A0A077ZLP8_TRITR Loading...

Fer4 20 and EKR and Pyr redox 2 and POR and POR N and Pyr redox domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,125 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
1M40.9Very low80.3Confident224 Ų22498.5 Ų98.5100%1.10351%0.512SS*.  0116.90-69.3-177.1-176.200107.2K3M1-K3 PolarHBondContact O-N 3.07Å
2A51.3Low81.3Confident93 Ų93100.2 Ų100.277%0.76951%0.512SS*.  trans-54.9135.9168.200000108.5R4A2-R4 PolarHBondContact O-N 3.35Å; A2-R4 VanDerWaalsContact O-N 3.13Å
3K67.4Low82.3Confident212 Ų21297.7 Ų97.792%0.92250%0.497SS*.  trans-63.8114.9174.4-82.5-179.8175.9175.70107.4M1M1-K3 PolarHBondContact O-N 3.07Å
4R81Confident83.2Confident99 Ų9992.7 Ų92.737%0.37447%0.471SS..  trans-65.7140174.1-67.5-178.3176.492.2-0.9109.5A2 R41 F111A2-R4 PolarHBondContact O-N 3.35Å; A2-R4 VanDerWaalsContact O-N 3.13Å; R4-R41 WeakPolarHBondContact CD-O 3.37Å; R4-F111 HydrophobicContact CB-CE1 4.26Å
5S88.2Confident83.9Confident55 Ų5588.9 Ų88.939%0.38546%0.459SS..  trans-61.4138.9173.4-179.10000111.1T7 R41 F111S5-T7 WeakPolarHBondContact CB-O 3.1Å; S5-T7 PolarHBondContact OG-N 2.98Å; S5-T7 PolarHBondContact OG-O 3.15Å; S5-R41 PolarHBondContact O-NE 3.42Å; S5-F111 WeakPolarHBondContact O-CD1 3.43Å
6Y89.6Confident84.4Confident137 Ų13785.8 Ų85.854%0.53745%0.446SS..SBendtrans-68.6-39.2175.3-66.8-65.2000111.7R41 K110 F111 E112Y6-R41 PolarHBondContact O-NH2 3.24Å; Y6-K110 WeakPolarHBondContact CB-O 3.39Å; Y6-K110 HydrophobicContact CD1-CB 4.21Å; Y6-K110 VanDerWaalsContact CD1-O 3.25Å; Y6-K110 WeakPolarHBondContact CD1-O 3.45Å; Y6-K110 HydrophobicContact CE1-CB 4.29Å; Y6-F111 AromaticContact CD1-CD1 3.85Å; Y6-F111 HydrophobicContact CD1-CD1 3.85Å; Y6-F111 HydrophobicContact CD1-CD2 4.06Å; Y6-F111 AromaticContact CD1-CE1 3.49Å; Y6-F111 HydrophobicContact CD1-CE1 3.49Å; Y6-F111 VanDerWaalsContact CD1-CE1 3.49Å; Y6-F111 AromaticContact CD1-CE2 3.74Å; Y6-F111 HydrophobicContact CD1-CE2 3.74Å; Y6-F111 HydrophobicContact CD1-CG 4.11Å; Y6-F111 AromaticContact CD1-CZ 3.44Å; Y6-F111 HydrophobicContact CD1-CZ 3.44Å; Y6-F111 VanDerWaalsContact CD1-CZ 3.44Å; Y6-F111 HydrophobicContact CE1-CD2 4.38Å; Y6-F111 AromaticContact CE1-CE1 3.88Å; Y6-F111 HydrophobicContact CE1-CE1 3.88Å; Y6-F111 AromaticContact CE1-CE2 3.65Å; Y6-F111 HydrophobicContact CE1-CE2 3.65Å; Y6-F111 AromaticContact CE1-CZ 3.36Å; Y6-F111 HydrophobicContact CE1-CZ 3.36Å; Y6-F111 HydrophobicContact CG-CE1 4.31Å; Y6-F111 WeakPolarHBondContact O-CA 3.3Å; Y6-E112 PolarHBondContact O-N 2.87Å
7T93.1Very high84.8Confident73 Ų7387.6 Ų87.645%0.44845%0.452SS..SBendtrans-102.3156.4-179.456.60000111.4S5 R41S5-T7 WeakPolarHBondContact CB-O 3.1Å; S5-T7 PolarHBondContact OG-N 2.98Å; S5-T7 PolarHBondContact OG-O 3.15Å; T7-R41 PolarHBondContact O-NE 3.46Å
8K94.2Very high85.2Confident50 Ų5087.9 Ų87.922%0.21745%0.453CS..PPolyproline II helixtrans-58.4149.7168.4-69.5168.1174.9-177.80110.1E38 E100 E112 P113 A115K8-E38 WeakPolarHBondContact CA-OE2 3.33Å; K8-E100 IonicContact NZ-OE2 3.51Å; K8-E100 PolarHBondContact NZ-OE2 3.14Å; K8-E112 WeakPolarHBondContact CB-OE2 3.49Å; K8-E112 HydrophobicContact CG-CB 4.04Å; K8-E112 VanDerWaalsContact CG-OE2 3.31Å; K8-E112 WeakPolarHBondContact CG-OE2 3.46Å; K8-E112 PolarHBondContact N-OE2 3.37Å; K8-P113 WeakPolarHBondContact CE-O 3.44Å; K8-P113 VanDerWaalsContact CG-O 3.25Å; K8-P113 WeakPolarHBondContact CG-O 3.42Å; K8-A115 HydrophobicContact CB-CB 4.42Å; K8-A115 HydrophobicContact CD-CB 3.93Å; K8-A115 HydrophobicContact CG-CB 4.02Å
9T94.3Very high85.6Confident15 Ų1583.3 Ų83.39%0.09243%0.43CS..PPolyproline II helixtrans-60.4123.6166.2-58.10000108.3Y30 E34 E38T9-Y30 HydrophobicContact CG2-CE1 4.01Å; T9-Y30 WeakPolarHBondContact O-CE1 3.48Å; T9-Y30 PolarHBondContact O-OH 3.33Å; T9-E34 HydrophobicContact CG2-CB 3.95Å; T9-E34 HydrophobicContact CG2-CG 4.18Å; T9-E38 PolarHBondContact N-OE2 2.89Å
10P91.6Very high86Confident107 Ų10780.7 Ų80.770%0.69542%0.417SS*.PPolyproline II helixtrans-63.7141178.725.8-33000110.1
11M91.9Very high86.2Confident18 Ų1884 Ų849%0.08943%0.43CS..PPolyproline II helixtrans-94.2138.1173.4-178.5169.2-79.500107.8A27 Y30 K118M11-A27 HydrophobicContact CG-CB 4.5Å; M11-A27 HydrophobicContact SD-CB 3.83Å; M11-Y30 HydrophobicContact CB-CD1 4.38Å; M11-Y30 HydrophobicContact CB-CE1 3.99Å; M11-Y30 HydrophobicContact CE-CD1 4.07Å; M11-Y30 HydrophobicContact CE-CD2 4.35Å; M11-Y30 HydrophobicContact CE-CE1 4.25Å; M11-Y30 HydrophobicContact CE-CG 4.11Å; M11-K118 HydrophobicContact CB-CD 4.08Å; M11-K118 HydrophobicContact CE-CB 3.53Å; M11-K118 HydrophobicContact CE-CD 3.73Å; M11-K118 HydrophobicContact CE-CG 3.51Å; M11-K118 HydrophobicContact SD-CD 4.3Å; M11-K118 HydrophobicContact SD-CG 4.35Å
12K92.6Very high88.7Confident119 Ų11974.8 Ų74.852%0.51739%0.386SS..PPolyproline II helixtrans-68.3138.2176.9-64.9175.5-171.1164.30109.3L28 E34K12-L28 HydrophobicContact CB-CB 4.25Å; K12-L28 HydrophobicContact CB-CD1 4.25Å; K12-L28 WeakPolarHBondContact O-CB 3.43Å; K12-L28 PolarHBondContact O-N 3.22Å; K12-E34 WeakPolarHBondContact CE-OE1 3.31Å; K12-E34 IonicContact NZ-OE1 3.25Å
13E94Very high90.8Very high68 Ų6871.4 Ų71.432%0.31835%0.353SS..BIsolated β-bridgetrans-126.5153.8176.5-62.1179.9-177.900109.4R19 V26 H327E13-R19 IonicContact OE2-CZ 3.75Å; E13-R19 IonicContact OE2-NH1 3.6Å; E13-R19 PolarHBondContact OE2-NH1 3.41Å; E13-V26 CarbonylContact C-O 3.49Å; E13-V26 WeakPolarHBondContact CA-O 3.5Å; E13-H327 IonicContact OE1-CD2 2.65Å; E13-H327 IonicContact OE1-CE1 3.86Å; E13-H327 IonicContact OE1-NE2 2.87Å; E13-H327 PolarHBondContact OE1-NE2 3.22Å; E13-H327 IonicContact OE2-CD2 3.71Å; E13-H327 PolarHBondContact OE2-CD2 3.11Å; E13-H327 IonicContact OE2-NE2 3.55Å; E13-H327 PolarHBondContact OE2-NE2 2.93Å
14Q94.9Very high92Very high28 Ų2866.3 Ų66.313%0.13134%0.336CS..  trans-60.6142.5164.8-72.7-169.866.600110.2R19 N22 D24 E25 V26 L28Q14-R19 HydrophobicContact CB-CB 3.69Å; Q14-R19 WeakPolarHBondContact O-CD 3.29Å; Q14-R19 PolarHBondContact O-NH1 2.95Å; Q14-N22 PolarHBondContact OE1-ND2 3.42Å; Q14-D24 PolarHBondContact NE2-O 2.71Å; Q14-E25 PolarHBondContact NE2-O 2.95Å; Q14-V26 PolarHBondContact N-O 3.41Å; Q14-L28 HydrophobicContact CG-CD2 4.25Å
15A93.2Very high92.6Very high35 Ų3562.8 Ų62.829%0.28932%0.324SS..  trans-61.2140.1176.400000110.6E17 I18 R19A15-E17 VanDerWaalsContact C-N 3.26Å; A15-E17 VanDerWaalsContact CB-OE1 3.31Å; A15-E17 WeakPolarHBondContact CB-OE1 3.44Å; A15-E17 PolarHBondContact O-N 3.16Å; A15-E17 VanDerWaalsContact O-N 3.17Å; A15-I18 HydrophobicContact CB-CD1 4.15Å; A15-I18 HydrophobicContact CB-CG1 4.3Å; A15-I18 PolarHBondContact O-N 3.3Å; A15-R19 PolarHBondContact O-N 3.44Å
16P92.5Very high92.9Very high39 Ų3960.4 Ų60.425%0.25331%0.307SS..Hα-helixtrans-51.6-40.5-174.4-29.235.9000114.8I18 N20 E330P16-I18 VanDerWaalsContact C-N 3.29Å; P16-I18 PolarHBondContact O-N 3.11Å; P16-N20 WeakPolarHBondContact O-CB 3.18Å; P16-N20 PolarHBondContact O-N 3.43Å; P16-N20 VanDerWaalsContact O-N 3.17Å; P16-N20 PolarHBondContact O-OD1 3.34Å; P16-E330 HydrophobicContact CB-CB 4.23Å; P16-E330 WeakPolarHBondContact CB-O 3.41Å; P16-E330 HydrophobicContact CG-CB 4.05Å
17E91Very high93Very high117 Ų11754.5 Ų54.555%0.54729%0.287SS..Hα-helixtrans-72.1-16.7179.467.1-79.8-17500114.7A15 N20 Q21A15-E17 VanDerWaalsContact C-N 3.26Å; A15-E17 VanDerWaalsContact CB-OE1 3.31Å; A15-E17 WeakPolarHBondContact CB-OE1 3.44Å; A15-E17 PolarHBondContact O-N 3.16Å; A15-E17 VanDerWaalsContact O-N 3.17Å; E17-N20 PolarHBondContact O-OD1 3.22Å; E17-N20 VanDerWaalsContact O-OD1 3.08Å; E17-Q21 PolarHBondContact O-NE2 3.34Å
18I92.5Very high93Very high93 Ų9355.7 Ų55.748%0.47729%0.29SS..Hα-helixtrans-93.3-52.2174.8-60.8177000109.1A15 P16 N20 Q21 N22A15-I18 HydrophobicContact CB-CD1 4.15Å; A15-I18 HydrophobicContact CB-CG1 4.3Å; A15-I18 PolarHBondContact O-N 3.3Å; P16-I18 VanDerWaalsContact C-N 3.29Å; P16-I18 PolarHBondContact O-N 3.11Å; I18-N20 PolarHBondContact O-N 3.02Å; I18-Q21 PolarHBondContact O-N 3.37Å; I18-N22 PolarHBondContact O-ND2 3.02Å; I18-N22 VanDerWaalsContact O-ND2 3.11Å
19R92.9Very high92.9Very high1 Ų153.7 Ų53.70%0.00428%0.284CS..Hα-helixtrans-66.5-23.4-174.570.9-175.9-177.4-159.65.8113.7E13 Q14 A15 Q21 N22 V26 R301 E330 E331E13-R19 IonicContact OE2-CZ 3.75Å; E13-R19 IonicContact OE2-NH1 3.6Å; E13-R19 PolarHBondContact OE2-NH1 3.41Å; Q14-R19 HydrophobicContact CB-CB 3.69Å; Q14-R19 WeakPolarHBondContact O-CD 3.29Å; Q14-R19 PolarHBondContact O-NH1 2.95Å; A15-R19 PolarHBondContact O-N 3.44Å; R19-Q21 PolarHBondContact O-N 2.79Å; R19-N22 VanDerWaalsContact O-O 3.12Å; R19-V26 HydrophobicContact CB-CG2 4.26Å; R19-V26 VanDerWaalsContact CD-CG1 3.5Å; R19-V26 HydrophobicContact CG-CG2 4.5Å; R19-R301 PolarHBondContact O-NE 2.81Å; R19-R301 PolarHBondContact O-NH2 3.27Å; R19-E330 IonicContact CZ-OE2 3.35Å; R19-E330 IonicContact NH1-OE2 2.8Å; R19-E330 IonicContact NH2-OE2 3.88Å; R19-E330 PolarHBondContact NH2-OE2 3.3Å; R19-E331 WeakPolarHBondContact CD-OE1 3.23Å; R19-E331 HydrophobicContact CG-CG 4.07Å; R19-E331 IonicContact NE-OE1 2.71Å; R19-E331 PolarHBondContact NE-OE1 2.79Å
20N93Very high93Very high31 Ų3153.8 Ų53.817%0.16628%0.282CS..THydrogen-bonded Turntrans-76.9-1.7175.374-2.1000113.6P16 E17 I18 K300 R301 E331P16-N20 WeakPolarHBondContact O-CB 3.18Å; P16-N20 PolarHBondContact O-N 3.43Å; P16-N20 VanDerWaalsContact O-N 3.17Å; P16-N20 PolarHBondContact O-OD1 3.34Å; E17-N20 PolarHBondContact O-OD1 3.22Å; E17-N20 VanDerWaalsContact O-OD1 3.08Å; I18-N20 PolarHBondContact O-N 3.02Å; N20-K300 HydrophobicContact CB-CG 4.12Å; N20-R301 WeakPolarHBondContact O-CA 3.45Å; N20-E331 HydrophobicContact CB-CB 4.12Å; N20-E331 HydrophobicContact CB-CG 4.12Å
21Q91.1Very high93.1Very high149 Ų14951.7 Ų51.770%0.69627%0.267SS*.THydrogen-bonded Turntrans-116.4-0.8179.2-46.2-17222.700113.8E17 I18 R19E17-Q21 PolarHBondContact O-NE2 3.34Å; I18-Q21 PolarHBondContact O-N 3.37Å; R19-Q21 PolarHBondContact O-N 2.79Å
22N93.3Very high93.2Very high32 Ų3254.7 Ų54.717%0.17128%0.284CS..  trans-139.2166.3-179.771.456.2000111.2Q14 I18 R19 D24 R301Q14-N22 PolarHBondContact OE1-ND2 3.42Å; I18-N22 PolarHBondContact O-ND2 3.02Å; I18-N22 VanDerWaalsContact O-ND2 3.11Å; R19-N22 VanDerWaalsContact O-O 3.12Å; N22-D24 WeakPolarHBondContact OD1-CA 3.36Å; N22-D24 VanDerWaalsContact OD1-CB 3.27Å; N22-D24 WeakPolarHBondContact OD1-CB 3.44Å; N22-D24 PolarHBondContact OD1-N 2.97Å; N22-R301 WeakPolarHBondContact O-CD 3.47Å; N22-R301 VanDerWaalsContact O-CG 3.27Å; N22-R301 WeakPolarHBondContact O-CG 3.2Å; N22-R301 PolarHBondContact O-NE 3.4Å
23F93.6Very high93.2Very high21 Ų2156.5 Ų56.59%0.09229%0.294CS..  trans-10012.7177.3-81.7-95.4000112.9E186 F187 V262 Y268 R301 L302F23-E186 HydrophobicContact CB-CB 4.21Å; F23-E186 CarbonylContact O-C 3.56Å; F23-E186 WeakPolarHBondContact O-CB 3.33Å; F23-F187 AromaticContact CD1-CD1 3.94Å; F23-F187 HydrophobicContact CD1-CD1 3.94Å; F23-F187 HydrophobicContact CD1-CE1 4.46Å; F23-F187 HydrophobicContact CE1-CD1 4.27Å; F23-F187 HydrophobicContact CE1-CE1 4.35Å; F23-F187 WeakPolarHBondContact O-CA 3.38Å; F23-F187 PolarHBondContact O-N 2.99Å; F23-F187 VanDerWaalsContact O-N 3.14Å; F23-V262 HydrophobicContact CE1-CG1 3.69Å; F23-V262 HydrophobicContact CZ-CG1 4.02Å; F23-Y268 HydrophobicContact CB-CD2 4.24Å; F23-Y268 HydrophobicContact CB-CE2 4.18Å; F23-Y268 HydrophobicContact CD1-CD1 4.42Å; F23-Y268 HydrophobicContact CD1-CG 4.4Å; F23-Y268 AromaticContact CD2-CD2 3.73Å; F23-Y268 HydrophobicContact CD2-CD2 3.73Å; F23-Y268 AromaticContact CD2-CG 3.8Å; F23-Y268 HydrophobicContact CD2-CG 3.8Å; F23-Y268 HydrophobicContact CE1-CD1 4.47Å; F23-Y268 HydrophobicContact CE1-CG 4.48Å; F23-Y268 VanDerWaalsContact CE2-CB 3.43Å; F23-Y268 HydrophobicContact CE2-CD2 4.26Å; F23-Y268 AromaticContact CE2-CG 3.89Å; F23-Y268 HydrophobicContact CE2-CG 3.89Å; F23-Y268 HydrophobicContact CG-CD1 4.47Å; F23-Y268 AromaticContact CG-CD2 3.97Å; F23-Y268 HydrophobicContact CG-CD2 3.97Å; F23-Y268 HydrophobicContact CG-CE2 4.33Å; F23-Y268 HydrophobicContact CG-CG 4.07Å; F23-Y268 HydrophobicContact CZ-CG 4.24Å; F23-R301 HydrophobicContact CD2-CB 4.01Å; F23-R301 HydrophobicContact CE1-CB 4.39Å; F23-R301 HydrophobicContact CE2-CB 3.47Å; F23-R301 VanDerWaalsContact CE2-CB 3.47Å; F23-R301 HydrophobicContact CZ-CB 3.69Å; F23-L302 HydrophobicContact CE2-CD2 4.36Å; F23-L302 HydrophobicContact CE2-CG 4.35Å; F23-L302 HydrophobicContact CZ-CD2 4.39Å; F23-L302 HydrophobicContact CZ-CG 4.09Å
24D93.8Very high93.3Very high105 Ų10555 Ų5556%0.56129%0.287SS*.SBendtrans-71.4156.7178.8-58.2-41.3000111.1Q14 N22 V26 F187Q14-D24 PolarHBondContact NE2-O 2.71Å; N22-D24 WeakPolarHBondContact OD1-CA 3.36Å; N22-D24 VanDerWaalsContact OD1-CB 3.27Å; N22-D24 WeakPolarHBondContact OD1-CB 3.44Å; N22-D24 PolarHBondContact OD1-N 2.97Å; D24-V26 PolarHBondContact O-N 3.19Å; D24-F187 WeakPolarHBondContact O-CA 3.43Å; D24-F187 VanDerWaalsContact O-CB 3.24Å; D24-F187 WeakPolarHBondContact O-CB 3.46Å
25E93.7Very high93.4Very high26 Ų2653.7 Ų53.712%0.12128%0.281CS..  trans-60127.6-175.6-161.9175.6-172.900111.9Q14 A27 R91 R121 F187 P190Q14-E25 PolarHBondContact NE2-O 2.95Å; E25-A27 WeakPolarHBondContact CG-O 3.42Å; E25-R91 IonicContact OE1-CZ 3.98Å; E25-R91 IonicContact OE1-NE 3.39Å; E25-R91 PolarHBondContact OE1-NE 3.18Å; E25-R91 IonicContact OE1-NH2 3.1Å; E25-R91 PolarHBondContact OE1-NH2 2.87Å; E25-R91 IonicContact OE2-NH2 2.83Å; E25-R121 VanDerWaalsContact CD-NH2 3.26Å; E25-R121 IonicContact OE1-CZ 3.24Å; E25-R121 IonicContact OE1-NE 3.99Å; E25-R121 IonicContact OE1-NH1 2.84Å; E25-R121 PolarHBondContact OE1-NH1 2.96Å; E25-R121 IonicContact OE1-NH2 3.98Å; E25-R121 PolarHBondContact OE1-NH2 3.14Å; E25-R121 VanDerWaalsContact OE1-NH2 3.09Å; E25-R121 IonicContact OE2-NH2 2.82Å; E25-R121 PolarHBondContact OE2-NH2 2.93Å; E25-F187 WeakPolarHBondContact CA-O 3.37Å; E25-P190 HydrophobicContact CB-CG 4.05Å; E25-P190 HydrophobicContact CG-CG 4.04Å
