE1 4.3Å; F377-F384 AromaticContact CD2-CZ 3.66Å; F377-F384 HydrophobicContact CD2-CZ 3.66Å; F377-F384 HydrophobicContact CE1-CE1 4.11Å; F377-F384 HydrophobicContact CE1-CZ 4.3Å; F377-F384 HydrophobicContact CE2-CE1 4.45Å; F377-F384 HydrophobicContact CE2-CZ 4.21Å; F377-F384 HydrophobicContact CG-CE1 4.03Å; F377-F384 HydrophobicContact CG-CE2 4.24Å; F377-F384 AromaticContact CG-CZ 3.39Å; F377-F384 HydrophobicContact CG-CZ 3.39Å; F377-F384 HydrophobicContact CZ-CE1 4.35Å; F377-F384 HydrophobicContact CZ-CZ 4.5Å; F377-T389 WeakPolarHBondContact CD2-OG1 3.28Å; F377-F390 HydrophobicContact CE2-CE1 4.13Å; F377-V403 HydrophobicContact CE1-CG1 3.94Å; F377-V403 HydrophobicContact CE2-CG2 4.28Å; F377-V403 HydrophobicContact CZ-CB 3.84Å; F377-V403 HydrophobicContact CZ-CG1 3.76Å; F377-V403 HydrophobicContact CZ-CG2 4.01Å; F377-A437 HydrophobicContact CD1-CB 4.35Å; F377-A437 HydrophobicContact CE1-CB 4.13Å; F377-W453 HydrophobicContact CE1-CB 4.39Å; F377-W453 AromaticContact CE1-CD2 3.9Å; F377-W453 HydrophobicContact CE1-CD2 3.9Å; F377-W453 HydrophobicContact CE1-CE3 4.01Å; F377-W453 HydrophobicContact CE1-CG 4.07Å; F377-W453 HydrophobicContact CZ-CB 3.67Å; F377-W453 HydrophobicContact CZ-CD2 4.08Å; F377-W453 HydrophobicContact CZ-CE3 4.31Å; F377-W453 AromaticContact CZ-CG 3.81Å; F377-W453 HydrophobicContact CZ-CG 3.81Å
378N78.8Confident84.7Confident102 Ų10239.4 Ų39.455%0.54523%0.232SC..Hα-helixtrans-75.3-43.8174-174.2-23.4000111.1D375 Y376 Y380 G381 R475D375-N378 WeakPolarHBondContact O-CA 3.3Å; D375-N378 WeakPolarHBondContact O-CB 3.43Å; D375-N378 PolarHBondContact O-N 3.4Å; Y376-N378 PolarHBondContact O-N 3.43Å; N378-Y380 VanDerWaalsContact C-N 3.27Å; N378-Y380 PolarHBondContact O-N 2.92Å; N378-G381 PolarHBondContact O-N 3.46Å; N378-G381 VanDerWaalsContact O-N 3.08Å; N378-R475 PolarHBondContact OD1-NH1 2.89Å
379V74.5Confident84.7Confident8 Ų840.1 Ų40.15%0.04824%0.235CC..Hα-helixtrans-57.6-41177.7171.20000111.6T311 S347 T349 D375 Y376 T473 R475T311-V379 HydrophobicContact CG2-CG1 3.94Å; S347-V379 WeakPolarHBondContact OG-CG2 3.39Å; T349-V379 HydrophobicContact CG2-CG2 4.02Å; D375-V379 WeakPolarHBondContact O-CG2 3.29Å; D375-V379 PolarHBondContact O-N 3.07Å; Y376-V379 PolarHBondContact O-N 2.74Å; V379-T473 HydrophobicContact CG1-CG2 4.1Å; V379-R475 HydrophobicContact CG1-CB 4.44Å; V379-R475 HydrophobicContact CG2-CB 4.46Å
380Y73.7Confident84.5Confident45 Ų4540.3 Ų40.318%0.17624%0.236CC..THydrogen-bonded Turntrans-92.70.7178-72.1-82.3000114.2I307 Y376 N378 M382 K440 T473I307-Y380 WeakPolarHBondContact O-CD1 3.37Å; Y376-Y380 HydrophobicContact CD1-CD2 4.27Å; Y376-Y380 AromaticContact CD2-CD2 3.87Å; Y376-Y380 HydrophobicContact CD2-CD2 3.87Å; Y376-Y380 AromaticContact CD2-CE2 3.73Å; Y376-Y380 HydrophobicContact CD2-CE2 3.73Å; Y376-Y380 AromaticContact CE1-CD2 3.98Å; Y376-Y380 HydrophobicContact CE1-CD2 3.98Å; Y376-Y380 HydrophobicContact CE1-CE2 4.46Å; Y376-Y380 AromaticContact CE2-CD2 3.59Å; Y376-Y380 HydrophobicContact CE2-CD2 3.59Å; Y376-Y380 AromaticContact CE2-CE2 3.27Å; Y376-Y380 HydrophobicContact CE2-CE2 3.27Å; Y376-Y380 HydrophobicContact CG-CD2 4.2Å; Y376-Y380 AromaticContact CZ-CD2 3.63Å; Y376-Y380 AromaticContact CZ-CE2 3.67Å; Y376-Y380 WeakPolarHBondContact O-CD2 3.4Å; Y376-Y380 PolarHBondContact O-N 3.08Å; N378-Y380 VanDerWaalsContact C-N 3.27Å; N378-Y380 PolarHBondContact O-N 2.92Å; Y380-M382 VanDerWaalsContact C-N 3.29Å; Y380-M382 HydrophobicContact CG-CE 4.36Å; Y380-M382 PolarHBondContact O-N 3.27Å; Y380-K440 PolarHBondContact O-NZ 3.47Å; Y380-T473 HydrophobicContact CE2-CG2 4.46Å; Y380-T473 PolarHBondContact OH-OG1 3.24Å
381G74.5Confident84.4Confident40 Ų4043.3 Ų43.341%0.41225%0.252SS..THydrogen-bonded Turntrans53.441.7-17800000113.7F377 N378 K440F377-G381 CarbonylContact O-C 3.51Å; F377-G381 WeakPolarHBondContact O-CA 3.31Å; F377-G381 PolarHBondContact O-N 3.43Å; N378-G381 PolarHBondContact O-N 3.46Å; N378-G381 VanDerWaalsContact O-N 3.08Å; G381-K440 WeakPolarHBondContact O-CE 3.3Å; G381-K440 PolarHBondContact O-NZ 2.87Å
382M81.1Confident84.1Confident37 Ų3750.4 Ų50.418%0.18229%0.285CS..PPolyproline II helixtrans-79.7134.4177.6-66.1-177.9179.900110.2Y376 F377 Y380 W453Y376-M382 HydrophobicContact CE1-CE 4Å; Y376-M382 HydrophobicContact CE1-SD 4.13Å; F377-M382 HydrophobicContact CB-CB 4.43Å; F377-M382 HydrophobicContact CD1-CB 4.19Å; F377-M382 HydrophobicContact CD1-SD 4.05Å; F377-M382 PolarHBondContact O-N 2.89Å; Y380-M382 VanDerWaalsContact C-N 3.29Å; Y380-M382 HydrophobicContact CG-CE 4.36Å; Y380-M382 PolarHBondContact O-N 3.27Å; M382-W453 HydrophobicContact SD-CZ2 4.34Å
383T84.3Confident84Confident77 Ų7757.9 Ų57.947%0.47232%0.32SS..PPolyproline II helixtrans-87.4144.3175.246.40000110.4A437 E438T383-A437 WeakPolarHBondContact O-CA 3.28Å; T383-E438 PolarHBondContact O-N 2.87Å; T383-E438 PolarHBondContact OG1-OE2 3.01Å
384F88.1Confident84Confident66 Ų6660.1 Ų60.129%0.28933%0.329SS..EExtended strand (participates in β ladder)trans-93.9123.8173.5-66.5-79.3000109.4F377 E386 V403 V436 A437F377-F384 HydrophobicContact CB-CE2 3.97Å; F377-F384 HydrophobicContact CB-CZ 3.62Å; F377-F384 AromaticContact CD1-CE1 3.93Å; F377-F384 HydrophobicContact CD1-CE1 3.93Å; F377-F384 AromaticContact CD1-CZ 3.75Å; F377-F384 HydrophobicContact CD1-CZ 3.75Å; F377-F384 HydrophobicContact CD2-CE1 4.3Å; F377-F384 AromaticContact CD2-CZ 3.66Å; F377-F384 HydrophobicContact CD2-CZ 3.66Å; F377-F384 HydrophobicContact CE1-CE1 4.11Å; F377-F384 HydrophobicContact CE1-CZ 4.3Å; F377-F384 HydrophobicContact CE2-CE1 4.45Å; F377-F384 HydrophobicContact CE2-CZ 4.21Å; F377-F384 HydrophobicContact CG-CE1 4.03Å; F377-F384 HydrophobicContact CG-CE2 4.24Å; F377-F384 AromaticContact CG-CZ 3.39Å; F377-F384 HydrophobicContact CG-CZ 3.39Å; F377-F384 HydrophobicContact CZ-CE1 4.35Å; F377-F384 HydrophobicContact CZ-CZ 4.5Å; F384-E386 VanDerWaalsContact C-N 3.29Å; F384-V403 HydrophobicContact CD1-CG1 4.43Å; F384-V403 HydrophobicContact CE1-CG1 3.94Å; F384-V403 HydrophobicContact CE1-CG2 4.47Å; F384-V436 CarbonylContact C-O 3.43Å; F384-V436 WeakPolarHBondContact CA-O 3.29Å; F384-A437 HydrophobicContact CD1-CB 4.33Å; F384-A437 HydrophobicContact CE1-CB 4.43Å
385S85.9Confident84.1Confident55 Ų5559.9 Ų59.939%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-69.4-32.6169.61730000110.9V436S385-V436 PolarHBondContact N-O 2.84Å
386E86.9Confident84.3Confident54 Ų5462.5 Ų62.525%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-155.9147.6-177.8-152.4169.9-138.200109.9F384 V419 V420 G435 V436F384-E386 VanDerWaalsContact C-N 3.29Å; E386-V419 PolarHBondContact OE2-N 3.07Å; E386-V420 HydrophobicContact CB-CG2 4.48Å; E386-V420 HydrophobicContact CG-CG2 3.9Å; E386-G435 CarbonylContact O-C 3.43Å; E386-G435 WeakPolarHBondContact O-CA 3.39Å; E386-V436 HydrophobicContact CB-CB 4.43Å; E386-V436 HydrophobicContact CB-CG2 4.49Å; E386-V436 PolarHBondContact N-O 3.49Å; E386-V436 PolarHBondContact O-N 3.37Å
387G87.8Confident84.5Confident35 Ų3563.4 Ų63.436%0.36136%0.358SS..EExtended strand (participates in β ladder)trans68.8-158.8176.800000114.9I434G387-I434 VanDerWaalsContact CA-O 3.31Å; G387-I434 WeakPolarHBondContact CA-O 3.36Å
388N87.1Confident84.8Confident121 Ų12169.1 Ų69.165%0.64738%0.379SS*.  trans-133.1167.4-174.2-72.8-38.3000111.6I434N388-I434 PolarHBondContact N-O 3.41Å; N388-I434 VanDerWaalsContact N-O 3.17Å
389T88.7Confident85.3Confident39 Ų3965.4 Ų65.424%0.23936%0.363CS..  trans-67176.3163.6-166.60000111.3G374 F377G374-T389 PolarHBondContact O-OG1 3.38Å; F377-T389 WeakPolarHBondContact CD2-OG1 3.28Å
390F88.8Confident86.2Confident4 Ų468.3 Ų68.32%0.01838%0.376CS..  trans-91.2140.2174.747.7-92.1000112.2V372 S373 G374 F377 Q394 L395 V401 I434 P455V372-F390 HydrophobicContact CG2-CE1 4.36Å; V372-F390 HydrophobicContact CG2-CZ 4.06Å; V372-F390 VanDerWaalsContact O-CZ 3.3Å; V372-F390 WeakPolarHBondContact O-CZ 3.19Å; S373-F390 VanDerWaalsContact C-CE2 3.46Å; S373-F390 VanDerWaalsContact C-CZ 3.48Å; S373-F390 WeakPolarHBondContact O-CZ 3.45Å; G374-F390 VanDerWaalsContact CA-CE2 3.4Å; F377-F390 HydrophobicContact CE2-CE1 4.13Å; F390-Q394 HydrophobicContact CB-CB 4.3Å; F390-Q394 VanDerWaalsContact CB-OE1 3.26Å; F390-L395 HydrophobicContact CD2-CB 4.37Å; F390-L395 HydrophobicContact CE2-CD1 4.21Å; F390-V401 HydrophobicContact CB-CG2 3.91Å; F390-I434 HydrophobicContact CB-CD1 3.85Å; F390-I434 HydrophobicContact CD1-CD1 4.48Å; F390-P455 HydrophobicContact CB-CG 4.5Å; F390-P455 HydrophobicContact CD1-CG 4.15Å; F390-P455 HydrophobicContact CD2-CB 4.16Å; F390-P455 HydrophobicContact CD2-CG 3.96Å; F390-P455 HydrophobicContact CE1-CG 4.36Å; F390-P455 HydrophobicContact CE2-CB 3.97Å; F390-P455 HydrophobicContact CE2-CG 4.15Å; F390-P455 HydrophobicContact CG-CG 3.95Å; F390-P455 HydrophobicContact CZ-CB 4.32Å; F390-P455 HydrophobicContact CZ-CG 4.36Å
391N87.4Confident87.2Confident92 Ų9266.3 Ų66.349%0.49237%0.368SS..  trans-76.3160.5179.1-67.4-9.2000111.7E393 Q394 L395N391-E393 PolarHBondContact O-N 2.81Å; N391-Q394 HydrophobicContact CB-CG 4.45Å; N391-Q394 WeakPolarHBondContact O-CB 3.26Å; N391-Q394 PolarHBondContact O-N 3.03Å; N391-L395 PolarHBondContact O-N 3.5Å
392Q84.5Confident88.1Confident149 Ų14964.4 Ų64.470%0.69635%0.349SS*.Hα-helixtrans-60.4-30.3178.9-153.9171.719.200112.8L395 N396Q392-L395 WeakPolarHBondContact O-CB 3.42Å; Q392-L395 PolarHBondContact O-N 2.8Å; Q392-N396 WeakPolarHBondContact O-CB 3.48Å; Q392-N396 VanDerWaalsContact O-CG 3.32Å; Q392-N396 PolarHBondContact O-N 2.77Å
393E87.6Confident88.7Confident157 Ų15762.7 Ų62.773%0.73434%0.34SS*.Hα-helixtrans-65.6-41172.3-65.7155.8176.900112.2N391 N396 G397N391-E393 PolarHBondContact O-N 2.81Å; E393-N396 PolarHBondContact O-N 3.14Å; E393-G397 PolarHBondContact O-N 3.32Å
394Q87.8Confident89.1Confident61 Ų6159 Ų5929%0.28532%0.318SS..Hα-helixtrans-69.5-36.9177.1-66.3175.8-1200111.1F390 N391 R398 A399F390-Q394 HydrophobicContact CB-CB 4.3Å; F390-Q394 VanDerWaalsContact CB-OE1 3.26Å; N391-Q394 HydrophobicContact CB-CG 4.45Å; N391-Q394 WeakPolarHBondContact O-CB 3.26Å; N391-Q394 PolarHBondContact O-N 3.03Å; Q394-R398 PolarHBondContact O-N 2.81Å; Q394-A399 HydrophobicContact CB-CB 3.88Å; Q394-A399 HydrophobicContact CG-CB 4.41Å; Q394-A399 WeakPolarHBondContact O-CB 3.4Å; Q394-A399 PolarHBondContact O-N 2.97Å
395L86.8Confident89.2Confident10 Ų1056 Ų565%0.05231%0.305CS..Hα-helixtrans-61.7-49.8171.8178.268000110.9F390 N391 Q392 R398 P455 Y456 S457F390-L395 HydrophobicContact CD2-CB 4.37Å; F390-L395 HydrophobicContact CE2-CD1 4.21Å; N391-L395 PolarHBondContact O-N 3.5Å; Q392-L395 WeakPolarHBondContact O-CB 3.42Å; Q392-L395 PolarHBondContact O-N 2.8Å; L395-R398 PolarHBondContact O-N 2.85Å; L395-P455 HydrophobicContact CD1-CB 3.59Å; L395-Y456 HydrophobicContact CD1-CD1 3.67Å; L395-Y456 HydrophobicContact CD1-CE1 3.62Å; L395-Y456 HydrophobicContact CD1-CG 4.41Å; L395-Y456 HydrophobicContact CD2-CE1 3.76Å; L395-Y456 HydrophobicContact CG-CE1 4.17Å; L395-S457 WeakPolarHBondContact CD1-OG 3.38Å; L395-S457 WeakPolarHBondContact O-CB 3.23Å; L395-S457 PolarHBondContact O-OG 3.19Å
396N87.2Confident89.2Confident121 Ų12154.3 Ų54.365%0.64729%0.292SS*.Hα-helixtrans-67.6-37.1179.5-72.5-12.8000112.5Q392 E393 R398Q392-N396 WeakPolarHBondContact O-CB 3.48Å; Q392-N396 VanDerWaalsContact O-CG 3.32Å; Q392-N396 PolarHBondContact O-N 2.77Å; E393-N396 PolarHBondContact O-N 3.14Å; N396-R398 PolarHBondContact O-N 3.34Å
397G89.5Confident89.2Confident54 Ų5453.6 Ų53.656%0.55729%0.29SS*.THydrogen-bonded Turntrans-72.1-2.1176.400000114.7E393 A399E393-G397 PolarHBondContact O-N 3.32Å; G397-A399 PolarHBondContact O-N 3.44Å
398R89Confident89.3Confident124 Ų12451.9 Ų51.947%0.46827%0.273SS..THydrogen-bonded Turntrans49.545.9-172.3-60-177.4178.9173.5-2.1111.1Q394 L395 N396 T458 R462Q394-R398 PolarHBondContact O-N 2.81Å; L395-R398 PolarHBondContact O-N 2.85Å; N396-R398 PolarHBondContact O-N 3.34Å; R398-T458 WeakPolarHBondContact CA-OG1 3.33Å; R398-T458 PolarHBondContact O-OG1 3.45Å; R398-R462 VanDerWaalsContact O-CZ 3.3Å; R398-R462 PolarHBondContact O-NH2 3.48Å
399A90.6Very high89.3Confident25 Ų2549.1 Ų49.121%0.20725%0.254CS..  trans-60.9139.7-17900000109.8Q394 G397 V401 T458Q394-A399 HydrophobicContact CB-CB 3.88Å; Q394-A399 HydrophobicContact CG-CB 4.41Å; Q394-A399 WeakPolarHBondContact O-CB 3.4Å; Q394-A399 PolarHBondContact O-N 2.97Å; G397-A399 PolarHBondContact O-N 3.44Å; A399-V401 HydrophobicContact CB-CG1 4.12Å; A399-V401 HydrophobicContact CB-CG2 4.13Å; A399-V401 PolarHBondContact O-N 3.38Å; A399-T458 PolarHBondContact O-OG1 2.9Å
400Q93.2Very high89.2Confident69 Ų6955.4 Ų55.432%0.32227%0.273SS..  trans-83.361.2175.9-71.5175.5-30.400109.7M429 P430 A431 R432Q400-M429 HydrophobicContact CG-CE 4.47Å; Q400-M429 HydrophobicContact CG-CG 4.17Å; Q400-M429 HydrophobicContact CG-SD 3.81Å; Q400-M429 VanDerWaalsContact NE2-CG 3.33Å; Q400-P430 WeakPolarHBondContact CB-O 3.46Å; Q400-P430 PolarHBondContact OE1-O 2.82Å; Q400-A431 CarbonylContact O-C 3.6Å; Q400-A431 WeakPolarHBondContact O-CA 3.25Å; Q400-R432 PolarHBondContact O-N 2.87Å
401V94.1Very high89.1Confident3 Ų359.9 Ų59.92%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-110.3148.8177.9-64.10000109.9F390 A399 R432 I434 P455F390-V401 HydrophobicContact CB-CG2 3.91Å; A399-V401 HydrophobicContact CB-CG1 4.12Å; A399-V401 HydrophobicContact CB-CG2 4.13Å; A399-V401 PolarHBondContact O-N 3.38Å; V401-R432 CarbonylContact C-O 3.59Å; V401-R432 VanDerWaalsContact CA-O 3.31Å; V401-R432 WeakPolarHBondContact CA-O 3.5Å; V401-I434 HydrophobicContact CB-CD1 3.92Å; V401-I434 HydrophobicContact CB-CG1 4.14Å; V401-I434 HydrophobicContact CB-CG2 3.77Å; V401-I434 HydrophobicContact CG1-CG2 3.68Å; V401-I434 HydrophobicContact CG2-CD1 3.99Å; V401-P455 HydrophobicContact CG2-CG 3.83Å; V401-P455 VanDerWaalsContact O-CD 3.28Å; V401-P455 WeakPolarHBondContact O-CD 3.47Å
402V93.8Very high89.1Confident0 Ų055.6 Ų55.60%027%0.271CS..EExtended strand (participates in β ladder)trans-142.4141-175.665.10000111.5I424 A431 R432 V433 I434 V452 W453 L454V402-I424 HydrophobicContact CG1-CD1 4.01Å; V402-I424 HydrophobicContact CG1-CG1 4.14Å; V402-A431 HydrophobicContact CB-CB 3.97Å; V402-A431 HydrophobicContact CG1-CB 3.76Å; V402-R432 PolarHBondContact N-O 3.41Å; V402-V433 HydrophobicContact CG1-CB 4.48Å; V402-V433 HydrophobicContact CG1-CG2 4.01Å; V402-V433 WeakPolarHBondContact O-CA 3.49Å; V402-I434 WeakPolarHBondContact O-CG1 3.21Å; V402-I434 PolarHBondContact O-N 2.81Å; V402-V452 HydrophobicContact CB-CG1 4.5Å; V402-V452 HydrophobicContact CG2-CB 4.48Å; V402-V452 HydrophobicContact CG2-CG1 3.01Å; V402-W453 WeakPolarHBondContact CA-O 3.36Å; V402-L454 HydrophobicContact CB-CG 4.29Å; V402-L454 HydrophobicContact CG2-CD1 4.11Å; V402-L454 HydrophobicContact CG2-CG 3.98Å
403V93.6Very high89.3Confident0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-106.7133.5169.7176.90000108.1F377 F384 I434 G435 A437 W453F377-V403 HydrophobicContact CE1-CG1 3.94Å; F377-V403 HydrophobicContact CE2-CG2 4.28Å; F377-V403 HydrophobicContact CZ-CB 3.84Å; F377-V403 HydrophobicContact CZ-CG1 3.76Å; F377-V403 HydrophobicContact CZ-CG2 4.01Å; F384-V403 HydrophobicContact CD1-CG1 4.43Å; F384-V403 HydrophobicContact CE1-CG1 3.94Å; F384-V403 HydrophobicContact CE1-CG2 4.47Å; V403-I434 HydrophobicContact CG2-CD1 4.24Å; V403-I434 HydrophobicContact CG2-CG1 4.01Å; V403-G435 VanDerWaalsContact CA-O 3.31Å; V403-G435 WeakPolarHBondContact CA-O 3.48Å; V403-A437 HydrophobicContact CG1-CB 4.22Å; V403-W453 HydrophobicContact CB-CB 4.27Å; V403-W453 HydrophobicContact CB-CE3 4.44Å; V403-W453 HydrophobicContact CG1-CE3 4.05Å; V403-W453 PolarHBondContact N-O 3.18Å; V403-W453 PolarHBondContact O-N 2.85Å
404L92.2Very high89Confident0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-100.3153.9179.4-69.3156.7000110.6L358 T408 L412 F413 V419 I424 V433 G435 V436 A437 V452L358-L404 HydrophobicContact CD2-CD2 4.46Å; L404-T408 HydrophobicContact CD2-CG2 3.44Å; L404-T408 VanDerWaalsContact CD2-CG2 3.44Å; L404-L412 HydrophobicContact CD2-CD1 4.2Å; L404-F413 HydrophobicContact CD1-CE2 4.12Å; L404-V419 HydrophobicContact CD1-CG1 4.08Å; L404-I424 HydrophobicContact CD2-CD1 3.85Å; L404-V433 HydrophobicContact CD1-CB 4.22Å; L404-V433 HydrophobicContact CD1-CG1 3.63Å; L404-V433 HydrophobicContact CD1-CG2 3.5Å; L404-V433 HydrophobicContact CG-CG1 4.39Å; L404-V433 HydrophobicContact CG-CG2 4.37Å; L404-G435 PolarHBondContact N-O 2.99Å; L404-V436 HydrophobicContact CB-CG2 4.41Å; L404-V436 CarbonylContact O-C 3.53Å; L404-V436 VanDerWaalsContact O-CA 3.26Å; L404-V436 WeakPolarHBondContact O-CA 3.3Å; L404-A437 PolarHBondContact O-N 3.4Å; L404-V452 HydrophobicContact CD2-CG2 4.3Å
405D89.7Confident88.5Confident4 Ų451.2 Ų51.22%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-81.1165.5160.873.1-0.6000111.1N407 T408 R409 R451 W453D405-N407 PolarHBondContact O-N 3.41Å; D405-N407 PolarHBondContact OD1-N 3.32Å; D405-T408 PolarHBondContact O-N 3.07Å; D405-T408 WeakPolarHBondContact OD1-CA 3.48Å; D405-T408 WeakPolarHBondContact OD1-CB 3.35Å; D405-T408 PolarHBondContact OD1-N 3.23Å; D405-T408 PolarHBondContact OD1-OG1 3.45Å; D405-R409 PolarHBondContact O-N 2.88Å; D405-R451 HydrophobicContact CB-CB 4.28Å; D405-R451 PolarHBondContact N-O 2.93Å; D405-R451 WeakPolarHBondContact OD2-CB 3.22Å; D405-R451 PolarHBondContact OD2-N 2.95Å; D405-W453 HydrophobicContact CB-CH2 3.72Å; D405-W453 HydrophobicContact CB-CZ3 3.65Å
406S86.9Confident87.9Confident18 Ų1855.4 Ų55.413%0.12628%0.275CS..Hα-helixtrans-62.2-30.1179.6-700000113.3R410 A437S406-R410 VanDerWaalsContact O-CG 3.31Å; S406-R410 WeakPolarHBondContact O-CG 3.5Å; S406-R410 PolarHBondContact O-N 3.29Å; S406-R410 VanDerWaalsContact O-N 3.08Å; S406-A437 PolarHBondContact N-O 3.32Å; S406-A437 PolarHBondContact OG-O 2.86Å
407N86.5Confident87Confident39 Ų3953.5 Ų53.521%0.20928%0.276CS..Hα-helixtrans-73.8-41.8179.8-68.3-28.7000111.9D405 R409 R410 Q411 E439 S447 L450D405-N407 PolarHBondContact O-N 3.41Å; D405-N407 PolarHBondContact OD1-N 3.32Å; N407-R409 VanDerWaalsContact C-N 3.34Å; N407-R410 PolarHBondContact O-N 3.36Å; N407-Q411 PolarHBondContact O-N 3.06Å; N407-E439 PolarHBondContact ND2-OE2 3.44Å; N407-S447 PolarHBondContact ND2-O 3.26Å; N407-L450 HydrophobicContact CB-CD2 4.14Å
408T89.2Confident86.7Confident0 Ų055.7 Ų55.70%028%0.275CS..Hα-helixtrans-66.8-39.2174.9-50.10000110.1L358 L404 D405 R410 Q411 L412 L450 R451 V452L358-T408 HydrophobicContact CD2-CG2 4.01Å; L404-T408 HydrophobicContact CD2-CG2 3.44Å; L404-T408 VanDerWaalsContact CD2-CG2 3.44Å; D405-T408 PolarHBondContact O-N 3.07Å; D405-T408 WeakPolarHBondContact OD1-CA 3.48Å; D405-T408 WeakPolarHBondContact OD1-CB 3.35Å; D405-T408 PolarHBondContact OD1-N 3.23Å; D405-T408 PolarHBondContact OD1-OG1 3.45Å; T408-R410 PolarHBondContact O-N 3.08Å; T408-Q411 PolarHBondContact O-N 2.84Å; T408-L412 HydrophobicContact CG2-CD1 3.59Å; T408-L412 HydrophobicContact CG2-CG 3.98Å; T408-L412 WeakPolarHBondContact O-CB 3.49Å; T408-L412 WeakPolarHBondContact O-CG 3.3Å; T408-L412 PolarHBondContact O-N 3.5Å; T408-L450 WeakPolarHBondContact OG1-CB 3.46Å; T408-R451 PolarHBondContact OG1-N 3.33Å; T408-R451 PolarHBondContact OG1-O 3.26Å; T408-V452 HydrophobicContact CG2-CG2 4.28Å
409R88.9Confident86.5Confident63 Ų6349.8 Ų49.824%0.23825%0.253CS..Hα-helixtrans-55.7-50.4171-167.7-166.564.3133.1-6.4111.3D405 N407 Q411 F413 V419 V436D405-R409 PolarHBondContact O-N 2.88Å; N407-R409 VanDerWaalsContact C-N 3.34Å; R409-Q411 VanDerWaalsContact C-N 3.32Å; R409-Q411 PolarHBondContact O-N 2.89Å; R409-F413 CarbonylContact O-C 3.42Å; R409-F413 WeakPolarHBondContact O-CA 3.37Å; R409-F413 WeakPolarHBondContact O-CB 3.27Å; R409-F413 PolarHBondContact O-N 3.14Å; R409-V419 HydrophobicContact CG-CB 4.47Å; R409-V419 HydrophobicContact CG-CG2 3.69Å; R409-V436 HydrophobicContact CB-CG1 4.15Å; R409-V436 HydrophobicContact CG-CG2 4.34Å