26V94.3Very high93.5Very high4 Ų455.1 Ų55.12%0.02428%0.281CS..SBendtrans-69.9-52.3-175.6171.70000111.9E13 Q14 R19 D24 F187E13-V26 CarbonylContact C-O 3.49Å; E13-V26 WeakPolarHBondContact CA-O 3.5Å; Q14-V26 PolarHBondContact N-O 3.41Å; R19-V26 HydrophobicContact CB-CG2 4.26Å; R19-V26 VanDerWaalsContact CD-CG1 3.5Å; R19-V26 HydrophobicContact CG-CG2 4.5Å; D24-V26 PolarHBondContact O-N 3.19Å; V26-F187 HydrophobicContact CG2-CB 4.19Å; V26-F187 HydrophobicContact CG2-CD2 4.23Å; V26-F187 PolarHBondContact N-O 3.13Å
27A92.4Very high93.6Very high14 Ų1458.1 Ų58.112%0.11630%0.295CS..BIsolated β-bridgetrans-87.2129.7178.300000109.6M11 E25 R121M11-A27 HydrophobicContact CG-CB 4.5Å; M11-A27 HydrophobicContact SD-CB 3.83Å; E25-A27 WeakPolarHBondContact CG-O 3.42Å; A27-R121 VanDerWaalsContact O-CZ 3.23Å; A27-R121 PolarHBondContact O-NH1 3.12Å; A27-R121 PolarHBondContact O-NH2 3.47Å
28L92.1Very high93.9Very high98 Ų9852.6 Ų52.651%0.51327%0.269SS..  trans-95.64.1-170-58.1179.4000114.4K12 Q14K12-L28 HydrophobicContact CB-CB 4.25Å; K12-L28 HydrophobicContact CB-CD1 4.25Å; K12-L28 WeakPolarHBondContact O-CB 3.43Å; K12-L28 PolarHBondContact O-N 3.22Å; Q14-L28 HydrophobicContact CG-CD2 4.25Å
29G92.8Very high94.1Very high8 Ų848.1 Ų48.18%0.08225%0.246CC..  trans81.9172.9-179.700000113.5
30Y95.4Very high94.2Very high17 Ų1750.2 Ų50.27%0.06726%0.261CS..  trans-92.1149.2171.2-75.8-33.1000110.5T9 M11 E34 E38 K118 L119 L122T9-Y30 HydrophobicContact CG2-CE1 4.01Å; T9-Y30 WeakPolarHBondContact O-CE1 3.48Å; T9-Y30 PolarHBondContact O-OH 3.33Å; M11-Y30 HydrophobicContact CB-CD1 4.38Å; M11-Y30 HydrophobicContact CB-CE1 3.99Å; M11-Y30 HydrophobicContact CE-CD1 4.07Å; M11-Y30 HydrophobicContact CE-CD2 4.35Å; M11-Y30 HydrophobicContact CE-CE1 4.25Å; M11-Y30 HydrophobicContact CE-CG 4.11Å; Y30-E34 WeakPolarHBondContact CA-OE2 3.32Å; Y30-E34 HydrophobicContact CD1-CB 3.94Å; Y30-E34 HydrophobicContact CG-CB 4.14Å; Y30-E38 HydrophobicContact CE2-CB 4.11Å; Y30-E38 HydrophobicContact CE2-CG 4.08Å; Y30-K118 HydrophobicContact CD2-CB 3.9Å; Y30-K118 HydrophobicContact CE1-CD 4.28Å; Y30-K118 HydrophobicContact CE2-CB 3.33Å; Y30-K118 HydrophobicContact CE2-CD 4.17Å; Y30-K118 HydrophobicContact CE2-CG 4.35Å; Y30-K118 VanDerWaalsContact OH-CD 3.27Å; Y30-K118 WeakPolarHBondContact OH-CD 3.39Å; Y30-L119 HydrophobicContact CD2-CD2 4.47Å; Y30-L122 WeakPolarHBondContact O-CD1 3.39Å
31T94.4Very high94.3Very high62 Ų6248.8 Ų48.838%0.3825%0.253SS..  trans-71.8164.1157710000110.4E33 E34 G35T31-E33 PolarHBondContact O-N 2.67Å; T31-E34 PolarHBondContact N-OE2 3.17Å; T31-E34 PolarHBondContact O-N 3.49Å; T31-E34 VanDerWaalsContact OG1-CG 3.31Å; T31-E34 WeakPolarHBondContact OG1-CG 3.44Å; T31-E34 PolarHBondContact OG1-N 3.03Å; T31-G35 PolarHBondContact O-N 3.38Å
32L93.1Very high94.5Very high82 Ų8242.5 Ų42.543%0.42923%0.225SC..Hα-helixtrans-57.2-39.9175.5-176.761.7000112G35 Q36 M72L32-G35 PolarHBondContact O-N 3.04Å; L32-Q36 WeakPolarHBondContact O-CB 3.18Å; L32-Q36 WeakPolarHBondContact O-CG 3.45Å; L32-Q36 PolarHBondContact O-N 3.49Å; L32-M72 HydrophobicContact CD1-CG 4.01Å; L32-M72 HydrophobicContact CD1-SD 3.68Å
33E94.3Very high94.5Very high157 Ų15744.4 Ų44.473%0.73424%0.235SC*.Hα-helixtrans-65.3-45.4177.7-65.1-179.117600112.2T31 G35 Q36 L37T31-E33 PolarHBondContact O-N 2.67Å; E33-G35 VanDerWaalsContact C-N 3.29Å; E33-G35 PolarHBondContact O-N 3.47Å; E33-Q36 PolarHBondContact O-N 3.45Å; E33-L37 WeakPolarHBondContact O-CB 3.34Å; E33-L37 PolarHBondContact O-N 2.91Å
34E95.9Very high94.6Very high37 Ų3746.8 Ų46.817%0.17325%0.246CC..Hα-helixtrans-62-39.3176-72.7166.5173.500111T9 K12 Y30 T31 L37 E38T9-E34 HydrophobicContact CG2-CB 3.95Å; T9-E34 HydrophobicContact CG2-CG 4.18Å; K12-E34 WeakPolarHBondContact CE-OE1 3.31Å; K12-E34 IonicContact NZ-OE1 3.25Å; Y30-E34 WeakPolarHBondContact CA-OE2 3.32Å; Y30-E34 HydrophobicContact CD1-CB 3.94Å; Y30-E34 HydrophobicContact CG-CB 4.14Å; T31-E34 PolarHBondContact N-OE2 3.17Å; T31-E34 PolarHBondContact O-N 3.49Å; T31-E34 VanDerWaalsContact OG1-CG 3.31Å; T31-E34 WeakPolarHBondContact OG1-CG 3.44Å; T31-E34 PolarHBondContact OG1-N 3.03Å; E34-L37 PolarHBondContact O-N 3.34Å; E34-E38 PolarHBondContact O-N 3.22Å
35G95.7Very high94.6Very high0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-65.1-46.417500000113.8T31 L32 E33 L37 E38 A39 L119T31-G35 PolarHBondContact O-N 3.38Å; L32-G35 PolarHBondContact O-N 3.04Å; E33-G35 VanDerWaalsContact C-N 3.29Å; E33-G35 PolarHBondContact O-N 3.47Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 3.31Å; G35-E38 PolarHBondContact O-N 3.41Å; G35-A39 VanDerWaalsContact O-CB 3.26Å; G35-A39 WeakPolarHBondContact O-CB 3.17Å; G35-A39 PolarHBondContact O-N 2.84Å; G35-L119 VanDerWaalsContact O-CD2 3.25Å; G35-L119 WeakPolarHBondContact O-CD2 3.44Å
36Q95.8Very high94.3Very high65 Ų6551.7 Ų51.730%0.30427%0.266SS..Hα-helixtrans-62.3-40.5175.5-78.4-177.3-40.100111.7L32 E33 A39 S40 I67 G70L32-Q36 WeakPolarHBondContact O-CB 3.18Å; L32-Q36 WeakPolarHBondContact O-CG 3.45Å; L32-Q36 PolarHBondContact O-N 3.49Å; E33-Q36 PolarHBondContact O-N 3.45Å; Q36-A39 PolarHBondContact O-N 3.04Å; Q36-S40 PolarHBondContact O-N 3.17Å; Q36-I67 HydrophobicContact CG-CG2 4.45Å; Q36-I67 WeakPolarHBondContact CG-O 3.38Å; Q36-G70 VanDerWaalsContact NE2-CA 3.31Å
37L95.1Very high94.1Very high102 Ų10257.1 Ų57.153%0.53430%0.295SS..Hα-helixtrans-60.7-47175.1-177.765.6000111.3E33 E34 G35 S40E33-L37 WeakPolarHBondContact O-CB 3.34Å; E33-L37 PolarHBondContact O-N 2.91Å; E34-L37 PolarHBondContact O-N 3.34Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 3.31Å; L37-S40 PolarHBondContact O-N 3.45Å; L37-S40 PolarHBondContact O-OG 3.39Å
38E96.7Very high94.1Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-66.5-41.1177.1-179.258-147.600112K8 T9 Y30 E34 G35 S40 R41 V114 A115 L119K8-E38 WeakPolarHBondContact CA-OE2 3.33Å; T9-E38 PolarHBondContact N-OE2 2.89Å; Y30-E38 HydrophobicContact CE2-CB 4.11Å; Y30-E38 HydrophobicContact CE2-CG 4.08Å; E34-E38 PolarHBondContact O-N 3.22Å; G35-E38 PolarHBondContact O-N 3.41Å; E38-S40 VanDerWaalsContact C-N 3.3Å; E38-S40 PolarHBondContact O-N 2.64Å; E38-R41 VanDerWaalsContact O-CB 3.26Å; E38-R41 WeakPolarHBondContact O-CB 3.38Å; E38-R41 PolarHBondContact O-N 3.23Å; E38-R41 VanDerWaalsContact O-N 3.08Å; E38-R41 IonicContact OE1-CZ 3.73Å; E38-R41 IonicContact OE1-NH1 3.85Å; E38-R41 PolarHBondContact OE1-NH1 3.39Å; E38-R41 VanDerWaalsContact OE2-CD 3.23Å; E38-R41 WeakPolarHBondContact OE2-CD 3.47Å; E38-R41 IonicContact OE2-NH1 2.87Å; E38-R41 PolarHBondContact OE2-NH1 3.08Å; E38-V114 WeakPolarHBondContact OE1-CA 3.43Å; E38-A115 HydrophobicContact CG-CB 3.92Å; E38-A115 PolarHBondContact OE1-N 2.91Å; E38-L119 HydrophobicContact CB-CD2 4.06Å; E38-L119 HydrophobicContact CG-CD1 4.14Å; E38-L119 HydrophobicContact CG-CD2 4.13Å; E38-L119 HydrophobicContact CG-CG 4.09Å
39A96.4Very high94.2Very high0 Ų053.8 Ų53.80%028%0.279CS..Hα-helixtrans-59.8-38.4177.800000112.4G35 Q36 R41 C42 I64 I67 E68 L119G35-A39 VanDerWaalsContact O-CB 3.26Å; G35-A39 WeakPolarHBondContact O-CB 3.17Å; G35-A39 PolarHBondContact O-N 2.84Å; Q36-A39 PolarHBondContact O-N 3.04Å; A39-R41 PolarHBondContact O-N 3.48Å; A39-R41 VanDerWaalsContact O-N 3.08Å; A39-C42 WeakPolarHBondContact O-CB 3.39Å; A39-C42 PolarHBondContact O-N 3.29Å; A39-I64 HydrophobicContact CB-CG2 3.8Å; A39-I67 HydrophobicContact CB-CB 4.08Å; A39-I67 HydrophobicContact CB-CG2 3.86Å; A39-E68 HydrophobicContact CB-CB 4.07Å; A39-L119 HydrophobicContact CB-CD1 4.33Å; A39-L119 HydrophobicContact CB-CD2 4.31Å
40S95.2Very high94.4Very high44 Ų4454.1 Ų54.131%0.30828%0.28SS..THydrogen-bonded Turntrans-61.7-16.4176.980.90000114.3Q36 L37 E38 C42Q36-S40 PolarHBondContact O-N 3.17Å; L37-S40 PolarHBondContact O-N 3.45Å; L37-S40 PolarHBondContact O-OG 3.39Å; E38-S40 VanDerWaalsContact C-N 3.3Å; E38-S40 PolarHBondContact O-N 2.64Å; S40-C42 VanDerWaalsContact C-N 3.27Å
41R95.1Very high94.3Very high2 Ų255.2 Ų55.21%0.00829%0.287CS..THydrogen-bonded Turntrans-72.5-22.5174-60.3176.768.4-127.80111.8R4 S5 Y6 T7 E38 A39 L43 L105 E112 P113 V114R4-R41 WeakPolarHBondContact CD-O 3.37Å; S5-R41 PolarHBondContact O-NE 3.42Å; Y6-R41 PolarHBondContact O-NH2 3.24Å; T7-R41 PolarHBondContact O-NE 3.46Å; E38-R41 VanDerWaalsContact O-CB 3.26Å; E38-R41 WeakPolarHBondContact O-CB 3.38Å; E38-R41 PolarHBondContact O-N 3.23Å; E38-R41 VanDerWaalsContact O-N 3.08Å; E38-R41 IonicContact OE1-CZ 3.73Å; E38-R41 IonicContact OE1-NH1 3.85Å; E38-R41 PolarHBondContact OE1-NH1 3.39Å; E38-R41 VanDerWaalsContact OE2-CD 3.23Å; E38-R41 WeakPolarHBondContact OE2-CD 3.47Å; E38-R41 IonicContact OE2-NH1 2.87Å; E38-R41 PolarHBondContact OE2-NH1 3.08Å; A39-R41 PolarHBondContact O-N 3.48Å; A39-R41 VanDerWaalsContact O-N 3.08Å; R41-L43 PolarHBondContact O-N 3.48Å; R41-L105 HydrophobicContact CB-CD2 3.93Å; R41-L105 WeakPolarHBondContact O-CD2 3.41Å; R41-E112 PolarHBondContact NH2-O 3.28Å; R41-P113 PolarHBondContact NH1-O 3.34Å; R41-V114 HydrophobicContact CB-CG2 4.34Å
42C95.3Very high94.1Very high17 Ų1757.3 Ų57.312%0.11530%0.299CS..  trans-59.2134.8-178.4-172.70000112.2A39 S40 Q44 I64 V114A39-C42 WeakPolarHBondContact O-CB 3.39Å; A39-C42 PolarHBondContact O-N 3.29Å; S40-C42 VanDerWaalsContact C-N 3.27Å; C42-Q44 VanDerWaalsContact C-N 3.32Å; C42-Q44 PolarHBondContact SG-N 3.22Å; C42-Q44 PolarHBondContact SG-NE2 3.01Å; C42-I64 HydrophobicContact CB-CG2 3.62Å; C42-V114 HydrophobicContact CB-CG2 4.32Å
43L93.5Very high94.1Very high71 Ų7154.3 Ų54.337%0.37229%0.288SS..  trans-85.3-5.4-179.8-63.8179.9000113.3R41 C45 R104 L105R41-L43 PolarHBondContact O-N 3.48Å; L43-C45 VanDerWaalsContact C-N 3.28Å; L43-C45 PolarHBondContact O-N 3.47Å; L43-R104 HydrophobicContact CD1-CB 4.34Å; L43-L105 HydrophobicContact CD1-CB 4.17Å; L43-L105 HydrophobicContact CD1-CD1 4.17Å; L43-L105 HydrophobicContact CD2-CD1 4.16Å; L43-L105 HydrophobicContact CG-CB 4.37Å; L43-L105 HydrophobicContact CG-CD1 4.16Å
44Q95.2Very high94.1Very high71 Ų7147.2 Ų47.233%0.33226%0.256SS..  trans48.351.9-174.4-65.5-63.4-3300111.4C42 K46 P61C42-Q44 VanDerWaalsContact C-N 3.32Å; C42-Q44 PolarHBondContact SG-N 3.22Å; C42-Q44 PolarHBondContact SG-NE2 3.01Å; Q44-K46 PolarHBondContact O-N 3.18Å; Q44-P61 PolarHBondContact NE2-O 2.73Å; Q44-P61 PolarHBondContact OE1-O 3.35Å
45C93.8Very high93.9Very high30 Ų3047.4 Ų47.420%0.20326%0.26CS..  trans-60.1125.2-171.8-67.80000111.2L43 N47 A48L43-C45 VanDerWaalsContact C-N 3.28Å; L43-C45 PolarHBondContact O-N 3.47Å; C45-N47 PolarHBondContact O-N 3.17Å; C45-N47 VanDerWaalsContact O-N 3.13Å; C45-A48 WeakPolarHBondContact O-CA 3.44Å; C45-A48 PolarHBondContact O-N 3.4Å
46K87.1Confident93.7Very high205 Ų20547.6 Ų47.689%0.89126%0.262SS*.THydrogen-bonded Turntrans-53.7-36.2178.8-170.9176.8-179.4179.90114.5Q44Q44-K46 PolarHBondContact O-N 3.18Å
47N90Very high93.5Very high118 Ų11849 Ų4963%0.63127%0.269SS*.THydrogen-bonded Turntrans-90.5-5.9178.9-63.68.3000113.4C45 P49 R104C45-N47 PolarHBondContact O-N 3.17Å; C45-N47 VanDerWaalsContact O-N 3.13Å; N47-P49 VanDerWaalsContact O-N 3.16Å; N47-R104 PolarHBondContact ND2-NH2 2.83Å
48A93.3Very high93.4Very high15 Ų1544.3 Ų44.312%0.12424%0.244CC..  trans37.557.5175.300000115.9C45 C50 I51 P61C45-A48 WeakPolarHBondContact O-CA 3.44Å; C45-A48 PolarHBondContact O-N 3.4Å; A48-C50 PolarHBondContact O-N 3.01Å; A48-I51 HydrophobicContact CB-CD1 3.58Å; A48-I51 HydrophobicContact CB-CG1 3.84Å; A48-I51 WeakPolarHBondContact O-CB 3.37Å; A48-I51 PolarHBondContact O-N 3.4Å; A48-P61 HydrophobicContact CB-CG 3.69Å
49P94.3Very high93.3Very high27 Ų2746.5 Ų46.518%0.17526%0.256CS..Hα-helixtrans-60.8-22.4-174.626.8-36000113.5N47 I51 T52 G53 V102 R104N47-P49 VanDerWaalsContact O-N 3.16Å; P49-I51 PolarHBondContact O-N 3.39Å; P49-T52 PolarHBondContact O-N 3.35Å; P49-T52 PolarHBondContact O-OG1 2.9Å; P49-G53 PolarHBondContact O-N 3.25Å; P49-V102 HydrophobicContact CB-CB 4.35Å; P49-V102 HydrophobicContact CB-CG2 4.42Å; P49-V102 WeakPolarHBondContact CG-O 3.38Å; P49-V102 VanDerWaalsContact O-CG2 3.25Å; P49-V102 WeakPolarHBondContact O-CG2 3.48Å; P49-R104 HydrophobicContact CG-CG 4.08Å
50C95.8Very high93.3Very high15 Ų1546.7 Ų46.710%0.10126%0.257CS..Hα-helixtrans-59.3-32.3173.7490000113.1A48 G53 C54 I60 C99 I116A48-C50 PolarHBondContact O-N 3.01Å; C50-G53 PolarHBondContact O-N 2.91Å; C50-C54 PolarHBondContact O-N 3.11Å; C50-I60 HydrophobicContact CB-CB 4.27Å; C50-I60 HydrophobicContact CB-CD1 3.81Å; C50-I60 HydrophobicContact CB-CG2 4.15Å; C50-I60 VanDerWaalsContact O-CD1 3.31Å; C50-I60 WeakPolarHBondContact O-CD1 3.47Å; C50-C99 HydrophobicContact CB-CB 4.29Å; C50-I116 HydrophobicContact CB-CD1 4.18Å
51I95Very high93.4Very high40 Ų4045.1 Ų45.121%0.20525%0.246CC..Hα-helixtrans-63.7-53.2177.5-57.5-177.5000109.3A48 P49 G53 C54 M57 I58A48-I51 HydrophobicContact CB-CD1 3.58Å; A48-I51 HydrophobicContact CB-CG1 3.84Å; A48-I51 WeakPolarHBondContact O-CB 3.37Å; A48-I51 PolarHBondContact O-N 3.4Å; P49-I51 PolarHBondContact O-N 3.39Å; I51-G53 PolarHBondContact O-N 2.75Å; I51-C54 WeakPolarHBondContact O-CB 3.4Å; I51-C54 PolarHBondContact O-N 2.96Å; I51-C54 VanDerWaalsContact O-N 3.11Å; I51-M57 HydrophobicContact CG2-CB 4.43Å; I51-M57 HydrophobicContact CG2-CE 4.14Å; I51-M57 VanDerWaalsContact O-SD 3.37Å; I51-I58 WeakPolarHBondContact CG1-O 3.33Å
52T90.4Very high93.5Very high106 Ų10645.8 Ų45.865%0.6525%0.254SS*.Hα-helixtrans-67-20.2177.149.30000113.9P49 C54 M57P49-T52 PolarHBondContact O-N 3.35Å; P49-T52 PolarHBondContact O-OG1 2.9Å; T52-C54 VanDerWaalsContact C-N 3.3Å; T52-M57 HydrophobicContact CG2-CE 4.23Å
53G92.6Very high93.6Very high19 Ų1945 Ų4520%0.19625%0.248CC..THydrogen-bonded Turntrans-82.8-6.6175.100000113.8P49 C50 I51 Q98P49-G53 PolarHBondContact O-N 3.25Å; C50-G53 PolarHBondContact O-N 2.91Å; I51-G53 PolarHBondContact O-N 2.75Å; G53-Q98 CarbonylContact O-C 3.57Å; G53-Q98 WeakPolarHBondContact O-CB 3.41Å
54C94Very high93.8Very high8 Ų841.7 Ų41.75%0.05423%0.231CC..SBendtrans-102.8122178.9-177.50000109.4C50 I51 T52 V56 M57 I60C50-C54 PolarHBondContact O-N 3.11Å; I51-C54 WeakPolarHBondContact O-CB 3.4Å; I51-C54 PolarHBondContact O-N 2.96Å; I51-C54 VanDerWaalsContact O-N 3.11Å; T52-C54 VanDerWaalsContact C-N 3.3Å; C54-V56 PolarHBondContact O-N 3.29Å; C54-M57 PolarHBondContact O-N 3.29Å; C54-I60 HydrophobicContact CB-CD1 4.18Å
55P91Very high93.9Very high40 Ų4042.9 Ų42.926%0.2624%0.235SC..THydrogen-bonded Turntrans-57.8-21.9180-27.835.4000115.4I425 L426P55-I425 HydrophobicContact CB-CG1 4.2Å; P55-I425 HydrophobicContact CG-CG1 3.96Å; P55-I425 HydrophobicContact CG-CG2 4.41Å; P55-L426 HydrophobicContact CB-CD2 4.25Å; P55-L426 HydrophobicContact CG-CD2 3.85Å
56V91.9Very high94Very high5 Ų541.6 Ų41.63%0.0323%0.226CC..THydrogen-bonded Turntrans-105.69.8176-53.40000113.3C54 I58 I425 M428 K432C54-V56 PolarHBondContact O-N 3.29Å; V56-I58 VanDerWaalsContact C-N 3.35Å; V56-I58 HydrophobicContact CG2-CD1 3.81Å; V56-I58 HydrophobicContact CG2-CG1 3.64Å; V56-I58 PolarHBondContact O-N 3.46Å; V56-I425 HydrophobicContact CB-CD1 4.44Å; V56-I425 HydrophobicContact CG1-CD1 3.82Å; V56-I425 HydrophobicContact CG2-CD1 3.83Å; V56-M428 HydrophobicContact CG1-CB 3.71Å; V56-K432 HydrophobicContact CB-CG 4.15Å; V56-K432 HydrophobicContact CG1-CG 4.07Å
57M90.9Very high94.5Very high93 Ų9331.8 Ų31.846%0.45818%0.184SC..  trans56.938.3167.4-58.8-69.4-72.500115.2I51 T52 C54 Y82I51-M57 HydrophobicContact CG2-CB 4.43Å; I51-M57 HydrophobicContact CG2-CE 4.14Å; I51-M57 VanDerWaalsContact O-SD 3.37Å; T52-M57 HydrophobicContact CG2-CE 4.23Å; C54-M57 PolarHBondContact O-N 3.29Å; M57-Y82 WeakPolarHBondContact O-CD1 3.33Å
58I93Very high94.8Very high4 Ų430.1 Ų30.12%0.02117%0.172CC..  trans-59.8138.6179.5-60172.9000110.9I51 V56 I60 F63 L79 T83I51-I58 WeakPolarHBondContact CG1-O 3.33Å; V56-I58 VanDerWaalsContact C-N 3.35Å; V56-I58 HydrophobicContact CG2-CD1 3.81Å; V56-I58 HydrophobicContact CG2-CG1 3.64Å; V56-I58 PolarHBondContact O-N 3.46Å; I58-I60 HydrophobicContact CB-CG1 4.05Å; I58-I60 HydrophobicContact CG2-CG1 4.03Å; I58-I60 PolarHBondContact O-N 2.67Å; I58-F63 HydrophobicContact CG2-CD1 4.03Å; I58-F63 HydrophobicContact CG2-CE1 4.19Å; I58-L79 HydrophobicContact CG2-CD2 3.61Å; I58-T83 HydrophobicContact CD1-CG2 4.07Å
59D95.4Very high94.9Very high46 Ų4635.1 Ų35.125%0.24619%0.193CC..  trans-70.273.8166.4-177.310.1000111.4G62 F63 I78 Y82D59-G62 PolarHBondContact O-N 3.44Å; D59-G62 PolarHBondContact OD1-N 2.88Å; D59-F63 PolarHBondContact O-N 2.87Å; D59-F63 VanDerWaalsContact O-N 3.12Å; D59-I78 HydrophobicContact CB-CG2 3.9Å; D59-Y82 HydrophobicContact CB-CD2 4.26Å; D59-Y82 HydrophobicContact CB-CE2 3.49Å; D59-Y82 VanDerWaalsContact CB-CE2 3.49Å
60I96.9Very high94.9Very high4 Ų435.5 Ų35.52%0.02120%0.201CC..Hα-helixtrans-60.1-47.9-176.7-68.3161.9000112.3C50 C54 I58 G62 F63 I64 C99 I116C50-I60 HydrophobicContact CB-CB 4.27Å; C50-I60 HydrophobicContact CB-CD1 3.81Å; C50-I60 HydrophobicContact CB-CG2 4.15Å; C50-I60 VanDerWaalsContact O-CD1 3.31Å; C50-I60 WeakPolarHBondContact O-CD1 3.47Å; C54-I60 HydrophobicContact CB-CD1 4.18Å; I58-I60 HydrophobicContact CB-CG1 4.05Å; I58-I60 HydrophobicContact CG2-CG1 4.03Å; I58-I60 PolarHBondContact O-N 2.67Å; I60-G62 VanDerWaalsContact C-N 3.27Å; I60-G62 PolarHBondContact O-N 3.28Å; I60-F63 HydrophobicContact CB-CE1 4.06Å; I60-F63 HydrophobicContact CG1-CE1 3.95Å; I60-F63 HydrophobicContact CG2-CE1 4.08Å; I60-F63 WeakPolarHBondContact O-CD1 3.4Å; I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.38Å; I60-I64 WeakPolarHBondContact O-CB 3.48Å; I60-I64 WeakPolarHBondContact O-CG1 3.46Å; I60-I64 PolarHBondContact O-N 2.92Å; I60-I64 VanDerWaalsContact O-N 3.16Å; I60-C99 HydrophobicContact CD1-CB 3.6Å; I60-I116 HydrophobicContact CD1-CG2 4.16Å; I60-I116 HydrophobicContact CG1-CG2 4.16Å; I60-I116 HydrophobicContact CG2-CD1 3.92Å; I60-I116 HydrophobicContact CG2-CG1 3.94Å; I60-I116 HydrophobicContact CG2-CG2 3.83Å
61P96.8Very high94.9Very high12 Ų1237.9 Ų37.98%0.07821%0.213CC..Hα-helixtrans-60.4-38.6176.6-2133.1000112.6Q44 A48 K65Q44-P61 PolarHBondContact NE2-O 2.73Å; Q44-P61 PolarHBondContact OE1-O 3.35Å; A48-P61 HydrophobicContact CB-CG 3.69Å; P61-K65 WeakPolarHBondContact O-CB 3.44Å; P61-K65 PolarHBondContact O-N 3.48Å
62G96.5Very high95Very high16 Ų1636.3 Ų36.317%0.16521%0.205CC..Hα-helixtrans-61.2-55.4-179.900000112.8D59 I60 I64 K65 A66D59-G62 PolarHBondContact O-N 3.44Å; D59-G62 PolarHBondContact OD1-N 2.88Å; I60-G62 VanDerWaalsContact C-N 3.27Å; I60-G62 PolarHBondContact O-N 3.28Å; G62-I64 VanDerWaalsContact C-N 3.34Å; G62-I64 PolarHBondContact O-N 2.93Å; G62-K65 WeakPolarHBondContact O-CB 3.18Å; G62-K65 PolarHBondContact O-N 3.45Å; G62-A66 PolarHBondContact O-N 3.06Å; G62-A66 VanDerWaalsContact O-N 3.13Å
63F97.5Very high95.2Very high1 Ų134.9 Ų34.90%0.00420%0.197CC..Hα-helixtrans-68.6-34.8-17889.2-101000111.9I58 D59 I60 K65 A66 I67 A75 I78 L79 I116 L119 E120 V123I58-F63 HydrophobicContact CG2-CD1 4.03Å; I58-F63 HydrophobicContact CG2-CE1 4.19Å; D59-F63 PolarHBondContact O-N 2.87Å; D59-F63 VanDerWaalsContact O-N 3.12Å; I60-F63 HydrophobicContact CB-CE1 4.06Å; I60-F63 HydrophobicContact CG1-CE1 3.95Å; I60-F63 HydrophobicContact CG2-CE1 4.08Å; I60-F63 WeakPolarHBondContact O-CD1 3.4Å; F63-K65 VanDerWaalsContact C-N 3.31Å; F63-K65 PolarHBondContact O-N 2.82Å; F63-A66 WeakPolarHBondContact O-CB 3.3Å; F63-A66 PolarHBondContact O-N 3.23Å; F63-I67 HydrophobicContact CD2-CD1 3.76Å; F63-I67 HydrophobicContact CD2-CG1 4.49Å; F63-I67 HydrophobicContact CE2-CD1 3.83Å; F63-I67 WeakPolarHBondContact O-CG1 3.42Å; F63-I67 PolarHBondContact O-N 3.44Å; F63-A75 HydrophobicContact CB-CB 4.47Å; F63-I78 HydrophobicContact CB-CB 4.16Å; F63-I78 HydrophobicContact CB-CG2 3.96Å; F63-L79 HydrophobicContact CB-CD2 4.28Å; F63-L79 HydrophobicContact CB-CG 4.18Å; F63-L79 HydrophobicContact CD1-CD2 3.56Å; F63-L79 HydrophobicContact CD1-CG 4.34Å; F63-L79 HydrophobicContact CD2-CD1 4.5Å; F63-L79 HydrophobicContact CD2-CD2 4.3Å; F63-L79 HydrophobicContact CD2-CG 4.42Å; F63-L79 HydrophobicContact CE1-CD2 3.88Å; F63-L79 HydrophobicContact CG-CD2 3.8Å; F63-L79 HydrophobicContact CG-CG 4.09Å; F63-L79 HydrophobicContact CZ-CD2 4.39Å; F63-I116 HydrophobicContact CE1-CG2 4.48Å; F63-I116 HydrophobicContact CZ-CG2 4.21Å; F63-L119 HydrophobicContact CE2-CB 3.98Å; F63-L119 HydrophobicContact CZ-CB 4.47Å; F63-E120 HydrophobicContact CZ-CB 4.29Å; F63-V123 HydrophobicContact CD2-CG2 4.34Å
64I97.8Very high95.4Very high1 Ų136.5 Ų36.51%0.00520%0.201CC..Hα-helixtrans-64.7-38.7176.3-67.5177.4000111A39 C42 I60 G62 A66 I67 E68 V114 I116 L119A39-I64 HydrophobicContact CB-CG2 3.8Å; C42-I64 HydrophobicContact CB-CG2 3.62Å; I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.38Å; I60-I64 WeakPolarHBondContact O-CB 3.48Å; I60-I64 WeakPolarHBondContact O-CG1 3.46Å; I60-I64 PolarHBondContact O-N 2.92Å; I60-I64 VanDerWaalsContact O-N 3.16Å; G62-I64 VanDerWaalsContact C-N 3.34Å; G62-I64 PolarHBondContact O-N 2.93Å; I64-A66 VanDerWaalsContact C-N 3.32Å; I64-A66 PolarHBondContact O-N 3.32Å; I64-I67 PolarHBondContact O-N 3.09Å; I64-E68 PolarHBondContact O-N 3.29Å; I64-V114 HydrophobicContact CD1-CG1 4.11Å; I64-I116 HydrophobicContact CD1-CG1 4.15Å; I64-L119 HydrophobicContact CD1-CD1 3.88Å; I64-L119 HydrophobicContact CG1-CD1 3.8Å; I64-L119 HydrophobicContact CG2-CD1 4.06Å
65K97.6Very high95.6Very high96 Ų9636.1 Ų36.142%0.41720%0.199SC..Hα-helixtrans-62.7-41175-167.5179.4177.9-1590111.5P61 G62 F63 I67 E68 E69P61-K65 WeakPolarHBondContact O-CB 3.44Å; P61-K65 PolarHBondContact O-N 3.48Å; G62-K65 WeakPolarHBondContact O-CB 3.18Å; G62-K65 PolarHBondContact O-N 3.45Å; F63-K65 VanDerWaalsContact C-N 3.31Å; F63-K65 PolarHBondContact O-N 2.82Å; K65-I67 VanDerWaalsContact C-N 3.33Å; K65-I67 PolarHBondContact O-N 3.29Å; K65-E68 WeakPolarHBondContact O-CB 3.44Å; K65-E68 PolarHBondContact O-N 2.91Å; K65-E69 WeakPolarHBondContact CE-OE1 3.37Å; K65-E69 IonicContact NZ-OE1 3.65Å; K65-E69 WeakPolarHBondContact O-CG 3.3Å; K65-E69 PolarHBondContact O-N 3.43Å
66A97.4Very high95.8Very high2 Ų237.2 Ų37.22%0.01720%0.198CC..Hα-helixtrans-63.5-37.6176.400000112.2G62 F63 I64 E69 G70 N71 L74 A75 I78G62-A66 PolarHBondContact O-N 3.06Å; G62-A66 VanDerWaalsContact O-N 3.13Å; F63-A66 WeakPolarHBondContact O-CB 3.3Å; F63-A66 PolarHBondContact O-N 3.23Å; I64-A66 VanDerWaalsContact C-N 3.32Å; I64-A66 PolarHBondContact O-N 3.32Å; A66-E69 PolarHBondContact O-N 3.25Å; A66-G70 PolarHBondContact O-N 3.45Å; A66-G70 VanDerWaalsContact O-N 3.16Å; A66-N71 PolarHBondContact O-N 2.92Å; A66-L74 HydrophobicContact CB-CB 4.23Å; A66-L74 HydrophobicContact CB-CD2 4.14Å; A66-L74 HydrophobicContact CB-CG 4.05Å; A66-A75 HydrophobicContact CB-CB 3.78Å; A66-I78 HydrophobicContact CB-CD1 4.45Å
67I97.3Very high95.9Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-62.5-48.9171.4-61.7167.6000110.6Q36 A39 F63 I64 K65 E69 G70 M72 A75 L119 L122 V123Q36-I67 HydrophobicContact CG-CG2 4.45Å; Q36-I67 WeakPolarHBondContact CG-O 3.38Å; A39-I67 HydrophobicContact CB-CB 4.08Å; A39-I67 HydrophobicContact CB-CG2 3.86Å; F63-I67 HydrophobicContact CD2-CD1 3.76Å; F63-I67 HydrophobicContact CD2-CG1 4.49Å; F63-I67 HydrophobicContact CE2-CD1 3.83Å; F63-I67 WeakPolarHBondContact O-CG1 3.42Å; F63-I67 PolarHBondContact O-N 3.44Å; I64-I67 PolarHBondContact O-N 3.09Å; K65-I67 VanDerWaalsContact C-N 3.33Å; K65-I67 PolarHBondContact O-N 3.29Å; I67-E69 PolarHBondContact O-N 3.07Å; I67-G70 WeakPolarHBondContact O-CA 3.25Å; I67-G70 PolarHBondContact O-N 3.33Å; I67-M72 HydrophobicContact CG1-SD 4.4Å; I67-A75 HydrophobicContact CG1-CB 4.08Å; I67-L119 HydrophobicContact CD1-CB 3.87Å; I67-L119 HydrophobicContact CD1-CD2 4.11Å; I67-L119 HydrophobicContact CD1-CG 4.46Å; I67-L119 HydrophobicContact CG2-CD2 4.46Å; I67-L122 HydrophobicContact CG2-CD2 4.3Å; I67-V123 HydrophobicContact CD1-CG2 3.47Å; I67-V123 VanDerWaalsContact CD1-CG2 3.47Å; I67-V123 HydrophobicContact CG1-CG2 3.65Å
68E95.7Very high96.1Very high83 Ų8338 Ų3839%0.38820%0.201SC..Hα-helixtrans-55-38.6178.5-174.8-177.7-168.800111.7A39 I64 K65 G70A39-E68 HydrophobicContact CB-CB 4.07Å; I64-E68 PolarHBondContact O-N 3.29Å; K65-E68 WeakPolarHBondContact O-CB 3.44Å; K65-E68 PolarHBondContact O-N 2.91Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 3.31Å
69E95.7Very high96.1Very high120 Ų12037.8 Ų37.856%0.56120%0.2SC*.THydrogen-bonded Turntrans-80.1-4.4176.6-67.6173.2175.100113.8K65 A66 I67 N71K65-E69 WeakPolarHBondContact CE-OE1 3.37Å; K65-E69 IonicContact NZ-OE1 3.65Å; K65-E69 WeakPolarHBondContact O-CG 3.3Å; K65-E69 PolarHBondContact O-N 3.43Å; A66-E69 PolarHBondContact O-N 3.25Å; I67-E69 PolarHBondContact O-N 3.07Å; E69-N71 VanDerWaalsContact C-N 3.32Å
70G93.7Very high95.9Very high34 Ų3436.7 Ų36.735%0.35120%0.199SC..THydrogen-bonded Turntrans75.913.9-178.300000114.8Q36 A66 I67 E68 M72Q36-G70 VanDerWaalsContact NE2-CA 3.31Å; A66-G70 PolarHBondContact O-N 3.45Å; A66-G70 VanDerWaalsContact O-N 3.16Å; I67-G70 WeakPolarHBondContact O-CA 3.25Å; I67-G70 PolarHBondContact O-N 3.33Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 3.31Å; G70-M72 PolarHBondContact O-N 2.91Å
71N96.9Very high95.5Very high65 Ų6543 Ų4335%0.34822%0.222SC..  trans-95.776.6-178.5-167.6-16.4000111.4A66 E69 P73 L74 A75A66-N71 PolarHBondContact O-N 2.92Å; E69-N71 VanDerWaalsContact C-N 3.32Å; N71-P73 WeakPolarHBondContact OD1-CD 3.39Å; N71-L74 HydrophobicContact CB-CB 4.14Å; N71-L74 WeakPolarHBondContact ND2-CB 3.2Å; N71-L74 PolarHBondContact O-N 3.37Å; N71-L74 VanDerWaalsContact OD1-CB 3.28Å; N71-L74 WeakPolarHBondContact OD1-CB 3.31Å; N71-L74 PolarHBondContact OD1-N 3Å; N71-L74 VanDerWaalsContact OD1-N 3.13Å; N71-A75 PolarHBondContact O-N 3.32Å
72M96Very high95.2Very high8 Ų846.1 Ų46.14%0.03923%0.233CC..Hα-helixtrans-60.5-41.4179.3-61.6-57.5-68.700114.3L32 I67 G70 L74 A75 Y76 L122 V123 W126L32-M72 HydrophobicContact CD1-CG 4.01Å; L32-M72 HydrophobicContact CD1-SD 3.68Å; I67-M72 HydrophobicContact CG1-SD 4.4Å; G70-M72 PolarHBondContact O-N 2.91Å; M72-L74 VanDerWaalsContact C-N 3.32Å; M72-L74 PolarHBondContact O-N 3.34Å; M72-A75 PolarHBondContact O-N 3.05Å; M72-Y76 PolarHBondContact O-N 3.01Å; M72-L122 HydrophobicContact CE-CG 4.08Å; M72-V123 HydrophobicContact CE-CB 4.23Å; M72-V123 HydrophobicContact CE-CG2 3.85Å; M72-W126 HydrophobicContact CB-CD2 3.52Å; M72-W126 HydrophobicContact CB-CE3 3.84Å; M72-W126 HydrophobicContact CB-CG 4.01Å; M72-W126 HydrophobicContact CB-CH2 4.21Å; M72-W126 HydrophobicContact CB-CZ2 3.89Å; M72-W126 HydrophobicContact CB-CZ3 4.18Å; M72-W126 HydrophobicContact CE-CB 3.72Å; M72-W126 HydrophobicContact CE-CD2 4.35Å; M72-W126 HydrophobicContact CE-CG 3.9Å; M72-W126 HydrophobicContact CG-CD2 4.31Å; M72-W126 HydrophobicContact CG-CG 4.29Å
73P95.6Very high95Very high75 Ų7545.5 Ų45.549%0.48723%0.226SC..Hα-helixtrans-56.5-44.3174.6-24.332000112.8N71 Y76 E77 W126N71-P73 WeakPolarHBondContact OD1-CD 3.39Å; P73-Y76 PolarHBondContact O-N 3.43Å; P73-E77 WeakPolarHBondContact O-CB 3.48Å; P73-E77 PolarHBondContact O-N 2.87Å; P73-W126 HydrophobicContact CB-CH2 3.99Å; P73-W126 HydrophobicContact CG-CH2 3.61Å; P73-W126 HydrophobicContact CG-CZ2 3.91Å
74L96.9Very high94.6Very high54 Ų5445.8 Ų45.828%0.28323%0.228SC..Hα-helixtrans-67-40.2177.5178.962000111.8A66 N71 M72 Y76 E77 I78A66-L74 HydrophobicContact CB-CB 4.23Å; A66-L74 HydrophobicContact CB-CD2 4.14Å; A66-L74 HydrophobicContact CB-CG 4.05Å; N71-L74 HydrophobicContact CB-CB 4.14Å; N71-L74 WeakPolarHBondContact ND2-CB 3.2Å; N71-L74 PolarHBondContact O-N 3.37Å; N71-L74 VanDerWaalsContact OD1-CB 3.28Å; N71-L74 WeakPolarHBondContact OD1-CB 3.31Å; N71-L74 PolarHBondContact OD1-N 3Å; N71-L74 VanDerWaalsContact OD1-N 3.13Å; M72-L74 VanDerWaalsContact C-N 3.32Å; M72-L74 PolarHBondContact O-N 3.34Å; L74-Y76 VanDerWaalsContact C-N 3.3Å; L74-Y76 PolarHBondContact O-N 2.95Å; L74-E77 PolarHBondContact O-N 3.34Å; L74-I78 HydrophobicContact CD1-CD1 4.19Å; L74-I78 HydrophobicContact CD1-CG1 4.29Å; L74-I78 HydrophobicContact CG-CD1 4.02Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.42Å; L74-I78 PolarHBondContact O-N 3.33Å