410R86.4Confident86.4Confident171 Ų17151.5 Ų51.565%0.64526%0.26SS*.Hα-helixtrans-62.4-36.1-179.4-74175.8-173.8-162.13.3112.9S406 N407 T408S406-R410 VanDerWaalsContact O-CG 3.31Å; S406-R410 WeakPolarHBondContact O-CG 3.5Å; S406-R410 PolarHBondContact O-N 3.29Å; S406-R410 VanDerWaalsContact O-N 3.08Å; N407-R410 PolarHBondContact O-N 3.36Å; T408-R410 PolarHBondContact O-N 3.08Å
411Q87Confident86.2Confident97 Ų9750.2 Ų50.245%0.45327%0.266SS..Hα-helixtrans-79-41179.5-72.7-164.56.100113.6N407 T408 R409 L450N407-Q411 PolarHBondContact O-N 3.06Å; T408-Q411 PolarHBondContact O-N 2.84Å; R409-Q411 VanDerWaalsContact C-N 3.32Å; R409-Q411 PolarHBondContact O-N 2.89Å; Q411-L450 HydrophobicContact CG-CD2 4.24Å
412L86.7Confident86.1Confident3 Ų352.5 Ų52.52%0.01628%0.276CS..Hα-helixtrans-80.2-33.7-179-65.7-178.7000112.6L358 V363 V365 L404 T408 P414 I424L358-L412 HydrophobicContact CD2-CD1 4.05Å; V363-L412 HydrophobicContact CB-CD2 4.28Å; V363-L412 HydrophobicContact CG1-CD2 3.84Å; V365-L412 HydrophobicContact CG2-CD2 3.8Å; L404-L412 HydrophobicContact CD2-CD1 4.2Å; T408-L412 HydrophobicContact CG2-CD1 3.59Å; T408-L412 HydrophobicContact CG2-CG 3.98Å; T408-L412 WeakPolarHBondContact O-CB 3.49Å; T408-L412 WeakPolarHBondContact O-CG 3.3Å; T408-L412 PolarHBondContact O-N 3.5Å; L412-P414 VanDerWaalsContact C-CD 3.45Å; L412-P414 WeakPolarHBondContact O-CD 3.44Å; L412-I424 HydrophobicContact CD1-CD1 4.29Å; L412-I424 HydrophobicContact CD1-CG2 4.33Å
413F88.2Confident86.1Confident10 Ų1055.9 Ų55.94%0.04430%0.297CS..  trans-126.964.8-173.1-56.3-82.3000111.6Y360 L404 R409 H415 K416 V419 E422 I424Y360-F413 HydrophobicContact CD1-CD1 4.33Å; Y360-F413 AromaticContact CD1-CE1 3.87Å; Y360-F413 HydrophobicContact CD1-CE1 3.87Å; Y360-F413 HydrophobicContact CD1-CZ 4.26Å; Y360-F413 HydrophobicContact CD2-CE1 4.32Å; Y360-F413 HydrophobicContact CD2-CZ 4.35Å; Y360-F413 AromaticContact CE1-CD1 3.76Å; Y360-F413 HydrophobicContact CE1-CD1 3.76Å; Y360-F413 AromaticContact CE1-CE1 3.38Å; Y360-F413 HydrophobicContact CE1-CE1 3.38Å; Y360-F413 HydrophobicContact CE1-CZ 4.18Å; Y360-F413 AromaticContact CE2-CE1 3.88Å; Y360-F413 HydrophobicContact CE2-CE1 3.88Å; Y360-F413 HydrophobicContact CE2-CZ 4.28Å; Y360-F413 HydrophobicContact CG-CE1 4.31Å; Y360-F413 HydrophobicContact CG-CZ 4.34Å; Y360-F413 AromaticContact CZ-CE1 3.39Å; L404-F413 HydrophobicContact CD1-CE2 4.12Å; R409-F413 CarbonylContact O-C 3.42Å; R409-F413 WeakPolarHBondContact O-CA 3.37Å; R409-F413 WeakPolarHBondContact O-CB 3.27Å; R409-F413 PolarHBondContact O-N 3.14Å; F413-H415 PolarHBondContact O-N 3.33Å; F413-H415 VanDerWaalsContact O-N 3.15Å; F413-K416 HydrophobicContact CB-CB 4.34Å; F413-V419 HydrophobicContact CB-CG2 4.08Å; F413-V419 HydrophobicContact CD1-CG1 4.21Å; F413-V419 HydrophobicContact CD2-CB 4.41Å; F413-V419 HydrophobicContact CD2-CG1 3.31Å; F413-V419 HydrophobicContact CD2-CG2 4.14Å; F413-V419 HydrophobicContact CE1-CG1 4.11Å; F413-V419 HydrophobicContact CE2-CG1 3.22Å; F413-V419 HydrophobicContact CG-CG1 3.83Å; F413-V419 HydrophobicContact CG-CG2 4.05Å; F413-V419 HydrophobicContact CZ-CG1 3.65Å; F413-E422 HydrophobicContact CE1-CB 3.98Å; F413-E422 HydrophobicContact CE1-CG 3.95Å; F413-E422 HydrophobicContact CZ-CB 3.97Å; F413-E422 HydrophobicContact CZ-CG 4.43Å; F413-I424 HydrophobicContact CE2-CG2 4.17Å; F413-I424 HydrophobicContact CZ-CG2 3.75Å
414P80.8Confident86Confident84 Ų8455.9 Ų55.955%0.54530%0.297SS..THydrogen-bonded Turntrans-63.6-21.8-178.124.9-34.3000113.7L412L412-P414 VanDerWaalsContact C-CD 3.45Å; L412-P414 WeakPolarHBondContact O-CD 3.44Å
415H77.3Confident86.1Confident181 Ų18159.6 Ų59.684%0.83832%0.316SS*.THydrogen-bonded Turntrans-120-3.7-171.9-56.3-54.3000114.8F413F413-H415 PolarHBondContact O-N 3.33Å; F413-H415 VanDerWaalsContact O-N 3.15Å
416K74.6Confident86.1Confident98 Ų9859.5 Ų59.543%0.42632%0.316SS..  trans-104.7131.2-179.5-73.9-160.1172.3-159.20110.9F413 E422F413-K416 HydrophobicContact CB-CB 4.34Å; K416-E422 IonicContact NZ-OE1 2.63Å; K416-E422 PolarHBondContact NZ-OE1 2.92Å
417A67.9Low86.2Confident81 Ų8159.3 Ų59.367%0.66932%0.317SS*.SBendtrans-76.2-52.8174.900000111
418D83.7Confident86.2Confident99 Ų9964.6 Ų64.653%0.52935%0.345SS..  trans-93.5123.3178-175.33.4000110.4V420D418-V420 WeakPolarHBondContact OD1-CB 3.3Å; D418-V420 PolarHBondContact OD1-N 2.8Å
419V85.4Confident86.3Confident0 Ų065.3 Ų65.30%035%0.349CS..  trans-111.1-9-178-170.10000111.5E386 L404 R409 F413 G421 E422 V433E386-V419 PolarHBondContact OE2-N 3.07Å; L404-V419 HydrophobicContact CD1-CG1 4.08Å; R409-V419 HydrophobicContact CG-CB 4.47Å; R409-V419 HydrophobicContact CG-CG2 3.69Å; F413-V419 HydrophobicContact CB-CG2 4.08Å; F413-V419 HydrophobicContact CD1-CG1 4.21Å; F413-V419 HydrophobicContact CD2-CB 4.41Å; F413-V419 HydrophobicContact CD2-CG1 3.31Å; F413-V419 HydrophobicContact CD2-CG2 4.14Å; F413-V419 HydrophobicContact CE1-CG1 4.11Å; F413-V419 HydrophobicContact CE2-CG1 3.22Å; F413-V419 HydrophobicContact CG-CG1 3.83Å; F413-V419 HydrophobicContact CG-CG2 4.05Å; F413-V419 HydrophobicContact CZ-CG1 3.65Å; V419-G421 PolarHBondContact O-N 3.4Å; V419-E422 PolarHBondContact O-N 3.03Å; V419-V433 HydrophobicContact CG1-CG1 4.1Å; V419-V433 HydrophobicContact CG1-CG2 4.44Å; V419-V433 WeakPolarHBondContact O-CB 3.3Å
420V88.7Confident86.5Confident61 Ų6165.2 Ų65.237%0.3736%0.356SS..THydrogen-bonded Turntrans-70.4130-177.3-177.60000109.8E386 D418E386-V420 HydrophobicContact CB-CG2 4.48Å; E386-V420 HydrophobicContact CG-CG2 3.9Å; D418-V420 WeakPolarHBondContact OD1-CB 3.3Å; D418-V420 PolarHBondContact OD1-N 2.8Å
421G89.3Confident86.9Confident42 Ų4257 Ų5743%0.43333%0.325SS..THydrogen-bonded Turntrans94.8-14.6-179.700000115V419 V433V419-G421 PolarHBondContact O-N 3.4Å; G421-V433 PolarHBondContact N-O 3.37Å
422E91.4Very high87.2Confident52 Ų5258.9 Ų58.924%0.24333%0.328CS..  trans-66.2150.5173.8-72.6-66.4174.600111.8F413 K416 V419 R432 V433F413-E422 HydrophobicContact CE1-CB 3.98Å; F413-E422 HydrophobicContact CE1-CG 3.95Å; F413-E422 HydrophobicContact CZ-CB 3.97Å; F413-E422 HydrophobicContact CZ-CG 4.43Å; K416-E422 IonicContact NZ-OE1 2.63Å; K416-E422 PolarHBondContact NZ-OE1 2.92Å; V419-E422 PolarHBondContact O-N 3.03Å; E422-R432 CarbonylContact O-C 3.56Å; E422-R432 WeakPolarHBondContact O-CA 3.44Å; E422-V433 PolarHBondContact O-N 2.93Å
423V92.6Very high87.6Confident71 Ų7158.8 Ų58.843%0.4333%0.327SS..EExtended strand (participates in β ladder)trans-111.7120.3-179.7-177.50000109.5Y360 P430 A431 R432Y360-V423 WeakPolarHBondContact CD2-O 3.45Å; V423-P430 HydrophobicContact CG1-CB 3.81Å; V423-A431 WeakPolarHBondContact CA-O 3.35Å; V423-R432 HydrophobicContact CG2-CB 4.3Å; V423-R432 HydrophobicContact CG2-CG 4.43Å
424I92.8Very high87.8Confident0 Ų059.4 Ų59.40%033%0.331CS..EExtended strand (participates in β ladder)trans-111.4150174.964175.6000109.3L358 Y360 V402 L404 L412 F413 V426 A431 V433L358-I424 HydrophobicContact CD2-CD1 3.89Å; Y360-I424 HydrophobicContact CD2-CG2 3.9Å; Y360-I424 HydrophobicContact CG-CG2 4.16Å; V402-I424 HydrophobicContact CG1-CD1 4.01Å; V402-I424 HydrophobicContact CG1-CG1 4.14Å; L404-I424 HydrophobicContact CD2-CD1 3.85Å; L412-I424 HydrophobicContact CD1-CD1 4.29Å; L412-I424 HydrophobicContact CD1-CG2 4.33Å; F413-I424 HydrophobicContact CE2-CG2 4.17Å; F413-I424 HydrophobicContact CZ-CG2 3.75Å; I424-V426 HydrophobicContact CD1-CG2 4.19Å; I424-V426 HydrophobicContact CG1-CG2 4.19Å; I424-A431 PolarHBondContact N-O 3.06Å; I424-A431 PolarHBondContact O-N 2.93Å; I424-V433 HydrophobicContact CD1-CG2 4.26Å; I424-V433 HydrophobicContact CG1-CG2 4.35Å; I424-V433 HydrophobicContact CG2-CG2 4.31Å
425L93.1Very high88.3Confident78 Ų7855.4 Ų55.441%0.40831%0.305SS..EExtended strand (participates in β ladder)trans-87.9120.1169.6-70.9103.9000109.4L358 R359 M429L358-L425 CarbonylContact C-O 3.59Å; L358-L425 VanDerWaalsContact CA-O 3.27Å; L358-L425 WeakPolarHBondContact CA-O 3.39Å; R359-L425 HydrophobicContact CB-CB 4.19Å; R359-L425 PolarHBondContact N-O 3.18Å; R359-L425 PolarHBondContact O-N 3.09Å; L425-M429 WeakPolarHBondContact CA-O 3.21Å
426V90.8Very high89Confident1 Ų146.8 Ų46.81%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-99.7102.8170.1-1770000107.3L356 L358 A369 I424 N428 M429 A431 L454L356-V426 HydrophobicContact CD1-CG1 3.88Å; L358-V426 HydrophobicContact CD1-CG1 4.42Å; L358-V426 HydrophobicContact CG-CG2 4.36Å; A369-V426 HydrophobicContact CB-CG1 4.25Å; I424-V426 HydrophobicContact CD1-CG2 4.19Å; I424-V426 HydrophobicContact CG1-CG2 4.19Å; V426-N428 PolarHBondContact O-N 3.05Å; V426-M429 PolarHBondContact N-O 3.04Å; V426-M429 PolarHBondContact O-N 2.91Å; V426-M429 VanDerWaalsContact O-N 3.13Å; V426-A431 HydrophobicContact CG2-CB 3.92Å; V426-L454 HydrophobicContact CG1-CD1 4.3Å
427G88.8Confident89.7Confident14 Ų1442.1 Ų42.114%0.14425%0.245CC..THydrogen-bonded Turntrans64.2-112.4-165.400000110.5R357R357-G427 WeakPolarHBondContact O-CA 3.27Å; R357-G427 PolarHBondContact O-N 2.9Å
428N87.3Confident90.4Very high150 Ų15042.8 Ų42.880%0.80223%0.234SC*.THydrogen-bonded Turntrans-107.11.1177.3-63.7-19.9000113V426V426-N428 PolarHBondContact O-N 3.05Å
429M91.1Very high89.8Confident16 Ų1641.1 Ų41.18%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-102.3124.9-175.3-174.6-17468.400110.5Q400 L425 V426 A431 L454 T458 R462 V463Q400-M429 HydrophobicContact CG-CE 4.47Å; Q400-M429 HydrophobicContact CG-CG 4.17Å; Q400-M429 HydrophobicContact CG-SD 3.81Å; Q400-M429 VanDerWaalsContact NE2-CG 3.33Å; L425-M429 WeakPolarHBondContact CA-O 3.21Å; V426-M429 PolarHBondContact N-O 3.04Å; V426-M429 PolarHBondContact O-N 2.91Å; V426-M429 VanDerWaalsContact O-N 3.13Å; M429-A431 HydrophobicContact CE-CB 4.4Å; M429-A431 PolarHBondContact O-N 2.78Å; M429-L454 HydrophobicContact CE-CD2 3.59Å; M429-T458 HydrophobicContact CE-CG2 3.77Å; M429-T458 HydrophobicContact SD-CG2 3.79Å; M429-R462 HydrophobicContact SD-CB 4.05Å; M429-V463 HydrophobicContact CE-CG2 3.97Å; M429-V463 HydrophobicContact SD-CG2 4.07Å
430P93.4Very high88.8Confident60 Ų6045 Ų4539%0.3924%0.24SC..EExtended strand (participates in β ladder)trans-67131.3169.428.5-32.6000109.4Q400 V423Q400-P430 WeakPolarHBondContact CB-O 3.46Å; Q400-P430 PolarHBondContact OE1-O 2.82Å; V423-P430 HydrophobicContact CG1-CB 3.81Å
431A93.8Very high87.5Confident0 Ų051 Ų510%026%0.264CS..EExtended strand (participates in β ladder)trans-131.3129.717800000109.8Q400 V402 V423 I424 V426 M429Q400-A431 CarbonylContact O-C 3.6Å; Q400-A431 WeakPolarHBondContact O-CA 3.25Å; V402-A431 HydrophobicContact CB-CB 3.97Å; V402-A431 HydrophobicContact CG1-CB 3.76Å; V423-A431 WeakPolarHBondContact CA-O 3.35Å; I424-A431 PolarHBondContact N-O 3.06Å; I424-A431 PolarHBondContact O-N 2.93Å; V426-A431 HydrophobicContact CG2-CB 3.92Å; M429-A431 HydrophobicContact CE-CB 4.4Å; M429-A431 PolarHBondContact O-N 2.78Å
432R94.4Very high85.7Confident136 Ų13651.9 Ų51.951%0.51326%0.263SS..EExtended strand (participates in β ladder)trans-87.9126.2179.1-176.1173.259.2173.6-1.3110.3Q400 V401 V402 E422 V423 I434Q400-R432 PolarHBondContact O-N 2.87Å; V401-R432 CarbonylContact C-O 3.59Å; V401-R432 VanDerWaalsContact CA-O 3.31Å; V401-R432 WeakPolarHBondContact CA-O 3.5Å; V402-R432 PolarHBondContact N-O 3.41Å; E422-R432 CarbonylContact O-C 3.56Å; E422-R432 WeakPolarHBondContact O-CA 3.44Å; V423-R432 HydrophobicContact CG2-CB 4.3Å; V423-R432 HydrophobicContact CG2-CG 4.43Å; R432-I434 PolarHBondContact O-N 2.93Å
433V93.4Very high83.5Confident0 Ų055.7 Ų55.70%028%0.283CS..EExtended strand (participates in β ladder)trans-68.5127.3177.3-178.40000109.5V402 L404 V419 G421 E422 I424V402-V433 HydrophobicContact CG1-CB 4.48Å; V402-V433 HydrophobicContact CG1-CG2 4.01Å; V402-V433 WeakPolarHBondContact O-CA 3.49Å; L404-V433 HydrophobicContact CD1-CB 4.22Å; L404-V433 HydrophobicContact CD1-CG1 3.63Å; L404-V433 HydrophobicContact CD1-CG2 3.5Å; L404-V433 HydrophobicContact CG-CG1 4.39Å; L404-V433 HydrophobicContact CG-CG2 4.37Å; V419-V433 HydrophobicContact CG1-CG1 4.1Å; V419-V433 HydrophobicContact CG1-CG2 4.44Å; V419-V433 WeakPolarHBondContact O-CB 3.3Å; G421-V433 PolarHBondContact N-O 3.37Å; E422-V433 PolarHBondContact O-N 2.93Å; I424-V433 HydrophobicContact CD1-CG2 4.26Å; I424-V433 HydrophobicContact CG1-CG2 4.35Å; I424-V433 HydrophobicContact CG2-CG2 4.31Å
434I93.3Very high81.5Confident24 Ų2461.7 Ų61.712%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-115.1-14177.658.1162.8000113.5G387 N388 F390 V401 V402 V403 R432G387-I434 VanDerWaalsContact CA-O 3.31Å; G387-I434 WeakPolarHBondContact CA-O 3.36Å; N388-I434 PolarHBondContact N-O 3.41Å; N388-I434 VanDerWaalsContact N-O 3.17Å; F390-I434 HydrophobicContact CB-CD1 3.85Å; F390-I434 HydrophobicContact CD1-CD1 4.48Å; V401-I434 HydrophobicContact CB-CD1 3.92Å; V401-I434 HydrophobicContact CB-CG1 4.14Å; V401-I434 HydrophobicContact CB-CG2 3.77Å; V401-I434 HydrophobicContact CG1-CG2 3.68Å; V401-I434 HydrophobicContact CG2-CD1 3.99Å; V402-I434 WeakPolarHBondContact O-CG1 3.21Å; V402-I434 PolarHBondContact O-N 2.81Å; V403-I434 HydrophobicContact CG2-CD1 4.24Å; V403-I434 HydrophobicContact CG2-CG1 4.01Å; R432-I434 PolarHBondContact O-N 2.93Å
435G91.9Very high79.5Confident0 Ų064 Ų640%033%0.326CS..EExtended strand (participates in β ladder)trans-174.8169178.800000113.1E386 V403 L404E386-G435 CarbonylContact O-C 3.43Å; E386-G435 WeakPolarHBondContact O-CA 3.39Å; V403-G435 VanDerWaalsContact CA-O 3.31Å; V403-G435 WeakPolarHBondContact CA-O 3.48Å; L404-G435 PolarHBondContact N-O 2.99Å
436V91.5Very high77.4Confident0 Ų064.9 Ų64.90%034%0.339CS..EExtended strand (participates in β ladder)trans-130.9121.6178.8-176.20000108.1F384 S385 E386 L404 R409F384-V436 CarbonylContact C-O 3.43Å; F384-V436 WeakPolarHBondContact CA-O 3.29Å; S385-V436 PolarHBondContact N-O 2.84Å; E386-V436 HydrophobicContact CB-CB 4.43Å; E386-V436 HydrophobicContact CB-CG2 4.49Å; E386-V436 PolarHBondContact N-O 3.49Å; E386-V436 PolarHBondContact O-N 3.37Å; L404-V436 HydrophobicContact CB-CG2 4.41Å; L404-V436 CarbonylContact O-C 3.53Å; L404-V436 VanDerWaalsContact O-CA 3.26Å; L404-V436 WeakPolarHBondContact O-CA 3.3Å; R409-V436 HydrophobicContact CB-CG1 4.15Å; R409-V436 HydrophobicContact CG-CG2 4.34Å
437A89.5Confident75.6Confident0 Ų065.5 Ų65.50%034%0.344CS..EExtended strand (participates in β ladder)trans-87.8140.5174.200000110.9F377 T383 F384 V403 L404 S406 W453F377-A437 HydrophobicContact CD1-CB 4.35Å; F377-A437 HydrophobicContact CE1-CB 4.13Å; T383-A437 WeakPolarHBondContact O-CA 3.28Å; F384-A437 HydrophobicContact CD1-CB 4.33Å; F384-A437 HydrophobicContact CE1-CB 4.43Å; V403-A437 HydrophobicContact CG1-CB 4.22Å; L404-A437 PolarHBondContact O-N 3.4Å; S406-A437 PolarHBondContact N-O 3.32Å; S406-A437 PolarHBondContact OG-O 2.86Å; A437-W453 HydrophobicContact CB-CH2 4.37Å; A437-W453 HydrophobicContact CB-CZ3 3.93Å
438E82Confident74.3Confident94 Ų9473.6 Ų73.644%0.43938%0.375SS..  trans-71.9142.8170.9-68.5-175.5149.700110.3T383 K440T383-E438 PolarHBondContact O-N 2.87Å; T383-E438 PolarHBondContact OG1-OE2 3.01Å; E438-K440 PolarHBondContact O-N 3.32Å
439E72.1Confident73.8Confident65 Ų6570.7 Ų70.730%0.30436%0.363SS..  trans-74.9115.9174.9-175176.6-169.900109.2N407 Q441 S447N407-E439 PolarHBondContact ND2-OE2 3.44Å; E439-Q441 PolarHBondContact O-N 2.94Å; E439-S447 WeakPolarHBondContact OE1-CA 3.18Å; E439-S447 WeakPolarHBondContact OE1-CB 3.1Å; E439-S447 PolarHBondContact OE1-OG 3.27Å
440K64.7Low73.6Confident81 Ų8170.3 Ų70.335%0.35236%0.361SS..  trans-72.6124.3158.2-85.3-175.8173.3174.40108.3S306 Y380 G381 E438 S442S306-K440 PolarHBondContact O-NZ 2.74Å; Y380-K440 PolarHBondContact O-NZ 3.47Å; G381-K440 WeakPolarHBondContact O-CE 3.3Å; G381-K440 PolarHBondContact O-NZ 2.87Å; E438-K440 PolarHBondContact O-N 3.32Å; K440-S442 PolarHBondContact O-N 3.34Å; K440-S442 VanDerWaalsContact O-N 3.12Å
441Q59.9Low73.4Confident188 Ų18871.2 Ų71.288%0.87936%0.356SS*.  trans-62.4114.1175.9-68.7175.95.100109.3E439E439-Q441 PolarHBondContact O-N 2.94Å
442S52.7Low73.3Confident59 Ų5971.2 Ų71.241%0.41336%0.356SS..  trans-76.1135.216947.50000110.1K440 F444 G445K440-S442 PolarHBondContact O-N 3.34Å; K440-S442 VanDerWaalsContact O-N 3.12Å; S442-F444 PolarHBondContact O-N 3.41Å; S442-G445 PolarHBondContact O-N 3Å
443M45.2Very low73.3Confident133 Ų13365.3 Ų65.366%0.65533%0.334SS*.THydrogen-bonded Turntrans-58.4-12-178.3-139.9-165.5-71.200114.6
444F49.4Very low73.2Confident197 Ų19765.3 Ų65.386%0.86433%0.334SS*.THydrogen-bonded Turntrans-109.929-171.8-64.4-72.2000114.8S442S442-F444 PolarHBondContact O-N 3.41Å
445G51.6Low73.2Confident47 Ų4764.2 Ų64.249%0.48533%0.329SS..SBendtrans109.7153.7169.200000113.6S442 S447S442-G445 PolarHBondContact O-N 3Å; G445-S447 PolarHBondContact O-N 3.42Å
446S47.9Very low73.1Confident97 Ų9766.4 Ų66.468%0.67834%0.337SS*.  trans-60.397.4178.458.80000109.8K448S446-K448 PolarHBondContact O-N 3.45Å
447S54.6Low72.9Confident15 Ų1567.1 Ų67.111%0.10534%0.343CS..  47.23.798.969.50000121.2N407 E439 G445 V449 R451N407-S447 PolarHBondContact ND2-O 3.26Å; E439-S447 WeakPolarHBondContact OE1-CA 3.18Å; E439-S447 WeakPolarHBondContact OE1-CB 3.1Å; E439-S447 PolarHBondContact OE1-OG 3.27Å; G445-S447 PolarHBondContact O-N 3.42Å; S447-V449 PolarHBondContact O-N 3.01Å; S447-R451 PolarHBondContact OG-NH2 3.36Å
448K60.8Low73Confident183 Ų18367.1 Ų67.180%0.79634%0.343SS*.  trans-67.5-7.3-173.4-76.5-170.5174.5-179.60113.3S446S446-K448 PolarHBondContact O-N 3.45Å
449V76.4Confident73.3Confident89 Ų8962.7 Ų62.754%0.53932%0.322SS..SBendtrans-80.6131177.1-66.30000110.4S447 R451S447-V449 PolarHBondContact O-N 3.01Å; V449-R451 HydrophobicContact CG2-CG 4.37Å
450L87.5Confident74Confident9 Ų960.2 Ų60.25%0.04731%0.311CS..  trans-72129.6172.7-59.7-176.2000109.6V365 A367 S368 N407 T408 Q411V365-L450 HydrophobicContact CB-CD1 3.7Å; V365-L450 HydrophobicContact CG1-CD1 4.45Å; V365-L450 HydrophobicContact CG2-CD1 3.48Å; V365-L450 VanDerWaalsContact CG2-CD1 3.48Å; A367-L450 WeakPolarHBondContact CA-O 3.39Å; A367-L450 HydrophobicContact CB-CB 3.48Å; A367-L450 VanDerWaalsContact CB-CB 3.48Å; A367-L450 HydrophobicContact CB-CD1 4.44Å; A367-L450 WeakPolarHBondContact CB-O 3.36Å; S368-L450 PolarHBondContact N-O 2.7Å; N407-L450 HydrophobicContact CB-CD2 4.14Å; T408-L450 WeakPolarHBondContact OG1-CB 3.46Å; Q411-L450 HydrophobicContact CG-CD2 4.24Å
451R89.3Confident74.9Confident78 Ų7858 Ų5829%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-123.4142.4179.7-61.5-172.2-114.3-163.12.9112.4D405 T408 S447 V449 W453D405-R451 HydrophobicContact CB-CB 4.28Å; D405-R451 PolarHBondContact N-O 2.93Å; D405-R451 WeakPolarHBondContact OD2-CB 3.22Å; D405-R451 PolarHBondContact OD2-N 2.95Å; T408-R451 PolarHBondContact OG1-N 3.33Å; T408-R451 PolarHBondContact OG1-O 3.26Å; S447-R451 PolarHBondContact OG-NH2 3.36Å; V449-R451 HydrophobicContact CG2-CG 4.37Å; R451-W453 HydrophobicContact CB-CH2 4.24Å; R451-W453 HydrophobicContact CB-CZ2 4.24Å
452V92.4Very high76Confident0 Ų055.1 Ų55.10%029%0.292CS..EExtended strand (participates in β ladder)trans-139.4139.1-174.9-174.20000107.5L358 A367 S368 A369 N370 V402 L404 T408 L454L358-V452 HydrophobicContact CD1-CG2 4.21Å; L358-V452 HydrophobicContact CD2-CG1 4.49Å; L358-V452 HydrophobicContact CD2-CG2 3.41Å; L358-V452 VanDerWaalsContact CD2-CG2 3.41Å; L358-V452 HydrophobicContact CG-CG2 4.41Å; A367-V452 HydrophobicContact CB-CG2 3.83Å; S368-V452 PolarHBondContact O-N 3.43Å; A369-V452 CarbonylContact C-O 3.46Å; A369-V452 WeakPolarHBondContact CA-O 3.37Å; N370-V452 PolarHBondContact N-O 2.91Å; N370-V452 PolarHBondContact ND2-O 3.19Å; V402-V452 HydrophobicContact CB-CG1 4.5Å; V402-V452 HydrophobicContact CG2-CB 4.48Å; V402-V452 HydrophobicContact CG2-CG1 3.01Å; L404-V452 HydrophobicContact CD2-CG2 4.3Å; T408-V452 HydrophobicContact CG2-CG2 4.28Å; V452-L454 HydrophobicContact CG1-CD1 3.9Å
453W92.8Very high77.4Confident12 Ų1254.3 Ų54.35%0.04529%0.285CS..EExtended strand (participates in β ladder)trans-120.5128.6179.8-62.4-87.6000111.1N370 V372 Y376 F377 M382 V402 V403 D405 A437 R451N370-W453 HydrophobicContact CB-CG 4.48Å; N370-W453 CarbonylContact O-C 3.57Å; N370-W453 VanDerWaalsContact O-CA 3.27Å; N370-W453 WeakPolarHBondContact O-CA 3.5Å; V372-W453 HydrophobicContact CG2-CB 4.06Å; V372-W453 HydrophobicContact CG2-CG 4.36Å; Y376-W453 AromaticContact CE1-CD1 3.96Å; Y376-W453 AromaticContact CE1-NE1 3.54Å; F377-W453 HydrophobicContact CE1-CB 4.39Å; F377-W453 AromaticContact CE1-CD2 3.9Å; F377-W453 HydrophobicContact CE1-CD2 3.9Å; F377-W453 HydrophobicContact CE1-CE3 4.01Å; F377-W453 HydrophobicContact CE1-CG 4.07Å; F377-W453 HydrophobicContact CZ-CB 3.67Å; F377-W453 HydrophobicContact CZ-CD2 4.08Å; F377-W453 HydrophobicContact CZ-CE3 4.31Å; F377-W453 AromaticContact CZ-CG 3.81Å; F377-W453 HydrophobicContact CZ-CG 3.81Å; M382-W453 HydrophobicContact SD-CZ2 4.34Å; V402-W453 WeakPolarHBondContact CA-O 3.36Å; V403-W453 HydrophobicContact CB-CB 4.27Å; V403-W453 HydrophobicContact CB-CE3 4.44Å; V403-W453 HydrophobicContact CG1-CE3 4.05Å; V403-W453 PolarHBondContact N-O 3.18Å; V403-W453 PolarHBondContact O-N 2.85Å; D405-W453 HydrophobicContact CB-CH2 3.72Å; D405-W453 HydrophobicContact CB-CZ3 3.65Å; A437-W453 HydrophobicContact CB-CH2 4.37Å; A437-W453 HydrophobicContact CB-CZ3 3.93Å; R451-W453 HydrophobicContact CB-CH2 4.24Å; R451-W453 HydrophobicContact CB-CZ2 4.24Å
454L92.2Very high79.3Confident1 Ų150.1 Ų50.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-122.5159176.8-66.193.8000109.3A369 N370 G371 V372 V402 V426 M429 V452 Y456A369-L454 HydrophobicContact CB-CD1 4Å; N370-L454 PolarHBondContact O-N 3.46Å; G371-L454 CarbonylContact C-O 3.57Å; G371-L454 VanDerWaalsContact CA-O 3.31Å; G371-L454 WeakPolarHBondContact CA-O 3.19Å; V372-L454 PolarHBondContact N-O 3.4Å; V402-L454 HydrophobicContact CB-CG 4.29Å; V402-L454 HydrophobicContact CG2-CD1 4.11Å; V402-L454 HydrophobicContact CG2-CG 3.98Å; V426-L454 HydrophobicContact CG1-CD1 4.3Å; M429-L454 HydrophobicContact CE-CD2 3.59Å; V452-L454 HydrophobicContact CG1-CD1 3.9Å; L454-Y456 PolarHBondContact O-N 2.89Å
455P92.7Very high80.8Confident0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-56.6128.7167-19.129.3000109.8F390 L395 V401 S457 T458 M459F390-P455 HydrophobicContact CB-CG 4.5Å; F390-P455 HydrophobicContact CD1-CG 4.15Å; F390-P455 HydrophobicContact CD2-CB 4.16Å; F390-P455 HydrophobicContact CD2-CG 3.96Å; F390-P455 HydrophobicContact CE1-CG 4.36Å; F390-P455 HydrophobicContact CE2-CB 3.97Å; F390-P455 HydrophobicContact CE2-CG 4.15Å; F390-P455 HydrophobicContact CG-CG 3.95Å; F390-P455 HydrophobicContact CZ-CB 4.32Å; F390-P455 HydrophobicContact CZ-CG 4.36Å; L395-P455 HydrophobicContact CD1-CB 3.59Å; V401-P455 HydrophobicContact CG2-CG 3.83Å; V401-P455 VanDerWaalsContact O-CD 3.28Å; V401-P455 WeakPolarHBondContact O-CD 3.47Å; P455-S457 PolarHBondContact O-N 2.71Å; P455-S457 VanDerWaalsContact O-N 3.1Å; P455-T458 WeakPolarHBondContact O-CA 3.34Å; P455-T458 WeakPolarHBondContact O-CB 3.5Å; P455-T458 PolarHBondContact O-N 3.11Å; P455-M459 PolarHBondContact O-N 2.91Å
456Y89.5Confident82.2Confident46 Ų4643.4 Ų43.418%0.1824%0.242CC..Hα-helixtrans-57.2-30.4-177.673.3-96.4000112.5Y333 P350 V372 L395 L454 T458 M459 S460Y333-Y456 HydrophobicContact CD1-CD2 4.05Å; Y333-Y456 AromaticContact CD1-CE2 3.77Å; Y333-Y456 HydrophobicContact CD1-CE2 3.77Å; Y333-Y456 AromaticContact CE1-CD2 3.39Å; Y333-Y456 HydrophobicContact CE1-CD2 3.39Å; Y333-Y456 AromaticContact CE1-CE2 3.6Å; Y333-Y456 HydrophobicContact CE1-CE2 3.6Å; Y333-Y456 HydrophobicContact CE1-CG 4.48Å; P350-Y456 HydrophobicContact CB-CG 4.37Å; P350-Y456 HydrophobicContact CG-CD1 3.3Å; P350-Y456 HydrophobicContact CG-CD2 3.97Å; P350-Y456 HydrophobicContact CG-CE1 3.52Å; P350-Y456 HydrophobicContact CG-CE2 4.19Å; P350-Y456 HydrophobicContact CG-CG 3.53Å; V372-Y456 WeakPolarHBondContact O-CD1 3.48Å; V372-Y456 PolarHBondContact O-N 2.91Å; L395-Y456 HydrophobicContact CD1-CD1 3.67Å; L395-Y456 HydrophobicContact CD1-CE1 3.62Å; L395-Y456 HydrophobicContact CD1-CG 4.41Å; L395-Y456 HydrophobicContact CD2-CE1 3.76Å; L395-Y456 HydrophobicContact CG-CE1 4.17Å; L454-Y456 PolarHBondContact O-N 2.89Å; Y456-T458 VanDerWaalsContact C-N 3.33Å; Y456-M459 PolarHBondContact O-N 3.37Å; Y456-S460 VanDerWaalsContact O-CB 3.3Å; Y456-S460 WeakPolarHBondContact O-CB 3.39Å; Y456-S460 PolarHBondContact O-N 3.45Å; Y456-S460 PolarHBondContact O-OG 2.9Å
457S88.3Confident83.8Confident16 Ų1642.9 Ų42.911%0.11224%0.238CC..Hα-helixtrans-66.6-33.2176.262.10000112.6L395 P455 G461L395-S457 WeakPolarHBondContact CD1-OG 3.38Å; L395-S457 WeakPolarHBondContact O-CB 3.23Å; L395-S457 PolarHBondContact O-OG 3.19Å; P455-S457 PolarHBondContact O-N 2.71Å; P455-S457 VanDerWaalsContact O-N 3.1Å; S457-G461 WeakPolarHBondContact O-CA 3.23Å; S457-G461 PolarHBondContact O-N 2.92Å; S457-G461 VanDerWaalsContact O-N 3.09Å
458T91.2Very high85.3Confident0 Ų044.7 Ų44.70%024%0.243CC..Hα-helixtrans-75.6-43.9174.5-57.30000110R398 A399 M429 P455 Y456 R462R398-T458 WeakPolarHBondContact CA-OG1 3.33Å; R398-T458 PolarHBondContact O-OG1 3.45Å; A399-T458 PolarHBondContact O-OG1 2.9Å; M429-T458 HydrophobicContact CE-CG2 3.77Å; M429-T458 HydrophobicContact SD-CG2 3.79Å; P455-T458 WeakPolarHBondContact O-CA 3.34Å; P455-T458 WeakPolarHBondContact O-CB 3.5Å; P455-T458 PolarHBondContact O-N 3.11Å; Y456-T458 VanDerWaalsContact C-N 3.33Å; T458-R462 WeakPolarHBondContact O-CA 3.41Å; T458-R462 WeakPolarHBondContact O-CB 3.32Å; T458-R462 PolarHBondContact O-N 3.15Å
459M89.1Confident86.4Confident1 Ų136 Ų361%0.00521%0.205CC..Iπ-helixtrans-65.7-53-179.9-175.2148.8177.300112.2V352 Q354 A369 G371 P455 Y456 V463 M464V352-M459 HydrophobicContact CG1-CB 4.19Å; V352-M459 HydrophobicContact CG1-CG 3.9Å; V352-M459 HydrophobicContact CG1-SD 4.18Å; Q354-M459 HydrophobicContact CB-CE 3.39Å; Q354-M459 VanDerWaalsContact N-CE 3.31Å; A369-M459 HydrophobicContact CB-CE 4.05Å; A369-M459 HydrophobicContact CB-SD 4.14Å; A369-M459 WeakPolarHBondContact O-CE 3.45Å; G371-M459 PolarHBondContact N-SD 3.38Å; P455-M459 PolarHBondContact O-N 2.91Å; Y456-M459 PolarHBondContact O-N 3.37Å; M459-V463 WeakPolarHBondContact O-CA 3.36Å; M459-V463 WeakPolarHBondContact O-CB 3.42Å; M459-V463 PolarHBondContact O-N 3.29Å; M459-V463 VanDerWaalsContact O-N 3.12Å; M459-M464 HydrophobicContact CE-SD 3.71Å; M459-M464 HydrophobicContact CG-CG 4.36Å; M459-M464 HydrophobicContact CG-SD 4Å; M459-M464 PolarHBondContact O-N 2.84Å
460S85.3Confident86.9Confident12 Ų1233.7 Ų33.78%0.08419%0.19CC..Iπ-helixtrans-65.6-41.3177.358.40000113Y333 Y456 G465 Q466Y333-S460 WeakPolarHBondContact OH-CB 3.31Å; Y333-S460 PolarHBondContact OH-OG 2.86Å; Y456-S460 VanDerWaalsContact O-CB 3.3Å; Y456-S460 WeakPolarHBondContact O-CB 3.39Å; Y456-S460 PolarHBondContact O-N 3.45Å; Y456-S460 PolarHBondContact O-OG 2.9Å; S460-G465 VanDerWaalsContact O-CA 3.27Å; S460-G465 WeakPolarHBondContact O-CA 3.39Å; S460-G465 PolarHBondContact O-N 3.45Å; S460-Q466 PolarHBondContact O-N 2.85Å
461G83.6Confident87Confident34 Ų3433.9 Ų33.935%0.35119%0.192SC..Iπ-helixtrans-82.7-34.1-17300000115.5S457S457-G461 WeakPolarHBondContact O-CA 3.23Å; S457-G461 PolarHBondContact O-N 2.92Å; S457-G461 VanDerWaalsContact O-N 3.09Å
462R83.5Confident87Confident128 Ų12830.1 Ų30.148%0.48318%0.178SC..Iπ-helixtrans-111.8-25.3-175.4-61.3-168.7-175.6-169.24.3114.3R398 M429 T458R398-R462 VanDerWaalsContact O-CZ 3.3Å; R398-R462 PolarHBondContact O-NH2 3.48Å; M429-R462 HydrophobicContact SD-CB 4.05Å; T458-R462 WeakPolarHBondContact O-CA 3.41Å; T458-R462 WeakPolarHBondContact O-CB 3.32Å; T458-R462 PolarHBondContact O-N 3.15Å
463V82.8Confident86.8Confident43 Ų4330.3 Ų30.326%0.26118%0.178SC..Iπ-helixtrans-104.2-47.9-173.5-174.20000111.6L356 M429 M459L356-V463 HydrophobicContact CD1-CG1 3.58Å; L356-V463 HydrophobicContact CD2-CG1 4.39Å; M429-V463 HydrophobicContact CE-CG2 3.97Å; M429-V463 HydrophobicContact SD-CG2 4.07Å; M459-V463 WeakPolarHBondContact O-CA 3.36Å; M459-V463 WeakPolarHBondContact O-CB 3.42Å; M459-V463 PolarHBondContact O-N 3.29Å; M459-V463 VanDerWaalsContact O-N 3.12Å
464M84Confident86.6Confident44 Ų4429.8 Ų29.822%0.21718%0.177CC..Iπ-helixtrans-98.1-33.1-173.8-65.3-178.982.400114.1V352 Q354 M459 Q466V352-M464 HydrophobicContact CG2-CE 3.84Å; V352-M464 HydrophobicContact CG2-SD 3.33Å; V352-M464 WeakPolarHBondContact CG2-SD 3.44Å; Q354-M464 HydrophobicContact CB-CE 4.11Å; Q354-M464 HydrophobicContact CB-SD 4.18Å; Q354-M464 HydrophobicContact CG-CE 4.34Å; M459-M464 HydrophobicContact CE-SD 3.71Å; M459-M464 HydrophobicContact CG-CG 4.36Å; M459-M464 HydrophobicContact CG-SD 4Å; M459-M464 PolarHBondContact O-N 2.84Å; M464-Q466 HydrophobicContact CB-CB 4.47Å; M464-Q466 HydrophobicContact CB-CG 3.94Å; M464-Q466 VanDerWaalsContact CE-CD 3.43Å; M464-Q466 HydrophobicContact CE-CG 4.35Å; M464-Q466 PolarHBondContact O-N 3.34Å
465G81.4Confident86.3Confident70 Ų7032.7 Ų32.772%0.72219%0.188SC*.  trans65.619.9-174.300000114.1S460S460-G465 VanDerWaalsContact O-CA 3.27Å; S460-G465 WeakPolarHBondContact O-CA 3.39Å; S460-G465 PolarHBondContact O-N 3.45Å
466Q82Confident86.1Confident33 Ų3332.9 Ų32.915%0.15419%0.189CC..  trans-102.8147.5-178.175.8-179.836.900112.3S460 M464 W468S460-Q466 PolarHBondContact O-N 2.85Å; M464-Q466 HydrophobicContact CB-CB 4.47Å; M464-Q466 HydrophobicContact CB-CG 3.94Å; M464-Q466 VanDerWaalsContact CE-CD 3.43Å; M464-Q466 HydrophobicContact CE-CG 4.35Å; M464-Q466 PolarHBondContact O-N 3.34Å; Q466-W468 PolarHBondContact NE2-O 2.89Å
467S81.2Confident86Confident86 Ų8636.7 Ų36.760%0.60121%0.206SC*.SBendtrans-98.3-1.4179.154.20000114.1Y333Y333-S467 WeakPolarHBondContact CD2-O 3.16Å
468W85.1Confident85.6Confident54 Ų5444.7 Ų44.721%0.20524%0.242CC..BIsolated β-bridgetrans-111.8157.4-177.758-91.8000112.1Q329 L331 Q466 N470Q329-W468 HydrophobicContact CB-CB 4.14Å; Q329-W468 HydrophobicContact CB-CD2 4.41Å; Q329-W468 HydrophobicContact CB-CG 3.93Å; Q329-W468 HydrophobicContact CG-CD2 4.01Å; Q329-W468 HydrophobicContact CG-CG 3.9Å; L331-W468 CarbonylContact O-C 3.55Å; L331-W468 VanDerWaalsContact O-CA 3.26Å; L331-W468 WeakPolarHBondContact O-CA 3.46Å; Q466-W468 PolarHBondContact NE2-O 2.89Å; W468-N470 WeakPolarHBondContact CZ3-OD1 3.48Å
469L84.9Confident85Confident0 Ų048.9 Ų48.90%029%0.285CS..  trans-111.8150.8-176.5-62.3104.7000112L331 Y333 P350 I472L331-L469 HydrophobicContact CB-CB 4.3Å; L331-L469 WeakPolarHBondContact O-CD1 3.45Å; L331-L469 PolarHBondContact O-N 3.29Å; Y333-L469 HydrophobicContact CD1-CD1 3.85Å; Y333-L469 HydrophobicContact CD1-CD2 4Å; Y333-L469 HydrophobicContact CD1-CG 4.22Å; Y333-L469 HydrophobicContact CD2-CD1 4.27Å; Y333-L469 HydrophobicContact CE1-CD1 3.92Å; Y333-L469 HydrophobicContact CE1-CD2 3.56Å; Y333-L469 HydrophobicContact CE1-CG 3.78Å; Y333-L469 HydrophobicContact CE2-CD1 4.36Å; Y333-L469 HydrophobicContact CG-CD1 4Å; Y333-L469 VanDerWaalsContact N-CD1 3.32Å; P350-L469 HydrophobicContact CB-CD2 3.01Å; P350-L469 HydrophobicContact CG-CD2 4.34Å; L469-I472 HydrophobicContact CD2-CG1 4.5Å
470N86.4Confident84.9Confident40 Ų4052 Ų5221%0.21430%0.299CS..SBendtrans-78-37.9176.1-643.2000110.9P316 A351 S353 W468P316-N470 WeakPolarHBondContact CD-O 3.5Å; A351-N470 PolarHBondContact O-N 3.37Å; A351-N470 VanDerWaalsContact O-N 3.13Å; S353-N470 PolarHBondContact N-ND2 2.96Å; S353-N470 PolarHBondContact O-ND2 3.47Å; S353-N470 PolarHBondContact OG-ND2 2.89Å; S353-N470 VanDerWaalsContact OG-ND2 3.08Å; W468-N470 WeakPolarHBondContact CZ3-OD1 3.48Å
471S88.8Confident84.9Confident13 Ų1354.9 Ų54.99%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-159.3165172.762.90000112.7V314 A351V314-S471 CarbonylContact O-C 3.5Å; V314-S471 WeakPolarHBondContact O-CA 3.44Å; V314-S471 VanDerWaalsContact O-CB 3.24Å; V314-S471 WeakPolarHBondContact O-CB 3.33Å; A351-S471 PolarHBondContact N-O 2.92Å; A351-S471 PolarHBondContact O-N 3.47Å; A351-S471 VanDerWaalsContact O-N 3.13Å
472I89.1Confident84.9Confident0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-126.6117.8170.9-58.5174.7000108V314 L331 L336 I339 L469 V474V314-I472 HydrophobicContact CB-CB 4.33Å; V314-I472 PolarHBondContact N-O 3.47Å; V314-I472 PolarHBondContact O-N 3.45Å; L331-I472 HydrophobicContact CD2-CD1 4.2Å; L336-I472 HydrophobicContact CB-CD1 4.34Å; L336-I472 HydrophobicContact CD1-CG2 3.84Å; I339-I472 HydrophobicContact CD1-CD1 4.11Å; I339-I472 HydrophobicContact CD1-CG2 4.12Å; L469-I472 HydrophobicContact CD2-CG1 4.5Å; I472-V474 HydrophobicContact CG2-CG2 4.03Å
473T88.4Confident85Confident3 Ų349.2 Ų49.22%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-89123.4172.8-57.90000109.3T311 D313 A348 T349 V379 Y380T311-T473 HydrophobicContact CG2-CG2 4.06Å; D313-T473 WeakPolarHBondContact OD1-CA 3.27Å; D313-T473 VanDerWaalsContact OD1-CB 3.22Å; D313-T473 WeakPolarHBondContact OD1-CB 3.5Å; D313-T473 VanDerWaalsContact OD1-CG2 3.26Å; D313-T473 WeakPolarHBondContact OD1-CG2 3.29Å; D313-T473 PolarHBondContact OD1-OG1 3.41Å; A348-T473 CarbonylContact C-O 3.58Å; A348-T473 WeakPolarHBondContact CA-O 3.36Å; T349-T473 PolarHBondContact N-O 3.49Å; T349-T473 PolarHBondContact O-N 3.3Å; V379-T473 HydrophobicContact CG1-CG2 4.1Å; Y380-T473 HydrophobicContact CE2-CG2 4.46Å; Y380-T473 PolarHBondContact OH-OG1 3.24Å
474V88.5Confident85.3Confident2 Ų251.6 Ų51.61%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-113.4117-179.8-1730000109.5T311 I312 V314 I339 V345 A348 I472 L489T311-V474 CarbonylContact C-O 3.47Å; T311-V474 VanDerWaalsContact CA-O 3.31Å; T311-V474 WeakPolarHBondContact CA-O 3.33Å; I312-V474 HydrophobicContact CB-CB 4.5Å; I312-V474 PolarHBondContact N-O 2.97Å; I312-V474 PolarHBondContact O-N 3.41Å; V314-V474 HydrophobicContact CG2-CG2 4.38Å; I339-V474 HydrophobicContact CD1-CG2 4.46Å; I339-V474 HydrophobicContact CG2-CB 4.4Å; I339-V474 HydrophobicContact CG2-CG1 3.83Å; I339-V474 HydrophobicContact CG2-CG2 3.62Å; V345-V474 HydrophobicContact CB-CG1 4.34Å; V345-V474 HydrophobicContact CG1-CG1 3.8Å; V345-V474 HydrophobicContact CG2-CG1 3.64Å; A348-V474 HydrophobicContact CB-CG2 4.46Å; I472-V474 HydrophobicContact CG2-CG2 4.03Å; V474-L489 HydrophobicContact CB-CD2 4.38Å; V474-L489 HydrophobicContact CG2-CD2 4Å
475R87Confident85.7Confident62 Ų6249.6 Ų49.623%0.23429%0.289CS..EExtended strand (participates in β ladder)trans-90.5117.5173.1-171.3171.564.4174.22.4109.9N310 T311 A346 S347 N378 V379N310-R475 CarbonylContact O-C 3.5Å; N310-R475 WeakPolarHBondContact O-CA 3.34Å; T311-R475 HydrophobicContact CG2-CB 4.44Å; A346-R475 PolarHBondContact N-O 3.41Å; S347-R475 PolarHBondContact N-O 2.97Å; S347-R475 PolarHBondContact O-N 2.89Å; S347-R475 PolarHBondContact OG-NE 3.49Å; S347-R475 PolarHBondContact OG-NH2 3.43Å; N378-R475 PolarHBondContact OD1-NH1 2.89Å; V379-R475 HydrophobicContact CG1-CB 4.44Å; V379-R475 HydrophobicContact CG2-CB 4.46Å
476V88.6Confident86.1Confident3 Ų348.5 Ų48.52%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-77.1142.6176.7-1750000109.4N310 I312 F480 A485N310-V476 HydrophobicContact CB-CB 4.18Å; N310-V476 PolarHBondContact O-N 2.84Å; I312-V476 HydrophobicContact CD1-CG2 3.72Å; I312-V476 HydrophobicContact CG1-CG2 4.27Å; V476-F480 HydrophobicContact CG1-CB 3.86Å; V476-F480 HydrophobicContact CG1-CD1 3.89Å; V476-F480 HydrophobicContact CG1-CG 4.29Å; V476-A485 HydrophobicContact CB-CB 4.48Å; V476-A485 HydrophobicContact CG1-CB 3.93Å; V476-A485 HydrophobicContact CG2-CB 3.65Å
477K86.7Confident86.5Confident127 Ų12752.6 Ų52.655%0.55228%0.284SS*.PPolyproline II helixtrans-64.5143179-164.8175.4-176.1177.50111.1W344 A346 G479 F480W344-K477 WeakPolarHBondContact O-CB 3.23Å; W344-K477 PolarHBondContact O-N 3.03Å; A346-K477 HydrophobicContact CB-CB 4.31Å; K477-G479 PolarHBondContact O-N 2.61Å; K477-F480 PolarHBondContact O-N 2.98Å
478E80.3Confident87Confident183 Ų18351.6 Ų51.686%0.85527%0.27SS*.THydrogen-bonded Turntrans-54.3130.9177.3-66.1-176.3178.600111.3
479G79.5Confident87.4Confident89 Ų8949.1 Ų49.192%0.91826%0.261SS*.THydrogen-bonded Turntrans93-7.617900000116K477K477-G479 PolarHBondContact O-N 2.61Å
480F85.1Confident87.7Confident67 Ų6750.4 Ų50.429%0.29427%0.269SS..SBendtrans-93.4138.3174.3-164.1-89.8000110.9W344 V476 K477 S482 E484 A485W344-F480 HydrophobicContact CB-CD1 3.89Å; W344-F480 HydrophobicContact CB-CD2 3.96Å; W344-F480 HydrophobicContact CB-CE1 3.98Å; W344-F480 HydrophobicContact CB-CE2 4.06Å; W344-F480 HydrophobicContact CB-CG 3.87Å; W344-F480 HydrophobicContact CB-CZ 4.07Å; W344-F480 HydrophobicContact CD2-CZ 4.49Å; W344-F480 HydrophobicContact CG-CD1 4.4Å; W344-F480 HydrophobicContact CG-CE1 4.11Å; W344-F480 HydrophobicContact CG-CZ 4.26Å; V476-F480 HydrophobicContact CG1-CB 3.86Å; V476-F480 HydrophobicContact CG1-CD1 3.89Å; V476-F480 HydrophobicContact CG1-CG 4.29Å; K477-F480 PolarHBondContact O-N 2.98Å; F480-S482 PolarHBondContact O-N 2.72Å; F480-E484 HydrophobicContact CE1-CB 4.11Å; F480-E484 HydrophobicContact CE1-CG 4.21Å; F480-E484 HydrophobicContact CZ-CB 4.46Å; F480-E484 HydrophobicContact CZ-CG 4.12Å; F480-A485 HydrophobicContact CD1-CB 3.86Å; F480-A485 HydrophobicContact CE1-CB 3.78Å
481D86Confident88Confident72 Ų7256.2 Ų56.239%0.38529%0.288SS..  trans-70.6121.8179.9-173.128.9000110.5A483 E484 A485 K512D481-A483 VanDerWaalsContact C-N 3.28Å; D481-A483 PolarHBondContact O-N 3.04Å; D481-E484 HydrophobicContact CB-CB 4.27Å; D481-E484 PolarHBondContact O-N 2.87Å; D481-A485 PolarHBondContact O-N 2.87Å; D481-K512 IonicContact OD1-NZ 3.02Å; D481-K512 PolarHBondContact OD1-NZ 2.97Å
482S83.4Confident88.1Confident3 Ų357.2 Ų57.22%0.02129%0.292CS..Hα-helixtrans-65.6-29.8-177.848.20000113.4F480 E484 A485 E486 D508F480-S482 PolarHBondContact O-N 2.72Å; S482-E484 VanDerWaalsContact C-N 3.34Å; S482-A485 PolarHBondContact O-N 3.01Å; S482-E486 VanDerWaalsContact O-CB 3.31Å; S482-E486 WeakPolarHBondContact O-CB 3.34Å; S482-E486 PolarHBondContact O-N 2.8Å; S482-D508 WeakPolarHBondContact CB-OD2 3.39Å; S482-D508 WeakPolarHBondContact OG-CB 3.36Å; S482-D508 VanDerWaalsContact OG-CG 3.28Å; S482-D508 PolarHBondContact OG-OD2 2.85Å
483A86.1Confident88.2Confident40 Ų4057.2 Ų57.233%0.33129%0.292SS..Hα-helixtrans-66.1-39174.800000111.4D481 Q487D481-A483 VanDerWaalsContact C-N 3.28Å; D481-A483 PolarHBondContact O-N 3.04Å; A483-Q487 WeakPolarHBondContact O-CG 3.36Å; A483-Q487 PolarHBondContact O-N 2.99Å
484E89.7Confident88.3Confident93 Ų9358.8 Ų58.844%0.43530%0.303SS..Hα-helixtrans-67.7-43.3172.8-171.4175.4-176.100110.8F480 D481 S482 E486 Q487 Q488F480-E484 HydrophobicContact CE1-CB 4.11Å; F480-E484 HydrophobicContact CE1-CG 4.21Å; F480-E484 HydrophobicContact CZ-CB 4.46Å; F480-E484 HydrophobicContact CZ-CG 4.12Å; D481-E484 HydrophobicContact CB-CB 4.27Å; D481-E484 PolarHBondContact O-N 2.87Å; S482-E484 VanDerWaalsContact C-N 3.34Å; E484-E486 VanDerWaalsContact C-N 3.31Å; E484-E486 PolarHBondContact O-N 3.5Å; E484-Q487 PolarHBondContact O-N 3.49Å; E484-Q488 HydrophobicContact CG-CG 4.47Å; E484-Q488 VanDerWaalsContact O-CG 3.3Å; E484-Q488 WeakPolarHBondContact O-CG 3.17Å; E484-Q488 PolarHBondContact O-N 3.39Å
485A90.8Very high88.4Confident1 Ų165.7 Ų65.71%0.00834%0.339CS..Hα-helixtrans-60-41.1177.400000112I312 V476 F480 D481 S482 Q488 L489I312-A485 HydrophobicContact CD1-CB 3.98Å; V476-A485 HydrophobicContact CB-CB 4.48Å; V476-A485 HydrophobicContact CG1-CB 3.93Å; V476-A485 HydrophobicContact CG2-CB 3.65Å; F480-A485 HydrophobicContact CD1-CB 3.86Å; F480-A485 HydrophobicContact CE1-CB 3.78Å; D481-A485 PolarHBondContact O-N 2.87Å; S482-A485 PolarHBondContact O-N 3.01Å; A485-Q488 PolarHBondContact O-N 3.47Å; A485-L489 WeakPolarHBondContact O-CB 3.25Å; A485-L489 PolarHBondContact O-N 2.86Å
486E90.4Very high88.5Confident47 Ų4768.2 Ų68.222%0.2235%0.349CS..Hα-helixtrans-63.8-42.6176.9-177.2177-172.600112.1I312 S482 E484 L489 T490 T504 N506I312-E486 HydrophobicContact CD1-CB 3.95Å; S482-E486 VanDerWaalsContact O-CB 3.31Å; S482-E486 WeakPolarHBondContact O-CB 3.34Å; S482-E486 PolarHBondContact O-N 2.8Å; E484-E486 VanDerWaalsContact C-N 3.31Å; E484-E486 PolarHBondContact O-N 3.5Å; E486-L489 PolarHBondContact O-N 3.38Å; E486-T490 WeakPolarHBondContact O-CB 3.38Å; E486-T490 PolarHBondContact O-N 3.47Å; E486-T490 PolarHBondContact O-OG1 3.09Å; E486-T504 WeakPolarHBondContact CG-OG1 3.37Å; E486-T504 PolarHBondContact OE1-OG1 2.84Å; E486-N506 VanDerWaalsContact OE2-CB 3.29Å; E486-N506 WeakPolarHBondContact OE2-CB 3.39Å; E486-N506 PolarHBondContact OE2-ND2 3.38Å