75A97.1Very high94.4Very high0 Ų045.7 Ų45.70%023%0.227CC..Hα-helixtrans-59.1-44.5176.500000111.2F63 A66 I67 N71 M72 I78 L79 V123F63-A75 HydrophobicContact CB-CB 4.47Å; A66-A75 HydrophobicContact CB-CB 3.78Å; I67-A75 HydrophobicContact CG1-CB 4.08Å; N71-A75 PolarHBondContact O-N 3.32Å; M72-A75 PolarHBondContact O-N 3.05Å; A75-I78 PolarHBondContact O-N 2.94Å; A75-L79 PolarHBondContact O-N 3.36Å; A75-V123 HydrophobicContact CB-CG1 3.95Å; A75-V123 HydrophobicContact CB-CG2 3.81Å
76Y95.4Very high94.3Very high62 Ų6241.3 Ų41.324%0.24321%0.208CC..Hα-helixtrans-67.9-40.8176.9179.8-113.4000112.3M72 P73 L74 I78 L79 G80 P86 V123 A127 R200M72-Y76 PolarHBondContact O-N 3.01Å; P73-Y76 PolarHBondContact O-N 3.43Å; L74-Y76 VanDerWaalsContact C-N 3.3Å; L74-Y76 PolarHBondContact O-N 2.95Å; Y76-I78 VanDerWaalsContact C-N 3.29Å; Y76-I78 PolarHBondContact O-N 3.14Å; Y76-L79 PolarHBondContact O-N 3.31Å; Y76-G80 PolarHBondContact O-N 3.36Å; Y76-P86 HydrophobicContact CE2-CG 4.36Å; Y76-V123 HydrophobicContact CD2-CG1 4.42Å; Y76-A127 HydrophobicContact CD1-CB 4.15Å; Y76-A127 HydrophobicContact CD2-CB 3.3Å; Y76-A127 HydrophobicContact CE1-CB 4.23Å; Y76-A127 HydrophobicContact CE2-CB 3.39Å; Y76-A127 HydrophobicContact CG-CB 3.7Å; Y76-R200 PolarHBondContact OH-NH1 3.32Å
77E93.4Very high94.1Very high102 Ų10241.2 Ų41.248%0.47721%0.208SC..Hα-helixtrans-58.2-43.2174.7-167.2-160.5142.400111.2P73 L74 G80 R81P73-E77 WeakPolarHBondContact O-CB 3.48Å; P73-E77 PolarHBondContact O-N 2.87Å; L74-E77 PolarHBondContact O-N 3.34Å; E77-G80 PolarHBondContact O-N 3.04Å; E77-R81 WeakPolarHBondContact O-CG 3.48Å; E77-R81 PolarHBondContact O-N 3.47Å; E77-R81 IonicContact OE1-CZ 3.86Å; E77-R81 IonicContact OE1-NE 3.95Å; E77-R81 IonicContact OE1-NH2 3.06Å; E77-R81 PolarHBondContact OE1-NH2 2.86Å
78I95Very high94Very high13 Ų1341.2 Ų41.27%0.06721%0.208CC..Hα-helixtrans-62.9-49.5176.8-67.1166.5000110.5D59 F63 A66 L74 A75 Y76 G80 R81 Y82D59-I78 HydrophobicContact CB-CG2 3.9Å; F63-I78 HydrophobicContact CB-CB 4.16Å; F63-I78 HydrophobicContact CB-CG2 3.96Å; A66-I78 HydrophobicContact CB-CD1 4.45Å; L74-I78 HydrophobicContact CD1-CD1 4.19Å; L74-I78 HydrophobicContact CD1-CG1 4.29Å; L74-I78 HydrophobicContact CG-CD1 4.02Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.42Å; L74-I78 PolarHBondContact O-N 3.33Å; A75-I78 PolarHBondContact O-N 2.94Å; Y76-I78 VanDerWaalsContact C-N 3.29Å; Y76-I78 PolarHBondContact O-N 3.14Å; I78-G80 VanDerWaalsContact C-N 3.34Å; I78-G80 PolarHBondContact O-N 3.09Å; I78-R81 WeakPolarHBondContact O-CB 2.98Å; I78-R81 PolarHBondContact O-N 3.27Å; I78-Y82 HydrophobicContact CG2-CE2 4.42Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å
79L93.7Very high93.9Very high0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-58.2-46.2176.5-72.5178.9000111.6I58 F63 A75 Y76 R81 Y82 T83 P86 E120 V123I58-L79 HydrophobicContact CG2-CD2 3.61Å; F63-L79 HydrophobicContact CB-CD2 4.28Å; F63-L79 HydrophobicContact CB-CG 4.18Å; F63-L79 HydrophobicContact CD1-CD2 3.56Å; F63-L79 HydrophobicContact CD1-CG 4.34Å; F63-L79 HydrophobicContact CD2-CD1 4.5Å; F63-L79 HydrophobicContact CD2-CD2 4.3Å; F63-L79 HydrophobicContact CD2-CG 4.42Å; F63-L79 HydrophobicContact CE1-CD2 3.88Å; F63-L79 HydrophobicContact CG-CD2 3.8Å; F63-L79 HydrophobicContact CG-CG 4.09Å; F63-L79 HydrophobicContact CZ-CD2 4.39Å; A75-L79 PolarHBondContact O-N 3.36Å; Y76-L79 PolarHBondContact O-N 3.31Å; L79-R81 PolarHBondContact O-N 3.47Å; L79-Y82 PolarHBondContact O-N 3.15Å; L79-T83 HydrophobicContact CB-CG2 4.27Å; L79-T83 WeakPolarHBondContact O-CG2 3.25Å; L79-T83 PolarHBondContact O-N 2.92Å; L79-P86 HydrophobicContact CD1-CB 4.34Å; L79-E120 HydrophobicContact CD1-CG 4.16Å; L79-E120 HydrophobicContact CD2-CG 4.36Å; L79-V123 HydrophobicContact CD1-CB 3.75Å; L79-V123 HydrophobicContact CD1-CG1 3.62Å; L79-V123 HydrophobicContact CD1-CG2 4.43Å
80G90.4Very high93.8Very high22 Ų2231.9 Ų31.923%0.22717%0.166CC..Hα-helixtrans-63.1-13.5-178.100000114.7Y76 E77 I78 K162Y76-G80 PolarHBondContact O-N 3.36Å; E77-G80 PolarHBondContact O-N 3.04Å; I78-G80 VanDerWaalsContact C-N 3.34Å; I78-G80 PolarHBondContact O-N 3.09Å; G80-K162 PolarHBondContact O-NZ 3.37Å
81R89.8Confident93.8Very high136 Ų13630.9 Ų30.951%0.51315%0.152SC..Hα-helixtrans-74.7-28169.5-67.3167.9-169.8176.32.9112.5E77 I78 L79E77-R81 WeakPolarHBondContact O-CG 3.48Å; E77-R81 PolarHBondContact O-N 3.47Å; E77-R81 IonicContact OE1-CZ 3.86Å; E77-R81 IonicContact OE1-NE 3.95Å; E77-R81 IonicContact OE1-NH2 3.06Å; E77-R81 PolarHBondContact OE1-NH2 2.86Å; I78-R81 WeakPolarHBondContact O-CB 2.98Å; I78-R81 PolarHBondContact O-N 3.27Å; L79-R81 PolarHBondContact O-N 3.47Å
82Y89.8Confident93.6Very high79 Ų7928.3 Ų28.331%0.3114%0.138SC..Hα-helixtrans-119.1-21.3-169.3-56.4-79.1000114.2M57 D59 I78 L79 K432M57-Y82 WeakPolarHBondContact O-CD1 3.33Å; D59-Y82 HydrophobicContact CB-CD2 4.26Å; D59-Y82 HydrophobicContact CB-CE2 3.49Å; D59-Y82 VanDerWaalsContact CB-CE2 3.49Å; I78-Y82 HydrophobicContact CG2-CE2 4.42Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å; L79-Y82 PolarHBondContact O-N 3.15Å; Y82-K432 WeakPolarHBondContact O-CE 3.49Å; Y82-K432 PolarHBondContact O-NZ 3.49Å
83T91.5Very high93.4Very high2 Ų228.1 Ų28.11%0.01214%0.138CC..  trans-135.5144.6178.7-1800000111I58 L79 L85 P86 M428I58-T83 HydrophobicContact CD1-CG2 4.07Å; L79-T83 HydrophobicContact CB-CG2 4.27Å; L79-T83 WeakPolarHBondContact O-CG2 3.25Å; L79-T83 PolarHBondContact O-N 2.92Å; T83-L85 PolarHBondContact OG1-N 2.87Å; T83-P86 HydrophobicContact CG2-CB 3.9Å; T83-P86 HydrophobicContact CG2-CG 4.47Å; T83-M428 WeakPolarHBondContact OG1-CE 3.48Å
84N90.1Very high93.2Very high7 Ų725 Ų254%0.03712%0.118CC..SBendtrans-101.3-5.9174.9-67.8-38000112.5P86 T155 D159 K162 I201N84-P86 VanDerWaalsContact C-CD 3.49Å; N84-T155 PolarHBondContact ND2-O 3.43Å; N84-D159 PolarHBondContact ND2-N 2.9Å; N84-D159 PolarHBondContact ND2-OD1 3.47Å; N84-K162 VanDerWaalsContact OD1-CE 3.27Å; N84-K162 WeakPolarHBondContact OD1-CE 3.39Å; N84-K162 PolarHBondContact OD1-NZ 3.13Å; N84-I201 HydrophobicContact CB-CD1 4.13Å; N84-I201 HydrophobicContact CB-CG1 4.34Å
85L94.6Very high92.9Very high0 Ų022.8 Ų22.80%011%0.106CC..  trans-136.848.5-173.5-56.3171.7000111.4T83 A87 I88 C89 P151 L154 L180 E197 I201 M428T83-L85 PolarHBondContact OG1-N 2.87Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 2.75Å; L85-I88 HydrophobicContact CB-CB 4.17Å; L85-I88 HydrophobicContact CB-CD1 3.77Å; L85-I88 HydrophobicContact CD1-CD1 4.27Å; L85-I88 HydrophobicContact CD2-CD1 3.63Å; L85-I88 HydrophobicContact CG-CD1 4.09Å; L85-I88 PolarHBondContact O-N 3.04Å; L85-C89 PolarHBondContact O-N 3.34Å; L85-C89 PolarHBondContact O-SG 3.45Å; L85-P151 HydrophobicContact CD1-CB 4.46Å; L85-L154 HydrophobicContact CD1-CB 4.29Å; L85-L154 HydrophobicContact CD2-CB 4.49Å; L85-L154 HydrophobicContact CD2-CD1 4.38Å; L85-L180 HydrophobicContact CD1-CD1 4.44Å; L85-E197 HydrophobicContact CD2-CB 4.15Å; L85-I201 HydrophobicContact CD2-CD1 3.71Å; L85-M428 HydrophobicContact CB-CE 3.81Å; L85-M428 HydrophobicContact CB-SD 4.3Å; L85-M428 HydrophobicContact CD1-CE 4.1Å; L85-M428 HydrophobicContact CD1-CG 4.41Å; L85-M428 HydrophobicContact CD1-SD 4.07Å; L85-M428 HydrophobicContact CG-CE 4.23Å
86P94.5Very high92.6Very high3 Ų325.3 Ų25.32%0.01912%0.118CC..Hα-helixtrans-60.6-36.4-174.926.9-35.8000113.1Y76 L79 T83 N84 I88 C89 G90 E120 A124 E197Y76-P86 HydrophobicContact CE2-CG 4.36Å; L79-P86 HydrophobicContact CD1-CB 4.34Å; T83-P86 HydrophobicContact CG2-CB 3.9Å; T83-P86 HydrophobicContact CG2-CG 4.47Å; N84-P86 VanDerWaalsContact C-CD 3.49Å; P86-I88 VanDerWaalsContact C-N 3.27Å; P86-I88 PolarHBondContact O-N 3.36Å; P86-C89 PolarHBondContact O-N 2.87Å; P86-G90 PolarHBondContact O-N 3.45Å; P86-E120 HydrophobicContact CB-CG 4.4Å; P86-A124 HydrophobicContact CB-CB 3.95Å; P86-A124 HydrophobicContact CG-CB 4.19Å; P86-E197 WeakPolarHBondContact CD-OE1 3.25Å; P86-E197 WeakPolarHBondContact CG-OE1 3.47Å
87A94.2Very high92.3Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-68.4-29.1-179.800000112.5L85 R91 A124 L128 I193 E197L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 2.75Å; A87-R91 VanDerWaalsContact O-CD 3.27Å; A87-R91 WeakPolarHBondContact O-CD 3.35Å; A87-R91 WeakPolarHBondContact O-CG 3.42Å; A87-R91 PolarHBondContact O-NH1 2.9Å; A87-A124 HydrophobicContact CB-CB 3.69Å; A87-A124 VanDerWaalsContact N-CB 3.32Å; A87-L128 HydrophobicContact CB-CD1 3.79Å; A87-I193 HydrophobicContact CB-CG2 3.51Å; A87-E197 WeakPolarHBondContact CA-OE1 3.44Å; A87-E197 HydrophobicContact CB-CG 3.91Å; A87-E197 WeakPolarHBondContact CB-OE1 3.28Å; A87-E197 PolarHBondContact N-OE1 3.45Å
88I95.1Very high92.3Very high0 Ų023.5 Ų23.50%011%0.11CC..Hα-helixtrans-75.8-47.6173-68147.7000109.4L85 P86 G90 R91 V92 L180 L189 E197 V424L85-I88 HydrophobicContact CB-CB 4.17Å; L85-I88 HydrophobicContact CB-CD1 3.77Å; L85-I88 HydrophobicContact CD1-CD1 4.27Å; L85-I88 HydrophobicContact CD2-CD1 3.63Å; L85-I88 HydrophobicContact CG-CD1 4.09Å; L85-I88 PolarHBondContact O-N 3.04Å; P86-I88 VanDerWaalsContact C-N 3.27Å; P86-I88 PolarHBondContact O-N 3.36Å; I88-G90 VanDerWaalsContact C-N 3.32Å; I88-G90 PolarHBondContact O-N 2.7Å; I88-R91 PolarHBondContact O-N 2.92Å; I88-V92 HydrophobicContact CG2-CG2 3.76Å; I88-V92 WeakPolarHBondContact O-CG2 3.37Å; I88-V92 PolarHBondContact O-N 3.34Å; I88-L180 HydrophobicContact CD1-CD1 3.74Å; I88-L180 HydrophobicContact CG1-CD1 4.46Å; I88-L180 HydrophobicContact CG2-CD1 4.36Å; I88-L180 HydrophobicContact CG2-CD2 3.7Å; I88-L189 HydrophobicContact CB-CD1 4.44Å; I88-L189 HydrophobicContact CG1-CD1 3.92Å; I88-L189 HydrophobicContact CG1-CD2 4.31Å; I88-L189 HydrophobicContact CG2-CD2 4.25Å; I88-E197 HydrophobicContact CD1-CB 4.13Å; I88-E197 HydrophobicContact CD1-CG 4.22Å; I88-V424 HydrophobicContact CG2-CG1 4.11Å
89C93.1Very high92.3Very high0 Ų023.3 Ų23.30%011%0.109CC..Hα-helixtrans-58.9-42-178.7-69.10000112.7L85 P86 R91 C93 Q95 E120 M428L85-C89 PolarHBondContact O-N 3.34Å; L85-C89 PolarHBondContact O-SG 3.45Å; P86-C89 PolarHBondContact O-N 2.87Å; C89-R91 PolarHBondContact O-N 3.48Å; C89-R91 VanDerWaalsContact O-N 3.13Å; C89-C93 WeakPolarHBondContact CA-SG 3.44Å; C89-C93 VanDerWaalsContact O-CB 3.29Å; C89-C93 WeakPolarHBondContact O-CB 3.39Å; C89-C93 PolarHBondContact O-N 3.4Å; C89-C93 PolarHBondContact O-SG 3.14Å; C89-Q95 PolarHBondContact O-NE2 2.79Å; C89-E120 VanDerWaalsContact CB-OE1 3.31Å; C89-E120 WeakPolarHBondContact CB-OE1 3.36Å; C89-M428 VanDerWaalsContact SG-CE 3.55Å; C89-M428 PolarHBondContact SG-SD 3.01Å
90G93.2Very high92.4Very high8 Ų823.9 Ų23.98%0.08211%0.112CC..Hα-helixtrans-63.5-14.417600000114.7P86 I88 G117P86-G90 PolarHBondContact O-N 3.45Å; I88-G90 VanDerWaalsContact C-N 3.32Å; I88-G90 PolarHBondContact O-N 2.7Å; G90-G117 WeakPolarHBondContact CA-O 3.27Å
91R93.2Very high92.5Very high13 Ų1328.2 Ų28.25%0.04913%0.128CC..Hα-helixtrans-105.2-41.7-179.7-71.4169.5169.980.84.7113.6E25 A87 I88 C89 D125 L189 R321E25-R91 IonicContact OE1-CZ 3.98Å; E25-R91 IonicContact OE1-NE 3.39Å; E25-R91 PolarHBondContact OE1-NE 3.18Å; E25-R91 IonicContact OE1-NH2 3.1Å; E25-R91 PolarHBondContact OE1-NH2 2.87Å; E25-R91 IonicContact OE2-NH2 2.83Å; A87-R91 VanDerWaalsContact O-CD 3.27Å; A87-R91 WeakPolarHBondContact O-CD 3.35Å; A87-R91 WeakPolarHBondContact O-CG 3.42Å; A87-R91 PolarHBondContact O-NH1 2.9Å; I88-R91 PolarHBondContact O-N 2.92Å; C89-R91 PolarHBondContact O-N 3.48Å; C89-R91 VanDerWaalsContact O-N 3.13Å; R91-D125 IonicContact CZ-OD1 2.85Å; R91-D125 VanDerWaalsContact CZ-OD1 3.28Å; R91-D125 IonicContact NH1-OD1 2.62Å; R91-D125 PolarHBondContact NH1-OD1 2.62Å; R91-D125 IonicContact NH2-OD1 3.03Å; R91-D125 PolarHBondContact NH2-OD1 3.3Å; R91-D125 IonicContact NH2-OD2 3.88Å; R91-D125 PolarHBondContact NH2-OD2 2.85Å; R91-L189 HydrophobicContact CB-CD1 4.45Å; R91-R321 PolarHBondContact O-NH1 2.93Å; R91-R321 VanDerWaalsContact O-NH1 3.16Å
92V92.7Very high92.8Very high10 Ų1022.9 Ų22.96%0.06111%0.11CC..Hα-helixtrans-115.8-9.5-165.5-50.50000115.1I88 I184 L189 V424I88-V92 HydrophobicContact CG2-CG2 3.76Å; I88-V92 WeakPolarHBondContact O-CG2 3.37Å; I88-V92 PolarHBondContact O-N 3.34Å; V92-I184 HydrophobicContact CB-CD1 4.45Å; V92-I184 HydrophobicContact CG1-CD1 4.06Å; V92-I184 HydrophobicContact CG1-CG2 4.36Å; V92-L189 HydrophobicContact CG1-CB 4.19Å; V92-L189 HydrophobicContact CG1-CD2 4.24Å; V92-V424 HydrophobicContact CG2-CB 3.88Å; V92-V424 HydrophobicContact CG2-CG1 3.95Å; V92-V424 HydrophobicContact CG2-CG2 3.86Å
93C92.5Very high93.1Very high5 Ų519.8 Ų19.83%0.03410%0.1CC..  trans-66.7141.1177.3-68.40000111.1C89 Q95 R321C89-C93 WeakPolarHBondContact CA-SG 3.44Å; C89-C93 VanDerWaalsContact O-CB 3.29Å; C89-C93 WeakPolarHBondContact O-CB 3.39Å; C89-C93 PolarHBondContact O-N 3.4Å; C89-C93 PolarHBondContact O-SG 3.14Å; C93-Q95 VanDerWaalsContact C-N 3.29Å; C93-Q95 HydrophobicContact CB-CG 4.11Å; C93-Q95 PolarHBondContact O-N 2.74Å; C93-Q95 VanDerWaalsContact O-N 3.08Å; C93-Q95 PolarHBondContact O-NE2 2.76Å; C93-Q95 PolarHBondContact O-OE1 2.81Å; C93-R321 PolarHBondContact O-NE 3.33Å; C93-R321 VanDerWaalsContact O-NE 3.13Å
94P90.6Very high93.2Very high9 Ų925.7 Ų25.76%0.05812%0.122CC..  trans-83.473.3170.134.2-33.8000109.8E96 K97 R321 T423P94-E96 WeakPolarHBondContact CA-OE2 3.34Å; P94-E96 PolarHBondContact O-N 3.45Å; P94-E96 VanDerWaalsContact O-N 3.16Å; P94-K97 PolarHBondContact O-N 3.45Å; P94-R321 HydrophobicContact CB-CG 4.4Å; P94-T423 HydrophobicContact CG-CG2 3.92Å