487Q91.1Very high88.5Confident120 Ų12069.9 Ų69.956%0.56136%0.356SS*.Hα-helixtrans-65.1-42.6175.5-72-177.18.700111.8A483 E484 T490 R491A483-Q487 WeakPolarHBondContact O-CG 3.36Å; A483-Q487 PolarHBondContact O-N 2.99Å; E484-Q487 PolarHBondContact O-N 3.49Å; Q487-T490 PolarHBondContact O-N 3.18Å; Q487-R491 WeakPolarHBondContact O-CG 3.37Å; Q487-R491 PolarHBondContact O-N 2.93Å
488Q91.9Very high88.4Confident64 Ų6467.2 Ų67.230%0.29937%0.365SS..Hα-helixtrans-66-41176.5-65-65.3-12.800111.5W344 E484 A485 R491 L492W344-Q488 HydrophobicContact CH2-CB 4.17Å; W344-Q488 HydrophobicContact CZ2-CB 3.61Å; W344-Q488 HydrophobicContact CZ2-CG 4.35Å; E484-Q488 HydrophobicContact CG-CG 4.47Å; E484-Q488 VanDerWaalsContact O-CG 3.3Å; E484-Q488 WeakPolarHBondContact O-CG 3.17Å; E484-Q488 PolarHBondContact O-N 3.39Å; A485-Q488 PolarHBondContact O-N 3.47Å; Q488-R491 PolarHBondContact O-N 3.36Å; Q488-L492 WeakPolarHBondContact O-CB 3.46Å; Q488-L492 PolarHBondContact O-N 3.42Å
489L92.1Very high88.7Confident3 Ų362.3 Ų62.32%0.01634%0.341CS..Hα-helixtrans-63-43.1175.8-173.962.4000111.3I312 V314 I339 V474 A485 E486 R491 L492 L493I312-L489 HydrophobicContact CB-CD2 4.35Å; I312-L489 HydrophobicContact CG2-CD2 3.88Å; V314-L489 HydrophobicContact CG2-CD2 3.73Å; V314-L489 HydrophobicContact CG2-CG 4.45Å; I339-L489 HydrophobicContact CB-CD1 4.44Å; I339-L489 HydrophobicContact CD1-CD1 3.98Å; I339-L489 HydrophobicContact CG1-CD1 3.68Å; I339-L489 HydrophobicContact CG2-CD1 4.02Å; V474-L489 HydrophobicContact CB-CD2 4.38Å; V474-L489 HydrophobicContact CG2-CD2 4Å; A485-L489 WeakPolarHBondContact O-CB 3.25Å; A485-L489 PolarHBondContact O-N 2.86Å; E486-L489 PolarHBondContact O-N 3.38Å; L489-R491 VanDerWaalsContact C-N 3.34Å; L489-R491 PolarHBondContact O-N 3.4Å; L489-L492 PolarHBondContact O-N 2.93Å; L489-L493 HydrophobicContact CD1-CD1 4.4Å; L489-L493 HydrophobicContact CG-CD1 4.32Å; L489-L493 PolarHBondContact O-N 2.89Å
490T92Very high88.9Confident27 Ų2764.7 Ų64.717%0.16633%0.326CS..Hα-helixtrans-62.2-41.6175.3-58.70000111.4E486 Q487 S494 F502E486-T490 WeakPolarHBondContact O-CB 3.38Å; E486-T490 PolarHBondContact O-N 3.47Å; E486-T490 PolarHBondContact O-OG1 3.09Å; Q487-T490 PolarHBondContact O-N 3.18Å; T490-S494 VanDerWaalsContact O-CB 3.24Å; T490-S494 WeakPolarHBondContact O-CB 3.48Å; T490-S494 PolarHBondContact O-N 3.47Å; T490-S494 PolarHBondContact O-OG 3.3Å; T490-F502 HydrophobicContact CG2-CE2 4.02Å; T490-F502 HydrophobicContact CG2-CZ 3.88Å; T490-F502 WeakPolarHBondContact O-CZ 3.22Å
491R91.6Very high88.8Confident162 Ų16261.9 Ų61.961%0.61131%0.313SS*.Hα-helixtrans-65.6-43.4175.5-73.3175.1-177.8-172.82.8111.9Q487 Q488 L489 L495Q487-R491 WeakPolarHBondContact O-CG 3.37Å; Q487-R491 PolarHBondContact O-N 2.93Å; Q488-R491 PolarHBondContact O-N 3.36Å; L489-R491 VanDerWaalsContact C-N 3.34Å; L489-R491 PolarHBondContact O-N 3.4Å; R491-L495 WeakPolarHBondContact O-CB 3.28Å; R491-L495 PolarHBondContact O-N 2.87Å
492L92.5Very high88.9Confident33 Ų3358.6 Ų58.617%0.17330%0.296CS..Hα-helixtrans-60.1-50179178.566.6000111.6I339 Q342 Q488 L489 L495 R496I339-L492 HydrophobicContact CG1-CD2 4.35Å; Q342-L492 HydrophobicContact CG-CD2 3.78Å; Q488-L492 WeakPolarHBondContact O-CB 3.46Å; Q488-L492 PolarHBondContact O-N 3.42Å; L489-L492 PolarHBondContact O-N 2.93Å; L492-L495 PolarHBondContact O-N 3.02Å; L492-R496 WeakPolarHBondContact O-CG 3.37Å; L492-R496 PolarHBondContact O-N 3.13Å; L492-R496 VanDerWaalsContact O-N 3.12Å
493L90.5Very high89Confident0 Ų059.7 Ų59.70%030%0.3CS..Hα-helixtrans-69.5-40.1-179.3-71.1175.9000112V314 D335 I339 L489 L495 R496 H497 F502V314-L493 HydrophobicContact CG1-CD1 3.59Å; V314-L493 HydrophobicContact CG2-CD1 4.2Å; D335-L493 HydrophobicContact CB-CD2 4.03Å; I339-L493 HydrophobicContact CD1-CD2 4.18Å; I339-L493 HydrophobicContact CG1-CD2 4.48Å; L489-L493 HydrophobicContact CD1-CD1 4.4Å; L489-L493 HydrophobicContact CG-CD1 4.32Å; L489-L493 PolarHBondContact O-N 2.89Å; L493-L495 VanDerWaalsContact C-N 3.28Å; L493-L495 PolarHBondContact O-N 2.73Å; L493-R496 PolarHBondContact O-N 3.1Å; L493-R496 VanDerWaalsContact O-N 3.13Å; L493-H497 WeakPolarHBondContact O-CB 3.35Å; L493-H497 PolarHBondContact O-N 3.47Å; L493-F502 HydrophobicContact CB-CD1 3.83Å; L493-F502 HydrophobicContact CB-CD2 4.42Å; L493-F502 HydrophobicContact CB-CE1 3.33Å; L493-F502 HydrophobicContact CB-CE2 3.97Å; L493-F502 HydrophobicContact CB-CG 4.38Å; L493-F502 HydrophobicContact CB-CZ 3.43Å; L493-F502 VanDerWaalsContact CB-CZ 3.43Å; L493-F502 HydrophobicContact CD1-CD1 4.4Å; L493-F502 HydrophobicContact CD1-CD2 3.86Å; L493-F502 HydrophobicContact CD1-CE1 4.47Å; L493-F502 HydrophobicContact CD1-CE2 3.92Å; L493-F502 HydrophobicContact CD1-CG 4.14Å; L493-F502 HydrophobicContact CD1-CZ 4.25Å; L493-F502 HydrophobicContact CG-CZ 4.47Å
494S90.4Very high89.2Confident36 Ų3659.1 Ų59.125%0.25229%0.293SS..Hα-helixtrans-62.3-36.8175.7-57.50000112T490 G498T490-S494 VanDerWaalsContact O-CB 3.24Å; T490-S494 WeakPolarHBondContact O-CB 3.48Å; T490-S494 PolarHBondContact O-N 3.47Å; T490-S494 PolarHBondContact O-OG 3.3Å; S494-G498 WeakPolarHBondContact O-CA 3.4Å; S494-G498 PolarHBondContact O-N 3.07Å
495L90.6Very high88.9Confident147 Ų14759.9 Ų59.977%0.7729%0.292SS*.Hα-helixtrans-66.2-39.7174.9-176.568.4000111.8R491 L492 L493R491-L495 WeakPolarHBondContact O-CB 3.28Å; R491-L495 PolarHBondContact O-N 2.87Å; L492-L495 PolarHBondContact O-N 3.02Å; L493-L495 VanDerWaalsContact C-N 3.28Å; L493-L495 PolarHBondContact O-N 2.73Å
496R89.7Confident88.6Confident116 Ų11660.8 Ų60.844%0.43830%0.296SS..Hα-helixtrans-74.6-40.3-178.9-71.9-179.166.581.11.7113D334 D335 L492 L493D334-R496 PolarHBondContact O-NH2 3.46Å; D335-R496 IonicContact OD1-CZ 3.88Å; D335-R496 IonicContact OD1-NE 3.32Å; D335-R496 PolarHBondContact OD1-NE 3.33Å; D335-R496 IonicContact OD1-NH2 3.47Å; D335-R496 PolarHBondContact OD1-NH2 3.18Å; L492-R496 WeakPolarHBondContact O-CG 3.37Å; L492-R496 PolarHBondContact O-N 3.13Å; L492-R496 VanDerWaalsContact O-N 3.12Å; L493-R496 PolarHBondContact O-N 3.1Å; L493-R496 VanDerWaalsContact O-N 3.13Å
497H88.1Confident87.9Confident38 Ų3859.5 Ų59.518%0.17629%0.29CS..Hα-helixtrans-86-19.1-176.8-64.3-166.7000112.1A330 D335 L493 K499 D501A330-H497 PolarHBondContact O-CE1 2.84Å; D335-H497 IonicContact OD1-NE2 2.78Å; D335-H497 IonicContact OD2-NE2 3.88Å; D335-H497 PolarHBondContact OD2-NE2 2.85Å; L493-H497 WeakPolarHBondContact O-CB 3.35Å; L493-H497 PolarHBondContact O-N 3.47Å; H497-K499 PolarHBondContact O-N 3.49Å; H497-D501 IonicContact CE1-OD1 2.88Å; H497-D501 IonicContact CG-OD1 3.62Å; H497-D501 IonicContact CG-OD2 3.33Å; H497-D501 IonicContact ND1-OD1 3.19Å; H497-D501 PolarHBondContact ND1-OD1 3.45Å; H497-D501 IonicContact ND1-OD2 3.56Å; H497-D501 PolarHBondContact ND1-OD2 2.97Å
498G85Confident87.1Confident71 Ų7154.2 Ų54.273%0.73227%0.266SS*.SBendtrans73.4-1.8-17600000114.2S494S494-G498 WeakPolarHBondContact O-CA 3.4Å; S494-G498 PolarHBondContact O-N 3.07Å
499K85.4Confident86.3Confident80 Ų8053 Ų5335%0.34827%0.27SS..SBendtrans-149.6163.8177.957.6178.6179.21690109H497 D501H497-K499 PolarHBondContact O-N 3.49Å; K499-D501 HydrophobicContact CD-CB 4.24Å; K499-D501 WeakPolarHBondContact CE-OD2 3.48Å; K499-D501 HydrophobicContact CG-CB 4.12Å; K499-D501 PolarHBondContact O-N 3.41Å
500K84.3Confident85.6Confident139 Ų13955.8 Ų55.860%0.60429%0.287SS*.  trans-93.292171.4-171.6175175.4175.20109F502K500-F502 HydrophobicContact CG-CE1 4.49Å
501D84.4Confident84.9Confident7 Ų755.3 Ų55.34%0.03728%0.284CS..  trans-116.419.4-178.758.5-5.4000112.7G317 Y327 A330 H497 K499G317-D501 PolarHBondContact N-O 3.44Å; G317-D501 CarbonylContact O-C 3.59Å; Y327-D501 HydrophobicContact CD1-CB 3.38Å; Y327-D501 HydrophobicContact CE1-CB 3.56Å; A330-D501 HydrophobicContact CB-CB 4.13Å; A330-D501 VanDerWaalsContact CB-OD2 3.29Å; A330-D501 WeakPolarHBondContact CB-OD2 3.48Å; H497-D501 IonicContact CE1-OD1 2.88Å; H497-D501 IonicContact CG-OD1 3.62Å; H497-D501 IonicContact CG-OD2 3.33Å; H497-D501 IonicContact ND1-OD1 3.19Å; H497-D501 PolarHBondContact ND1-OD1 3.45Å; H497-D501 IonicContact ND1-OD2 3.56Å; H497-D501 PolarHBondContact ND1-OD2 2.97Å; K499-D501 HydrophobicContact CD-CB 4.24Å; K499-D501 WeakPolarHBondContact CE-OD2 3.48Å; K499-D501 HydrophobicContact CG-CB 4.12Å; K499-D501 PolarHBondContact O-N 3.41Å
502F86.2Confident84.4Confident3 Ų352 Ų521%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-138.1158.8176.465.8-84.2000109.6V314 Y315 G317 T490 L493 K500 T504V314-F502 HydrophobicContact CG1-CB 4.07Å; V314-F502 HydrophobicContact CG1-CD2 4.01Å; V314-F502 HydrophobicContact CG1-CG 4.28Å; Y315-F502 CarbonylContact O-C 3.54Å; Y315-F502 WeakPolarHBondContact O-CA 3.25Å; Y315-F502 VanDerWaalsContact O-CB 3.27Å; Y315-F502 WeakPolarHBondContact O-CB 3.29Å; G317-F502 CarbonylContact O-C 3.55Å; G317-F502 VanDerWaalsContact O-C 3.25Å; G317-F502 VanDerWaalsContact O-CA 3.29Å; G317-F502 WeakPolarHBondContact O-CA 3.4Å; G317-F502 PolarHBondContact O-N 3.01Å; T490-F502 HydrophobicContact CG2-CE2 4.02Å; T490-F502 HydrophobicContact CG2-CZ 3.88Å; T490-F502 WeakPolarHBondContact O-CZ 3.22Å; L493-F502 HydrophobicContact CB-CD1 3.83Å; L493-F502 HydrophobicContact CB-CD2 4.42Å; L493-F502 HydrophobicContact CB-CE1 3.33Å; L493-F502 HydrophobicContact CB-CE2 3.97Å; L493-F502 HydrophobicContact CB-CG 4.38Å; L493-F502 HydrophobicContact CB-CZ 3.43Å; L493-F502 VanDerWaalsContact CB-CZ 3.43Å; L493-F502 HydrophobicContact CD1-CD1 4.4Å; L493-F502 HydrophobicContact CD1-CD2 3.86Å; L493-F502 HydrophobicContact CD1-CE1 4.47Å; L493-F502 HydrophobicContact CD1-CE2 3.92Å; L493-F502 HydrophobicContact CD1-CG 4.14Å; L493-F502 HydrophobicContact CD1-CZ 4.25Å; L493-F502 HydrophobicContact CG-CZ 4.47Å; K500-F502 HydrophobicContact CG-CE1 4.49Å; F502-T504 HydrophobicContact CD2-CG2 4.33Å; F502-T504 HydrophobicContact CE2-CG2 4.34Å
503F87.3Confident84Confident27 Ų2754.5 Ų54.512%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-129.3154167.968.3-85.7000110.2Y315 P316 K318 D319 F320Y315-F503 HydrophobicContact CD2-CD2 4.29Å; Y315-F503 AromaticContact CD2-CE2 3.62Å; Y315-F503 HydrophobicContact CD2-CE2 3.62Å; Y315-F503 AromaticContact CD2-CZ 3.93Å; Y315-F503 HydrophobicContact CD2-CZ 3.93Å; Y315-F503 HydrophobicContact CG-CE1 4.35Å; Y315-F503 AromaticContact CG-CE2 3.95Å; Y315-F503 HydrophobicContact CG-CE2 3.95Å; Y315-F503 AromaticContact CG-CZ 3.75Å; Y315-F503 HydrophobicContact CG-CZ 3.75Å; Y315-F503 PolarHBondContact N-O 3.21Å; Y315-F503 PolarHBondContact O-N 2.82Å; P316-F503 VanDerWaalsContact O-CE1 3.3Å; P316-F503 WeakPolarHBondContact O-CE1 3.37Å; K318-F503 WeakPolarHBondContact O-CB 3.47Å; D319-F503 WeakPolarHBondContact O-CE1 3.41Å; F320-F503 HydrophobicContact CD1-CE2 4.03Å; F320-F503 AromaticContact CD1-CZ 3.66Å; F320-F503 HydrophobicContact CD1-CZ 3.66Å; F320-F503 AromaticContact CD2-CE2 3.94Å; F320-F503 HydrophobicContact CD2-CE2 3.94Å; F320-F503 HydrophobicContact CD2-CZ 4.16Å; F320-F503 AromaticContact CE1-CE2 3.8Å; F320-F503 HydrophobicContact CE1-CE2 3.8Å; F320-F503 AromaticContact CE1-CZ 3.81Å; F320-F503 HydrophobicContact CE1-CZ 3.81Å; F320-F503 AromaticContact CE2-CE2 3.72Å; F320-F503 HydrophobicContact CE2-CE2 3.72Å; F320-F503 HydrophobicContact CE2-CZ 4.3Å; F320-F503 HydrophobicContact CG-CE2 4.1Å; F320-F503 AromaticContact CG-CZ 3.84Å; F320-F503 HydrophobicContact CG-CZ 3.84Å; F320-F503 AromaticContact CZ-CE2 3.65Å; F320-F503 HydrophobicContact CZ-CE2 3.65Å; F320-F503 HydrophobicContact CZ-CZ 4.14Å
504T88.4Confident83.6Confident28 Ų2856.2 Ų56.217%0.17230%0.301CS..EExtended strand (participates in β ladder)trans-111.4144.3-178.849.50000110.1I312 D313 V314 E486 F502I312-T504 HydrophobicContact CG2-CG2 4.08Å; D313-T504 CarbonylContact O-C 3.56Å; D313-T504 VanDerWaalsContact O-CA 3.28Å; D313-T504 WeakPolarHBondContact O-CA 3.4Å; V314-T504 HydrophobicContact CG2-CG2 4.33Å; E486-T504 WeakPolarHBondContact CG-OG1 3.37Å; E486-T504 PolarHBondContact OE1-OG1 2.84Å; F502-T504 HydrophobicContact CD2-CG2 4.33Å; F502-T504 HydrophobicContact CE2-CG2 4.34Å
505W84.6Confident83.3Confident109 Ų10957.5 Ų57.541%0.41330%0.303SS..EExtended strand (participates in β ladder)trans-124.1119.4170.4-169.464.7000109.6I312 D313 Y315 M507I312-W505 WeakPolarHBondContact CA-O 3.24Å; D313-W505 PolarHBondContact N-O 2.7Å; D313-W505 PolarHBondContact O-N 2.94Å; Y315-W505 HydrophobicContact CE2-CB 4.28Å; W505-M507 HydrophobicContact CH2-CE 3.87Å; W505-M507 HydrophobicContact CH2-SD 3.94Å; W505-M507 HydrophobicContact CZ2-SD 4.47Å; W505-M507 HydrophobicContact CZ3-CE 4.22Å; W505-M507 HydrophobicContact CZ3-SD 4.44Å
506N83.7Confident83.1Confident19 Ų1957.7 Ų57.710%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-113.5116.3-172-178-5.7000110.7E486 D508 G509E486-N506 VanDerWaalsContact OE2-CB 3.29Å; E486-N506 WeakPolarHBondContact OE2-CB 3.39Å; E486-N506 PolarHBondContact OE2-ND2 3.38Å; N506-D508 VanDerWaalsContact C-N 3.29Å; N506-D508 PolarHBondContact O-N 3.5Å; N506-D508 WeakPolarHBondContact OD1-CB 3.24Å; N506-D508 PolarHBondContact OD1-N 3.18Å; N506-G509 PolarHBondContact O-N 3.43Å
507M75.3Confident83.1Confident20 Ų2055.8 Ų55.810%0.09930%0.299CS..Hα-helixtrans-70.7-24.5-177-168.760.7112.200112.9I307 T311 W505 G509 V510 L511I307-M507 HydrophobicContact CB-CE 3.97Å; I307-M507 HydrophobicContact CD1-CE 4.23Å; I307-M507 HydrophobicContact CG2-CE 3.31Å; T311-M507 PolarHBondContact O-N 2.7Å; W505-M507 HydrophobicContact CH2-CE 3.87Å; W505-M507 HydrophobicContact CH2-SD 3.94Å; W505-M507 HydrophobicContact CZ2-SD 4.47Å; W505-M507 HydrophobicContact CZ3-CE 4.22Å; W505-M507 HydrophobicContact CZ3-SD 4.44Å; M507-G509 VanDerWaalsContact C-N 3.28Å; M507-G509 PolarHBondContact O-N 2.99Å; M507-V510 WeakPolarHBondContact O-CA 3.33Å; M507-V510 WeakPolarHBondContact O-CB 3.31Å; M507-V510 PolarHBondContact O-N 3.17Å; M507-V510 VanDerWaalsContact O-N 3.07Å; M507-V510 HydrophobicContact SD-CB 4.2Å; M507-V510 HydrophobicContact SD-CG2 4.37Å; M507-L511 PolarHBondContact O-N 2.86Å
508D75.9Confident82.8Confident10 Ų1055.2 Ų55.25%0.05330%0.298CS..Hα-helixtrans-70.7-25.8-178.2-73.8-5.8000112.8N310 S482 N506 V510 L511 K512N310-D508 PolarHBondContact N-OD1 2.77Å; N310-D508 PolarHBondContact OD1-OD1 3.17Å; N310-D508 PolarHBondContact OD1-OD2 3.22Å; S482-D508 WeakPolarHBondContact CB-OD2 3.39Å; S482-D508 WeakPolarHBondContact OG-CB 3.36Å; S482-D508 VanDerWaalsContact OG-CG 3.28Å; S482-D508 PolarHBondContact OG-OD2 2.85Å; N506-D508 VanDerWaalsContact C-N 3.29Å; N506-D508 PolarHBondContact O-N 3.5Å; N506-D508 WeakPolarHBondContact OD1-CB 3.24Å; N506-D508 PolarHBondContact OD1-N 3.18Å; D508-V510 VanDerWaalsContact C-N 3.27Å; D508-V510 PolarHBondContact O-N 3.35Å; D508-L511 PolarHBondContact O-N 3.31Å; D508-K512 WeakPolarHBondContact O-CB 3.34Å; D508-K512 WeakPolarHBondContact O-CG 3.32Å; D508-K512 PolarHBondContact O-N 2.87Å
509G75Confident82.9Confident37 Ų3759.8 Ų59.838%0.38129%0.293SS..Hα-helixtrans-61.5-40.1170.400000111.4N506 M507 T513N506-G509 PolarHBondContact O-N 3.43Å; M507-G509 VanDerWaalsContact C-N 3.28Å; M507-G509 PolarHBondContact O-N 2.99Å; G509-T513 WeakPolarHBondContact O-CB 3.3Å; G509-T513 PolarHBondContact O-N 3.46Å; G509-T513 VanDerWaalsContact O-N 3.1Å; G509-T513 PolarHBondContact O-OG1 3.38Å
510V77.7Confident83.1Confident62 Ų6259 Ų5938%0.37630%0.296SS..Hα-helixtrans-69-46.4174.6-176.20000110M507 D508 K512 T513 V514M507-V510 WeakPolarHBondContact O-CA 3.33Å; M507-V510 WeakPolarHBondContact O-CB 3.31Å; M507-V510 PolarHBondContact O-N 3.17Å; M507-V510 VanDerWaalsContact O-N 3.07Å; M507-V510 HydrophobicContact SD-CB 4.2Å; M507-V510 HydrophobicContact SD-CG2 4.37Å; D508-V510 VanDerWaalsContact C-N 3.27Å; D508-V510 PolarHBondContact O-N 3.35Å; V510-K512 PolarHBondContact O-N 2.98Å; V510-T513 WeakPolarHBondContact O-CB 3.3Å; V510-T513 PolarHBondContact O-N 3.27Å; V510-T513 VanDerWaalsContact O-N 3.13Å; V510-V514 HydrophobicContact CG1-CG2 4.38Å; V510-V514 WeakPolarHBondContact O-CG2 3.5Å; V510-V514 PolarHBondContact O-N 3.33Å
511L77.1Confident83.3Confident18 Ų1857.2 Ų57.29%0.09429%0.292CS..Hα-helixtrans-57.8-50.4177.9-171.776.2000111.7L301 I304 T309 M507 D508 T513 V514 E515L301-L511 HydrophobicContact CD2-CD1 3.77Å; I304-L511 HydrophobicContact CB-CD1 4.03Å; I304-L511 HydrophobicContact CG2-CD1 3.51Å; T309-L511 HydrophobicContact CG2-CD2 4.36Å; M507-L511 PolarHBondContact O-N 2.86Å; D508-L511 PolarHBondContact O-N 3.31Å; L511-T513 VanDerWaalsContact C-N 3.26Å; L511-T513 PolarHBondContact O-N 2.94Å; L511-V514 PolarHBondContact O-N 2.97Å; L511-E515 WeakPolarHBondContact O-CB 3.43Å; L511-E515 WeakPolarHBondContact O-CG 3.4Å; L511-E515 PolarHBondContact O-N 2.92Å
512K80.6Confident83.3Confident92 Ų9258.9 Ų58.940%0.430%0.3SS..Hα-helixtrans-60.4-36.3176.8-75.4177.6-177.7170.70111.6D481 D508 V510 K516D481-K512 IonicContact OD1-NZ 3.02Å; D481-K512 PolarHBondContact OD1-NZ 2.97Å; D508-K512 WeakPolarHBondContact O-CB 3.34Å; D508-K512 WeakPolarHBondContact O-CG 3.32Å; D508-K512 PolarHBondContact O-N 2.87Å; V510-K512 PolarHBondContact O-N 2.98Å; K512-K516 WeakPolarHBondContact O-CB 3.32Å; K512-K516 VanDerWaalsContact O-CG 3.31Å; K512-K516 WeakPolarHBondContact O-CG 3.33Å; K512-K516 PolarHBondContact O-N 3.26Å
513T83.6Confident83.3Confident85 Ų8563.5 Ų63.552%0.52132%0.324SS..Hα-helixtrans-69-42.9177.2-59.80000111.5G509 V510 L511 K516 T517G509-T513 WeakPolarHBondContact O-CB 3.3Å; G509-T513 PolarHBondContact O-N 3.46Å; G509-T513 VanDerWaalsContact O-N 3.1Å; G509-T513 PolarHBondContact O-OG1 3.38Å; V510-T513 WeakPolarHBondContact O-CB 3.3Å; V510-T513 PolarHBondContact O-N 3.27Å; V510-T513 VanDerWaalsContact O-N 3.13Å; L511-T513 VanDerWaalsContact C-N 3.26Å; L511-T513 PolarHBondContact O-N 2.94Å; T513-K516 PolarHBondContact O-N 3.27Å; T513-T517 WeakPolarHBondContact O-CB 3.43Å; T513-T517 PolarHBondContact O-N 2.92Å; T513-T517 PolarHBondContact O-OG1 3.45Å
514V82.5Confident83.4Confident36 Ų3668.6 Ų68.622%0.21835%0.346CS..Hα-helixtrans-65.1-44.7174.7174.20000110.5V300 I304 V510 L511 K516 T517 T518V300-V514 HydrophobicContact CG1-CG1 3.89Å; I304-V514 HydrophobicContact CD1-CB 3.96Å; I304-V514 HydrophobicContact CD1-CG1 3.62Å; I304-V514 HydrophobicContact CD1-CG2 3.89Å; V510-V514 HydrophobicContact CG1-CG2 4.38Å; V510-V514 WeakPolarHBondContact O-CG2 3.5Å; V510-V514 PolarHBondContact O-N 3.33Å; L511-V514 PolarHBondContact O-N 2.97Å; V514-K516 PolarHBondContact O-N 3.49Å; V514-T517 PolarHBondContact O-N 3.44Å; V514-T518 WeakPolarHBondContact O-CB 3.37Å; V514-T518 PolarHBondContact O-N 2.99Å; V514-T518 PolarHBondContact O-OG1 3.43Å
515E83Confident83.1Confident64 Ų6471.4 Ų71.430%0.29936%0.36SS..Hα-helixtrans-57.4-47.1175.7-77.4-176.9170.400112.2L301 L511 R519L301-E515 HydrophobicContact CD1-CG 4.2Å; L301-E515 HydrophobicContact CD2-CG 3.46Å; L301-E515 VanDerWaalsContact CD2-CG 3.46Å; L301-E515 HydrophobicContact CG-CG 4.47Å; L511-E515 WeakPolarHBondContact O-CB 3.43Å; L511-E515 WeakPolarHBondContact O-CG 3.4Å; L511-E515 PolarHBondContact O-N 2.92Å; E515-R519 VanDerWaalsContact O-CB 3.23Å; E515-R519 WeakPolarHBondContact O-CB 3.4Å; E515-R519 PolarHBondContact O-N 2.91Å
516K87.9Confident82.8Confident151 Ų15168 Ų6866%0.65735%0.351SS*.Hα-helixtrans-62.5-42.7175.8-77.6179.3-179.9-179.60111.7K512 T513 V514 R519 T520K512-K516 WeakPolarHBondContact O-CB 3.32Å; K512-K516 VanDerWaalsContact O-CG 3.31Å; K512-K516 WeakPolarHBondContact O-CG 3.33Å; K512-K516 PolarHBondContact O-N 3.26Å; T513-K516 PolarHBondContact O-N 3.27Å; V514-K516 PolarHBondContact O-N 3.49Å; K516-R519 PolarHBondContact O-N 3.25Å; K516-T520 WeakPolarHBondContact O-CB 3.29Å; K516-T520 PolarHBondContact O-N 3.37Å; K516-T520 PolarHBondContact O-OG1 3.46Å
517T88.4Confident82.9Confident75 Ų7572.1 Ų72.146%0.4637%0.372SS..Hα-helixtrans-65.4-48.6-179.9-570000110.7T513 V514 R519 T520 L521T513-T517 WeakPolarHBondContact O-CB 3.43Å; T513-T517 PolarHBondContact O-N 2.92Å; T513-T517 PolarHBondContact O-OG1 3.45Å; V514-T517 PolarHBondContact O-N 3.44Å; T517-R519 PolarHBondContact O-N 3.18Å; T517-T520 WeakPolarHBondContact O-CB 3.36Å; T517-T520 PolarHBondContact O-N 2.85Å; T517-T520 VanDerWaalsContact O-N 3.11Å; T517-L521 HydrophobicContact CG2-CD1 4.44Å; T517-L521 PolarHBondContact O-N 3.02Å
518T83.3Confident83.3Confident27 Ų2775.5 Ų75.517%0.16639%0.394CS..Hα-helixtrans-62.8-41.3177.2-56.80000111.6K297 V514 T520 L521 Q522K297-T518 HydrophobicContact CB-CG2 3.59Å; K297-T518 HydrophobicContact CD-CG2 4.23Å; K297-T518 HydrophobicContact CG-CG2 3.68Å; V514-T518 WeakPolarHBondContact O-CB 3.37Å; V514-T518 PolarHBondContact O-N 2.99Å; V514-T518 PolarHBondContact O-OG1 3.43Å; T518-T520 VanDerWaalsContact C-N 3.32Å; T518-T520 PolarHBondContact O-N 2.92Å; T518-L521 PolarHBondContact O-N 2.92Å; T518-Q522 WeakPolarHBondContact O-CB 3.5Å; T518-Q522 WeakPolarHBondContact O-CG 3.39Å; T518-Q522 PolarHBondContact O-N 3.36Å
519R87.4Confident83.4Confident166 Ų16675.4 Ų75.463%0.62640%0.395SS*.Hα-helixtrans-62.3-39.1173.2-176.9179.1177-178.7-0.9111.9E515 K516 T517 Q522 L523E515-R519 VanDerWaalsContact O-CB 3.23Å; E515-R519 WeakPolarHBondContact O-CB 3.4Å; E515-R519 PolarHBondContact O-N 2.91Å; K516-R519 PolarHBondContact O-N 3.25Å; T517-R519 PolarHBondContact O-N 3.18Å; R519-Q522 PolarHBondContact O-N 3.45Å; R519-L523 WeakPolarHBondContact O-CG 3.47Å; R519-L523 PolarHBondContact O-N 2.95Å
520T89.4Confident83.7Confident65 Ų6576.6 Ų76.640%0.39940%0.395SS..Hα-helixtrans-66.9-42.9178.2-56.10000111.1K516 T517 T518 L523 F524K516-T520 WeakPolarHBondContact O-CB 3.29Å; K516-T520 PolarHBondContact O-N 3.37Å; K516-T520 PolarHBondContact O-OG1 3.46Å; T517-T520 WeakPolarHBondContact O-CB 3.36Å; T517-T520 PolarHBondContact O-N 2.85Å; T517-T520 VanDerWaalsContact O-N 3.11Å; T518-T520 VanDerWaalsContact C-N 3.32Å; T518-T520 PolarHBondContact O-N 2.92Å; T520-L523 WeakPolarHBondContact O-CB 3.36Å; T520-L523 PolarHBondContact O-N 3.3Å; T520-F524 HydrophobicContact CG2-CD2 4.25Å; T520-F524 HydrophobicContact CG2-CE2 3.66Å; T520-F524 HydrophobicContact CG2-CZ 4.01Å; T520-F524 WeakPolarHBondContact O-CD2 3.27Å; T520-F524 PolarHBondContact O-N 3.41Å
521L88.2Confident83.9Confident101 Ų10178.1 Ų78.153%0.52940%0.4SS..Hα-helixtrans-60.5-44.4172.4-72.1170.2000111.8T517 T518 L523 F524 L525T517-L521 HydrophobicContact CG2-CD1 4.44Å; T517-L521 PolarHBondContact O-N 3.02Å; T518-L521 PolarHBondContact O-N 2.92Å; L521-L523 VanDerWaalsContact C-N 3.31Å; L521-L523 PolarHBondContact O-N 3.34Å; L521-F524 PolarHBondContact O-N 2.94Å; L521-L525 WeakPolarHBondContact O-CG 3.13Å; L521-L525 PolarHBondContact O-N 3.25Å
522Q83.4Confident83.9Confident42 Ų4280 Ų8020%0.19641%0.414CS..Hα-helixtrans-59.5-40.2173.8-75.9179.7-14.700111.9G293 T518 R519 L525 T526G293-Q522 PolarHBondContact O-NE2 3.49Å; T518-Q522 WeakPolarHBondContact O-CB 3.5Å; T518-Q522 WeakPolarHBondContact O-CG 3.39Å; T518-Q522 PolarHBondContact O-N 3.36Å; R519-Q522 PolarHBondContact O-N 3.45Å; Q522-L525 PolarHBondContact O-N 3.18Å; Q522-T526 WeakPolarHBondContact O-CB 3.49Å; Q522-T526 VanDerWaalsContact O-CG2 3.22Å; Q522-T526 WeakPolarHBondContact O-CG2 3.21Å; Q522-T526 PolarHBondContact O-N 3.35Å; Q522-T526 PolarHBondContact O-OG1 3.46Å
523L87Confident83.9Confident100 Ų10075.9 Ų75.952%0.52440%0.396SS..Hα-helixtrans-63.8-42.3176.1-75.3172.1000112.3R519 T520 L521 T526 L527R519-L523 WeakPolarHBondContact O-CG 3.47Å; R519-L523 PolarHBondContact O-N 2.95Å; T520-L523 WeakPolarHBondContact O-CB 3.36Å; T520-L523 PolarHBondContact O-N 3.3Å; L521-L523 VanDerWaalsContact C-N 3.31Å; L521-L523 PolarHBondContact O-N 3.34Å; L523-T526 WeakPolarHBondContact CA-OG1 3.36Å; L523-T526 PolarHBondContact O-OG1 2.86Å; L523-T526 VanDerWaalsContact O-OG1 3.05Å; L523-L527 VanDerWaalsContact O-CB 3.26Å; L523-L527 WeakPolarHBondContact O-CB 3.48Å; L523-L527 PolarHBondContact O-N 3.34Å
524F88.7Confident84Confident133 Ų13374.8 Ų74.858%0.58339%0.39SS*.Hα-helixtrans-64.5-44.3176.4-67.8-41000112.2T520 L521 L527 V528T520-F524 HydrophobicContact CG2-CD2 4.25Å; T520-F524 HydrophobicContact CG2-CE2 3.66Å; T520-F524 HydrophobicContact CG2-CZ 4.01Å; T520-F524 WeakPolarHBondContact O-CD2 3.27Å; T520-F524 PolarHBondContact O-N 3.41Å; L521-F524 PolarHBondContact O-N 2.94Å; F524-L527 PolarHBondContact O-N 3.48Å; F524-V528 WeakPolarHBondContact O-CG2 3.41Å; F524-V528 PolarHBondContact O-N 2.84Å
525L81.5Confident84Confident87 Ų8777.5 Ų77.546%0.45541%0.406SS..Hα-helixtrans-65.8-41.5178.9-70.6170.8000112.2I289 L521 Q522 V528 A529I289-L525 HydrophobicContact CD1-CB 4.47Å; I289-L525 HydrophobicContact CD1-CD1 4.13Å; I289-L525 HydrophobicContact CD1-CD2 4.45Å; I289-L525 HydrophobicContact CG1-CB 3.79Å; I289-L525 HydrophobicContact CG1-CD1 4.27Å; I289-L525 HydrophobicContact CG1-CG 4.42Å; L521-L525 WeakPolarHBondContact O-CG 3.13Å; L521-L525 PolarHBondContact O-N 3.25Å; Q522-L525 PolarHBondContact O-N 3.18Å; L525-V528 PolarHBondContact O-N 2.91Å; L525-A529 PolarHBondContact O-N 3.39Å; L525-A529 VanDerWaalsContact O-N 3.07Å
526T80.2Confident83.9Confident38 Ų3875 Ų7523%0.23340%0.397CS..Hα-helixtrans-67.5-3817651.60000111.6V290 Q522 L523 A529 V530V290-T526 HydrophobicContact CG2-CG2 3.53Å; Q522-T526 WeakPolarHBondContact O-CB 3.49Å; Q522-T526 VanDerWaalsContact O-CG2 3.22Å; Q522-T526 WeakPolarHBondContact O-CG2 3.21Å; Q522-T526 PolarHBondContact O-N 3.35Å; Q522-T526 PolarHBondContact O-OG1 3.46Å; L523-T526 WeakPolarHBondContact CA-OG1 3.36Å; L523-T526 PolarHBondContact O-OG1 2.86Å; L523-T526 VanDerWaalsContact O-OG1 3.05Å; T526-A529 PolarHBondContact O-N 3.03Å; T526-V530 WeakPolarHBondContact O-CB 3.46Å; T526-V530 VanDerWaalsContact O-CG2 3.27Å; T526-V530 WeakPolarHBondContact O-CG2 3.28Å; T526-V530 PolarHBondContact O-N 3Å
527L85.8Confident83.9Confident105 Ų10568 Ų6855%0.5537%0.368SS..Hα-helixtrans-61.2-45175.1-175.366.8000111.8L523 F524 A529 V530 I531L523-L527 VanDerWaalsContact O-CB 3.26Å; L523-L527 WeakPolarHBondContact O-CB 3.48Å; L523-L527 PolarHBondContact O-N 3.34Å; F524-L527 PolarHBondContact O-N 3.48Å; L527-A529 VanDerWaalsContact C-N 3.31Å; L527-A529 PolarHBondContact O-N 3.4Å; L527-V530 PolarHBondContact O-N 2.94Å; L527-I531 HydrophobicContact CG-CD1 4.32Å; L527-I531 VanDerWaalsContact O-CG1 3.31Å; L527-I531 WeakPolarHBondContact O-CG1 3.42Å; L527-I531 PolarHBondContact O-N 3.43Å
528V82.4Confident83.9Confident92 Ų9267.8 Ų67.856%0.55836%0.363SS*.Hα-helixtrans-60.7-42.4175.3173.10000111F524 L525 V530 I531 S532F524-V528 WeakPolarHBondContact O-CG2 3.41Å; F524-V528 PolarHBondContact O-N 2.84Å; L525-V528 PolarHBondContact O-N 2.91Å; V528-V530 PolarHBondContact O-N 2.92Å; V528-I531 WeakPolarHBondContact O-CB 3.21Å; V528-I531 PolarHBondContact O-N 3.37Å; V528-S532 PolarHBondContact O-N 2.83Å; V528-S532 VanDerWaalsContact O-N 3.08Å; V528-S532 PolarHBondContact O-OG 3.13Å
529A78.2Confident84.1Confident8 Ų867.9 Ų67.97%0.06637%0.369CS..Hα-helixtrans-66.6-37.2177.900000112.5V286 I289 L525 T526 L527 S532 L533V286-A529 HydrophobicContact CB-CB 4.15Å; V286-A529 VanDerWaalsContact CG2-C 3.5Å; V286-A529 HydrophobicContact CG2-CB 3.45Å; V286-A529 VanDerWaalsContact CG2-CB 3.45Å; V286-A529 WeakPolarHBondContact CG2-O 3.45Å; I289-A529 HydrophobicContact CG2-CB 4Å; L525-A529 PolarHBondContact O-N 3.39Å; L525-A529 VanDerWaalsContact O-N 3.07Å; T526-A529 PolarHBondContact O-N 3.03Å; L527-A529 VanDerWaalsContact C-N 3.31Å; L527-A529 PolarHBondContact O-N 3.4Å; A529-S532 WeakPolarHBondContact O-CB 3.18Å; A529-S532 PolarHBondContact O-N 2.86Å; A529-L533 PolarHBondContact O-N 3.12Å; A529-L533 VanDerWaalsContact O-N 3.14Å
530V80.4Confident84.1Confident62 Ų6260 Ų6038%0.37634%0.34SS..Hα-helixtrans-65.3-38.3173170.40000111.2T526 L527 V528 S532 L533 V534T526-V530 WeakPolarHBondContact O-CB 3.46Å; T526-V530 VanDerWaalsContact O-CG2 3.27Å; T526-V530 WeakPolarHBondContact O-CG2 3.28Å; T526-V530 PolarHBondContact O-N 3Å; L527-V530 PolarHBondContact O-N 2.94Å; V528-V530 PolarHBondContact O-N 2.92Å; V530-S532 VanDerWaalsContact C-N 3.33Å; V530-S532 PolarHBondContact O-N 3.44Å; V530-L533 WeakPolarHBondContact O-CB 3.08Å; V530-L533 PolarHBondContact O-N 2.68Å; V530-L533 VanDerWaalsContact O-N 3.13Å; V530-V534 WeakPolarHBondContact O-CG2 3.4Å; V530-V534 PolarHBondContact O-N 3.22Å
531I83.2Confident84.3Confident94 Ų9459 Ų5948%0.48233%0.331SS..Hα-helixtrans-60.3-43.8173.5-69.2164.4000110.5L527 V528 L533 V534 V535L527-I531 HydrophobicContact CG-CD1 4.32Å; L527-I531 VanDerWaalsContact O-CG1 3.31Å; L527-I531 WeakPolarHBondContact O-CG1 3.42Å; L527-I531 PolarHBondContact O-N 3.43Å; V528-I531 WeakPolarHBondContact O-CB 3.21Å; V528-I531 PolarHBondContact O-N 3.37Å; I531-L533 PolarHBondContact O-N 2.59Å; I531-V534 WeakPolarHBondContact O-CB 3.41Å; I531-V534 PolarHBondContact O-N 3.28Å; I531-V534 VanDerWaalsContact O-N 3.1Å; I531-V535 WeakPolarHBondContact O-CG2 3.33Å; I531-V535 PolarHBondContact O-N 2.98Å
532S77.8Confident84.4Confident56 Ų5658.3 Ų58.339%0.39233%0.328SS..Hα-helixtrans-59.1-36.1175-60.80000112.5V528 A529 V530 V535 G536V528-S532 PolarHBondContact O-N 2.83Å; V528-S532 VanDerWaalsContact O-N 3.08Å; V528-S532 PolarHBondContact O-OG 3.13Å; A529-S532 WeakPolarHBondContact O-CB 3.18Å; A529-S532 PolarHBondContact O-N 2.86Å; V530-S532 VanDerWaalsContact C-N 3.33Å; V530-S532 PolarHBondContact O-N 3.44Å; S532-V535 PolarHBondContact O-N 3.35Å; S532-G536 PolarHBondContact O-N 2.81Å
533L80.6Confident84.6Confident6 Ų658.5 Ų58.53%0.03133%0.33CS..Hα-helixtrans-67.9-40174.6-17663.9000112.3I283 A529 V530 I531 V535 G536 G537 C620 T624I283-L533 HydrophobicContact CD1-CD1 4.28Å; I283-L533 HydrophobicContact CG1-CD1 3.8Å; A529-L533 PolarHBondContact O-N 3.12Å; A529-L533 VanDerWaalsContact O-N 3.14Å; V530-L533 WeakPolarHBondContact O-CB 3.08Å; V530-L533 PolarHBondContact O-N 2.68Å; V530-L533 VanDerWaalsContact O-N 3.13Å; I531-L533 PolarHBondContact O-N 2.59Å; L533-V535 VanDerWaalsContact C-N 3.33Å; L533-V535 PolarHBondContact O-N 3.42Å; L533-G536 PolarHBondContact O-N 3.24Å; L533-G537 PolarHBondContact O-N 3.19Å; L533-C620 HydrophobicContact CD2-CB 4.04Å; L533-C620 WeakPolarHBondContact CD2-SG 2.93Å; L533-T624 HydrophobicContact CD2-CG2 4.43Å; L533-T624 HydrophobicContact CG-CG2 4.3Å
534V84.4Confident84.7Confident63 Ų6354.2 Ų54.238%0.38231%0.307SS..Hα-helixtrans-61.4-42.1174.2172.70000110.8V530 I531 G536 G537 I538 F628V530-V534 WeakPolarHBondContact O-CG2 3.4Å; V530-V534 PolarHBondContact O-N 3.22Å; I531-V534 WeakPolarHBondContact O-CB 3.41Å; I531-V534 PolarHBondContact O-N 3.28Å; I531-V534 VanDerWaalsContact O-N 3.1Å; V534-G536 VanDerWaalsContact C-N 3.32Å; V534-G536 PolarHBondContact O-N 3.34Å; V534-G537 WeakPolarHBondContact O-CA 3.35Å; V534-G537 PolarHBondContact O-N 2.94Å; V534-G537 VanDerWaalsContact O-N 3.13Å; V534-I538 HydrophobicContact CG1-CD1 4.34Å; V534-I538 WeakPolarHBondContact O-CG1 3.17Å; V534-I538 PolarHBondContact O-N 3.31Å; V534-F628 HydrophobicContact CG1-CZ 4.16Å
535V83.2Confident84.8Confident93 Ų9350.5 Ų50.556%0.56429%0.293SS*.Hα-helixtrans-60.8-42.3174.2175.10000111I531 S532 L533 G537 I538 G539I531-V535 WeakPolarHBondContact O-CG2 3.33Å; I531-V535 PolarHBondContact O-N 2.98Å; S532-V535 PolarHBondContact O-N 3.35Å; L533-V535 VanDerWaalsContact C-N 3.33Å; L533-V535 PolarHBondContact O-N 3.42Å; V535-G537 VanDerWaalsContact C-N 3.33Å; V535-G537 PolarHBondContact O-N 2.97Å; V535-I538 PolarHBondContact O-N 3.29Å; V535-G539 PolarHBondContact O-N 2.87Å; V535-G539 VanDerWaalsContact O-N 3.13Å
536G81.6Confident85.2Confident11 Ų1149.5 Ų49.511%0.11329%0.291CS..Hα-helixtrans-57.9-43.8171.800000112.6S532 L533 V534 G539 V540S532-G536 PolarHBondContact O-N 2.81Å; L533-G536 PolarHBondContact O-N 3.24Å; V534-G536 VanDerWaalsContact C-N 3.32Å; V534-G536 PolarHBondContact O-N 3.34Å; G536-G539 WeakPolarHBondContact O-CA 3.36Å; G536-G539 PolarHBondContact O-N 2.84Å; G536-G539 VanDerWaalsContact O-N 3.15Å; G536-V540 PolarHBondContact O-N 3.22Å; G536-V540 VanDerWaalsContact O-N 3.14Å
537G87Confident85.5Confident4 Ų447.9 Ų47.94%0.04128%0.281CS..Hα-helixtrans-62.4-40.1175.900000114L533 V534 V535 G539 V540 M541 F628L533-G537 PolarHBondContact O-N 3.19Å; V534-G537 WeakPolarHBondContact O-CA 3.35Å; V534-G537 PolarHBondContact O-N 2.94Å; V534-G537 VanDerWaalsContact O-N 3.13Å; V535-G537 VanDerWaalsContact C-N 3.33Å; V535-G537 PolarHBondContact O-N 2.97Å; G537-G539 VanDerWaalsContact C-N 3.26Å; G537-G539 PolarHBondContact O-N 2.69Å; G537-V540 WeakPolarHBondContact O-CB 3.45Å; G537-V540 PolarHBondContact O-N 3.14Å; G537-V540 VanDerWaalsContact O-N 3.13Å; G537-M541 PolarHBondContact O-N 2.94Å; G537-F628 VanDerWaalsContact C-CD2 3.45Å; G537-F628 VanDerWaalsContact C-CG 3.41Å; G537-F628 VanDerWaalsContact O-CB 3.26Å; G537-F628 WeakPolarHBondContact O-CB 3.39Å; G537-F628 WeakPolarHBondContact O-CG 3.27Å
538I88.8Confident85.6Confident70 Ų7043.2 Ų43.236%0.35926%0.257SS..Hα-helixtrans-61.4-37.8173.1-65.9167.3000110.7V534 V535 V540 M541 N542 F628V534-I538 HydrophobicContact CG1-CD1 4.34Å; V534-I538 WeakPolarHBondContact O-CG1 3.17Å; V534-I538 PolarHBondContact O-N 3.31Å; V535-I538 PolarHBondContact O-N 3.29Å; I538-V540 PolarHBondContact O-N 3.14Å; I538-M541 WeakPolarHBondContact O-CB 3.36Å; I538-M541 PolarHBondContact O-N 3.47Å; I538-N542 PolarHBondContact O-N 3.37Å; I538-F628 HydrophobicContact CG1-CD1 4.46Å; I538-F628 HydrophobicContact CG1-CE1 3.65Å; I538-F628 HydrophobicContact CG1-CZ 3.98Å
539G87.2Confident86Confident29 Ų2942.4 Ų42.430%0.29925%0.252SS..Hα-helixtrans-58.1-45.1172.600000112.7V535 G536 G537 M541 N542 I543V535-G539 PolarHBondContact O-N 2.87Å; V535-G539 VanDerWaalsContact O-N 3.13Å; G536-G539 WeakPolarHBondContact O-CA 3.36Å; G536-G539 PolarHBondContact O-N 2.84Å; G536-G539 VanDerWaalsContact O-N 3.15Å; G537-G539 VanDerWaalsContact C-N 3.26Å; G537-G539 PolarHBondContact O-N 2.69Å; G539-M541 VanDerWaalsContact C-N 3.35Å; G539-M541 PolarHBondContact O-N 3.39Å; G539-N542 PolarHBondContact O-N 3.48Å; G539-I543 VanDerWaalsContact O-CG1 3.31Å; G539-I543 WeakPolarHBondContact O-CG1 3.49Å; G539-I543 PolarHBondContact O-N 3.22Å; G539-I543 VanDerWaalsContact O-N 3.11Å
540V88.1Confident86.4Confident2 Ų247.2 Ų47.21%0.01227%0.273CS..Hα-helixtrans-58.3-47.1174.5-177.70000110.8T275 I279 G536 G537 I538 N542 I543 M544 A576T275-V540 HydrophobicContact CG2-CB 4.2Å; T275-V540 HydrophobicContact CG2-CG1 4.38Å; T275-V540 HydrophobicContact CG2-CG2 3.71Å; I279-V540 HydrophobicContact CD1-CG2 3.64Å; I279-V540 HydrophobicContact CG1-CG2 4.14Å; G536-V540 PolarHBondContact O-N 3.22Å; G536-V540 VanDerWaalsContact O-N 3.14Å; G537-V540 WeakPolarHBondContact O-CB 3.45Å; G537-V540 PolarHBondContact O-N 3.14Å; G537-V540 VanDerWaalsContact O-N 3.13Å; I538-V540 PolarHBondContact O-N 3.14Å; V540-N542 PolarHBondContact O-N 3.37Å; V540-I543 PolarHBondContact O-N 3.08Å; V540-M544 HydrophobicContact CG1-CG 4.17Å; V540-M544 WeakPolarHBondContact O-CB 3.42Å; V540-M544 VanDerWaalsContact O-CG 3.25Å; V540-M544 WeakPolarHBondContact O-CG 3.22Å; V540-M544 PolarHBondContact O-N 3.05Å; V540-A576 HydrophobicContact CG1-CB 4.39Å
541M92.9Very high86.8Confident42 Ų4245.3 Ų45.321%0.20726%0.259CS..Hα-helixtrans-58.1-49.2179.9-174.3179.46800112.1G537 I538 G539 I543 M544 L545 F628G537-M541 PolarHBondContact O-N 2.94Å; I538-M541 WeakPolarHBondContact O-CB 3.36Å; I538-M541 PolarHBondContact O-N 3.47Å; G539-M541 VanDerWaalsContact C-N 3.35Å; G539-M541 PolarHBondContact O-N 3.39Å; M541-I543 VanDerWaalsContact C-N 3.33Å; M541-I543 PolarHBondContact O-N 3.4Å; M541-M544 PolarHBondContact O-N 2.98Å; M541-L545 HydrophobicContact CG-CD1 4.23Å; M541-L545 WeakPolarHBondContact O-CG 3.09Å; M541-L545 PolarHBondContact O-N 3.33Å; M541-F628 HydrophobicContact CB-CB 4.02Å; M541-F628 HydrophobicContact CB-CD1 4.04Å; M541-F628 HydrophobicContact CB-CG 4.47Å; M541-F628 HydrophobicContact SD-CD1 4.22Å
542N90.3Very high87.2Confident87 Ų8741.2 Ų41.247%0.46524%0.239SC..Hα-helixtrans-61.8-43.1-179-77.5-15.1000111.7I538 G539 V540 M544 L545 V546I538-N542 PolarHBondContact O-N 3.37Å; G539-N542 PolarHBondContact O-N 3.48Å; V540-N542 PolarHBondContact O-N 3.37Å; N542-M544 VanDerWaalsContact C-N 3.34Å; N542-L545 PolarHBondContact O-N 3.25Å; N542-V546 WeakPolarHBondContact O-CG2 3.24Å; N542-V546 PolarHBondContact O-N 3.14Å
543I86.9Confident87.8Confident46 Ų4643 Ų4324%0.23624%0.237CC..Hα-helixtrans-67.8-38.4180-68.4174.4000111R271 T275 G539 V540 M541 V546 S547R271-I543 HydrophobicContact CG-CG2 3.36Å; T275-I543 HydrophobicContact CG2-CD1 4.18Å; T275-I543 WeakPolarHBondContact OG1-CD1 3.33Å; G539-I543 VanDerWaalsContact O-CG1 3.31Å; G539-I543 WeakPolarHBondContact O-CG1 3.49Å; G539-I543 PolarHBondContact O-N 3.22Å; G539-I543 VanDerWaalsContact O-N 3.11Å; V540-I543 PolarHBondContact O-N 3.08Å; M541-I543 VanDerWaalsContact C-N 3.33Å; M541-I543 PolarHBondContact O-N 3.4Å; I543-V546 PolarHBondContact O-N 2.96Å; I543-S547 WeakPolarHBondContact O-CB 3.27Å; I543-S547 PolarHBondContact O-N 3.25Å
544M89.9Confident88.3Confident10 Ų1044.4 Ų44.45%0.04924%0.243CC..Hα-helixtrans-67.7-37.9174.9-71.1-58.3-65.200112.2V540 M541 N542 V546 S547 V548 F572 E575 A576 P632V540-M544 HydrophobicContact CG1-CG 4.17Å; V540-M544 WeakPolarHBondContact O-CB 3.42Å; V540-M544 VanDerWaalsContact O-CG 3.25Å; V540-M544 WeakPolarHBondContact O-CG 3.22Å; V540-M544 PolarHBondContact O-N 3.05Å; M541-M544 PolarHBondContact O-N 2.98Å; N542-M544 VanDerWaalsContact C-N 3.34Å; M544-V546 PolarHBondContact O-N 2.88Å; M544-S547 WeakPolarHBondContact O-CB 3.3Å; M544-S547 PolarHBondContact O-N 3.05Å; M544-V548 VanDerWaalsContact O-CG2 3.31Å; M544-V548 WeakPolarHBondContact O-CG2 3.2Å; M544-V548 PolarHBondContact O-N 2.98Å; M544-F572 HydrophobicContact CE-CB 4.04Å; M544-F572 HydrophobicContact CE-CD1 3.79Å; M544-F572 HydrophobicContact CE-CG 4.4Å; M544-F572 WeakPolarHBondContact CE-O 3.34Å; M544-E575 HydrophobicContact CE-CB 4.22Å; M544-E575 HydrophobicContact CE-CG 4.29Å; M544-E575 HydrophobicContact SD-CG 4.4Å; M544-A576 HydrophobicContact CE-CB 4.35Å; M544-A576 HydrophobicContact CG-CB 4.27Å; M544-A576 HydrophobicContact SD-CB 4.49Å; M544-P632 HydrophobicContact CB-CB 3.92Å; M544-P632 HydrophobicContact CB-CG 3.61Å
545L91.5Very high88.6Confident55 Ų5541.4 Ų41.429%0.28823%0.225SC..Hα-helixtrans-60-45.5172.7-76.1168.9000111.4M541 N542 S547 V548 T549 L631 P632M541-L545 HydrophobicContact CG-CD1 4.23Å; M541-L545 WeakPolarHBondContact O-CG 3.09Å; M541-L545 PolarHBondContact O-N 3.33Å; N542-L545 PolarHBondContact O-N 3.25Å; L545-S547 VanDerWaalsContact C-N 3.35Å; L545-S547 PolarHBondContact O-N 2.95Å; L545-V548 PolarHBondContact O-N 3.06Å; L545-T549 WeakPolarHBondContact O-CG2 3.29Å; L545-T549 PolarHBondContact O-N 3.42Å; L545-T549 PolarHBondContact O-OG1 3.18Å; L545-L631 HydrophobicContact CD2-CD2 4.1Å; L545-P632 HydrophobicContact CD2-CB 3.83Å; L545-P632 HydrophobicContact CG-CB 4.02Å
546V89.3Confident89.1Confident66 Ų6637 Ų3740%0.420%0.198SC..Hα-helixtrans-61.5-44.2175.1173.90000110.9N542 I543 M544 V548 T549 E550N542-V546 WeakPolarHBondContact O-CG2 3.24Å; N542-V546 PolarHBondContact O-N 3.14Å; I543-V546 PolarHBondContact O-N 2.96Å; M544-V546 PolarHBondContact O-N 2.88Å; V546-V548 VanDerWaalsContact C-N 3.33Å; V546-V548 PolarHBondContact O-N 2.75Å; V546-T549 WeakPolarHBondContact CA-OG1 3.18Å; V546-T549 PolarHBondContact O-N 2.9Å; V546-T549 VanDerWaalsContact O-N 3.15Å; V546-T549 PolarHBondContact O-OG1 2.76Å; V546-E550 HydrophobicContact CG1-CG 4.4Å; V546-E550 WeakPolarHBondContact O-CG 3.25Å; V546-E550 PolarHBondContact O-N 3.37Å
547S86.4Confident89.6Confident4 Ų436.8 Ų36.83%0.02820%0.195CC..Hα-helixtrans-57.9-42.9176.3-168.10000112.4I543 M544 L545 E550 R551I543-S547 WeakPolarHBondContact O-CB 3.27Å; I543-S547 PolarHBondContact O-N 3.25Å; M544-S547 WeakPolarHBondContact O-CB 3.3Å; M544-S547 PolarHBondContact O-N 3.05Å; L545-S547 VanDerWaalsContact C-N 3.35Å; L545-S547 PolarHBondContact O-N 2.95Å; S547-E550 PolarHBondContact O-N 2.93Å; S547-R551 VanDerWaalsContact O-CB 3.32Å; S547-R551 WeakPolarHBondContact O-CB 3.12Å; S547-R551 WeakPolarHBondContact O-CG 3.5Å; S547-R551 PolarHBondContact O-N 3.01Å; S547-R551 PolarHBondContact OG-NH1 3.27Å