95Q91.5Very high93.3Very high8 Ų825.8 Ų25.84%0.03712%0.123CC..G310 helixtrans-61-29-171.2-54.387.51.600112.6C89 C93 K97 Q98 E100C89-Q95 PolarHBondContact O-NE2 2.79Å; C93-Q95 VanDerWaalsContact C-N 3.29Å; C93-Q95 HydrophobicContact CB-CG 4.11Å; C93-Q95 PolarHBondContact O-N 2.74Å; C93-Q95 VanDerWaalsContact O-N 3.08Å; C93-Q95 PolarHBondContact O-NE2 2.76Å; C93-Q95 PolarHBondContact O-OE1 2.81Å; Q95-K97 PolarHBondContact O-N 2.94Å; Q95-Q98 CarbonylContact O-C 3.16Å; Q95-Q98 PolarHBondContact O-N 3.02Å; Q95-E100 HydrophobicContact CB-CB 4.42Å; Q95-E100 HydrophobicContact CB-CG 3.78Å; Q95-E100 WeakPolarHBondContact O-CB 3.49Å; Q95-E100 PolarHBondContact O-N 3.41Å; Q95-E100 VanDerWaalsContact O-N 3.11Å
96E90.7Very high93.2Very high53 Ų5327 Ų2725%0.24814%0.136CC..G310 helixtrans-64.7-18.817775.8-75.6-178.800113.7P94 M101 R321 E322P94-E96 WeakPolarHBondContact CA-OE2 3.34Å; P94-E96 PolarHBondContact O-N 3.45Å; P94-E96 VanDerWaalsContact O-N 3.16Å; E96-M101 WeakPolarHBondContact O-CB 3.19Å; E96-R321 WeakPolarHBondContact OE1-CG 3.48Å; E96-R321 IonicContact OE2-NE 3.85Å; E96-E322 PolarHBondContact OE1-N 3.42Å
97K89.9Confident92.8Very high107 Ų10735.1 Ų35.147%0.46517%0.166SC..G310 helixtrans-103.56.4174.2-62.5-179.6-177.6172.90112.8P94 Q95 M101 P319P94-K97 PolarHBondContact O-N 3.45Å; Q95-K97 PolarHBondContact O-N 2.94Å; K97-M101 WeakPolarHBondContact O-CE 3.3Å; K97-P319 PolarHBondContact NZ-O 2.89Å
98Q92.6Very high92.4Very high19 Ų1937.5 Ų37.59%0.08918%0.183CC..THydrogen-bonded Turntrans-136.2-116-170.2-64.7-172.8-2.600112.2G53 Q95 E100 M101 V102G53-Q98 CarbonylContact O-C 3.57Å; G53-Q98 WeakPolarHBondContact O-CB 3.41Å; Q95-Q98 CarbonylContact O-C 3.16Å; Q95-Q98 PolarHBondContact O-N 3.02Å; Q98-E100 VanDerWaalsContact C-N 3.32Å; Q98-E100 PolarHBondContact O-N 3.33Å; Q98-M101 WeakPolarHBondContact O-CB 3.23Å; Q98-M101 PolarHBondContact O-N 3.39Å; Q98-V102 PolarHBondContact O-N 3.45Å
99C95.1Very high91.8Very high8 Ų848 Ų485%0.05423%0.228CC..THydrogen-bonded Turntrans-64.2-33.2-173.758.40000113C50 I60 V102 C103 I116C50-C99 HydrophobicContact CB-CB 4.29Å; I60-C99 HydrophobicContact CD1-CB 3.6Å; C99-V102 WeakPolarHBondContact O-CG2 3.38Å; C99-C103 PolarHBondContact O-N 3.49Å; C99-I116 HydrophobicContact CB-CD1 3.84Å
100E95.1Very high91.6Very high12 Ų1255.5 Ų55.56%0.05626%0.261CS..THydrogen-bonded Turntrans-76.1-33.7177.4-63.1-174-174.800111.8K8 Q95 Q98 V102 C103 P113 V114 A115 I116 G117K8-E100 IonicContact NZ-OE2 3.51Å; K8-E100 PolarHBondContact NZ-OE2 3.14Å; Q95-E100 HydrophobicContact CB-CB 4.42Å; Q95-E100 HydrophobicContact CB-CG 3.78Å; Q95-E100 WeakPolarHBondContact O-CB 3.49Å; Q95-E100 PolarHBondContact O-N 3.41Å; Q95-E100 VanDerWaalsContact O-N 3.11Å; Q98-E100 VanDerWaalsContact C-N 3.32Å; Q98-E100 PolarHBondContact O-N 3.33Å; E100-V102 VanDerWaalsContact C-N 3.27Å; E100-V102 PolarHBondContact O-N 3.2Å; E100-C103 WeakPolarHBondContact O-CB 3.43Å; E100-C103 PolarHBondContact O-N 3.13Å; E100-C103 VanDerWaalsContact O-N 3.15Å; E100-P113 HydrophobicContact CB-CB 3.93Å; E100-P113 HydrophobicContact CB-CG 3.95Å; E100-P113 WeakPolarHBondContact O-CB 3.22Å; E100-V114 WeakPolarHBondContact CG-O 3.35Å; E100-A115 WeakPolarHBondContact OE1-CA 3.19Å; E100-I116 HydrophobicContact CG-CB 4.12Å; E100-I116 HydrophobicContact CG-CD1 4.02Å; E100-I116 HydrophobicContact CG-CG1 4.23Å; E100-I116 PolarHBondContact OE1-N 2.96Å; E100-G117 PolarHBondContact OE1-N 2.87Å
101M93.5Very high91.5Very high114 Ų11457.5 Ų57.556%0.56227%0.267SS*.THydrogen-bonded Turntrans-58.1-39.3175.2-170.3179.358.400112.4E96 K97 Q98E96-M101 WeakPolarHBondContact O-CB 3.19Å; K97-M101 WeakPolarHBondContact O-CE 3.3Å; Q98-M101 WeakPolarHBondContact O-CB 3.23Å; Q98-M101 PolarHBondContact O-N 3.39Å
102V95.1Very high91.6Very high23 Ų2360.8 Ų60.814%0.13928%0.283CS..THydrogen-bonded Turntrans-91.8-1.6-178-59.40000113.1P49 Q98 C99 E100 R104P49-V102 HydrophobicContact CB-CB 4.35Å; P49-V102 HydrophobicContact CB-CG2 4.42Å; P49-V102 WeakPolarHBondContact CG-O 3.38Å; P49-V102 VanDerWaalsContact O-CG2 3.25Å; P49-V102 WeakPolarHBondContact O-CG2 3.48Å; Q98-V102 PolarHBondContact O-N 3.45Å; C99-V102 WeakPolarHBondContact O-CG2 3.38Å; E100-V102 VanDerWaalsContact C-N 3.27Å; E100-V102 PolarHBondContact O-N 3.2Å; V102-R104 PolarHBondContact O-N 2.71Å
103C95.8Very high91.7Very high15 Ų1561.6 Ų61.610%0.10129%0.289CS..  trans-63.7123.1179.6-176.50000111C99 E100 L105 G106 R107 P113C99-C103 PolarHBondContact O-N 3.49Å; E100-C103 WeakPolarHBondContact O-CB 3.43Å; E100-C103 PolarHBondContact O-N 3.13Å; E100-C103 VanDerWaalsContact O-N 3.15Å; C103-L105 PolarHBondContact O-N 3.3Å; C103-G106 PolarHBondContact O-N 3Å; C103-G106 VanDerWaalsContact O-N 3.1Å; C103-R107 PolarHBondContact O-N 3.45Å; C103-R107 VanDerWaalsContact O-N 3.14Å; C103-P113 HydrophobicContact CB-CB 3.79Å
104R93.8Very high91.9Very high126 Ų12661.5 Ų61.548%0.47529%0.288SS..THydrogen-bonded Turntrans-62.8-26.8-178.1-67.4-164.4-178.8-162.60.2113.5L43 N47 P49 V102L43-R104 HydrophobicContact CD1-CB 4.34Å; N47-R104 PolarHBondContact ND2-NH2 2.83Å; P49-R104 HydrophobicContact CG-CG 4.08Å; V102-R104 PolarHBondContact O-N 2.71Å
105L93.3Very high92.2Very high8 Ų861.1 Ų61.14%0.04229%0.285CS..THydrogen-bonded Turntrans-64.7-48.9174.6-17169.3000110.1R41 L43 C103 R107 S108 F111 V114R41-L105 HydrophobicContact CB-CD2 3.93Å; R41-L105 WeakPolarHBondContact O-CD2 3.41Å; L43-L105 HydrophobicContact CD1-CB 4.17Å; L43-L105 HydrophobicContact CD1-CD1 4.17Å; L43-L105 HydrophobicContact CD2-CD1 4.16Å; L43-L105 HydrophobicContact CG-CB 4.37Å; L43-L105 HydrophobicContact CG-CD1 4.16Å; C103-L105 PolarHBondContact O-N 3.3Å; L105-R107 VanDerWaalsContact C-N 3.28Å; L105-R107 PolarHBondContact O-N 3.1Å; L105-S108 VanDerWaalsContact O-CB 3.28Å; L105-S108 WeakPolarHBondContact O-CB 3.41Å; L105-S108 PolarHBondContact O-N 2.7Å; L105-S108 VanDerWaalsContact O-N 3.08Å; L105-F111 HydrophobicContact CD1-CB 4.06Å; L105-F111 HydrophobicContact CD1-CD1 3.91Å; L105-F111 HydrophobicContact CD1-CG 3.98Å; L105-F111 HydrophobicContact CG-CB 3.95Å; L105-F111 HydrophobicContact CG-CD1 4.42Å; L105-F111 HydrophobicContact CG-CG 4.39Å; L105-F111 WeakPolarHBondContact O-CB 3.45Å; L105-V114 HydrophobicContact CD2-CG2 3.83Å
106G90.9Very high92.4Very high27 Ų2760.9 Ų60.928%0.27828%0.284SS..THydrogen-bonded Turntrans-67.4-22.1178.700000114.9C103 S108 F111C103-G106 PolarHBondContact O-N 3Å; C103-G106 VanDerWaalsContact O-N 3.1Å; G106-S108 PolarHBondContact O-N 2.97Å; G106-F111 WeakPolarHBondContact CA-O 3.17Å
107R87.6Confident92.6Very high173 Ų17358.5 Ų58.565%0.65327%0.274SS*.THydrogen-bonded Turntrans-71.2-15.2172.1-70.4-170.9178.2-170.40.1113.5C103 L105C103-R107 PolarHBondContact O-N 3.45Å; C103-R107 VanDerWaalsContact O-N 3.14Å; L105-R107 VanDerWaalsContact C-N 3.28Å; L105-R107 PolarHBondContact O-N 3.1Å
108S85.5Confident92.8Very high50 Ų5055.5 Ų55.535%0.3526%0.261SS..SBendtrans-78.5123.4171.7-175.60000109.2L105 G106 K110 F111L105-S108 VanDerWaalsContact O-CB 3.28Å; L105-S108 WeakPolarHBondContact O-CB 3.41Å; L105-S108 PolarHBondContact O-N 2.7Å; L105-S108 VanDerWaalsContact O-N 3.08Å; G106-S108 PolarHBondContact O-N 2.97Å; S108-K110 PolarHBondContact O-N 3.11Å; S108-F111 PolarHBondContact O-N 3.31Å; S108-F111 VanDerWaalsContact O-O 3.13Å
109K82.5Confident93.1Very high220 Ų22054.6 Ų54.696%0.95726%0.257SS*.THydrogen-bonded Turntrans-53.6-14.8-178.1-68.5-172.5176.4-174.50115.5
110K87.4Confident93.2Very high158 Ų15854.8 Ų54.869%0.68726%0.256SS*.THydrogen-bonded Turntrans-101.8-10.2-178.6-63.9-173.7178.7-176.20114.1Y6 S108Y6-K110 WeakPolarHBondContact CB-O 3.39Å; Y6-K110 HydrophobicContact CD1-CB 4.21Å; Y6-K110 VanDerWaalsContact CD1-O 3.25Å; Y6-K110 WeakPolarHBondContact CD1-O 3.45Å; Y6-K110 HydrophobicContact CE1-CB 4.29Å; S108-K110 PolarHBondContact O-N 3.11Å
111F92.7Very high93.2Very high50 Ų5054.7 Ų54.722%0.21926%0.256CS..  trans-125.8139-172.8-69.2-96.4000110.7R4 S5 Y6 L105 G106 S108R4-F111 HydrophobicContact CB-CE1 4.26Å; S5-F111 WeakPolarHBondContact O-CD1 3.43Å; Y6-F111 AromaticContact CD1-CD1 3.85Å; Y6-F111 HydrophobicContact CD1-CD1 3.85Å; Y6-F111 HydrophobicContact CD1-CD2 4.06Å; Y6-F111 AromaticContact CD1-CE1 3.49Å; Y6-F111 HydrophobicContact CD1-CE1 3.49Å; Y6-F111 VanDerWaalsContact CD1-CE1 3.49Å; Y6-F111 AromaticContact CD1-CE2 3.74Å; Y6-F111 HydrophobicContact CD1-CE2 3.74Å; Y6-F111 HydrophobicContact CD1-CG 4.11Å; Y6-F111 AromaticContact CD1-CZ 3.44Å; Y6-F111 HydrophobicContact CD1-CZ 3.44Å; Y6-F111 VanDerWaalsContact CD1-CZ 3.44Å; Y6-F111 HydrophobicContact CE1-CD2 4.38Å; Y6-F111 AromaticContact CE1-CE1 3.88Å; Y6-F111 HydrophobicContact CE1-CE1 3.88Å; Y6-F111 AromaticContact CE1-CE2 3.65Å; Y6-F111 HydrophobicContact CE1-CE2 3.65Å; Y6-F111 AromaticContact CE1-CZ 3.36Å; Y6-F111 HydrophobicContact CE1-CZ 3.36Å; Y6-F111 HydrophobicContact CG-CE1 4.31Å; Y6-F111 WeakPolarHBondContact O-CA 3.3Å; L105-F111 HydrophobicContact CD1-CB 4.06Å; L105-F111 HydrophobicContact CD1-CD1 3.91Å; L105-F111 HydrophobicContact CD1-CG 3.98Å; L105-F111 HydrophobicContact CG-CB 3.95Å; L105-F111 HydrophobicContact CG-CD1 4.42Å; L105-F111 HydrophobicContact CG-CG 4.39Å; L105-F111 WeakPolarHBondContact O-CB 3.45Å; G106-F111 WeakPolarHBondContact CA-O 3.17Å; S108-F111 PolarHBondContact O-N 3.31Å; S108-F111 VanDerWaalsContact O-O 3.13Å
112E94.3Very high93.4Very high81 Ų8150 Ų5038%0.37923%0.233SC..PPolyproline II helixtrans-72.9155.5164.6-70.4176-175.200110.5Y6 K8 R41Y6-E112 PolarHBondContact O-N 2.87Å; K8-E112 WeakPolarHBondContact CB-OE2 3.49Å; K8-E112 HydrophobicContact CG-CB 4.04Å; K8-E112 VanDerWaalsContact CG-OE2 3.31Å; K8-E112 WeakPolarHBondContact CG-OE2 3.46Å; K8-E112 PolarHBondContact N-OE2 3.37Å; R41-E112 PolarHBondContact NH2-O 3.28Å
113P96Very high93.5Very high28 Ų2849 Ų4918%0.18223%0.226CC..PPolyproline II helixtrans-61.2161.2170.627.2-33.4000111.2K8 R41 E100 C103K8-P113 WeakPolarHBondContact CE-O 3.44Å; K8-P113 VanDerWaalsContact CG-O 3.25Å; K8-P113 WeakPolarHBondContact CG-O 3.42Å; R41-P113 PolarHBondContact NH1-O 3.34Å; E100-P113 HydrophobicContact CB-CB 3.93Å; E100-P113 HydrophobicContact CB-CG 3.95Å; E100-P113 WeakPolarHBondContact O-CB 3.22Å; C103-P113 HydrophobicContact CB-CB 3.79Å
114V96.8Very high93.5Very high3 Ų348.3 Ų48.32%0.01822%0.222CC..PPolyproline II helixtrans-62.6136.8169-178.20000108.2E38 R41 C42 I64 E100 L105 I116 L119E38-V114 WeakPolarHBondContact OE1-CA 3.43Å; R41-V114 HydrophobicContact CB-CG2 4.34Å; C42-V114 HydrophobicContact CB-CG2 4.32Å; I64-V114 HydrophobicContact CD1-CG1 4.11Å; E100-V114 WeakPolarHBondContact CG-O 3.35Å; L105-V114 HydrophobicContact CD2-CG2 3.83Å; V114-I116 HydrophobicContact CB-CG1 4.37Å; V114-I116 HydrophobicContact CG1-CG1 4.46Å; V114-I116 PolarHBondContact O-N 3.03Å; V114-L119 HydrophobicContact CG1-CD1 3.79Å
115A95.9Very high93.5Very high0 Ų044 Ų440%021%0.209CC..  trans-76.270.5178.500000111.3K8 E38 E100 G117 K118 L119K8-A115 HydrophobicContact CB-CB 4.42Å; K8-A115 HydrophobicContact CD-CB 3.93Å; K8-A115 HydrophobicContact CG-CB 4.02Å; E38-A115 HydrophobicContact CG-CB 3.92Å; E38-A115 PolarHBondContact OE1-N 2.91Å; E100-A115 WeakPolarHBondContact OE1-CA 3.19Å; A115-G117 VanDerWaalsContact C-N 3.34Å; A115-G117 PolarHBondContact O-N 3.48Å; A115-K118 HydrophobicContact CB-CB 3.95Å; A115-K118 HydrophobicContact CB-CD 3.92Å; A115-K118 HydrophobicContact CB-CG 4.08Å; A115-K118 PolarHBondContact O-N 2.58Å; A115-L119 WeakPolarHBondContact O-CG 3.5Å; A115-L119 PolarHBondContact O-N 3.14Å
116I96.3Very high93.6Very high4 Ų446.8 Ų46.82%0.02122%0.219CC..Hα-helixtrans-59-45.1-173.2-64.6162.8000110.6C50 I60 F63 I64 C99 E100 V114 K118 L119 E120C50-I116 HydrophobicContact CB-CD1 4.18Å; I60-I116 HydrophobicContact CD1-CG2 4.16Å; I60-I116 HydrophobicContact CG1-CG2 4.16Å; I60-I116 HydrophobicContact CG2-CD1 3.92Å; I60-I116 HydrophobicContact CG2-CG1 3.94Å; I60-I116 HydrophobicContact CG2-CG2 3.83Å; F63-I116 HydrophobicContact CE1-CG2 4.48Å; F63-I116 HydrophobicContact CZ-CG2 4.21Å; I64-I116 HydrophobicContact CD1-CG1 4.15Å; C99-I116 HydrophobicContact CB-CD1 3.84Å; E100-I116 HydrophobicContact CG-CB 4.12Å; E100-I116 HydrophobicContact CG-CD1 4.02Å; E100-I116 HydrophobicContact CG-CG1 4.23Å; E100-I116 PolarHBondContact OE1-N 2.96Å; V114-I116 HydrophobicContact CB-CG1 4.37Å; V114-I116 HydrophobicContact CG1-CG1 4.46Å; V114-I116 PolarHBondContact O-N 3.03Å; I116-K118 VanDerWaalsContact C-N 3.31Å; I116-K118 PolarHBondContact O-N 2.79Å; I116-L119 PolarHBondContact O-N 3.09Å; I116-E120 WeakPolarHBondContact O-CB 3.35Å; I116-E120 PolarHBondContact O-N 3.39Å
117G94.2Very high93.7Very high2 Ų245.6 Ų45.62%0.02121%0.206CC..Hα-helixtrans-64.1-36.3-179.700000113G90 E100 A115 E120 R121G90-G117 WeakPolarHBondContact CA-O 3.27Å; E100-G117 PolarHBondContact OE1-N 2.87Å; A115-G117 VanDerWaalsContact C-N 3.34Å; A115-G117 PolarHBondContact O-N 3.48Å; G117-E120 PolarHBondContact O-N 2.9Å; G117-R121 WeakPolarHBondContact O-CB 3.4Å; G117-R121 PolarHBondContact O-N 3.15Å
118K95.3Very high94Very high45 Ų4538.4 Ų38.420%0.19618%0.18CC..Hα-helixtrans-70.2-37.3178.2-62.5-173.9171.7-174.60111.8M11 Y30 A115 I116 L122M11-K118 HydrophobicContact CB-CD 4.08Å; M11-K118 HydrophobicContact CE-CB 3.53Å; M11-K118 HydrophobicContact CE-CD 3.73Å; M11-K118 HydrophobicContact CE-CG 3.51Å; M11-K118 HydrophobicContact SD-CD 4.3Å; M11-K118 HydrophobicContact SD-CG 4.35Å; Y30-K118 HydrophobicContact CD2-CB 3.9Å; Y30-K118 HydrophobicContact CE1-CD 4.28Å; Y30-K118 HydrophobicContact CE2-CB 3.33Å; Y30-K118 HydrophobicContact CE2-CD 4.17Å; Y30-K118 HydrophobicContact CE2-CG 4.35Å; Y30-K118 VanDerWaalsContact OH-CD 3.27Å; Y30-K118 WeakPolarHBondContact OH-CD 3.39Å; A115-K118 HydrophobicContact CB-CB 3.95Å; A115-K118 HydrophobicContact CB-CD 3.92Å; A115-K118 HydrophobicContact CB-CG 4.08Å; A115-K118 PolarHBondContact O-N 2.58Å; I116-K118 VanDerWaalsContact C-N 3.31Å; I116-K118 PolarHBondContact O-N 2.79Å; K118-L122 PolarHBondContact O-N 3.28Å; K118-L122 VanDerWaalsContact O-N 3.08Å