548V88.4Confident89.8Confident8 Ų836.9 Ų36.95%0.04819%0.194CC..Hα-helixtrans-65.1-40.5176.3170.30000111.3M544 L545 V546 R551 T552 I555 F572 P632 A636M544-V548 VanDerWaalsContact O-CG2 3.31Å; M544-V548 WeakPolarHBondContact O-CG2 3.2Å; M544-V548 PolarHBondContact O-N 2.98Å; L545-V548 PolarHBondContact O-N 3.06Å; V546-V548 VanDerWaalsContact C-N 3.33Å; V546-V548 PolarHBondContact O-N 2.75Å; V548-R551 CarbonylContact O-C 3.55Å; V548-R551 PolarHBondContact O-N 2.98Å; V548-T552 PolarHBondContact O-N 3.43Å; V548-T552 VanDerWaalsContact O-N 3.12Å; V548-T552 PolarHBondContact O-OG1 2.82Å; V548-I555 HydrophobicContact CG1-CD1 4.11Å; V548-F572 HydrophobicContact CG2-CD1 4.11Å; V548-F572 HydrophobicContact CG2-CD2 4.49Å; V548-F572 HydrophobicContact CG2-CE1 4.02Å; V548-F572 HydrophobicContact CG2-CE2 4.43Å; V548-F572 HydrophobicContact CG2-CG 4.35Å; V548-F572 HydrophobicContact CG2-CZ 4.19Å; V548-P632 HydrophobicContact CG2-CB 4.26Å; V548-A636 HydrophobicContact CB-CB 4.49Å; V548-A636 HydrophobicContact CG1-CB 3.69Å; V548-A636 HydrophobicContact CG2-CB 3.93Å
549T89.3Confident89.9Confident74 Ų7434.1 Ų34.145%0.45418%0.18SC..Hα-helixtrans-66.3-41.217753.60000112.7L545 V546 T552L545-T549 WeakPolarHBondContact O-CG2 3.29Å; L545-T549 PolarHBondContact O-N 3.42Å; L545-T549 PolarHBondContact O-OG1 3.18Å; V546-T549 WeakPolarHBondContact CA-OG1 3.18Å; V546-T549 PolarHBondContact O-N 2.9Å; V546-T549 VanDerWaalsContact O-N 3.15Å; V546-T549 PolarHBondContact O-OG1 2.76Å; T549-T552 PolarHBondContact O-N 3.19Å; T549-T552 PolarHBondContact O-OG1 3.26Å
550E88Confident90.1Very high110 Ų11032.8 Ų32.851%0.51417%0.165SC..Hα-helixtrans-69-35177.7-72174.517700112.2R271 V546 S547R271-E550 IonicContact CZ-OE1 2.74Å; R271-E550 IonicContact CZ-OE2 2.69Å; R271-E550 IonicContact NH1-OE1 2.87Å; R271-E550 IonicContact NH1-OE2 3.8Å; R271-E550 PolarHBondContact NH1-OE2 2.74Å; R271-E550 IonicContact NH2-OE1 2.83Å; R271-E550 PolarHBondContact NH2-OE1 2.99Å; R271-E550 IonicContact NH2-OE2 3.19Å; R271-E550 PolarHBondContact NH2-OE2 3.4Å; V546-E550 HydrophobicContact CG1-CG 4.4Å; V546-E550 WeakPolarHBondContact O-CG 3.25Å; V546-E550 PolarHBondContact O-N 3.37Å; S547-E550 PolarHBondContact O-N 2.93Å
551R88.1Confident90.2Very high22 Ų2233.3 Ų33.38%0.08317%0.168CC..THydrogen-bonded Turntrans-93.516.4-179.6-65.2-179.9175.4155.33113.4A264 N268 S547 V548 R553 E554 I555 E575A264-R551 PolarHBondContact O-NH2 3.31Å; N268-R551 PolarHBondContact ND2-NH2 3.25Å; S547-R551 VanDerWaalsContact O-CB 3.32Å; S547-R551 WeakPolarHBondContact O-CB 3.12Å; S547-R551 WeakPolarHBondContact O-CG 3.5Å; S547-R551 PolarHBondContact O-N 3.01Å; S547-R551 PolarHBondContact OG-NH1 3.27Å; V548-R551 CarbonylContact O-C 3.55Å; V548-R551 PolarHBondContact O-N 2.98Å; R551-R553 VanDerWaalsContact C-N 3.31Å; R551-R553 PolarHBondContact O-N 2.8Å; R551-E554 HydrophobicContact CB-CB 4.21Å; R551-E554 HydrophobicContact CB-CG 4.43Å; R551-E554 IonicContact NE-OE2 2.68Å; R551-E554 WeakPolarHBondContact O-CA 3.24Å; R551-E554 WeakPolarHBondContact O-CB 3.13Å; R551-E554 PolarHBondContact O-N 3.33Å; R551-I555 WeakPolarHBondContact O-CG1 3.2Å; R551-I555 PolarHBondContact O-N 3.38Å; R551-E575 IonicContact NH1-OE1 2.68Å; R551-E575 PolarHBondContact NH1-OE1 3.06Å; R551-E575 IonicContact NH1-OE2 3.7Å; R551-E575 PolarHBondContact NH1-OE2 2.82Å
552T92.1Very high90.1Very high8 Ų831.3 Ų31.35%0.04916%0.159CC..Hα-helixtrans-56.2-45-178.7-67.70000111.6V548 T549 E554 I555 G556 L639 A644 R647V548-T552 PolarHBondContact O-N 3.43Å; V548-T552 VanDerWaalsContact O-N 3.12Å; V548-T552 PolarHBondContact O-OG1 2.82Å; T549-T552 PolarHBondContact O-N 3.19Å; T549-T552 PolarHBondContact O-OG1 3.26Å; T552-E554 PolarHBondContact O-N 3.49Å; T552-I555 WeakPolarHBondContact O-CB 3.31Å; T552-I555 PolarHBondContact O-N 2.81Å; T552-G556 PolarHBondContact O-N 2.78Å; T552-L639 HydrophobicContact CG2-CD1 4.22Å; T552-A644 HydrophobicContact CG2-CB 3.97Å; T552-R647 HydrophobicContact CG2-CB 4.48Å
553R89.9Confident90.1Very high93 Ų9327.2 Ų27.235%0.35114%0.137SC..Hα-helixtrans-62.3-39.1174.5-73.1174.8168.1171-11.6113.3R551 I555 G556 I557 A644 R647 E648R551-R553 VanDerWaalsContact C-N 3.31Å; R551-R553 PolarHBondContact O-N 2.8Å; R553-I555 VanDerWaalsContact C-N 3.3Å; R553-I555 PolarHBondContact O-N 2.84Å; R553-G556 PolarHBondContact O-N 3.07Å; R553-I557 PolarHBondContact O-N 3.47Å; R553-A644 WeakPolarHBondContact CA-O 3.47Å; R553-R647 PolarHBondContact NE-O 2.96Å; R553-R647 PolarHBondContact NH2-O 2.88Å; R553-E648 PolarHBondContact NH1-OXT 3.15Å; R553-E648 PolarHBondContact NH2-OXT 2.63Å
554E90.6Very high90.2Very high36 Ų3628.1 Ų28.117%0.16814%0.138CC..Hα-helixtrans-64.7-35.7176.4-61.6-167.7161.400111.8L98 H100 R551 T552 I557 R558L98-E554 HydrophobicContact CD2-CB 3.7Å; L98-E554 HydrophobicContact CD2-CG 3.7Å; H100-E554 IonicContact CE1-OE1 2.76Å; H100-E554 PolarHBondContact CE1-OE1 2.89Å; H100-E554 VanDerWaalsContact CE1-OE1 3.25Å; H100-E554 IonicContact CE1-OE2 3.97Å; H100-E554 PolarHBondContact CE1-OE2 2.82Å; H100-E554 IonicContact ND1-OE1 3.22Å; H100-E554 PolarHBondContact ND1-OE1 3.31Å; H100-E554 IonicContact ND1-OE2 3.17Å; R551-E554 HydrophobicContact CB-CB 4.21Å; R551-E554 HydrophobicContact CB-CG 4.43Å; R551-E554 IonicContact NE-OE2 2.68Å; R551-E554 WeakPolarHBondContact O-CA 3.24Å; R551-E554 WeakPolarHBondContact O-CB 3.13Å; R551-E554 PolarHBondContact O-N 3.33Å; T552-E554 PolarHBondContact O-N 3.49Å; E554-I557 WeakPolarHBondContact O-CG2 3.35Å; E554-R558 VanDerWaalsContact O-CG 3.3Å; E554-R558 WeakPolarHBondContact O-CG 3.45Å; E554-R558 PolarHBondContact O-N 2.93Å; E554-R558 VanDerWaalsContact O-N 3.15Å
555I91.8Very high90.1Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-68-44.5175-63.5160.6000109.9V548 R551 T552 R553 I557 R558 M559 V568 F572 A636 L639V548-I555 HydrophobicContact CG1-CD1 4.11Å; R551-I555 WeakPolarHBondContact O-CG1 3.2Å; R551-I555 PolarHBondContact O-N 3.38Å; T552-I555 WeakPolarHBondContact O-CB 3.31Å; T552-I555 PolarHBondContact O-N 2.81Å; R553-I555 VanDerWaalsContact C-N 3.3Å; R553-I555 PolarHBondContact O-N 2.84Å; I555-I557 PolarHBondContact O-N 3.22Å; I555-R558 PolarHBondContact O-N 3.29Å; I555-M559 HydrophobicContact CG2-CE 3.79Å; I555-M559 HydrophobicContact CG2-SD 4.21Å; I555-M559 WeakPolarHBondContact O-CG 3.36Å; I555-M559 PolarHBondContact O-N 3.39Å; I555-V568 HydrophobicContact CG1-CG1 4.36Å; I555-V568 HydrophobicContact CG2-CG1 3.89Å; I555-V568 HydrophobicContact CG2-CG2 4.34Å; I555-F572 HydrophobicContact CD1-CE2 3.68Å; I555-F572 HydrophobicContact CD1-CZ 3.77Å; I555-F572 HydrophobicContact CG1-CE2 3.8Å; I555-F572 HydrophobicContact CG1-CZ 3.98Å; I555-A636 HydrophobicContact CD1-CB 3.84Å; I555-L639 HydrophobicContact CB-CD1 4.42Å; I555-L639 HydrophobicContact CD1-CD1 3.86Å; I555-L639 HydrophobicContact CG2-CD1 4.16Å
556G92.1Very high89.9Confident0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-55.4-49.4175.700000112.6T552 R553 R558 M559 A560T552-G556 PolarHBondContact O-N 2.78Å; R553-G556 PolarHBondContact O-N 3.07Å; G556-R558 PolarHBondContact O-N 3.08Å; G556-M559 PolarHBondContact O-N 3.03Å; G556-A560 WeakPolarHBondContact O-CB 3.48Å; G556-A560 PolarHBondContact O-N 2.61Å
557I92.1Very high89.9Confident7 Ų726.8 Ų26.84%0.03614%0.137CC..Hα-helixtrans-64.2-39.7178.1-176.864.7000112.3F92 H96 L98 R553 E554 I555 M559 A560 V561 L645F92-I557 HydrophobicContact CD2-CD1 4.06Å; F92-I557 HydrophobicContact CE2-CD1 3.54Å; H96-I557 HydrophobicContact CB-CD1 4.09Å; H96-I557 HydrophobicContact CB-CG1 4.45Å; H96-I557 WeakPolarHBondContact O-CG1 3.08Å; L98-I557 HydrophobicContact CD2-CG2 3.65Å; L98-I557 HydrophobicContact CG-CG2 4.35Å; R553-I557 PolarHBondContact O-N 3.47Å; E554-I557 WeakPolarHBondContact O-CG2 3.35Å; I555-I557 PolarHBondContact O-N 3.22Å; I557-M559 PolarHBondContact O-N 3.25Å; I557-A560 PolarHBondContact O-N 2.89Å; I557-V561 HydrophobicContact CD1-CG1 4.15Å; I557-V561 HydrophobicContact CG1-CG1 4.45Å; I557-V561 WeakPolarHBondContact O-CG2 3.36Å; I557-V561 PolarHBondContact O-N 3.49Å; I557-L645 HydrophobicContact CB-CD2 4.28Å
558R92.4Very high90.1Very high6 Ų626.7 Ų26.72%0.02314%0.136CC..Hα-helixtrans-61.1-45.1176.9-76.3175179.9154.19111.6Y113 E554 I555 G556 A560 V561 G562 A563 Q571Y113-R558 HydrophobicContact CE2-CB 4.35Å; Y113-R558 HydrophobicContact CE2-CG 4.43Å; Y113-R558 VanDerWaalsContact OH-CD 3.3Å; Y113-R558 WeakPolarHBondContact OH-CD 3.47Å; Y113-R558 WeakPolarHBondContact OH-CG 3.35Å; E554-R558 VanDerWaalsContact O-CG 3.3Å; E554-R558 WeakPolarHBondContact O-CG 3.45Å; E554-R558 PolarHBondContact O-N 2.93Å; E554-R558 VanDerWaalsContact O-N 3.15Å; I555-R558 PolarHBondContact O-N 3.29Å; G556-R558 PolarHBondContact O-N 3.08Å; R558-A560 VanDerWaalsContact C-N 3.33Å; R558-A560 PolarHBondContact O-N 3.45Å; R558-V561 VanDerWaalsContact O-CG2 3.25Å; R558-V561 WeakPolarHBondContact O-CG2 3.19Å; R558-V561 PolarHBondContact O-N 3.29Å; R558-G562 PolarHBondContact O-N 2.91Å; R558-A563 HydrophobicContact CB-CB 4.03Å; R558-A563 WeakPolarHBondContact O-CB 3.42Å; R558-A563 PolarHBondContact O-N 2.62Å; R558-Q571 VanDerWaalsContact CZ-NE2 3.35Å; R558-Q571 VanDerWaalsContact CZ-OE1 3.3Å
559M91.3Very high90.2Very high12 Ų1228.5 Ų28.56%0.05915%0.145CC..Hα-helixtrans-65.9-37.4177.3-68.7-173.2-57.400111.9R84 I555 G556 I557 G562 V568 L639 P641 A644R84-M559 PolarHBondContact NE-O 3.22Å; R84-M559 PolarHBondContact NH2-O 3.49Å; I555-M559 HydrophobicContact CG2-CE 3.79Å; I555-M559 HydrophobicContact CG2-SD 4.21Å; I555-M559 WeakPolarHBondContact O-CG 3.36Å; I555-M559 PolarHBondContact O-N 3.39Å; G556-M559 PolarHBondContact O-N 3.03Å; I557-M559 PolarHBondContact O-N 3.25Å; M559-G562 PolarHBondContact O-N 3.32Å; M559-G562 VanDerWaalsContact O-N 3.08Å; M559-V568 HydrophobicContact CG-CG2 4.24Å; M559-L639 HydrophobicContact CE-CB 4.22Å; M559-L639 VanDerWaalsContact CE-O 3.23Å; M559-L639 WeakPolarHBondContact CE-O 3.38Å; M559-P641 HydrophobicContact CB-CB 3.99Å; M559-P641 HydrophobicContact CE-CB 3.96Å; M559-A644 HydrophobicContact CE-CB 4.49Å
560A91.2Very high90.2Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-63.5-41175.700000112.8L57 R84 F90 F92 G556 I557 R558 G562 L645L57-A560 HydrophobicContact CD2-CB 3.69Å; R84-A560 WeakPolarHBondContact CD-O 3.25Å; F90-A560 WeakPolarHBondContact CD2-O 3.5Å; F90-A560 VanDerWaalsContact CE2-O 3.3Å; F90-A560 WeakPolarHBondContact CE2-O 3.41Å; F92-A560 HydrophobicContact CE2-CB 4.47Å; F92-A560 HydrophobicContact CZ-CB 4.04Å; G556-A560 WeakPolarHBondContact O-CB 3.48Å; G556-A560 PolarHBondContact O-N 2.61Å; I557-A560 PolarHBondContact O-N 2.89Å; R558-A560 VanDerWaalsContact C-N 3.33Å; R558-A560 PolarHBondContact O-N 3.45Å; A560-G562 PolarHBondContact O-N 2.88Å; A560-L645 HydrophobicContact CB-CD1 4.18Å
561V90.7Very high90.2Very high13 Ų1322.2 Ų22.28%0.07911%0.111CC..THydrogen-bonded Turntrans-79.46.2174.2-56.10000113.7V109 P110 Y113 R157 I557 R558V109-V561 HydrophobicContact CG1-CG2 3.75Å; P110-V561 HydrophobicContact CB-CB 4.25Å; P110-V561 HydrophobicContact CG-CB 4Å; P110-V561 HydrophobicContact CG-CG1 4.27Å; Y113-V561 HydrophobicContact CD2-CG2 4.15Å; Y113-V561 HydrophobicContact CE2-CG2 4.02Å; R157-V561 HydrophobicContact CG-CG1 4.48Å; I557-V561 HydrophobicContact CD1-CG1 4.15Å; I557-V561 HydrophobicContact CG1-CG1 4.45Å; I557-V561 WeakPolarHBondContact O-CG2 3.36Å; I557-V561 PolarHBondContact O-N 3.49Å; R558-V561 VanDerWaalsContact O-CG2 3.25Å; R558-V561 WeakPolarHBondContact O-CG2 3.19Å; R558-V561 PolarHBondContact O-N 3.29Å
562G89.4Confident90.4Very high0 Ų021.2 Ų21.20%011%0.107CC..THydrogen-bonded Turntrans98.122.3167.700000116.2R85 R558 M559 A560R85-G562 VanDerWaalsContact CD-O 3.23Å; R85-G562 WeakPolarHBondContact CD-O 3.22Å; R85-G562 WeakPolarHBondContact CG-O 3.41Å; R85-G562 PolarHBondContact NE-O 3.13Å; R558-G562 PolarHBondContact O-N 2.91Å; M559-G562 PolarHBondContact O-N 3.32Å; M559-G562 VanDerWaalsContact O-N 3.08Å; A560-G562 PolarHBondContact O-N 2.88Å
563A89.8Confident90.4Very high2 Ų222.7 Ų22.72%0.01711%0.114CC..  trans-61.2140.4164.400000111Y113 R558 V568Y113-A563 HydrophobicContact CD1-CB 3.89Å; Y113-A563 HydrophobicContact CD2-CB 3.88Å; Y113-A563 HydrophobicContact CE1-CB 3.63Å; Y113-A563 HydrophobicContact CE2-CB 3.59Å; Y113-A563 HydrophobicContact CG-CB 4.03Å; Y113-A563 VanDerWaalsContact CZ-CB 3.47Å; R558-A563 HydrophobicContact CB-CB 4.03Å; R558-A563 WeakPolarHBondContact O-CB 3.42Å; R558-A563 PolarHBondContact O-N 2.62Å; A563-V568 HydrophobicContact CB-CG2 4.5Å
564R89.3Confident90.4Very high65 Ų6519.1 Ų19.125%0.24510%0.102CC..  trans-78.7157.7170.5-60178.7-170.3159.37.6110.3D78 A81 S566 D567 V568D78-R564 WeakPolarHBondContact OD1-CB 3.34Å; A81-R564 HydrophobicContact CB-CG 4.42Å; R564-S566 WeakPolarHBondContact CB-OG 3.49Å; R564-S566 PolarHBondContact O-N 3.05Å; R564-D567 WeakPolarHBondContact CB-OD2 3.42Å; R564-D567 PolarHBondContact N-OD2 3.3Å; R564-D567 WeakPolarHBondContact O-CB 3.26Å; R564-D567 PolarHBondContact O-N 3.24Å; R564-V568 PolarHBondContact O-N 2.96Å
565A88.2Confident90.4Very high37 Ų3717.8 Ų17.831%0.30610%0.096SC..Hα-helixtrans-57.9-34.3171.900000111.3D567 L569 A637A565-D567 VanDerWaalsContact C-N 3.31Å; A565-D567 PolarHBondContact O-N 3.13Å; A565-L569 WeakPolarHBondContact O-CB 3.45Å; A565-L569 PolarHBondContact O-N 3.47Å; A565-L569 VanDerWaalsContact O-N 3.07Å; A565-A637 HydrophobicContact CB-CB 4.29Å; A565-A637 WeakPolarHBondContact O-CB 3.31Å
566S88.2Confident90.3Very high39 Ų3917.8 Ų17.827%0.27310%0.096SC..Hα-helixtrans-62.3-34.6173.659.60000113.5R564 L569 Q570R564-S566 WeakPolarHBondContact CB-OG 3.49Å; R564-S566 PolarHBondContact O-N 3.05Å; S566-L569 PolarHBondContact O-N 2.81Å; S566-Q570 WeakPolarHBondContact O-CB 3.36Å; S566-Q570 WeakPolarHBondContact O-CG 3.46Å; S566-Q570 PolarHBondContact O-N 3.23Å
567D88.8Confident90.3Very high27 Ų2718.9 Ų18.914%0.14410%0.103CC..Hα-helixtrans-72.7-41.5-175.5-55.7-21000110Y113 R564 A565 Q570 Q571Y113-D567 HydrophobicContact CD1-CB 4.21Å; Y113-D567 WeakPolarHBondContact CD1-OD2 3.25Å; Y113-D567 HydrophobicContact CE1-CB 3.98Å; R564-D567 WeakPolarHBondContact CB-OD2 3.42Å; R564-D567 PolarHBondContact N-OD2 3.3Å; R564-D567 WeakPolarHBondContact O-CB 3.26Å; R564-D567 PolarHBondContact O-N 3.24Å; A565-D567 VanDerWaalsContact C-N 3.31Å; A565-D567 PolarHBondContact O-N 3.13Å; D567-Q570 PolarHBondContact O-N 3.37Å; D567-Q571 WeakPolarHBondContact O-CB 3.32Å; D567-Q571 PolarHBondContact O-N 3.32Å
568V89.9Confident90.3Very high1 Ų119.8 Ų19.81%0.00611%0.107CC..Hα-helixtrans-62.2-46.1172.9-178.70000110.4I555 M559 A563 R564 Q571 F572 A636I555-V568 HydrophobicContact CG1-CG1 4.36Å; I555-V568 HydrophobicContact CG2-CG1 3.89Å; I555-V568 HydrophobicContact CG2-CG2 4.34Å; M559-V568 HydrophobicContact CG-CG2 4.24Å; A563-V568 HydrophobicContact CB-CG2 4.5Å; R564-V568 PolarHBondContact O-N 2.96Å; V568-Q571 PolarHBondContact O-N 3.21Å; V568-F572 HydrophobicContact CG1-CD2 3.91Å; V568-F572 HydrophobicContact CG1-CE2 3.8Å; V568-F572 VanDerWaalsContact O-CD2 3.29Å; V568-F572 WeakPolarHBondContact O-CD2 3.35Å; V568-F572 PolarHBondContact O-N 3.36Å; V568-A636 HydrophobicContact CG1-CB 3.86Å
569L91.8Very high90.2Very high47 Ų4719.8 Ų19.825%0.24611%0.108CC..Hα-helixtrans-57.9-50.2176177.472.5000111.5A565 S566 Q571 L573 A633 R634 A637A565-L569 WeakPolarHBondContact O-CB 3.45Å; A565-L569 PolarHBondContact O-N 3.47Å; A565-L569 VanDerWaalsContact O-N 3.07Å; S566-L569 PolarHBondContact O-N 2.81Å; L569-Q571 VanDerWaalsContact C-N 3.35Å; L569-Q571 PolarHBondContact O-N 3.44Å; L569-L573 WeakPolarHBondContact O-CB 3.26Å; L569-L573 PolarHBondContact O-N 2.92Å; L569-A633 VanDerWaalsContact CD1-C 3.5Å; L569-A633 HydrophobicContact CD1-CB 3.66Å; L569-R634 HydrophobicContact CD1-CB 4.28Å; L569-A637 HydrophobicContact CB-CB 4.06Å
570Q89.1Confident90.2Very high49 Ų4919.3 Ų19.323%0.22911%0.106CC..Hα-helixtrans-60.7-43.8-178.5-77.7173.316.800111.5S566 D567 L573 I574S566-Q570 WeakPolarHBondContact O-CB 3.36Å; S566-Q570 WeakPolarHBondContact O-CG 3.46Å; S566-Q570 PolarHBondContact O-N 3.23Å; D567-Q570 PolarHBondContact O-N 3.37Å; Q570-L573 PolarHBondContact O-N 3.4Å; Q570-I574 HydrophobicContact CB-CD1 4.46Å; Q570-I574 VanDerWaalsContact O-CB 3.27Å; Q570-I574 WeakPolarHBondContact O-CB 3.37Å; Q570-I574 WeakPolarHBondContact O-CD1 3.41Å; Q570-I574 WeakPolarHBondContact O-CG1 3.2Å; Q570-I574 PolarHBondContact O-N 3.43Å
571Q88.3Confident90.2Very high3 Ų321.6 Ų21.61%0.01412%0.118CC..Hα-helixtrans-59.3-52.8180179.6176-1.200112.4R558 D567 V568 L569 L573 I574 E575R558-Q571 VanDerWaalsContact CZ-NE2 3.35Å; R558-Q571 VanDerWaalsContact CZ-OE1 3.3Å; D567-Q571 WeakPolarHBondContact O-CB 3.32Å; D567-Q571 PolarHBondContact O-N 3.32Å; V568-Q571 PolarHBondContact O-N 3.21Å; L569-Q571 VanDerWaalsContact C-N 3.35Å; L569-Q571 PolarHBondContact O-N 3.44Å; Q571-L573 VanDerWaalsContact C-N 3.35Å; Q571-I574 PolarHBondContact O-N 2.88Å; Q571-E575 WeakPolarHBondContact O-CB 3.38Å; Q571-E575 PolarHBondContact O-N 3.33Å
572F90.6Very high90.2Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-69.5-33.8-178.9-74.5-68.9000112.3M544 V548 I555 V568 E575 A576 A633 A636M544-F572 HydrophobicContact CE-CB 4.04Å; M544-F572 HydrophobicContact CE-CD1 3.79Å; M544-F572 HydrophobicContact CE-CG 4.4Å; M544-F572 WeakPolarHBondContact CE-O 3.34Å; V548-F572 HydrophobicContact CG2-CD1 4.11Å; V548-F572 HydrophobicContact CG2-CD2 4.49Å; V548-F572 HydrophobicContact CG2-CE1 4.02Å; V548-F572 HydrophobicContact CG2-CE2 4.43Å; V548-F572 HydrophobicContact CG2-CG 4.35Å; V548-F572 HydrophobicContact CG2-CZ 4.19Å; I555-F572 HydrophobicContact CD1-CE2 3.68Å; I555-F572 HydrophobicContact CD1-CZ 3.77Å; I555-F572 HydrophobicContact CG1-CE2 3.8Å; I555-F572 HydrophobicContact CG1-CZ 3.98Å; V568-F572 HydrophobicContact CG1-CD2 3.91Å; V568-F572 HydrophobicContact CG1-CE2 3.8Å; V568-F572 VanDerWaalsContact O-CD2 3.29Å; V568-F572 WeakPolarHBondContact O-CD2 3.35Å; V568-F572 PolarHBondContact O-N 3.36Å; F572-E575 PolarHBondContact O-N 3.14Å; F572-A576 PolarHBondContact O-N 3.26Å; F572-A633 HydrophobicContact CB-CB 3.63Å; F572-A636 HydrophobicContact CD2-CB 3.71Å; F572-A636 HydrophobicContact CE2-CB 3.72Å
573L92.1Very high90.3Very high39 Ų3923.9 Ų23.920%0.20413%0.132CC..Hα-helixtrans-66.9-42.9175.5-172.764.3000111.4L569 Q570 Q571 E575 A576 V577 W630 A633L569-L573 WeakPolarHBondContact O-CB 3.26Å; L569-L573 PolarHBondContact O-N 2.92Å; Q570-L573 PolarHBondContact O-N 3.4Å; Q571-L573 VanDerWaalsContact C-N 3.35Å; L573-E575 VanDerWaalsContact C-N 3.34Å; L573-A576 PolarHBondContact O-N 2.88Å; L573-V577 WeakPolarHBondContact O-CB 3.39Å; L573-V577 VanDerWaalsContact O-CG2 3.3Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 2.7Å; L573-W630 HydrophobicContact CD1-CB 4.41Å; L573-A633 HydrophobicContact CB-CB 4.43Å
574I91.1Very high90.4Very high19 Ų1923.8 Ų23.810%0.09713%0.131CC..Hα-helixtrans-63.7-40.6174.9-70.7164.7000110.3F254 A257 L258 A261 Q570 Q571 V577 L578F254-I574 HydrophobicContact CD2-CD1 3.53Å; F254-I574 HydrophobicContact CD2-CG1 4.25Å; F254-I574 HydrophobicContact CE2-CD1 3.63Å; F254-I574 HydrophobicContact CE2-CG1 3.83Å; F254-I574 HydrophobicContact CG-CD1 4.34Å; A257-I574 HydrophobicContact CB-CD1 3.59Å; L258-I574 HydrophobicContact CD1-CG2 4.13Å; A261-I574 HydrophobicContact CB-CG2 4.2Å; Q570-I574 HydrophobicContact CB-CD1 4.46Å; Q570-I574 VanDerWaalsContact O-CB 3.27Å; Q570-I574 WeakPolarHBondContact O-CB 3.37Å; Q570-I574 WeakPolarHBondContact O-CD1 3.41Å; Q570-I574 WeakPolarHBondContact O-CG1 3.2Å; Q570-I574 PolarHBondContact O-N 3.43Å; Q571-I574 PolarHBondContact O-N 2.88Å; I574-V577 PolarHBondContact O-N 2.72Å; I574-L578 WeakPolarHBondContact O-CB 3.44Å; I574-L578 PolarHBondContact O-N 2.62Å