119L97.7Very high94.3Very high0 Ų043.5 Ų43.50%020%0.199CC..Hα-helixtrans-69.1-39.7173-68.5176.3000112.2Y30 G35 E38 A39 F63 I64 I67 V114 A115 I116 L122 V123Y30-L119 HydrophobicContact CD2-CD2 4.47Å; G35-L119 VanDerWaalsContact O-CD2 3.25Å; G35-L119 WeakPolarHBondContact O-CD2 3.44Å; E38-L119 HydrophobicContact CB-CD2 4.06Å; E38-L119 HydrophobicContact CG-CD1 4.14Å; E38-L119 HydrophobicContact CG-CD2 4.13Å; E38-L119 HydrophobicContact CG-CG 4.09Å; A39-L119 HydrophobicContact CB-CD1 4.33Å; A39-L119 HydrophobicContact CB-CD2 4.31Å; F63-L119 HydrophobicContact CE2-CB 3.98Å; F63-L119 HydrophobicContact CZ-CB 4.47Å; I64-L119 HydrophobicContact CD1-CD1 3.88Å; I64-L119 HydrophobicContact CG1-CD1 3.8Å; I64-L119 HydrophobicContact CG2-CD1 4.06Å; I67-L119 HydrophobicContact CD1-CB 3.87Å; I67-L119 HydrophobicContact CD1-CD2 4.11Å; I67-L119 HydrophobicContact CD1-CG 4.46Å; I67-L119 HydrophobicContact CG2-CD2 4.46Å; V114-L119 HydrophobicContact CG1-CD1 3.79Å; A115-L119 WeakPolarHBondContact O-CG 3.5Å; A115-L119 PolarHBondContact O-N 3.14Å; I116-L119 PolarHBondContact O-N 3.09Å; L119-L122 WeakPolarHBondContact O-CB 3.23Å; L119-L122 PolarHBondContact O-N 3.35Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3.39Å
120E96.7Very high94.8Very high11 Ų1136.5 Ų36.55%0.05117%0.169CC..Hα-helixtrans-61.4-45.6174-177.1175.5-164.100110.9F63 L79 P86 C89 I116 G117 L122 V123 A124F63-E120 HydrophobicContact CZ-CB 4.29Å; L79-E120 HydrophobicContact CD1-CG 4.16Å; L79-E120 HydrophobicContact CD2-CG 4.36Å; P86-E120 HydrophobicContact CB-CG 4.4Å; C89-E120 VanDerWaalsContact CB-OE1 3.31Å; C89-E120 WeakPolarHBondContact CB-OE1 3.36Å; I116-E120 WeakPolarHBondContact O-CB 3.35Å; I116-E120 PolarHBondContact O-N 3.39Å; G117-E120 PolarHBondContact O-N 2.9Å; E120-L122 PolarHBondContact O-N 3.32Å; E120-V123 PolarHBondContact O-N 2.58Å; E120-A124 WeakPolarHBondContact O-CB 3.43Å; E120-A124 PolarHBondContact O-N 3.08Å
121R95.6Very high94.8Very high11 Ų1134.1 Ų34.14%0.04217%0.17CC..Hα-helixtrans-57-45.8174178.4176.5168.1178.5-0.8112.3E25 A27 G117 V123 A124 D125E25-R121 VanDerWaalsContact CD-NH2 3.26Å; E25-R121 IonicContact OE1-CZ 3.24Å; E25-R121 IonicContact OE1-NE 3.99Å; E25-R121 IonicContact OE1-NH1 2.84Å; E25-R121 PolarHBondContact OE1-NH1 2.96Å; E25-R121 IonicContact OE1-NH2 3.98Å; E25-R121 PolarHBondContact OE1-NH2 3.14Å; E25-R121 VanDerWaalsContact OE1-NH2 3.09Å; E25-R121 IonicContact OE2-NH2 2.82Å; E25-R121 PolarHBondContact OE2-NH2 2.93Å; A27-R121 VanDerWaalsContact O-CZ 3.23Å; A27-R121 PolarHBondContact O-NH1 3.12Å; A27-R121 PolarHBondContact O-NH2 3.47Å; G117-R121 WeakPolarHBondContact O-CB 3.4Å; G117-R121 PolarHBondContact O-N 3.15Å; R121-V123 VanDerWaalsContact C-N 3.31Å; R121-V123 PolarHBondContact O-N 2.79Å; R121-A124 PolarHBondContact O-N 2.67Å; R121-D125 WeakPolarHBondContact CG-OD2 3.2Å; R121-D125 IonicContact CZ-OD2 3.73Å; R121-D125 IonicContact NE-OD2 2.68Å; R121-D125 PolarHBondContact NE-OD2 3.44Å; R121-D125 VanDerWaalsContact NE-OD2 3.1Å; R121-D125 IonicContact NH2-OD2 2.62Å; R121-D125 WeakPolarHBondContact O-CB 3.13Å; R121-D125 PolarHBondContact O-N 3Å
122L97.2Very high94.4Very high16 Ų1634.6 Ų34.68%0.08418%0.175CC..Hα-helixtrans-56-45.9178.317065.6000111.9Y30 I67 M72 K118 L119 E120 W126Y30-L122 WeakPolarHBondContact O-CD1 3.39Å; I67-L122 HydrophobicContact CG2-CD2 4.3Å; M72-L122 HydrophobicContact CE-CG 4.08Å; K118-L122 PolarHBondContact O-N 3.28Å; K118-L122 VanDerWaalsContact O-N 3.08Å; L119-L122 WeakPolarHBondContact O-CB 3.23Å; L119-L122 PolarHBondContact O-N 3.35Å; E120-L122 PolarHBondContact O-N 3.32Å; L122-W126 WeakPolarHBondContact O-CB 3.34Å; L122-W126 PolarHBondContact O-N 2.83Å
123V97.4Very high93.8Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-67.5-40179.2179.70000111.1F63 I67 M72 A75 Y76 L79 L119 E120 R121 A127F63-V123 HydrophobicContact CD2-CG2 4.34Å; I67-V123 HydrophobicContact CD1-CG2 3.47Å; I67-V123 VanDerWaalsContact CD1-CG2 3.47Å; I67-V123 HydrophobicContact CG1-CG2 3.65Å; M72-V123 HydrophobicContact CE-CB 4.23Å; M72-V123 HydrophobicContact CE-CG2 3.85Å; A75-V123 HydrophobicContact CB-CG1 3.95Å; A75-V123 HydrophobicContact CB-CG2 3.81Å; Y76-V123 HydrophobicContact CD2-CG1 4.42Å; L79-V123 HydrophobicContact CD1-CB 3.75Å; L79-V123 HydrophobicContact CD1-CG1 3.62Å; L79-V123 HydrophobicContact CD1-CG2 4.43Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3.39Å; E120-V123 PolarHBondContact O-N 2.58Å; R121-V123 VanDerWaalsContact C-N 3.31Å; R121-V123 PolarHBondContact O-N 2.79Å; V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.39Å; V123-A127 PolarHBondContact O-N 3.47Å
124A95.4Very high93Very high1 Ų145.2 Ų45.21%0.00822%0.215CC..Hα-helixtrans-68-43.7179.300000112.6P86 A87 E120 R121 A127 L128P86-A124 HydrophobicContact CB-CB 3.95Å; P86-A124 HydrophobicContact CG-CB 4.19Å; A87-A124 HydrophobicContact CB-CB 3.69Å; A87-A124 VanDerWaalsContact N-CB 3.32Å; E120-A124 WeakPolarHBondContact O-CB 3.43Å; E120-A124 PolarHBondContact O-N 3.08Å; R121-A124 PolarHBondContact O-N 2.67Å; A124-A127 WeakPolarHBondContact O-CB 3.14Å; A124-A127 PolarHBondContact O-N 3.28Å; A124-A127 VanDerWaalsContact O-N 3.15Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.3Å; A124-L128 PolarHBondContact O-N 2.89Å
125D95.3Very high91.8Very high37 Ų3751.5 Ų51.520%0.19824%0.243CC..Hα-helixtrans-63.7-43.7176.9-71.5-12000110.1R91 R121 A127 L128 E129R91-D125 IonicContact CZ-OD1 2.85Å; R91-D125 VanDerWaalsContact CZ-OD1 3.28Å; R91-D125 IonicContact NH1-OD1 2.62Å; R91-D125 PolarHBondContact NH1-OD1 2.62Å; R91-D125 IonicContact NH2-OD1 3.03Å; R91-D125 PolarHBondContact NH2-OD1 3.3Å; R91-D125 IonicContact NH2-OD2 3.88Å; R91-D125 PolarHBondContact NH2-OD2 2.85Å; R121-D125 WeakPolarHBondContact CG-OD2 3.2Å; R121-D125 IonicContact CZ-OD2 3.73Å; R121-D125 IonicContact NE-OD2 2.68Å; R121-D125 PolarHBondContact NE-OD2 3.44Å; R121-D125 VanDerWaalsContact NE-OD2 3.1Å; R121-D125 IonicContact NH2-OD2 2.62Å; R121-D125 WeakPolarHBondContact O-CB 3.13Å; R121-D125 PolarHBondContact O-N 3Å; D125-A127 VanDerWaalsContact C-N 3.3Å; D125-A127 PolarHBondContact O-N 3.38Å; D125-L128 PolarHBondContact O-N 3.42Å; D125-E129 PolarHBondContact O-N 3.04Å
126W95.4Very high90.2Very high66 Ų6661.4 Ų61.425%0.2529%0.289CS..Hα-helixtrans-58.4-41.9171.3173.584.1000112.4M72 P73 L122 L128 E129 Q130M72-W126 HydrophobicContact CB-CD2 3.52Å; M72-W126 HydrophobicContact CB-CE3 3.84Å; M72-W126 HydrophobicContact CB-CG 4.01Å; M72-W126 HydrophobicContact CB-CH2 4.21Å; M72-W126 HydrophobicContact CB-CZ2 3.89Å; M72-W126 HydrophobicContact CB-CZ3 4.18Å; M72-W126 HydrophobicContact CE-CB 3.72Å; M72-W126 HydrophobicContact CE-CD2 4.35Å; M72-W126 HydrophobicContact CE-CG 3.9Å; M72-W126 HydrophobicContact CG-CD2 4.31Å; M72-W126 HydrophobicContact CG-CG 4.29Å; P73-W126 HydrophobicContact CB-CH2 3.99Å; P73-W126 HydrophobicContact CG-CH2 3.61Å; P73-W126 HydrophobicContact CG-CZ2 3.91Å; L122-W126 WeakPolarHBondContact O-CB 3.34Å; L122-W126 PolarHBondContact O-N 2.83Å; W126-L128 VanDerWaalsContact C-N 3.34Å; W126-L128 PolarHBondContact O-N 2.96Å; W126-E129 PolarHBondContact O-N 3.01Å; W126-Q130 HydrophobicContact CD2-CG 4.41Å; W126-Q130 HydrophobicContact CE3-CG 4.3Å; W126-Q130 HydrophobicContact CH2-CG 3.8Å; W126-Q130 HydrophobicContact CZ2-CG 3.94Å; W126-Q130 HydrophobicContact CZ3-CG 4.01Å; W126-Q130 WeakPolarHBondContact O-CG 3.43Å; W126-Q130 PolarHBondContact O-NE2 3.48Å; W126-Q130 VanDerWaalsContact O-NE2 3.07Å
127A93.6Very high88.7Confident2 Ų263.3 Ų63.32%0.01730%0.3CS..Hα-helixtrans-65.8-37.8-179.300000111.8Y76 V123 A124 D125 E129 Q130 R200Y76-A127 HydrophobicContact CD1-CB 4.15Å; Y76-A127 HydrophobicContact CD2-CB 3.3Å; Y76-A127 HydrophobicContact CE1-CB 4.23Å; Y76-A127 HydrophobicContact CE2-CB 3.39Å; Y76-A127 HydrophobicContact CG-CB 3.7Å; V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.39Å; V123-A127 PolarHBondContact O-N 3.47Å; A124-A127 WeakPolarHBondContact O-CB 3.14Å; A124-A127 PolarHBondContact O-N 3.28Å; A124-A127 VanDerWaalsContact O-N 3.15Å; D125-A127 VanDerWaalsContact C-N 3.3Å; D125-A127 PolarHBondContact O-N 3.38Å; A127-E129 PolarHBondContact O-N 2.92Å; A127-Q130 VanDerWaalsContact O-CB 3.29Å; A127-Q130 WeakPolarHBondContact O-CB 3.27Å; A127-Q130 PolarHBondContact O-N 2.92Å; A127-R200 VanDerWaalsContact O-CZ 3.27Å; A127-R200 PolarHBondContact O-NH1 2.88Å; A127-R200 PolarHBondContact O-NH2 3.29Å
128L92.4Very high87.6Confident21 Ų2168.5 Ų68.511%0.1133%0.328CS..Hα-helixtrans-65.4-23.9178-72.6169.4000113.5A87 A124 D125 W126 Q130 I193 Q196A87-L128 HydrophobicContact CB-CD1 3.79Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.3Å; A124-L128 PolarHBondContact O-N 2.89Å; D125-L128 PolarHBondContact O-N 3.42Å; W126-L128 VanDerWaalsContact C-N 3.34Å; W126-L128 PolarHBondContact O-N 2.96Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; L128-I193 HydrophobicContact CD1-CD1 3.51Å; L128-I193 HydrophobicContact CD1-CG2 4.13Å; L128-Q196 HydrophobicContact CD2-CB 3.54Å; L128-Q196 HydrophobicContact CD2-CG 4.46Å
129E92Very high86.8Confident157 Ų15769 Ų6973%0.73434%0.337SS*.THydrogen-bonded Turntrans-77.5-16171.3-65.2177.5175.300112.8D125 W126 A127D125-E129 PolarHBondContact O-N 3.04Å; W126-E129 PolarHBondContact O-N 3.01Å; A127-E129 PolarHBondContact O-N 2.92Å
130Q92.5Very high85.8Confident73 Ų7374.1 Ų74.134%0.34136%0.364SS..SBendtrans-79.4148.2176.9-50.7-47.7-58.500111.1W126 A127 L128 R200W126-Q130 HydrophobicContact CD2-CG 4.41Å; W126-Q130 HydrophobicContact CE3-CG 4.3Å; W126-Q130 HydrophobicContact CH2-CG 3.8Å; W126-Q130 HydrophobicContact CZ2-CG 3.94Å; W126-Q130 HydrophobicContact CZ3-CG 4.01Å; W126-Q130 WeakPolarHBondContact O-CG 3.43Å; W126-Q130 PolarHBondContact O-NE2 3.48Å; W126-Q130 VanDerWaalsContact O-NE2 3.07Å; A127-Q130 VanDerWaalsContact O-CB 3.29Å; A127-Q130 WeakPolarHBondContact O-CB 3.27Å; A127-Q130 PolarHBondContact O-N 2.92Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; Q130-R200 PolarHBondContact O-NH2 2.86Å
131P88.2Confident85Confident108 Ų10875.8 Ų75.870%0.70137%0.372SS*.PPolyproline II helixtrans-53.3142.3175.3-25.134000112.7E133P131-E133 PolarHBondContact O-N 2.94Å
132L85.1Confident84.6Confident61 Ų6175.9 Ų75.932%0.31938%0.376SS..PPolyproline II helixtrans-72.5117.3174.3-174.969000109.8Y134 E199 R200 A203L132-Y134 HydrophobicContact CD2-CE2 3.98Å; L132-Y134 HydrophobicContact CG-CE2 4.37Å; L132-E199 HydrophobicContact CD2-CB 4.46Å; L132-R200 HydrophobicContact CD1-CB 4.25Å; L132-R200 HydrophobicContact CD1-CG 3.43Å; L132-R200 VanDerWaalsContact CD1-CG 3.43Å; L132-A203 HydrophobicContact CD1-CB 3.85Å; L132-A203 HydrophobicContact CD2-CB 4.2Å; L132-A203 HydrophobicContact CG-CB 4.01Å
133E80.9Confident84.4Confident153 Ų15376.8 Ų76.872%0.71538%0.378SS*.PPolyproline II helixtrans-95.6119.3174.9-69-177.6174.300110.7P131P131-E133 PolarHBondContact O-N 2.94Å
134Y79.6Confident84.4Confident178 Ų17876.8 Ų76.870%0.69838%0.378SS*.PPolyproline II helixtrans-79.4126170.5-71.3-92.9000109.5L132 A203L132-Y134 HydrophobicContact CD2-CE2 3.98Å; L132-Y134 HydrophobicContact CG-CE2 4.37Å; Y134-A203 HydrophobicContact CD1-CB 3.96Å; Y134-A203 HydrophobicContact CE1-CB 4.13Å; Y134-A203 HydrophobicContact CG-CB 4.38Å
135K70.4Confident84.5Confident136 Ų13676.8 Ų76.859%0.59138%0.378SS*.PPolyproline II helixtrans-98.6124.5173.9-68.1-175.4178.7-179.70108.9V137 A203K135-V137 HydrophobicContact CB-CG2 4.19Å; K135-V137 PolarHBondContact O-N 2.67Å; K135-V137 VanDerWaalsContact O-N 3.08Å; K135-A203 PolarHBondContact N-O 3.14Å
136E62.8Low84.7Confident207 Ų20775 Ų7597%0.96737%0.368SS*.  trans-69.8104.2167.6-140.6178.8-168.100107.7
137V65.3Low84.8Confident44 Ų4472.1 Ų72.127%0.26736%0.357SS..  trans-96.9116.7-178.1-179.50000109.4K135 S139 A161 Q204K135-V137 HydrophobicContact CB-CG2 4.19Å; K135-V137 PolarHBondContact O-N 2.67Å; K135-V137 VanDerWaalsContact O-N 3.08Å; V137-S139 PolarHBondContact O-N 3.01Å; V137-S139 VanDerWaalsContact O-N 3.12Å; V137-S139 PolarHBondContact O-OG 3.42Å; V137-A161 WeakPolarHBondContact CG1-O 3.25Å; V137-Q204 WeakPolarHBondContact CG2-O 3.49Å
138N70.4Confident84.9Confident111 Ų11172.4 Ų72.459%0.59436%0.361SS*.  trans-66111.3168.2-176.717.8000108.8D140 G164N138-D140 PolarHBondContact ND2-OD2 3.24Å; N138-D140 PolarHBondContact O-N 3.22Å; N138-G164 WeakPolarHBondContact O-CA 3.42Å
139S79.1Confident85.1Confident56 Ų5671.4 Ų71.439%0.39236%0.356SS..  trans-97.555.7-174.6-49.70000110.9V137 G164V137-S139 PolarHBondContact O-N 3.01Å; V137-S139 VanDerWaalsContact O-N 3.12Å; V137-S139 PolarHBondContact O-OG 3.42Å; S139-G164 CarbonylContact C-O 3.43Å; S139-G164 VanDerWaalsContact CA-O 3.3Å; S139-G164 WeakPolarHBondContact CA-O 3.45Å
140D76.7Confident85.2Confident107 Ų10764.5 Ų64.557%0.57233%0.326SS*.  trans-95.3-12.4-172.961.8-3.3000114N138 G164N138-D140 PolarHBondContact ND2-OD2 3.24Å; N138-D140 PolarHBondContact O-N 3.22Å; D140-G164 PolarHBondContact N-O 3.18Å
141K80.4Confident85.4Confident47 Ų4761.4 Ų61.420%0.20431%0.313CS..SBendtrans-76.5-21.5-177.7-73.6-156.5174.7-177.80114.9L163 G164 Y165 D439 K446K141-L163 WeakPolarHBondContact CD-O 3.24Å; K141-L163 WeakPolarHBondContact CE-O 3.34Å; K141-L163 PolarHBondContact NZ-O 3.19Å; K141-G164 WeakPolarHBondContact CB-O 3.48Å; K141-G164 PolarHBondContact N-O 3.03Å; K141-G164 VanDerWaalsContact N-O 3.11Å; K141-Y165 HydrophobicContact CB-CD1 3.71Å; K141-Y165 HydrophobicContact CB-CD2 4.22Å; K141-Y165 HydrophobicContact CB-CE1 3.5Å; K141-Y165 HydrophobicContact CB-CE2 4.05Å; K141-Y165 HydrophobicContact CB-CG 4.05Å; K141-Y165 HydrophobicContact CD-CD2 4.27Å; K141-Y165 HydrophobicContact CD-CE1 4.44Å; K141-Y165 HydrophobicContact CD-CE2 3.67Å; K141-Y165 WeakPolarHBondContact O-CE1 2.99Å; K141-D439 IonicContact NZ-OD1 2.82Å; K141-D439 PolarHBondContact NZ-OD1 3.01Å; K141-D439 IonicContact NZ-OD2 3.21Å; K141-K446 VanDerWaalsContact C-NZ 3.35Å; K141-K446 PolarHBondContact O-NZ 3.37Å