575E89.4Confident90.6Very high7 Ų723 Ų233%0.03314%0.138CC..Hα-helixtrans-58-48.9174.2-172.8175.5-172.100111.3A261 L265 M544 R551 Q571 F572 L573 L578 V579A261-E575 HydrophobicContact CB-CB 4.01Å; L265-E575 HydrophobicContact CD2-CG 3.78Å; L265-E575 HydrophobicContact CG-CG 4.18Å; M544-E575 HydrophobicContact CE-CB 4.22Å; M544-E575 HydrophobicContact CE-CG 4.29Å; M544-E575 HydrophobicContact SD-CG 4.4Å; R551-E575 IonicContact NH1-OE1 2.68Å; R551-E575 PolarHBondContact NH1-OE1 3.06Å; R551-E575 IonicContact NH1-OE2 3.7Å; R551-E575 PolarHBondContact NH1-OE2 2.82Å; Q571-E575 WeakPolarHBondContact O-CB 3.38Å; Q571-E575 PolarHBondContact O-N 3.33Å; F572-E575 PolarHBondContact O-N 3.14Å; L573-E575 VanDerWaalsContact C-N 3.34Å; E575-L578 PolarHBondContact O-N 3.27Å; E575-V579 VanDerWaalsContact O-CG2 3.29Å; E575-V579 WeakPolarHBondContact O-CG2 3.42Å; E575-V579 PolarHBondContact O-N 3.12Å; E575-V579 VanDerWaalsContact O-N 3.1Å
576A91.3Very high90.9Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-63.7-46.2178.400000112.7V540 M544 F572 L573 V579 C580V540-A576 HydrophobicContact CG1-CB 4.39Å; M544-A576 HydrophobicContact CE-CB 4.35Å; M544-A576 HydrophobicContact CG-CB 4.27Å; M544-A576 HydrophobicContact SD-CB 4.49Å; F572-A576 PolarHBondContact O-N 3.26Å; L573-A576 PolarHBondContact O-N 2.88Å; A576-V579 PolarHBondContact O-N 3.5Å; A576-C580 PolarHBondContact O-N 3.03Å; A576-C580 VanDerWaalsContact O-N 3.1Å; A576-C580 PolarHBondContact O-SG 2.91Å
577V92.2Very high91.1Very high24 Ų2423.1 Ų23.115%0.14513%0.13CC..Hα-helixtrans-65.9-41.6179.1172.90000110.8L573 I574 V579 C580 L581 T622 I626L573-V577 WeakPolarHBondContact O-CB 3.39Å; L573-V577 VanDerWaalsContact O-CG2 3.3Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 2.7Å; I574-V577 PolarHBondContact O-N 2.72Å; V577-V579 VanDerWaalsContact C-N 3.34Å; V577-V579 PolarHBondContact O-N 3.08Å; V577-C580 PolarHBondContact O-N 3.2Å; V577-C580 VanDerWaalsContact O-N 3.11Å; V577-L581 HydrophobicContact CG1-CD1 3.83Å; V577-L581 HydrophobicContact CG1-CG 3.99Å; V577-L581 WeakPolarHBondContact O-CB 3.1Å; V577-L581 VanDerWaalsContact O-CG 3.3Å; V577-L581 WeakPolarHBondContact O-CG 3.42Å; V577-L581 PolarHBondContact O-N 3.06Å; V577-T622 HydrophobicContact CG1-CG2 4.38Å; V577-I626 HydrophobicContact CG2-CG1 3.66Å
578L91.2Very high91.3Very high26 Ų2623 Ų2314%0.13613%0.129CC..Hα-helixtrans-59.7-44.6177.6-178.463.1000111.3L258 A261 L265 I574 E575 C580 L581 V582L258-L578 HydrophobicContact CD1-CD1 4.1Å; L258-L578 HydrophobicContact CD1-CD2 3.97Å; A261-L578 HydrophobicContact CB-CD2 4.39Å; L265-L578 HydrophobicContact CD1-CD2 3.78Å; L265-L578 HydrophobicContact CD1-CG 4.18Å; I574-L578 WeakPolarHBondContact O-CB 3.44Å; I574-L578 PolarHBondContact O-N 2.62Å; E575-L578 PolarHBondContact O-N 3.27Å; L578-C580 VanDerWaalsContact C-N 3.31Å; L578-C580 PolarHBondContact O-N 3.13Å; L578-L581 PolarHBondContact O-N 3.29Å; L578-V582 HydrophobicContact CD1-CG2 4.09Å; L578-V582 HydrophobicContact CG-CG2 4.48Å; L578-V582 WeakPolarHBondContact O-CB 3.37Å; L578-V582 VanDerWaalsContact O-CG2 3.3Å; L578-V582 WeakPolarHBondContact O-CG2 3.16Å; L578-V582 PolarHBondContact O-N 2.86Å
579V90.1Very high91.5Very high6 Ų626.4 Ų26.44%0.03615%0.15CC..Hα-helixtrans-59.5-42.4174.7170.70000111.2L265 T272 T275 M276 I279 E575 A576 V577 G583L265-V579 HydrophobicContact CD1-CG2 3.76Å; L265-V579 HydrophobicContact CD2-CG2 3.39Å; L265-V579 HydrophobicContact CG-CG2 4.22Å; T272-V579 HydrophobicContact CG2-CG2 4.43Å; T275-V579 HydrophobicContact CG2-CG1 3.7Å; M276-V579 HydrophobicContact CG-CG1 3.77Å; I279-V579 HydrophobicContact CD1-CG1 4.26Å; E575-V579 VanDerWaalsContact O-CG2 3.29Å; E575-V579 WeakPolarHBondContact O-CG2 3.42Å; E575-V579 PolarHBondContact O-N 3.12Å; E575-V579 VanDerWaalsContact O-N 3.1Å; A576-V579 PolarHBondContact O-N 3.5Å; V577-V579 VanDerWaalsContact C-N 3.34Å; V577-V579 PolarHBondContact O-N 3.08Å; V579-G583 PolarHBondContact O-N 3.08Å
580C91.4Very high91.6Very high1 Ų127.4 Ų27.41%0.00716%0.155CC..Hα-helixtrans-71.2-36.6179.5-60.60000113.5I279 A576 V577 L578 G584 S621 G625I279-C580 HydrophobicContact CD1-CB 3.98Å; I279-C580 WeakPolarHBondContact CD1-SG 3.31Å; A576-C580 PolarHBondContact O-N 3.03Å; A576-C580 VanDerWaalsContact O-N 3.1Å; A576-C580 PolarHBondContact O-SG 2.91Å; V577-C580 PolarHBondContact O-N 3.2Å; V577-C580 VanDerWaalsContact O-N 3.11Å; L578-C580 VanDerWaalsContact C-N 3.31Å; L578-C580 PolarHBondContact O-N 3.13Å; C580-G584 PolarHBondContact O-N 2.93Å; C580-S621 VanDerWaalsContact CB-O 3.23Å; C580-S621 WeakPolarHBondContact CB-O 3.5Å; C580-G625 WeakPolarHBondContact SG-CA 3.5Å
581L91.3Very high91.8Very high48 Ų4825.1 Ų25.125%0.25115%0.145SC..Hα-helixtrans-69-47.1176.7-72.9-177.2000111.6V577 L578 G584 A585 F618 T622V577-L581 HydrophobicContact CG1-CD1 3.83Å; V577-L581 HydrophobicContact CG1-CG 3.99Å; V577-L581 WeakPolarHBondContact O-CB 3.1Å; V577-L581 VanDerWaalsContact O-CG 3.3Å; V577-L581 WeakPolarHBondContact O-CG 3.42Å; V577-L581 PolarHBondContact O-N 3.06Å; L578-L581 PolarHBondContact O-N 3.29Å; L581-G584 PolarHBondContact O-N 3.04Å; L581-A585 WeakPolarHBondContact O-CB 3.19Å; L581-A585 PolarHBondContact O-N 3.05Å; L581-F618 HydrophobicContact CD2-CD2 4.27Å; L581-F618 HydrophobicContact CD2-CE1 3.88Å; L581-F618 HydrophobicContact CD2-CE2 3.61Å; L581-F618 HydrophobicContact CD2-CZ 3.39Å; L581-F618 HydrophobicContact CG-CZ 4.49Å; L581-T622 WeakPolarHBondContact CD2-OG1 3.5Å
582V91.6Very high91.9Very high62 Ų6228 Ų2838%0.37616%0.16SC..Hα-helixtrans-65.4-45.1176.5175.30000110.3M276 L578 G584 A585 L586M276-V582 HydrophobicContact SD-CB 4.25Å; M276-V582 HydrophobicContact SD-CG1 3.77Å; L578-V582 HydrophobicContact CD1-CG2 4.09Å; L578-V582 HydrophobicContact CG-CG2 4.48Å; L578-V582 WeakPolarHBondContact O-CB 3.37Å; L578-V582 VanDerWaalsContact O-CG2 3.3Å; L578-V582 WeakPolarHBondContact O-CG2 3.16Å; L578-V582 PolarHBondContact O-N 2.86Å; V582-G584 VanDerWaalsContact C-N 3.28Å; V582-G584 PolarHBondContact O-N 2.87Å; V582-A585 PolarHBondContact O-N 2.87Å; V582-L586 HydrophobicContact CG1-CD1 4.11Å; V582-L586 WeakPolarHBondContact O-CB 3.21Å; V582-L586 WeakPolarHBondContact O-CG 3.34Å; V582-L586 PolarHBondContact O-N 3.29Å
583G91.3Very high92.1Very high0 Ų032.9 Ų32.90%019%0.186CC..Hα-helixtrans-59.2-38.2173.900000112.6I280 V579 G587I280-G583 WeakPolarHBondContact CG1-O 3.44Å; V579-G583 PolarHBondContact O-N 3.08Å; G583-G587 PolarHBondContact O-N 3.41Å
584G91.7Very high92.1Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-72.5-39.2176.300000114.6C580 L581 V582 G587 I588C580-G584 PolarHBondContact O-N 2.93Å; L581-G584 PolarHBondContact O-N 3.04Å; V582-G584 VanDerWaalsContact C-N 3.28Å; V582-G584 PolarHBondContact O-N 2.87Å; G584-G587 PolarHBondContact O-N 3.07Å; G584-I588 WeakPolarHBondContact O-CG1 3.45Å; G584-I588 PolarHBondContact O-N 3.31Å
585A92.7Very high91.9Very high47 Ų4733.3 Ų33.339%0.38819%0.188SC..Hα-helixtrans-59.9-48.3171.800000110.6L581 V582 G587 I588 T589L581-A585 WeakPolarHBondContact O-CB 3.19Å; L581-A585 PolarHBondContact O-N 3.05Å; V582-A585 PolarHBondContact O-N 2.87Å; A585-G587 VanDerWaalsContact C-N 3.34Å; A585-G587 PolarHBondContact O-N 3.34Å; A585-I588 PolarHBondContact O-N 2.85Å; A585-T589 PolarHBondContact O-N 3Å; A585-T589 PolarHBondContact O-OG1 3.19Å
586L94.4Very high91.8Very high80 Ų8038.8 Ų38.842%0.41921%0.212SC..Hα-helixtrans-63.7-37176.2-69.3176.6000112.5I280 V582 T589 L590I280-L586 HydrophobicContact CD1-CB 3.8Å; I280-L586 HydrophobicContact CD1-CD1 3.88Å; I280-L586 HydrophobicContact CG1-CB 3.76Å; V582-L586 HydrophobicContact CG1-CD1 4.11Å; V582-L586 WeakPolarHBondContact O-CB 3.21Å; V582-L586 WeakPolarHBondContact O-CG 3.34Å; V582-L586 PolarHBondContact O-N 3.29Å; L586-T589 PolarHBondContact O-N 3.3Å; L586-L590 WeakPolarHBondContact O-CB 3.33Å; L586-L590 PolarHBondContact O-N 2.78Å
587G93.2Very high91.7Very high0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-64.1-42.3174.100000113.2A284 G583 G584 A585 L590 S591A284-G587 WeakPolarHBondContact CA-O 3.26Å; A284-G587 WeakPolarHBondContact CB-O 3.25Å; G583-G587 PolarHBondContact O-N 3.41Å; G584-G587 PolarHBondContact O-N 3.07Å; A585-G587 VanDerWaalsContact C-N 3.34Å; A585-G587 PolarHBondContact O-N 3.34Å; G587-L590 PolarHBondContact O-N 2.95Å; G587-S591 PolarHBondContact O-N 3.35Å
588I92.6Very high91.5Very high23 Ų2343.2 Ų43.212%0.11824%0.237CC..Hα-helixtrans-64-47.6173.6-68.4167.4000109.8I283 G584 A585 L590 S591 L592 L614I283-I588 HydrophobicContact CG2-CG1 3.93Å; G584-I588 WeakPolarHBondContact O-CG1 3.45Å; G584-I588 PolarHBondContact O-N 3.31Å; A585-I588 PolarHBondContact O-N 2.85Å; I588-L590 VanDerWaalsContact C-N 3.3Å; I588-L590 PolarHBondContact O-N 2.89Å; I588-S591 WeakPolarHBondContact O-CB 3.27Å; I588-S591 PolarHBondContact O-N 2.75Å; I588-S591 VanDerWaalsContact O-N 3.09Å; I588-L592 HydrophobicContact CG2-CD1 4.34Å; I588-L592 HydrophobicContact CG2-CG 4.38Å; I588-L592 WeakPolarHBondContact O-CG 3.34Å; I588-L592 PolarHBondContact O-N 3.05Å; I588-L614 HydrophobicContact CG2-CD2 3.83Å; I588-L614 HydrophobicContact CG2-CG 4.2Å
589T94.1Very high91.2Very high74 Ų7445.9 Ų45.945%0.45425%0.249SC..Hα-helixtrans-56.5-44.7176.1-56.10000111.5A585 L586 S591 L592 L593A585-T589 PolarHBondContact O-N 3Å; A585-T589 PolarHBondContact O-OG1 3.19Å; L586-T589 PolarHBondContact O-N 3.3Å; T589-S591 VanDerWaalsContact C-N 3.35Å; T589-S591 PolarHBondContact O-N 2.96Å; T589-L592 PolarHBondContact O-N 2.78Å; T589-L593 WeakPolarHBondContact O-CG 3.48Å; T589-L593 PolarHBondContact O-N 3.48Å
590L94.7Very high91Very high68 Ų6851.2 Ų51.236%0.35628%0.276SS..Hα-helixtrans-62.4-41.1176.2-178.461.3000111.8I280 A284 L586 G587 I588 L593 I594I280-L590 HydrophobicContact CG2-CD2 3.74Å; A284-L590 HydrophobicContact CB-CB 4.21Å; A284-L590 HydrophobicContact CB-CD2 3.9Å; A284-L590 HydrophobicContact CB-CG 4.11Å; L586-L590 WeakPolarHBondContact O-CB 3.33Å; L586-L590 PolarHBondContact O-N 2.78Å; G587-L590 PolarHBondContact O-N 2.95Å; I588-L590 VanDerWaalsContact C-N 3.3Å; I588-L590 PolarHBondContact O-N 2.89Å; L590-L593 WeakPolarHBondContact O-CB 3.31Å; L590-L593 PolarHBondContact O-N 3.28Å; L590-I594 HydrophobicContact CG-CD1 4.14Å; L590-I594 VanDerWaalsContact O-CG1 3.3Å; L590-I594 WeakPolarHBondContact O-CG1 3.3Å; L590-I594 PolarHBondContact O-N 3.11Å
591S92.4Very high90.8Very high0 Ų058.7 Ų58.70%031%0.309CS..Hα-helixtrans-64.4-40.1175.6-1740000112.9V287 S288 G587 I588 T589 L593 I594 A595V287-S591 WeakPolarHBondContact CB-OG 2.97Å; V287-S591 VanDerWaalsContact CG1-OG 3.28Å; V287-S591 WeakPolarHBondContact CG1-OG 3.3Å; S288-S591 PolarHBondContact N-OG 3.42Å; S288-S591 PolarHBondContact OG-OG 3.41Å; G587-S591 PolarHBondContact O-N 3.35Å; I588-S591 WeakPolarHBondContact O-CB 3.27Å; I588-S591 PolarHBondContact O-N 2.75Å; I588-S591 VanDerWaalsContact O-N 3.09Å; T589-S591 VanDerWaalsContact C-N 3.35Å; T589-S591 PolarHBondContact O-N 2.96Å; S591-L593 VanDerWaalsContact C-N 3.31Å; S591-L593 PolarHBondContact O-N 3.3Å; S591-I594 PolarHBondContact O-N 2.71Å; S591-A595 WeakPolarHBondContact O-CB 3.5Å; S591-A595 PolarHBondContact O-N 3.47Å
592L91.1Very high90.3Very high65 Ų6559.6 Ų59.634%0.3431%0.314SS..Hα-helixtrans-61.3-41.3174-66.2178.6000111.1I588 T589 A595 F596 F609I588-L592 HydrophobicContact CG2-CD1 4.34Å; I588-L592 HydrophobicContact CG2-CG 4.38Å; I588-L592 WeakPolarHBondContact O-CG 3.34Å; I588-L592 PolarHBondContact O-N 3.05Å; T589-L592 PolarHBondContact O-N 2.78Å; L592-A595 PolarHBondContact O-N 2.87Å; L592-F596 PolarHBondContact O-N 3.31Å; L592-F609 HydrophobicContact CD2-CD1 3.58Å; L592-F609 HydrophobicContact CD2-CD2 4.41Å; L592-F609 HydrophobicContact CD2-CE1 3.29Å; L592-F609 HydrophobicContact CD2-CE2 4.16Å; L592-F609 HydrophobicContact CD2-CG 4.14Å; L592-F609 HydrophobicContact CD2-CZ 3.59Å
593L93.4Very high89.3Confident102 Ų10262.6 Ų62.653%0.53434%0.335SS..Hα-helixtrans-64.4-42.3175.2-68.6175.1000112T589 L590 S591 F596 T597T589-L593 WeakPolarHBondContact O-CG 3.48Å; T589-L593 PolarHBondContact O-N 3.48Å; L590-L593 WeakPolarHBondContact O-CB 3.31Å; L590-L593 PolarHBondContact O-N 3.28Å; S591-L593 VanDerWaalsContact C-N 3.31Å; S591-L593 PolarHBondContact O-N 3.3Å; L593-F596 PolarHBondContact O-N 2.87Å; L593-T597 WeakPolarHBondContact O-CB 3.37Å; L593-T597 PolarHBondContact O-N 2.85Å; L593-T597 PolarHBondContact O-OG1 2.92Å
594I91.9Very high88.4Confident62 Ų6266 Ų6632%0.31837%0.369SS..Hα-helixtrans-61.2-45.9174.9-69165.7000110.2L590 S591 T597 L598L590-I594 HydrophobicContact CG-CD1 4.14Å; L590-I594 VanDerWaalsContact O-CG1 3.3Å; L590-I594 WeakPolarHBondContact O-CG1 3.3Å; L590-I594 PolarHBondContact O-N 3.11Å; S591-I594 PolarHBondContact O-N 2.71Å; I594-T597 WeakPolarHBondContact O-CB 3.47Å; I594-T597 PolarHBondContact O-N 3.27Å; I594-L598 HydrophobicContact CG2-CD1 4.02Å; I594-L598 HydrophobicContact CG2-CG 4.36Å; I594-L598 WeakPolarHBondContact O-CG 3.42Å; I594-L598 PolarHBondContact O-N 3.24Å
595A87.8Confident87.5Confident4 Ų469.5 Ų69.53%0.03338%0.383CS..Hα-helixtrans-62.2-46.6178.800000112.3S591 L592 T597 L598 Q599 I607 F609S591-A595 WeakPolarHBondContact O-CB 3.5Å; S591-A595 PolarHBondContact O-N 3.47Å; L592-A595 PolarHBondContact O-N 2.87Å; A595-T597 VanDerWaalsContact C-N 3.27Å; A595-T597 PolarHBondContact O-N 2.65Å; A595-L598 PolarHBondContact O-N 3.22Å; A595-L598 VanDerWaalsContact O-N 3.14Å; A595-Q599 PolarHBondContact O-N 2.84Å; A595-I607 HydrophobicContact CB-CD1 4.2Å; A595-I607 HydrophobicContact CB-CG2 4Å; A595-I607 VanDerWaalsContact O-CD1 3.27Å; A595-I607 WeakPolarHBondContact O-CD1 3.49Å; A595-F609 HydrophobicContact CB-CE1 3.56Å; A595-F609 HydrophobicContact CB-CZ 3.44Å; A595-F609 VanDerWaalsContact CB-CZ 3.44Å
596F87.4Confident86.7Confident122 Ų12276 Ų7654%0.53541%0.405SS..Hα-helixtrans-60.2-40.3174.5-173.8-98.8000111.5L592 L593 L598 Q599 L600L592-F596 PolarHBondContact O-N 3.31Å; L593-F596 PolarHBondContact O-N 2.87Å; F596-L598 VanDerWaalsContact C-N 3.35Å; F596-L598 PolarHBondContact O-N 2.92Å; F596-Q599 PolarHBondContact O-N 3.34Å; F596-L600 HydrophobicContact CD1-CD1 4.19Å; F596-L600 HydrophobicContact CE1-CD1 3.92Å; F596-L600 HydrophobicContact CE1-CG 4.36Å; F596-L600 WeakPolarHBondContact O-CG 3.37Å; F596-L600 PolarHBondContact O-N 2.89Å
597T89.8Confident86Confident64 Ų6473 Ų7339%0.39339%0.389SS..Hα-helixtrans-62-42175.2-550000111.4L593 I594 A595 L600 F601L593-T597 WeakPolarHBondContact O-CB 3.37Å; L593-T597 PolarHBondContact O-N 2.85Å; L593-T597 PolarHBondContact O-OG1 2.92Å; I594-T597 WeakPolarHBondContact O-CB 3.47Å; I594-T597 PolarHBondContact O-N 3.27Å; A595-T597 VanDerWaalsContact C-N 3.27Å; A595-T597 PolarHBondContact O-N 2.65Å; T597-L600 WeakPolarHBondContact O-CB 3.44Å; T597-L600 PolarHBondContact O-N 3.1Å; T597-F601 HydrophobicContact CG2-CD2 3.94Å; T597-F601 HydrophobicContact CG2-CE2 3.67Å; T597-F601 WeakPolarHBondContact O-CD2 3Å; T597-F601 PolarHBondContact O-N 3.42Å
598L87.8Confident85.2Confident53 Ų5375 Ų7528%0.27741%0.41SS..Hα-helixtrans-65.7-38.3177.6-72.5173000112.6V292 I594 A595 F596 L600 F601 L602 I607V292-L598 HydrophobicContact CG2-CD1 3.65Å; I594-L598 HydrophobicContact CG2-CD1 4.02Å; I594-L598 HydrophobicContact CG2-CG 4.36Å; I594-L598 WeakPolarHBondContact O-CG 3.42Å; I594-L598 PolarHBondContact O-N 3.24Å; A595-L598 PolarHBondContact O-N 3.22Å; A595-L598 VanDerWaalsContact O-N 3.14Å; F596-L598 VanDerWaalsContact C-N 3.35Å; F596-L598 PolarHBondContact O-N 2.92Å; L598-L600 PolarHBondContact O-N 3.38Å; L598-F601 PolarHBondContact O-N 2.87Å; L598-F601 VanDerWaalsContact O-N 3.14Å; L598-L602 HydrophobicContact CD2-CD1 4.46Å; L598-L602 PolarHBondContact O-N 3.43Å; L598-I607 HydrophobicContact CB-CD1 3.86Å
599Q83.9Confident84.6Confident82 Ų8277.9 Ų77.938%0.38342%0.422SS..Hα-helixtrans-59.7-33.6174-74.8179.9-20.200112.3A595 F596 I607A595-Q599 PolarHBondContact O-N 2.84Å; F596-Q599 PolarHBondContact O-N 3.34Å; Q599-I607 HydrophobicContact CG-CB 3.98Å; Q599-I607 HydrophobicContact CG-CD1 3.72Å; Q599-I607 HydrophobicContact CG-CG1 3.91Å
600L86.5Confident84Confident119 Ų11976.8 Ų76.862%0.62342%0.417SS*.Hα-helixtrans-70.2-31.3177-64.6173.6000112.9F596 T597 L598F596-L600 HydrophobicContact CD1-CD1 4.19Å; F596-L600 HydrophobicContact CE1-CD1 3.92Å; F596-L600 HydrophobicContact CE1-CG 4.36Å; F596-L600 WeakPolarHBondContact O-CG 3.37Å; F596-L600 PolarHBondContact O-N 2.89Å; T597-L600 WeakPolarHBondContact O-CB 3.44Å; T597-L600 PolarHBondContact O-N 3.1Å; L598-L600 PolarHBondContact O-N 3.38Å
601F87.3Confident83.6Confident157 Ų15778.6 Ų78.669%0.68943%0.433SS*.Hα-helixtrans-95-22.2-176.8-72.5-66.8000114.4T597 L598 P603T597-F601 HydrophobicContact CG2-CD2 3.94Å; T597-F601 HydrophobicContact CG2-CE2 3.67Å; T597-F601 WeakPolarHBondContact O-CD2 3Å; T597-F601 PolarHBondContact O-N 3.42Å; L598-F601 PolarHBondContact O-N 2.87Å; L598-F601 VanDerWaalsContact O-N 3.14Å; F601-P603 WeakPolarHBondContact O-CD 3.38Å
602L81Confident83.2Confident68 Ų6883.8 Ų83.836%0.35646%0.46SS..  trans-121.279.3-174.1-64.9174.5000111.6L598 G604 W605L598-L602 HydrophobicContact CD2-CD1 4.46Å; L598-L602 PolarHBondContact O-N 3.43Å; L602-G604 PolarHBondContact O-N 2.51Å; L602-W605 HydrophobicContact CB-CB 4.29Å; L602-W605 HydrophobicContact CB-CG 4.06Å; L602-W605 HydrophobicContact CD1-CD2 4.17Å; L602-W605 HydrophobicContact CD1-CE3 4.45Å; L602-W605 HydrophobicContact CD1-CG 4.47Å; L602-W605 PolarHBondContact O-N 2.68Å
603P71.3Confident82.7Confident125 Ų12581.5 Ų81.581%0.81245%0.451SS*.THydrogen-bonded Turntrans-61.6121.9174.725.6-32.8000110.2F601F601-P603 WeakPolarHBondContact O-CD 3.38Å
604G72.2Confident82.5Confident70 Ų7078.7 Ų78.772%0.72244%0.436SS*.THydrogen-bonded Turntrans114.6-14.9-17800000114.4L602 E606L602-G604 PolarHBondContact O-N 2.51Å; G604-E606 PolarHBondContact O-N 3.32Å
605W71.5Confident82.3Confident75 Ų7581.2 Ų81.228%0.28445%0.45SS..  trans-89.699.2176.4-72.947.9000110V292 A295 A296 M299 L602 I607V292-W605 HydrophobicContact CG1-CZ3 3.84Å; A295-W605 HydrophobicContact CB-CE3 4.22Å; A296-W605 HydrophobicContact CB-CH2 4.01Å; A296-W605 HydrophobicContact CB-CZ3 4.04Å; M299-W605 HydrophobicContact CE-CZ2 4.12Å; L602-W605 HydrophobicContact CB-CB 4.29Å; L602-W605 HydrophobicContact CB-CG 4.06Å; L602-W605 HydrophobicContact CD1-CD2 4.17Å; L602-W605 HydrophobicContact CD1-CE3 4.45Å; L602-W605 HydrophobicContact CD1-CG 4.47Å; L602-W605 PolarHBondContact O-N 2.68Å; W605-I607 PolarHBondContact O-N 3.38Å
606E77.4Confident82.2Confident182 Ų18285.6 Ų85.685%0.8547%0.472SS*.  trans-73.496.9170.5-70.8-166168.100110G604 G608G604-E606 PolarHBondContact O-N 3.32Å; E606-G608 PolarHBondContact O-N 3.41Å
607I78.2Confident82.1Confident17 Ų1780.2 Ų80.29%0.08745%0.45CS..  trans-75.5105.7175.2-64.2-176.5000109.8V291 A595 L598 Q599 W605 F609V291-I607 HydrophobicContact CG1-CB 4.39Å; V291-I607 HydrophobicContact CG1-CG2 3.2Å; A595-I607 HydrophobicContact CB-CD1 4.2Å; A595-I607 HydrophobicContact CB-CG2 4Å; A595-I607 VanDerWaalsContact O-CD1 3.27Å; A595-I607 WeakPolarHBondContact O-CD1 3.49Å; L598-I607 HydrophobicContact CB-CD1 3.86Å; Q599-I607 HydrophobicContact CG-CB 3.98Å; Q599-I607 HydrophobicContact CG-CD1 3.72Å; Q599-I607 HydrophobicContact CG-CG1 3.91Å; W605-I607 PolarHBondContact O-N 3.38Å; I607-F609 HydrophobicContact CG2-CE1 4.22Å; I607-F609 HydrophobicContact CG2-CE2 4.34Å; I607-F609 HydrophobicContact CG2-CZ 4.05Å
608G77.7Confident82Confident44 Ų4481.7 Ų81.745%0.45445%0.451SS..  trans-93.3125.2170.600000112E606E606-G608 PolarHBondContact O-N 3.41Å
609F79Confident82.1Confident82 Ų8283.9 Ų83.936%0.3646%0.463SS..  trans-85.9116.8172.1-63.2-73.6000110.3V291 L592 A595 I607 P611V291-F609 HydrophobicContact CG1-CD1 4.48Å; V291-F609 HydrophobicContact CG1-CE1 4.43Å; V291-F609 HydrophobicContact CG2-CD1 4.12Å; L592-F609 HydrophobicContact CD2-CD1 3.58Å; L592-F609 HydrophobicContact CD2-CD2 4.41Å; L592-F609 HydrophobicContact CD2-CE1 3.29Å; L592-F609 HydrophobicContact CD2-CE2 4.16Å; L592-F609 HydrophobicContact CD2-CG 4.14Å; L592-F609 HydrophobicContact CD2-CZ 3.59Å; A595-F609 HydrophobicContact CB-CE1 3.56Å; A595-F609 HydrophobicContact CB-CZ 3.44Å; A595-F609 VanDerWaalsContact CB-CZ 3.44Å; I607-F609 HydrophobicContact CG2-CE1 4.22Å; I607-F609 HydrophobicContact CG2-CE2 4.34Å; I607-F609 HydrophobicContact CG2-CZ 4.05Å; F609-P611 VanDerWaalsContact O-CD 3.24Å; F609-P611 WeakPolarHBondContact O-CD 3.46Å
610S81.4Confident82.2Confident51 Ų5182.2 Ų82.236%0.35746%0.46SS..  trans-78.5112.3171.5175.10000109.9L612 A613 L614S610-L612 PolarHBondContact O-N 3.29Å; S610-A613 WeakPolarHBondContact O-CB 3.26Å; S610-A613 PolarHBondContact O-N 2.98Å; S610-A613 PolarHBondContact OG-N 2.81Å; S610-L614 VanDerWaalsContact O-CD1 3.25Å; S610-L614 WeakPolarHBondContact O-CD1 3.33Å; S610-L614 PolarHBondContact O-N 2.86Å
611P86.6Confident82.2Confident107 Ų10776.6 Ų76.670%0.69543%0.43SS*.Hα-helixtrans-60.4-28.8177.724.7-34000111.8F609 L614 L615F609-P611 VanDerWaalsContact O-CD 3.24Å; F609-P611 WeakPolarHBondContact O-CD 3.46Å; P611-L614 PolarHBondContact O-N 2.85Å; P611-L615 WeakPolarHBondContact O-CB 3.48Å; P611-L615 PolarHBondContact O-N 2.84Å
612L84.5Confident82.2Confident108 Ų10870.5 Ų70.557%0.56541%0.406SS*.Hα-helixtrans-64.8-39.9173.8-17765000111.7S610 L615 L616S610-L612 PolarHBondContact O-N 3.29Å; L612-L615 PolarHBondContact O-N 3.19Å; L612-L616 HydrophobicContact CD1-CD1 4.4Å; L612-L616 HydrophobicContact CD1-CG 4.38Å; L612-L616 HydrophobicContact CG-CD1 4.07Å; L612-L616 HydrophobicContact CG-CG 4.45Å; L612-L616 WeakPolarHBondContact O-CB 3.45Å; L612-L616 VanDerWaalsContact O-CG 3.25Å; L612-L616 WeakPolarHBondContact O-CG 3.31Å; L612-L616 PolarHBondContact O-N 3.24Å
613A81.1Confident82.7Confident18 Ų1871.1 Ų71.115%0.14941%0.412CS..Hα-helixtrans-65.7-40.1177.100000111.7V290 S610 L616 A617V290-A613 HydrophobicContact CG1-CB 4.07Å; S610-A613 WeakPolarHBondContact O-CB 3.26Å; S610-A613 PolarHBondContact O-N 2.98Å; S610-A613 PolarHBondContact OG-N 2.81Å; A613-L616 PolarHBondContact O-N 3.05Å; A613-A617 WeakPolarHBondContact O-CB 3.27Å; A613-A617 PolarHBondContact O-N 3.04Å
614L87.3Confident83.5Confident42 Ų4265.8 Ų65.822%0.2238%0.377CS..Hα-helixtrans-64.6-44.3175.1-82.476000111.5V287 I588 S610 P611 A617 F618V287-L614 HydrophobicContact CG1-CD1 4.43Å; I588-L614 HydrophobicContact CG2-CD2 3.83Å; I588-L614 HydrophobicContact CG2-CG 4.2Å; S610-L614 VanDerWaalsContact O-CD1 3.25Å; S610-L614 WeakPolarHBondContact O-CD1 3.33Å; S610-L614 PolarHBondContact O-N 2.86Å; P611-L614 PolarHBondContact O-N 2.85Å; L614-A617 PolarHBondContact O-N 2.9Å; L614-F618 PolarHBondContact O-N 3.27Å
615L89.1Confident84.4Confident115 Ų11562.4 Ų62.460%0.60234%0.343SS*.Hα-helixtrans-62.6-44.2177-176.969.2000111.6P611 L612 A617 F618 L619P611-L615 WeakPolarHBondContact O-CB 3.48Å; P611-L615 PolarHBondContact O-N 2.84Å; L612-L615 PolarHBondContact O-N 3.19Å; L615-A617 VanDerWaalsContact C-N 3.33Å; L615-A617 PolarHBondContact O-N 3.12Å; L615-F618 PolarHBondContact O-N 2.86Å; L615-L619 WeakPolarHBondContact O-CB 3.35Å; L615-L619 PolarHBondContact O-N 3.38Å
616L85.7Confident85.4Confident97 Ų9762.7 Ų62.751%0.50835%0.349SS..Hα-helixtrans-64.3-37.9176.5-74.1173.5000111.7L612 A613 L619 C620L612-L616 HydrophobicContact CD1-CD1 4.4Å; L612-L616 HydrophobicContact CD1-CG 4.38Å; L612-L616 HydrophobicContact CG-CD1 4.07Å; L612-L616 HydrophobicContact CG-CG 4.45Å; L612-L616 WeakPolarHBondContact O-CB 3.45Å; L612-L616 VanDerWaalsContact O-CG 3.25Å; L612-L616 WeakPolarHBondContact O-CG 3.31Å; L612-L616 PolarHBondContact O-N 3.24Å; A613-L616 PolarHBondContact O-N 3.05Å; L616-L619 PolarHBondContact O-N 2.77Å; L616-C620 WeakPolarHBondContact O-CB 3.36Å; L616-C620 PolarHBondContact O-N 3.03Å
617A84.9Confident86.2Confident8 Ų859.5 Ų59.57%0.06634%0.337CS..Hα-helixtrans-63.1-42.9174.900000111.9I283 V287 A613 L614 L615 C620 S621I283-A617 HydrophobicContact CG2-CB 4.26Å; V287-A617 HydrophobicContact CG2-CB 3.81Å; A613-A617 WeakPolarHBondContact O-CB 3.27Å; A613-A617 PolarHBondContact O-N 3.04Å; L614-A617 PolarHBondContact O-N 2.9Å; L615-A617 VanDerWaalsContact C-N 3.33Å; L615-A617 PolarHBondContact O-N 3.12Å; A617-C620 PolarHBondContact O-N 2.88Å; A617-S621 PolarHBondContact O-N 2.82Å
618F87.2Confident86.8Confident95 Ų9559.9 Ų59.942%0.41734%0.338SS..Hα-helixtrans-66.2-41175.2-173.7-91.8000112.6L581 L614 L615 C620 S621 T622L581-F618 HydrophobicContact CD2-CD2 4.27Å; L581-F618 HydrophobicContact CD2-CE1 3.88Å; L581-F618 HydrophobicContact CD2-CE2 3.61Å; L581-F618 HydrophobicContact CD2-CZ 3.39Å; L581-F618 HydrophobicContact CG-CZ 4.49Å; L614-F618 PolarHBondContact O-N 3.27Å; L615-F618 PolarHBondContact O-N 2.86Å; F618-C620 VanDerWaalsContact C-N 3.32Å; F618-C620 PolarHBondContact O-N 3.48Å; F618-S621 PolarHBondContact O-N 3.41Å; F618-S621 PolarHBondContact O-OG 2.92Å; F618-T622 PolarHBondContact O-N 3.25Å; F618-T622 PolarHBondContact O-OG1 2.98Å
619L89.5Confident87.5Confident100 Ų10057.8 Ų57.852%0.52432%0.317SS..Hα-helixtrans-64.8-40.4175.2-17365000110.8L615 L616 T622 V623L615-L619 WeakPolarHBondContact O-CB 3.35Å; L615-L619 PolarHBondContact O-N 3.38Å; L616-L619 PolarHBondContact O-N 2.77Å; L619-T622 WeakPolarHBondContact O-CB 3.44Å; L619-T622 PolarHBondContact O-N 2.89Å; L619-V623 HydrophobicContact CG-CG2 4.48Å; L619-V623 VanDerWaalsContact O-CG2 3.29Å; L619-V623 WeakPolarHBondContact O-CG2 3.39Å; L619-V623 PolarHBondContact O-N 3.09Å
620C86.5Confident88.3Confident47 Ų4759.5 Ų59.532%0.31832%0.321SS..Hα-helixtrans-66-39.8177.7-159.90000111.9L533 L616 A617 F618 T622 V623 T624L533-C620 HydrophobicContact CD2-CB 4.04Å; L533-C620 WeakPolarHBondContact CD2-SG 2.93Å; L616-C620 WeakPolarHBondContact O-CB 3.36Å; L616-C620 PolarHBondContact O-N 3.03Å; A617-C620 PolarHBondContact O-N 2.88Å; F618-C620 VanDerWaalsContact C-N 3.32Å; F618-C620 PolarHBondContact O-N 3.48Å; C620-T622 VanDerWaalsContact C-N 3.31Å; C620-T622 PolarHBondContact O-N 2.91Å; C620-V623 PolarHBondContact O-N 2.59Å; C620-T624 WeakPolarHBondContact O-CB 3.4Å; C620-T624 VanDerWaalsContact O-CG2 3.31Å; C620-T624 WeakPolarHBondContact O-CG2 3.48Å; C620-T624 PolarHBondContact O-N 3.28Å; C620-T624 PolarHBondContact O-OG1 3.01Å
621S86.1Confident88.8Confident0 Ų060.6 Ų60.60%032%0.322CS..Hα-helixtrans-63.4-38.1173.678.80000112.1I283 C580 A617 F618 T624 G625I283-S621 VanDerWaalsContact CD1-CB 3.46Å; C580-S621 VanDerWaalsContact CB-O 3.23Å; C580-S621 WeakPolarHBondContact CB-O 3.5Å; A617-S621 PolarHBondContact O-N 2.82Å; F618-S621 PolarHBondContact O-N 3.41Å; F618-S621 PolarHBondContact O-OG 2.92Å; S621-T624 WeakPolarHBondContact CA-OG1 3.44Å; S621-T624 PolarHBondContact O-OG1 3.26Å; S621-G625 PolarHBondContact O-N 3.02Å
622T89Confident89.1Confident29 Ų2955.5 Ų55.518%0.17829%0.289CS..Hα-helixtrans-66.7-48.7176.3-51.40000111.4V577 L581 F618 L619 C620 T624 G625 I626V577-T622 HydrophobicContact CG1-CG2 4.38Å; L581-T622 WeakPolarHBondContact CD2-OG1 3.5Å; F618-T622 PolarHBondContact O-N 3.25Å; F618-T622 PolarHBondContact O-OG1 2.98Å; L619-T622 WeakPolarHBondContact O-CB 3.44Å; L619-T622 PolarHBondContact O-N 2.89Å; C620-T622 VanDerWaalsContact C-N 3.31Å; C620-T622 PolarHBondContact O-N 2.91Å; T622-T624 PolarHBondContact O-N 2.97Å; T622-G625 PolarHBondContact O-N 3.39Å; T622-I626 HydrophobicContact CG2-CD1 4.2Å; T622-I626 WeakPolarHBondContact O-CG1 3.4Å; T622-I626 PolarHBondContact O-N 3.31Å
623V91.6Very high89.5Confident81 Ų8150.3 Ų50.349%0.49126%0.262SS..Hα-helixtrans-64.1-40.6-179.3171.10000111.2L619 C620 I626 L627L619-V623 HydrophobicContact CG-CG2 4.48Å; L619-V623 VanDerWaalsContact O-CG2 3.29Å; L619-V623 WeakPolarHBondContact O-CG2 3.39Å; L619-V623 PolarHBondContact O-N 3.09Å; C620-V623 PolarHBondContact O-N 2.59Å; V623-I626 PolarHBondContact O-N 3.45Å; V623-L627 VanDerWaalsContact O-CB 3.31Å; V623-L627 WeakPolarHBondContact O-CB 3.45Å; V623-L627 PolarHBondContact O-N 2.93Å
624T87.7Confident90.1Very high13 Ų1353.8 Ų53.88%0.0827%0.272CS..Hα-helixtrans-63.6-43.5174.547.80000111.4L533 C620 S621 T622 I626 L627 F628L533-T624 HydrophobicContact CD2-CG2 4.43Å; L533-T624 HydrophobicContact CG-CG2 4.3Å; C620-T624 WeakPolarHBondContact O-CB 3.4Å; C620-T624 VanDerWaalsContact O-CG2 3.31Å; C620-T624 WeakPolarHBondContact O-CG2 3.48Å; C620-T624 PolarHBondContact O-N 3.28Å; C620-T624 PolarHBondContact O-OG1 3.01Å; S621-T624 WeakPolarHBondContact CA-OG1 3.44Å; S621-T624 PolarHBondContact O-OG1 3.26Å; T622-T624 PolarHBondContact O-N 2.97Å; T624-I626 VanDerWaalsContact C-N 3.34Å; T624-I626 PolarHBondContact O-N 3.2Å; T624-L627 PolarHBondContact O-N 2.76Å; T624-F628 HydrophobicContact CG2-CE2 4.37Å; T624-F628 WeakPolarHBondContact O-CB 3.31Å; T624-F628 VanDerWaalsContact O-CD2 3.28Å; T624-F628 WeakPolarHBondContact O-CD2 3.4Å; T624-F628 PolarHBondContact O-N 2.81Å
625G90.5Very high90.3Very high0 Ų055.3 Ų55.30%028%0.28CS..Hα-helixtrans-59.3-41.4174.200000113.6C580 S621 T622 G629C580-G625 WeakPolarHBondContact SG-CA 3.5Å; S621-G625 PolarHBondContact O-N 3.02Å; T622-G625 PolarHBondContact O-N 3.39Å; G625-G629 WeakPolarHBondContact O-CA 3.33Å; G625-G629 PolarHBondContact O-N 2.89Å
626I93.6Very high90.4Very high80 Ų8049.9 Ų49.941%0.4125%0.251SS..Hα-helixtrans-66.3-51.3175.4-66.7170.8000110.4V577 T622 V623 T624 W630V577-I626 HydrophobicContact CG2-CG1 3.66Å; T622-I626 HydrophobicContact CG2-CD1 4.2Å; T622-I626 WeakPolarHBondContact O-CG1 3.4Å; T622-I626 PolarHBondContact O-N 3.31Å; V623-I626 PolarHBondContact O-N 3.45Å; T624-I626 VanDerWaalsContact C-N 3.34Å; T624-I626 PolarHBondContact O-N 3.2Å; I626-W630 WeakPolarHBondContact O-CB 3.42Å; I626-W630 PolarHBondContact O-N 3.46Å
627L92.9Very high90.7Very high116 Ų11646.1 Ų46.161%0.60723%0.234SC*.Hα-helixtrans-61.9-49.2-174.5-176.567.6000112.1V623 T624V623-L627 VanDerWaalsContact O-CB 3.31Å; V623-L627 WeakPolarHBondContact O-CB 3.45Å; V623-L627 PolarHBondContact O-N 2.93Å; T624-L627 PolarHBondContact O-N 2.76Å
628F92.1Very high90.9Very high25 Ų2553.8 Ų53.811%0.1126%0.262CS..Hα-helixtrans-82.7-22.4-176.7-70.5-66.2000113.2V534 G537 I538 M541 T624 P632V534-F628 HydrophobicContact CG1-CZ 4.16Å; G537-F628 VanDerWaalsContact C-CD2 3.45Å; G537-F628 VanDerWaalsContact C-CG 3.41Å; G537-F628 VanDerWaalsContact O-CB 3.26Å; G537-F628 WeakPolarHBondContact O-CB 3.39Å; G537-F628 WeakPolarHBondContact O-CG 3.27Å; I538-F628 HydrophobicContact CG1-CD1 4.46Å; I538-F628 HydrophobicContact CG1-CE1 3.65Å; I538-F628 HydrophobicContact CG1-CZ 3.98Å; M541-F628 HydrophobicContact CB-CB 4.02Å; M541-F628 HydrophobicContact CB-CD1 4.04Å; M541-F628 HydrophobicContact CB-CG 4.47Å; M541-F628 HydrophobicContact SD-CD1 4.22Å; T624-F628 HydrophobicContact CG2-CE2 4.37Å; T624-F628 WeakPolarHBondContact O-CB 3.31Å; T624-F628 VanDerWaalsContact O-CD2 3.28Å; T624-F628 WeakPolarHBondContact O-CD2 3.4Å; T624-F628 PolarHBondContact O-N 2.81Å; F628-P632 VanDerWaalsContact O-CD 3.29Å; F628-P632 WeakPolarHBondContact O-CD 3.4Å
629G92.1Very high91Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-82.8-25.317300000114.2G625 P632 A633G625-G629 WeakPolarHBondContact O-CA 3.33Å; G625-G629 PolarHBondContact O-N 2.89Å; G629-P632 WeakPolarHBondContact O-CD 3.28Å; G629-P632 WeakPolarHBondContact O-CG 3.42Å; G629-A633 WeakPolarHBondContact O-CB 3.37Å; G629-A633 PolarHBondContact O-N 3.19Å; G629-A633 VanDerWaalsContact O-N 3.14Å
630W94.3Very high90.9Very high118 Ų11849.7 Ų49.745%0.44724%0.244SC..Hα-helixtrans-67.8-42-173.4-179.985.1000113.6L573 I626 A633 R634L573-W630 HydrophobicContact CD1-CB 4.41Å; I626-W630 WeakPolarHBondContact O-CB 3.42Å; I626-W630 PolarHBondContact O-N 3.46Å; W630-A633 PolarHBondContact O-N 3.13Å; W630-R634 WeakPolarHBondContact O-CB 3.49Å; W630-R634 PolarHBondContact O-N 2.88Å
631L92.4Very high90.9Very high73 Ų7348.2 Ų48.238%0.38223%0.234SC..Hα-helixtrans-61.4-54179.1-171.9155.6000112.5L545 A633 R634 N635L545-L631 HydrophobicContact CD2-CD2 4.1Å; L631-A633 VanDerWaalsContact C-N 3.33Å; L631-A633 PolarHBondContact O-N 3.08Å; L631-R634 PolarHBondContact O-N 2.95Å; L631-N635 WeakPolarHBondContact CD2-ND2 3.38Å; L631-N635 PolarHBondContact O-N 2.81Å
632P92.5Very high91Very high0 Ų049.2 Ų49.20%024%0.24CC..Hα-helixtrans-62-40.2177.118.8-28.3000112.4M544 L545 V548 F628 G629 R634 N635 A636M544-P632 HydrophobicContact CB-CB 3.92Å; M544-P632 HydrophobicContact CB-CG 3.61Å; L545-P632 HydrophobicContact CD2-CB 3.83Å; L545-P632 HydrophobicContact CG-CB 4.02Å; V548-P632 HydrophobicContact CG2-CB 4.26Å; F628-P632 VanDerWaalsContact O-CD 3.29Å; F628-P632 WeakPolarHBondContact O-CD 3.4Å; G629-P632 WeakPolarHBondContact O-CD 3.28Å; G629-P632 WeakPolarHBondContact O-CG 3.42Å; P632-R634 VanDerWaalsContact C-N 3.34Å; P632-R634 PolarHBondContact O-N 2.96Å; P632-N635 PolarHBondContact O-N 2.97Å; P632-A636 PolarHBondContact O-N 2.86Å
633A92.8Very high90.9Very high0 Ų053.1 Ų53.10%026%0.26CS..Hα-helixtrans-65.2-37.2178.200000112.2L569 F572 L573 G629 W630 L631 A636 A637L569-A633 VanDerWaalsContact CD1-C 3.5Å; L569-A633 HydrophobicContact CD1-CB 3.66Å; F572-A633 HydrophobicContact CB-CB 3.63Å; L573-A633 HydrophobicContact CB-CB 4.43Å; G629-A633 WeakPolarHBondContact O-CB 3.37Å; G629-A633 PolarHBondContact O-N 3.19Å; G629-A633 VanDerWaalsContact O-N 3.14Å; W630-A633 PolarHBondContact O-N 3.13Å; L631-A633 VanDerWaalsContact C-N 3.33Å; L631-A633 PolarHBondContact O-N 3.08Å; A633-A636 WeakPolarHBondContact O-CB 3.06Å; A633-A636 PolarHBondContact O-N 3.21Å; A633-A637 WeakPolarHBondContact O-CB 3.39Å; A633-A637 PolarHBondContact O-N 3.47Å
634R94.4Very high90.8Very high91 Ų9149.4 Ų49.434%0.34324%0.237SC..Hα-helixtrans-68.3-37.9173.6-179.9174.9177.8147.20.3112.1L569 W630 L631 P632 A637 R638L569-R634 HydrophobicContact CD1-CB 4.28Å; W630-R634 WeakPolarHBondContact O-CB 3.49Å; W630-R634 PolarHBondContact O-N 2.88Å; L631-R634 PolarHBondContact O-N 2.95Å; P632-R634 VanDerWaalsContact C-N 3.34Å; P632-R634 PolarHBondContact O-N 2.96Å; R634-A637 PolarHBondContact O-N 3.44Å; R634-R638 WeakPolarHBondContact O-CB 3.37Å; R634-R638 WeakPolarHBondContact O-CG 3.43Å; R634-R638 PolarHBondContact O-N 2.91Å
635N92Very high90.8Very high74 Ų7449.7 Ų49.740%0.39624%0.239SC..Hα-helixtrans-64.3-42.8174.5-72.7-8.9000110.9L631 P632 A637 R638 L639L631-N635 WeakPolarHBondContact CD2-ND2 3.38Å; L631-N635 PolarHBondContact O-N 2.81Å; P632-N635 PolarHBondContact O-N 2.97Å; N635-A637 PolarHBondContact O-N 3.2Å; N635-R638 PolarHBondContact O-N 3.17Å; N635-L639 PolarHBondContact O-N 3.29Å
636A91.6Very high90.4Very high0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-58.7-45.9174.600000112.4V548 I555 V568 F572 P632 A633 R638 L639V548-A636 HydrophobicContact CB-CB 4.49Å; V548-A636 HydrophobicContact CG1-CB 3.69Å; V548-A636 HydrophobicContact CG2-CB 3.93Å; I555-A636 HydrophobicContact CD1-CB 3.84Å; V568-A636 HydrophobicContact CG1-CB 3.86Å; F572-A636 HydrophobicContact CD2-CB 3.71Å; F572-A636 HydrophobicContact CE2-CB 3.72Å; P632-A636 PolarHBondContact O-N 2.86Å; A633-A636 WeakPolarHBondContact O-CB 3.06Å; A633-A636 PolarHBondContact O-N 3.21Å; A636-R638 PolarHBondContact O-N 2.99Å; A636-L639 WeakPolarHBondContact O-CB 3.49Å; A636-L639 PolarHBondContact O-N 2.93Å
637A90.8Very high89.8Confident18 Ų1855.9 Ų55.915%0.14927%0.272CS..Hα-helixtrans-68.7-16.7179.500000114.4A565 L569 A633 R634 N635A565-A637 HydrophobicContact CB-CB 4.29Å; A565-A637 WeakPolarHBondContact O-CB 3.31Å; L569-A637 HydrophobicContact CB-CB 4.06Å; A633-A637 WeakPolarHBondContact O-CB 3.39Å; A633-A637 PolarHBondContact O-N 3.47Å; R634-A637 PolarHBondContact O-N 3.44Å; N635-A637 PolarHBondContact O-N 3.2Å
638R90.1Very high88.7Confident170 Ų17058.9 Ų58.964%0.64228%0.283SS*.THydrogen-bonded Turntrans-96-3.5178.4-79.2178.3164.4-161.5-15.1113.7R634 N635 A636R634-R638 WeakPolarHBondContact O-CB 3.37Å; R634-R638 WeakPolarHBondContact O-CG 3.43Å; R634-R638 PolarHBondContact O-N 2.91Å; N635-R638 PolarHBondContact O-N 3.17Å; A636-R638 PolarHBondContact O-N 2.99Å
639L88.8Confident88.6Confident49 Ų4960.6 Ų60.626%0.25729%0.292SS..SBendtrans-63.4137.7177.1-69172.7000109.9T552 I555 M559 N635 A636T552-L639 HydrophobicContact CG2-CD1 4.22Å; I555-L639 HydrophobicContact CB-CD1 4.42Å; I555-L639 HydrophobicContact CD1-CD1 3.86Å; I555-L639 HydrophobicContact CG2-CD1 4.16Å; M559-L639 HydrophobicContact CE-CB 4.22Å; M559-L639 VanDerWaalsContact CE-O 3.23Å; M559-L639 WeakPolarHBondContact CE-O 3.38Å; N635-L639 PolarHBondContact O-N 3.29Å; A636-L639 WeakPolarHBondContact O-CB 3.49Å; A636-L639 PolarHBondContact O-N 2.93Å
640D87.2Confident88.4Confident59 Ų5963.8 Ų63.832%0.31631%0.307SS..  trans-73128.6169-166.2-46.2000108.5V642 D643 A644D640-V642 PolarHBondContact O-N 3.44Å; D640-V642 WeakPolarHBondContact OD1-CB 3.31Å; D640-V642 PolarHBondContact OD1-N 2.88Å; D640-D643 HydrophobicContact CB-CB 4.18Å; D640-D643 PolarHBondContact O-N 3.29Å; D640-A644 WeakPolarHBondContact O-CB 3.37Å; D640-A644 PolarHBondContact O-N 2.85Å
641P87.3Confident88.1Confident17 Ų1760.8 Ų60.811%0.1130%0.299CS..Hα-helixtrans-57-31.5177.623.5-35.1000113.3L57 M559 L645L57-P641 HydrophobicContact CD2-CB 3.76Å; L57-P641 HydrophobicContact CD2-CG 4.09Å; M559-P641 HydrophobicContact CB-CB 3.99Å; M559-P641 HydrophobicContact CE-CB 3.96Å; P641-L645 WeakPolarHBondContact O-CB 3.43Å; P641-L645 VanDerWaalsContact O-CG 3.27Å; P641-L645 WeakPolarHBondContact O-CG 3.46Å; P641-L645 PolarHBondContact O-N 2.81Å
642V87.5Confident87.8Confident21 Ų2160.1 Ų60.113%0.12730%0.295CS..Hα-helixtrans-68.6-51.8179.1178.80000110.4N52 L57 D58 D640 A644 L645 A646N52-V642 HydrophobicContact CB-CG2 4.11Å; N52-V642 WeakPolarHBondContact ND2-CG1 3.29Å; L57-V642 HydrophobicContact CB-CG2 3.96Å; D58-V642 HydrophobicContact CB-CG2 4.01Å; D640-V642 PolarHBondContact O-N 3.44Å; D640-V642 WeakPolarHBondContact OD1-CB 3.31Å; D640-V642 PolarHBondContact OD1-N 2.88Å; V642-A644 PolarHBondContact O-N 2.78Å; V642-L645 PolarHBondContact O-N 2.92Å; V642-A646 VanDerWaalsContact O-CB 3.32Å; V642-A646 WeakPolarHBondContact O-CB 3.5Å; V642-A646 PolarHBondContact O-N 3.43Å
643D87.4Confident87.5Confident111 Ų11163.8 Ų63.859%0.59431%0.313SS*.Hα-helixtrans-60.4-39.3176.9-70.6-16.7000111.1D640 A646 R647D640-D643 HydrophobicContact CB-CB 4.18Å; D640-D643 PolarHBondContact O-N 3.29Å; D643-A646 PolarHBondContact O-N 3.49Å; D643-R647 WeakPolarHBondContact O-CB 3.48Å; D643-R647 PolarHBondContact O-N 2.83Å
644A89.4Confident87.2Confident2 Ų268.1 Ų68.12%0.01733%0.334CS..Hα-helixtrans-66.6-37.4-17900000113.1T552 R553 M559 D640 V642T552-A644 HydrophobicContact CG2-CB 3.97Å; R553-A644 WeakPolarHBondContact CA-O 3.47Å; M559-A644 HydrophobicContact CE-CB 4.49Å; D640-A644 WeakPolarHBondContact O-CB 3.37Å; D640-A644 PolarHBondContact O-N 2.85Å; V642-A644 PolarHBondContact O-N 2.78Å
645L87.4Confident86.6Confident20 Ų2066.4 Ų66.411%0.10533%0.333CS..Hα-helixtrans-77.5-35.9176.5-73.7171000112.5L57 F92 I557 A560 P641 V642L57-L645 HydrophobicContact CD2-CD1 4.49Å; F92-L645 HydrophobicContact CE1-CD1 3.94Å; F92-L645 HydrophobicContact CZ-CD1 3.84Å; I557-L645 HydrophobicContact CB-CD2 4.28Å; A560-L645 HydrophobicContact CB-CD1 4.18Å; P641-L645 WeakPolarHBondContact O-CB 3.43Å; P641-L645 VanDerWaalsContact O-CG 3.27Å; P641-L645 WeakPolarHBondContact O-CG 3.46Å; P641-L645 PolarHBondContact O-N 2.81Å; V642-L645 PolarHBondContact O-N 2.92Å
646A82.8Confident86.2Confident72 Ų7265.8 Ų65.860%0.59533%0.328SS*.Hα-helixtrans-75.8-27.1-178.400000113.5V642 D643 E648V642-A646 VanDerWaalsContact O-CB 3.32Å; V642-A646 WeakPolarHBondContact O-CB 3.5Å; V642-A646 PolarHBondContact O-N 3.43Å; D643-A646 PolarHBondContact O-N 3.49Å; A646-E648 PolarHBondContact O-N 3.39Å
647R79.6Confident85.8Confident137 Ų13771.3 Ų71.352%0.51736%0.356SS..  trans-59.6132.1-177.9-167.3174.1-173170.24.5111.3T552 R553 D643T552-R647 HydrophobicContact CG2-CB 4.48Å; R553-R647 PolarHBondContact NE-O 2.96Å; R553-R647 PolarHBondContact NH2-O 2.88Å; D643-R647 WeakPolarHBondContact O-CB 3.48Å; D643-R647 PolarHBondContact O-N 2.83Å
648E71.3Confident85.3Confident180 Ų18076.2 Ų76.284%0.84137%0.374SS*.  trans-96.80177.7-60.3-159.3143.300117.5R94 R553 A646R94-E648 IonicContact CZ-OE1 3.77Å; R94-E648 IonicContact NH1-OE1 2.88Å; R94-E648 PolarHBondContact NH1-OE1 2.91Å; R94-E648 IonicContact NH2-OE1 3.22Å; R94-E648 PolarHBondContact NH2-OE1 2.97Å; R553-E648 PolarHBondContact NH1-OXT 3.15Å; R553-E648 PolarHBondContact NH2-OXT 2.63Å; A646-E648 PolarHBondContact O-N 3.39Å

Retrieved 648 of 648 residues in 189.1 ms (Link to these results)

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