142G86.4Confident85.8Confident12 Ų1256.5 Ų56.512%0.12428%0.281CS..  trans140.6178.7-178.400000112.4Y165 D166 D228G142-Y165 WeakPolarHBondContact O-CA 3.29Å; G142-D166 PolarHBondContact O-N 3.23Å; G142-D228 WeakPolarHBondContact CA-OD2 3.47Å
143R93.4Very high86.3Confident36 Ų3653.6 Ų53.614%0.13627%0.266CS..EExtended strand (participates in β ladder)trans-108.2131.5177-58.4-178.870.3-162-1.6109.8D166 E226 F227 D228 K980 K981R143-D166 CarbonylContact C-O 3.32Å; R143-D166 VanDerWaalsContact CA-O 3.27Å; R143-D166 WeakPolarHBondContact CA-O 3.27Å; R143-D166 HydrophobicContact CG-CB 4.16Å; R143-E226 IonicContact CZ-OE1 2.89Å; R143-E226 IonicContact NH1-OE1 2.88Å; R143-E226 PolarHBondContact NH1-OE1 3.42Å; R143-E226 IonicContact NH2-OE1 3.67Å; R143-E226 PolarHBondContact NH2-OE1 3.45Å; R143-F227 HydrophobicContact CB-CD1 3.71Å; R143-F227 HydrophobicContact CB-CE1 4.26Å; R143-F227 HydrophobicContact CB-CG 4.49Å; R143-D228 PolarHBondContact N-OD2 3.34Å; R143-D228 WeakPolarHBondContact O-CB 3.29Å; R143-D228 PolarHBondContact O-N 3.25Å; R143-K980 PolarHBondContact NH1-O 3.29Å; R143-K981 PolarHBondContact NH1-O 3.29Å; R143-K981 VanDerWaalsContact NH1-O 3.08Å
144V97.4Very high87.2Confident0 Ų046.3 Ų46.30%023%0.232CC..EExtended strand (participates in β ladder)trans-125.4130.5175.3-177.30000110.7L160 Y165 D166 V167 T168 A229 I438 I442V144-L160 HydrophobicContact CB-CD1 4.02Å; V144-L160 HydrophobicContact CG1-CD1 3.65Å; V144-L160 HydrophobicContact CG2-CD1 4.17Å; V144-Y165 HydrophobicContact CG2-CD1 3.91Å; V144-Y165 HydrophobicContact CG2-CG 4.21Å; V144-D166 PolarHBondContact N-O 3.45Å; V144-V167 WeakPolarHBondContact O-CA 3.34Å; V144-T168 PolarHBondContact O-N 2.94Å; V144-A229 WeakPolarHBondContact CA-O 3.48Å; V144-A229 WeakPolarHBondContact CG1-O 3.33Å; V144-I438 HydrophobicContact CG1-CD1 4.48Å; V144-I438 HydrophobicContact CG1-CG2 4.27Å; V144-I438 HydrophobicContact CG2-CG2 3.89Å; V144-I442 HydrophobicContact CG2-CD1 3.6Å
145A98Very high88Confident0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-91.9132.7171.800000110.3I147 T168 Y170 I223 F227 A229 C230 Y231A145-I147 HydrophobicContact CB-CD1 3.86Å; A145-T168 WeakPolarHBondContact CA-O 3.36Å; A145-Y170 HydrophobicContact CB-CD2 4.49Å; A145-Y170 HydrophobicContact CB-CE2 4.12Å; A145-I223 HydrophobicContact CB-CG2 3.34Å; A145-F227 HydrophobicContact CB-CB 4.11Å; A145-F227 HydrophobicContact CB-CD1 3.77Å; A145-F227 HydrophobicContact CB-CD2 3.73Å; A145-F227 HydrophobicContact CB-CE1 4.04Å; A145-F227 HydrophobicContact CB-CE2 4.01Å; A145-F227 HydrophobicContact CB-CG 3.6Å; A145-F227 HydrophobicContact CB-CZ 4.15Å; A145-F227 VanDerWaalsContact N-CD1 3.25Å; A145-A229 PolarHBondContact N-O 3.32Å; A145-A229 VanDerWaalsContact N-O 3.11Å; A145-C230 CarbonylContact O-C 3.6Å; A145-C230 WeakPolarHBondContact O-CA 3.23Å; A145-Y231 PolarHBondContact O-N 2.93Å
146V98.4Very high89.3Confident0 Ų031.3 Ų31.30%017%0.17CC..EExtended strand (participates in β ladder)trans-117.6119.2173.51750000108.6T156 A157 V167 T168 V169 Y170 Y231V146-T156 HydrophobicContact CG2-CG2 4.5Å; V146-A157 HydrophobicContact CG2-CB 4.26Å; V146-V167 HydrophobicContact CG2-CG1 3.76Å; V146-T168 PolarHBondContact N-O 2.86Å; V146-V169 HydrophobicContact CB-CB 4.5Å; V146-V169 HydrophobicContact CB-CG1 4.49Å; V146-V169 HydrophobicContact CB-CG2 4.08Å; V146-V169 HydrophobicContact CG1-CG1 4.3Å; V146-V169 HydrophobicContact CG1-CG2 4.39Å; V146-V169 CarbonylContact O-C 3.49Å; V146-V169 WeakPolarHBondContact O-CA 3.46Å; V146-Y170 PolarHBondContact O-N 3.08Å; V146-Y231 HydrophobicContact CG1-CD1 4.13Å
147I97.2Very high90.9Very high5 Ų521.5 Ų21.53%0.02612%0.124CC..EExtended strand (participates in β ladder)trans-103111.1-173.4-60.260.9000107.2A145 V214 I223 C230 Y231 L232 S233 V234 L382A145-I147 HydrophobicContact CB-CD1 3.86Å; I147-V214 HydrophobicContact CG1-CG1 4.44Å; I147-V214 HydrophobicContact CG1-CG2 4.2Å; I147-V214 HydrophobicContact CG2-CB 3.9Å; I147-V214 HydrophobicContact CG2-CG1 4.36Å; I147-V214 HydrophobicContact CG2-CG2 3.74Å; I147-I223 HydrophobicContact CD1-CG2 4.49Å; I147-I223 HydrophobicContact CG1-CD1 4.33Å; I147-C230 HydrophobicContact CD1-CB 4.47Å; I147-Y231 PolarHBondContact N-O 3.16Å; I147-L232 HydrophobicContact CB-CD2 3.94Å; I147-L232 HydrophobicContact CD1-CD2 4.11Å; I147-L232 HydrophobicContact CG1-CD2 3.92Å; I147-S233 CarbonylContact O-C 3.47Å; I147-S233 VanDerWaalsContact O-C 3.31Å; I147-S233 WeakPolarHBondContact O-CA 3.09Å; I147-S233 PolarHBondContact O-N 2.99Å; I147-S233 PolarHBondContact O-OG 2.84Å; I147-V234 HydrophobicContact CG2-CG1 3.68Å; I147-V234 PolarHBondContact O-N 3.04Å; I147-L382 HydrophobicContact CG2-CD2 4.45Å
148G96Very high92.3Very high9 Ų919.4 Ų19.49%0.09311%0.111CC..  trans99.7129.1-172.300000112.6Y170 S233G148-Y170 WeakPolarHBondContact CA-O 3.15Å; G148-Y170 PolarHBondContact N-O 2.85Å; G148-S233 PolarHBondContact O-OG 3.4Å
149S96.6Very high93.5Very high0 Ų014.9 Ų14.90%09%0.087CC..  trans-98.827.3177.873.70000113.1L154 E171 P176 G177 G178S149-L154 VanDerWaalsContact O-CD1 3.25Å; S149-L154 WeakPolarHBondContact O-CD1 3.42Å; S149-L154 VanDerWaalsContact O-CG 3.31Å; S149-L154 WeakPolarHBondContact O-CG 3.16Å; S149-E171 VanDerWaalsContact CB-OE2 3.31Å; S149-E171 WeakPolarHBondContact CB-OE2 3.36Å; S149-E171 PolarHBondContact N-OE2 2.94Å; S149-E171 VanDerWaalsContact OG-CD 3.29Å; S149-E171 WeakPolarHBondContact OG-CG 3.25Å; S149-E171 PolarHBondContact OG-OE2 3.3Å; S149-P176 WeakPolarHBondContact OG-CA 3.31Å; S149-P176 WeakPolarHBondContact OG-CB 3.41Å; S149-G177 CarbonylContact O-C 3.52Å; S149-G177 WeakPolarHBondContact O-CA 3.26Å; S149-G177 PolarHBondContact O-N 2.92Å; S149-G177 PolarHBondContact OG-N 3.38Å; S149-G178 PolarHBondContact O-N 2.78Å
150G95.3Very high94.3Very high11 Ų1112.2 Ų12.211%0.1137%0.069CC..SBendtrans-67.5179172.300000112.6S152 G153 L154G150-S152 PolarHBondContact O-N 3.05Å; G150-S152 VanDerWaalsContact O-N 3.13Å; G150-G153 PolarHBondContact O-N 3.47Å; G150-G153 VanDerWaalsContact O-N 3.15Å; G150-L154 PolarHBondContact O-N 3.32Å
151P95.8Very high95.1Very high8 Ų87.1 Ų7.15%0.0524%0.042CC..Hα-helixtrans-54.1-37.7-179-1923.8000113.6L85 T155 V179 L180 V424 A427 M428L85-P151 HydrophobicContact CD1-CB 4.46Å; P151-T155 WeakPolarHBondContact O-CB 3.42Å; P151-T155 PolarHBondContact O-N 3.42Å; P151-T155 VanDerWaalsContact O-N 3.12Å; P151-T155 PolarHBondContact O-OG1 3.04Å; P151-V179 HydrophobicContact CG-CG1 3.97Å; P151-L180 HydrophobicContact CB-CD1 4.49Å; P151-L180 HydrophobicContact CG-CD1 4.08Å; P151-L180 HydrophobicContact CG-CD2 3.9Å; P151-L180 HydrophobicContact CG-CG 3.86Å; P151-V424 HydrophobicContact CB-CG1 3.82Å; P151-V424 HydrophobicContact CG-CB 4.48Å; P151-V424 HydrophobicContact CG-CG1 3.88Å; P151-V424 HydrophobicContact CG-CG2 4.36Å; P151-A427 HydrophobicContact CB-CB 4.46Å; P151-M428 HydrophobicContact CB-CG 3.93Å
152S96Very high95.6Very high5 Ų58.8 Ų8.84%0.0355%0.049CC..Hα-helixtrans-66.1-55177.6-159.70000111.5G150 L154 T155 T156 Y231 A427G150-S152 PolarHBondContact O-N 3.05Å; G150-S152 VanDerWaalsContact O-N 3.13Å; S152-L154 PolarHBondContact O-N 3.13Å; S152-T155 PolarHBondContact O-N 3.43Å; S152-T155 VanDerWaalsContact O-N 3.16Å; S152-T156 PolarHBondContact O-N 2.76Å; S152-T156 PolarHBondContact O-OG1 2.85Å; S152-Y231 PolarHBondContact OG-OH 2.67Å; S152-A427 VanDerWaalsContact CA-O 3.32Å; S152-A427 WeakPolarHBondContact CA-O 3.4Å; S152-A427 WeakPolarHBondContact CB-O 3.11Å; S152-A427 PolarHBondContact OG-O 3.34Å
153G97.5Very high95.9Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-59.8-44.7179.500000113.3G150 T155 T156 A157 S233G150-G153 PolarHBondContact O-N 3.47Å; G150-G153 VanDerWaalsContact O-N 3.15Å; G153-T155 VanDerWaalsContact C-N 3.31Å; G153-T155 PolarHBondContact O-N 2.93Å; G153-T156 PolarHBondContact O-N 3.02Å; G153-A157 VanDerWaalsContact O-CB 3.27Å; G153-A157 WeakPolarHBondContact O-CB 3.16Å; G153-A157 PolarHBondContact O-N 3.29Å; G153-S233 VanDerWaalsContact CA-OG 3.26Å; G153-S233 WeakPolarHBondContact CA-OG 3.42Å; G153-S233 PolarHBondContact N-OG 2.86Å
154L97.8Very high95.7Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-62.3-37.7175.9-72.2174000112.4L85 S149 G150 S152 G158 I198 I201 I208L85-L154 HydrophobicContact CD1-CB 4.29Å; L85-L154 HydrophobicContact CD2-CB 4.49Å; L85-L154 HydrophobicContact CD2-CD1 4.38Å; S149-L154 VanDerWaalsContact O-CD1 3.25Å; S149-L154 WeakPolarHBondContact O-CD1 3.42Å; S149-L154 VanDerWaalsContact O-CG 3.31Å; S149-L154 WeakPolarHBondContact O-CG 3.16Å; G150-L154 PolarHBondContact O-N 3.32Å; S152-L154 PolarHBondContact O-N 3.13Å; L154-G158 PolarHBondContact O-N 3.12Å; L154-I198 HydrophobicContact CD1-CD1 4.13Å; L154-I198 HydrophobicContact CD1-CG1 3.81Å; L154-I198 HydrophobicContact CD2-CG1 4.26Å; L154-I201 HydrophobicContact CB-CD1 3.91Å; L154-I201 HydrophobicContact CD2-CD1 4.21Å; L154-I208 HydrophobicContact CD2-CD1 4.29Å
155T96.7Very high95.6Very high0 Ų09 Ų90%05%0.052CC..Hα-helixtrans-66-49.3176.5-60.20000110.8N84 P151 S152 G153 A157 G158 D159 M428 K432N84-T155 PolarHBondContact ND2-O 3.43Å; P151-T155 WeakPolarHBondContact O-CB 3.42Å; P151-T155 PolarHBondContact O-N 3.42Å; P151-T155 VanDerWaalsContact O-N 3.12Å; P151-T155 PolarHBondContact O-OG1 3.04Å; S152-T155 PolarHBondContact O-N 3.43Å; S152-T155 VanDerWaalsContact O-N 3.16Å; G153-T155 VanDerWaalsContact C-N 3.31Å; G153-T155 PolarHBondContact O-N 2.93Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 2.79Å; T155-G158 PolarHBondContact O-N 3.36Å; T155-D159 PolarHBondContact O-N 3.02Å; T155-D159 VanDerWaalsContact O-N 3.09Å; T155-M428 HydrophobicContact CG2-CB 4.35Å; T155-M428 WeakPolarHBondContact OG1-CG 3.49Å; T155-K432 HydrophobicContact CG2-CD 4.45Å; T155-K432 HydrophobicContact CG2-CG 4.04Å
156T97.7Very high95.4Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-59.7-44177.3-570000111.5V146 S152 G153 D159 L160 Y231 G431 A434 A435 I438V146-T156 HydrophobicContact CG2-CG2 4.5Å; S152-T156 PolarHBondContact O-N 2.76Å; S152-T156 PolarHBondContact O-OG1 2.85Å; G153-T156 PolarHBondContact O-N 3.02Å; T156-D159 PolarHBondContact O-N 3.21Å; T156-L160 HydrophobicContact CG2-CD1 3.73Å; T156-L160 HydrophobicContact CG2-CG 4.3Å; T156-L160 WeakPolarHBondContact O-CB 3.5Å; T156-L160 WeakPolarHBondContact O-CG 3.29Å; T156-L160 PolarHBondContact O-N 3.03Å; T156-Y231 HydrophobicContact CG2-CD1 3.71Å; T156-Y231 HydrophobicContact CG2-CE1 4.22Å; T156-Y231 HydrophobicContact CG2-CG 4Å; T156-Y231 WeakPolarHBondContact OG1-CD1 3.47Å; T156-Y231 WeakPolarHBondContact OG1-CE1 3.5Å; T156-G431 WeakPolarHBondContact OG1-CA 3.48Å; T156-G431 PolarHBondContact OG1-O 2.92Å; T156-A434 HydrophobicContact CG2-CB 4.37Å; T156-A435 HydrophobicContact CG2-CB 4.25Å; T156-I438 HydrophobicContact CG2-CD1 4.24Å
157A97.6Very high95.3Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-64.1-47.6-178.500000112.6V146 G153 T155 D159 L160 A161 V167 V169 V206V146-A157 HydrophobicContact CG2-CB 4.26Å; G153-A157 VanDerWaalsContact O-CB 3.27Å; G153-A157 WeakPolarHBondContact O-CB 3.16Å; G153-A157 PolarHBondContact O-N 3.29Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 2.79Å; A157-D159 VanDerWaalsContact C-N 3.34Å; A157-D159 PolarHBondContact O-N 2.96Å; A157-L160 PolarHBondContact O-N 2.9Å; A157-A161 WeakPolarHBondContact O-CB 3.44Å; A157-A161 PolarHBondContact O-N 3.38Å; A157-V167 HydrophobicContact CB-CG1 3.79Å; A157-V169 HydrophobicContact CB-CG2 3.62Å; A157-V206 HydrophobicContact CB-CG1 3.89Å; A157-V206 HydrophobicContact CB-CG2 4.14Å; A157-V206 WeakPolarHBondContact O-CG2 3.49Å
158G95Very high95.4Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-63.2-38.7177.400000112.8L154 T155 K162L154-G158 PolarHBondContact O-N 3.12Å; T155-G158 PolarHBondContact O-N 3.36Å; G158-K162 VanDerWaalsContact O-CG 3.3Å; G158-K162 WeakPolarHBondContact O-CG 3.48Å; G158-K162 PolarHBondContact O-N 2.75Å
159D95.3Very high95.5Very high16 Ų1610 Ų109%0.0866%0.055CC..Hα-helixtrans-70.1-43178.5-75.8-10.3000112.8N84 T155 T156 A157 A161 K162 L163 K432 A435N84-D159 PolarHBondContact ND2-N 2.9Å; N84-D159 PolarHBondContact ND2-OD1 3.47Å; T155-D159 PolarHBondContact O-N 3.02Å; T155-D159 VanDerWaalsContact O-N 3.09Å; T156-D159 PolarHBondContact O-N 3.21Å; A157-D159 VanDerWaalsContact C-N 3.34Å; A157-D159 PolarHBondContact O-N 2.96Å; D159-A161 VanDerWaalsContact C-N 3.35Å; D159-K162 WeakPolarHBondContact O-CB 3.25Å; D159-K162 PolarHBondContact O-N 3.08Å; D159-L163 WeakPolarHBondContact O-CG 3.25Å; D159-L163 PolarHBondContact O-N 3.15Å; D159-L163 VanDerWaalsContact O-N 3.08Å; D159-K432 IonicContact OD1-NZ 3.64Å; D159-K432 PolarHBondContact OD1-NZ 3.05Å; D159-K432 WeakPolarHBondContact OD2-CD 3.29Å; D159-K432 WeakPolarHBondContact OD2-CE 3.43Å; D159-K432 IonicContact OD2-NZ 2.79Å; D159-K432 PolarHBondContact OD2-NZ 3.13Å; D159-A435 HydrophobicContact CB-CB 3.68Å
160L95.7Very high95.5Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-64.6-39.5175.5-73.4174.1000111.7V144 T156 A157 K162 L163 G164 Y165 V167 A435 I438V144-L160 HydrophobicContact CB-CD1 4.02Å; V144-L160 HydrophobicContact CG1-CD1 3.65Å; V144-L160 HydrophobicContact CG2-CD1 4.17Å; T156-L160 HydrophobicContact CG2-CD1 3.73Å; T156-L160 HydrophobicContact CG2-CG 4.3Å; T156-L160 WeakPolarHBondContact O-CB 3.5Å; T156-L160 WeakPolarHBondContact O-CG 3.29Å; T156-L160 PolarHBondContact O-N 3.03Å; A157-L160 PolarHBondContact O-N 2.9Å; L160-K162 PolarHBondContact O-N 3.36Å; L160-L163 HydrophobicContact CD2-CD1 4.48Å; L160-L163 CarbonylContact O-C 3.58Å; L160-L163 WeakPolarHBondContact O-CA 3.37Å; L160-L163 WeakPolarHBondContact O-CB 2.95Å; L160-L163 PolarHBondContact O-N 3.25Å; L160-G164 PolarHBondContact O-N 3.45Å; L160-Y165 HydrophobicContact CB-CD2 4.17Å; L160-Y165 HydrophobicContact CD2-CD2 3.73Å; L160-Y165 HydrophobicContact CD2-CE2 3.97Å; L160-Y165 HydrophobicContact CD2-CG 4.43Å; L160-Y165 WeakPolarHBondContact O-CD2 3.42Å; L160-Y165 PolarHBondContact O-N 3.18Å; L160-Y165 VanDerWaalsContact O-N 3.13Å; L160-V167 HydrophobicContact CB-CG2 3.64Å; L160-A435 HydrophobicContact CD2-CB 4.28Å; L160-A435 WeakPolarHBondContact CD2-O 3.33Å; L160-A435 HydrophobicContact CG-CB 4.08Å; L160-I438 HydrophobicContact CD1-CD1 4.23Å; L160-I438 HydrophobicContact CD1-CG2 4.17Å; L160-I438 HydrophobicContact CD2-CB 4.18Å; L160-I438 HydrophobicContact CD2-CG2 3.86Å
161A93.9Very high95.6Very high1 Ų110.7 Ų10.71%0.0085%0.054CC..Hα-helixtrans-60.9-44.217400000111.7V137 A157 D159 L163 G164 V167 V206V137-A161 WeakPolarHBondContact CG1-O 3.25Å; A157-A161 WeakPolarHBondContact O-CB 3.44Å; A157-A161 PolarHBondContact O-N 3.38Å; D159-A161 VanDerWaalsContact C-N 3.35Å; A161-L163 PolarHBondContact O-N 3.22Å; A161-G164 PolarHBondContact O-N 3.16Å; A161-V167 HydrophobicContact CB-CG2 4.5Å; A161-V206 HydrophobicContact CB-CG2 3.55Å
162K90.9Very high95.5Very high82 Ų8212.8 Ų12.836%0.3577%0.072SC..Hα-helixtrans-60.9-25.7173.1-71.8172.8-168.9174.50113.6G80 N84 G158 D159 L160G80-K162 PolarHBondContact O-NZ 3.37Å; N84-K162 VanDerWaalsContact OD1-CE 3.27Å; N84-K162 WeakPolarHBondContact OD1-CE 3.39Å; N84-K162 PolarHBondContact OD1-NZ 3.13Å; G158-K162 VanDerWaalsContact O-CG 3.3Å; G158-K162 WeakPolarHBondContact O-CG 3.48Å; G158-K162 PolarHBondContact O-N 2.75Å; D159-K162 WeakPolarHBondContact O-CB 3.25Å; D159-K162 PolarHBondContact O-N 3.08Å; L160-K162 PolarHBondContact O-N 3.36Å
163L91.1Very high95.3Very high42 Ų4215 Ų1522%0.228%0.084CC..Hα-helixtrans-81.9-13.6176-69.9171.3000113.2K141 D159 L160 A161 Y165 D439K141-L163 WeakPolarHBondContact CD-O 3.24Å; K141-L163 WeakPolarHBondContact CE-O 3.34Å; K141-L163 PolarHBondContact NZ-O 3.19Å; D159-L163 WeakPolarHBondContact O-CG 3.25Å; D159-L163 PolarHBondContact O-N 3.15Å; D159-L163 VanDerWaalsContact O-N 3.08Å; L160-L163 HydrophobicContact CD2-CD1 4.48Å; L160-L163 CarbonylContact O-C 3.58Å; L160-L163 WeakPolarHBondContact O-CA 3.37Å; L160-L163 WeakPolarHBondContact O-CB 2.95Å; L160-L163 PolarHBondContact O-N 3.25Å; A161-L163 PolarHBondContact O-N 3.22Å; L163-Y165 HydrophobicContact CB-CD2 4Å; L163-Y165 HydrophobicContact CB-CE2 4.07Å; L163-D439 HydrophobicContact CD1-CB 3.89Å
164G90.6Very high95.1Very high8 Ų820.3 Ų20.38%0.08211%0.108CC..THydrogen-bonded Turntrans102.323.1178.200000115N138 S139 D140 K141 L160 A161N138-G164 WeakPolarHBondContact O-CA 3.42Å; S139-G164 CarbonylContact C-O 3.43Å; S139-G164 VanDerWaalsContact CA-O 3.3Å; S139-G164 WeakPolarHBondContact CA-O 3.45Å; D140-G164 PolarHBondContact N-O 3.18Å; K141-G164 WeakPolarHBondContact CB-O 3.48Å; K141-G164 PolarHBondContact N-O 3.03Å; K141-G164 VanDerWaalsContact N-O 3.11Å; L160-G164 PolarHBondContact O-N 3.45Å; A161-G164 PolarHBondContact O-N 3.16Å
165Y93.9Very high94.9Very high3 Ų321.4 Ų21.41%0.01212%0.117CC..  trans-91145.7173.8-68.5-82.8000111.8K141 G142 V144 L160 L163 V167 D439 I442K141-Y165 HydrophobicContact CB-CD1 3.71Å; K141-Y165 HydrophobicContact CB-CD2 4.22Å; K141-Y165 HydrophobicContact CB-CE1 3.5Å; K141-Y165 HydrophobicContact CB-CE2 4.05Å; K141-Y165 HydrophobicContact CB-CG 4.05Å; K141-Y165 HydrophobicContact CD-CD2 4.27Å; K141-Y165 HydrophobicContact CD-CE1 4.44Å; K141-Y165 HydrophobicContact CD-CE2 3.67Å; K141-Y165 WeakPolarHBondContact O-CE1 2.99Å; G142-Y165 WeakPolarHBondContact O-CA 3.29Å; V144-Y165 HydrophobicContact CG2-CD1 3.91Å; V144-Y165 HydrophobicContact CG2-CG 4.21Å; L160-Y165 HydrophobicContact CB-CD2 4.17Å; L160-Y165 HydrophobicContact CD2-CD2 3.73Å; L160-Y165 HydrophobicContact CD2-CE2 3.97Å; L160-Y165 HydrophobicContact CD2-CG 4.43Å; L160-Y165 WeakPolarHBondContact O-CD2 3.42Å; L160-Y165 PolarHBondContact O-N 3.18Å; L160-Y165 VanDerWaalsContact O-N 3.13Å; L163-Y165 HydrophobicContact CB-CD2 4Å; L163-Y165 HydrophobicContact CB-CE2 4.07Å; Y165-V167 PolarHBondContact O-N 3.38Å; Y165-D439 HydrophobicContact CE2-CB 4.09Å; Y165-D439 WeakPolarHBondContact CE2-OD1 3.23Å; Y165-D439 WeakPolarHBondContact OH-CA 3.46Å; Y165-D439 PolarHBondContact OH-O 3.31Å; Y165-D439 PolarHBondContact OH-OD1 3.35Å; Y165-I442 HydrophobicContact CD1-CD1 3.97Å; Y165-I442 HydrophobicContact CE1-CB 4.08Å; Y165-I442 HydrophobicContact CE1-CD1 3.4Å; Y165-I442 VanDerWaalsContact CE1-CD1 3.4Å; Y165-I442 HydrophobicContact CE1-CG1 4.34Å; Y165-I442 HydrophobicContact CE1-CG2 3.94Å
166D94.6Very high94.9Very high28 Ų2823 Ų2315%0.1513%0.128CC..EExtended strand (participates in β ladder)trans-78.8105164.6-176.32.7000108.3G142 R143 V144 K207G142-D166 PolarHBondContact O-N 3.23Å; R143-D166 CarbonylContact C-O 3.32Å; R143-D166 VanDerWaalsContact CA-O 3.27Å; R143-D166 WeakPolarHBondContact CA-O 3.27Å; R143-D166 HydrophobicContact CG-CB 4.16Å; V144-D166 PolarHBondContact N-O 3.45Å; D166-K207 VanDerWaalsContact CG-NZ 3.26Å; D166-K207 WeakPolarHBondContact OD1-CE 3.4Å; D166-K207 IonicContact OD1-NZ 2.75Å; D166-K207 PolarHBondContact OD1-NZ 2.99Å; D166-K207 IonicContact OD2-NZ 3.27Å; D166-K207 PolarHBondContact OD2-NZ 3.42Å
167V97.3Very high94.7Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-106.2126.4-174.6-171.90000110.7V144 V146 A157 L160 A161 Y165 V206 K207V144-V167 WeakPolarHBondContact O-CA 3.34Å; V146-V167 HydrophobicContact CG2-CG1 3.76Å; A157-V167 HydrophobicContact CB-CG1 3.79Å; L160-V167 HydrophobicContact CB-CG2 3.64Å; A161-V167 HydrophobicContact CB-CG2 4.5Å; Y165-V167 PolarHBondContact O-N 3.38Å; V167-V206 HydrophobicContact CB-CG2 4.45Å; V167-K207 PolarHBondContact O-N 3.3Å
168T97.8Very high94.5Very high5 Ų523.4 Ų23.43%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-113.8121.8171.8-54.70000109.8V144 A145 V146 Y170 K207 E209 F227V144-T168 PolarHBondContact O-N 2.94Å; A145-T168 WeakPolarHBondContact CA-O 3.36Å; V146-T168 PolarHBondContact N-O 2.86Å; T168-Y170 HydrophobicContact CG2-CE1 4.02Å; T168-Y170 HydrophobicContact CG2-CE2 4.09Å; T168-K207 CarbonylContact C-O 2.93Å; T168-K207 WeakPolarHBondContact CA-O 3.42Å; T168-E209 HydrophobicContact CG2-CG 4.33Å; T168-F227 HydrophobicContact CG2-CZ 4.45Å
169V98.4Very high94.4Very high0 Ų025.7 Ų25.70%015%0.146CC..EExtended strand (participates in β ladder)trans-99.5121.3176.9-175.40000109.1V146 A157 V206 K207 I208 E209V146-V169 HydrophobicContact CB-CB 4.5Å; V146-V169 HydrophobicContact CB-CG1 4.49Å; V146-V169 HydrophobicContact CB-CG2 4.08Å; V146-V169 HydrophobicContact CG1-CG1 4.3Å; V146-V169 HydrophobicContact CG1-CG2 4.39Å; V146-V169 CarbonylContact O-C 3.49Å; V146-V169 WeakPolarHBondContact O-CA 3.46Å; A157-V169 HydrophobicContact CB-CG2 3.62Å; V169-V206 HydrophobicContact CG2-CG1 3.58Å; V169-K207 PolarHBondContact N-O 3.1Å; V169-I208 HydrophobicContact CB-CB 4.5Å; V169-I208 HydrophobicContact CB-CG1 4.12Å; V169-I208 HydrophobicContact CB-CG2 4.38Å; V169-I208 HydrophobicContact CG2-CG1 4.34Å; V169-I208 CarbonylContact O-C 3.48Å; V169-I208 WeakPolarHBondContact O-CA 3.47Å; V169-E209 PolarHBondContact O-N 2.86Å
170Y97.7Very high94.4Very high13 Ų1325 Ų255%0.05114%0.142CC..EExtended strand (participates in β ladder)trans-96.6122.2173.8-63.2-72.3000110.4A145 V146 G148 T168 E209 V212 V214 I223 F227A145-Y170 HydrophobicContact CB-CD2 4.49Å; A145-Y170 HydrophobicContact CB-CE2 4.12Å; V146-Y170 PolarHBondContact O-N 3.08Å; G148-Y170 WeakPolarHBondContact CA-O 3.15Å; G148-Y170 PolarHBondContact N-O 2.85Å; T168-Y170 HydrophobicContact CG2-CE1 4.02Å; T168-Y170 HydrophobicContact CG2-CE2 4.09Å; Y170-E209 HydrophobicContact CD1-CB 4.06Å; Y170-E209 HydrophobicContact CE1-CB 4.36Å; Y170-E209 WeakPolarHBondContact CE1-OE2 3.46Å; Y170-V212 HydrophobicContact CD1-CB 4Å; Y170-V212 HydrophobicContact CD1-CG1 3.66Å; Y170-V212 HydrophobicContact CD1-CG2 4.14Å; Y170-V212 HydrophobicContact CE1-CG1 4.38Å; Y170-V212 HydrophobicContact CG-CG1 4.26Å; Y170-V214 HydrophobicContact CG-CG2 4.3Å; Y170-I223 HydrophobicContact CD2-CD1 4.16Å; Y170-I223 HydrophobicContact CE2-CD1 4.15Å; Y170-I223 HydrophobicContact CE2-CG1 4.47Å; Y170-F227 HydrophobicContact CE2-CE2 4.15Å; Y170-F227 HydrophobicContact CE2-CZ 4.16Å; Y170-F227 WeakPolarHBondContact OH-CE2 3.32Å; Y170-F227 WeakPolarHBondContact OH-CZ 3.41Å
171E96.1Very high94.4Very high13 Ų1325.7 Ų25.76%0.06115%0.146CC..  trans-118.4130.2178.7175.153.2-119.100110.8S149 L173 E209 T210 N211 V212S149-E171 VanDerWaalsContact CB-OE2 3.31Å; S149-E171 WeakPolarHBondContact CB-OE2 3.36Å; S149-E171 PolarHBondContact N-OE2 2.94Å; S149-E171 VanDerWaalsContact OG-CD 3.29Å; S149-E171 WeakPolarHBondContact OG-CG 3.25Å; S149-E171 PolarHBondContact OG-OE2 3.3Å; E171-L173 HydrophobicContact CG-CB 4.19Å; E171-L173 WeakPolarHBondContact OE1-CB 3.37Å; E171-L173 WeakPolarHBondContact OE1-CG 3.17Å; E171-L173 PolarHBondContact OE1-N 2.79Å; E171-E209 PolarHBondContact N-O 3.45Å; E171-T210 HydrophobicContact CB-CG2 4.34Å; E171-T210 HydrophobicContact CG-CG2 4.48Å; E171-T210 CarbonylContact O-C 3.51Å; E171-T210 WeakPolarHBondContact O-CA 3.42Å; E171-N211 PolarHBondContact O-N 3.45Å; E171-V212 CarbonylContact C-O 3.6Å; E171-V212 PolarHBondContact O-N 2.79Å
172A93.9Very high94.3Very high52 Ų5227.8 Ų27.843%0.4315%0.154SC..SBendtrans-72.2-33-179.800000112.6V212 V213A172-V212 WeakPolarHBondContact CA-O 3.39Å; A172-V212 PolarHBondContact N-O 2.93Å; A172-V213 HydrophobicContact CB-CG2 4.16Å
173L92.9Very high94.3Very high52 Ų5224.3 Ų24.327%0.27214%0.141SC..SBendtrans-78.8162.1177.3-60.2175.9000111.9E171 A175 Y182 T210 N211 L264E171-L173 HydrophobicContact CG-CB 4.19Å; E171-L173 WeakPolarHBondContact OE1-CB 3.37Å; E171-L173 WeakPolarHBondContact OE1-CG 3.17Å; E171-L173 PolarHBondContact OE1-N 2.79Å; L173-A175 PolarHBondContact O-N 2.86Å; L173-Y182 HydrophobicContact CD1-CD1 3.74Å; L173-Y182 HydrophobicContact CD1-CE1 4.46Å; L173-T210 VanDerWaalsContact O-CB 3.3Å; L173-T210 WeakPolarHBondContact O-CB 3.44Å; L173-N211 PolarHBondContact O-N 2.93Å; L173-L264 HydrophobicContact CD1-CD2 4.16Å; L173-L264 HydrophobicContact CD2-CD2 4.2Å
174H91.6Very high94.5Very high111 Ų11122.9 Ų22.951%0.51413%0.134SC..SBendtrans-73.1-9.817566.5-89000113.5N211H174-N211 VanDerWaalsContact CA-OD1 3.3Å; H174-N211 WeakPolarHBondContact CA-OD1 3.33Å; H174-N211 VanDerWaalsContact CB-OD1 3.3Å; H174-N211 WeakPolarHBondContact CB-OD1 3.37Å
175A93.8Very high94.7Very high23 Ų2322.5 Ų22.519%0.1913%0.13CC..SBendtrans-134.8136.1178.600000110.3L173 T181 L264L173-A175 PolarHBondContact O-N 2.86Å; A175-T181 HydrophobicContact CB-CG2 4.3Å; A175-L264 HydrophobicContact CB-CD1 4.04Å
176P96.4Very high94.7Very high35 Ų3523.9 Ų23.923%0.22714%0.137CC..SBendtrans-76.5169.8179.833.1-35.9000113.1S149 T181 I198 I208S149-P176 WeakPolarHBondContact OG-CA 3.31Å; S149-P176 WeakPolarHBondContact OG-CB 3.41Å; P176-T181 PolarHBondContact O-OG1 3.39Å; P176-I198 HydrophobicContact CB-CD1 4.05Å; P176-I198 HydrophobicContact CB-CG2 4.42Å; P176-I198 HydrophobicContact CG-CD1 3.96Å; P176-I198 HydrophobicContact CG-CG2 3.99Å; P176-I208 HydrophobicContact CB-CD1 4.49Å; P176-I208 HydrophobicContact CB-CG2 4.03Å
177G95Very high94.7Very high0 Ų022.7 Ų22.70%013%0.13CC..SBendtrans109.3-10.3177.800000114.3S149 V179 L180 T181S149-G177 CarbonylContact O-C 3.52Å; S149-G177 WeakPolarHBondContact O-CA 3.26Å; S149-G177 PolarHBondContact O-N 2.92Å; S149-G177 PolarHBondContact OG-N 3.38Å; G177-V179 PolarHBondContact O-N 3.42Å; G177-L180 VanDerWaalsContact O-CB 3.25Å; G177-L180 WeakPolarHBondContact O-CB 3.24Å; G177-L180 WeakPolarHBondContact O-CG 2.9Å; G177-L180 PolarHBondContact O-N 3.27Å; G177-T181 WeakPolarHBondContact CA-OG1 3.47Å
178G93.8Very high94.6Very high7 Ų723.5 Ų23.57%0.07213%0.133CC..THydrogen-bonded Turntrans50.2-125.9-179.900000112.1S149 L180 T181 Y182S149-G178 PolarHBondContact O-N 2.78Å; G178-L180 PolarHBondContact O-N 3.36Å; G178-L180 VanDerWaalsContact O-N 3.11Å; G178-T181 PolarHBondContact O-N 3.1Å; G178-Y182 WeakPolarHBondContact O-CD1 3.13Å; G178-Y182 WeakPolarHBondContact O-CE1 3.48Å; G178-Y182 PolarHBondContact O-N 3Å
179V92.3Very high94.5Very high49 Ų4923.2 Ų23.230%0.29713%0.132SC..Hα-helixtrans-59.4-23.8-177.672.10000113.6P151 G177 T181 Y182 G183 I184P151-V179 HydrophobicContact CG-CG1 3.97Å; G177-V179 PolarHBondContact O-N 3.42Å; V179-T181 PolarHBondContact O-N 2.94Å; V179-Y182 HydrophobicContact CB-CE1 4.26Å; V179-Y182 HydrophobicContact CG2-CE2 4.41Å; V179-Y182 VanDerWaalsContact N-CE1 3.3Å; V179-G183 CarbonylContact O-C 3.52Å; V179-G183 WeakPolarHBondContact O-CA 3.5Å; V179-G183 PolarHBondContact O-N 3.08Å; V179-I184 PolarHBondContact O-N 2.75Å; V179-I184 VanDerWaalsContact O-N 3.09Å
180L95.1Very high94.3Very high0 Ų023.6 Ų23.60%013%0.134CC..Hα-helixtrans-66-29.3175-54.4175.3000112L85 I88 P151 G177 G178 I184 L189 K191 V194 V424L85-L180 HydrophobicContact CD1-CD1 4.44Å; I88-L180 HydrophobicContact CD1-CD1 3.74Å; I88-L180 HydrophobicContact CG1-CD1 4.46Å; I88-L180 HydrophobicContact CG2-CD1 4.36Å; I88-L180 HydrophobicContact CG2-CD2 3.7Å; P151-L180 HydrophobicContact CB-CD1 4.49Å; P151-L180 HydrophobicContact CG-CD1 4.08Å; P151-L180 HydrophobicContact CG-CD2 3.9Å; P151-L180 HydrophobicContact CG-CG 3.86Å; G177-L180 VanDerWaalsContact O-CB 3.25Å; G177-L180 WeakPolarHBondContact O-CB 3.24Å; G177-L180 WeakPolarHBondContact O-CG 2.9Å; G177-L180 PolarHBondContact O-N 3.27Å; G178-L180 PolarHBondContact O-N 3.36Å; G178-L180 VanDerWaalsContact O-N 3.11Å; L180-I184 HydrophobicContact CD2-CD1 3.97Å; L180-L189 HydrophobicContact CB-CD2 4.05Å; L180-L189 HydrophobicContact CD2-CD2 3.93Å; L180-K191 PolarHBondContact O-NZ 2.79Å; L180-V194 HydrophobicContact CB-CG1 3.98Å; L180-V194 HydrophobicContact CB-CG2 4.22Å; L180-V424 HydrophobicContact CD2-CG1 4.05Å; L180-V424 HydrophobicContact CD2-CG2 4.03Å
181T94.5Very high94.2Very high15 Ų1524 Ų249%0.09214%0.136CC..Hα-helixtrans-97.3-47.7-176-53.60000111.7A175 P176 G177 G178 V179 K191 N263 L264A175-T181 HydrophobicContact CB-CG2 4.3Å; P176-T181 PolarHBondContact O-OG1 3.39Å; G177-T181 WeakPolarHBondContact CA-OG1 3.47Å; G178-T181 PolarHBondContact O-N 3.1Å; V179-T181 PolarHBondContact O-N 2.94Å; T181-K191 HydrophobicContact CG2-CD 4.26Å; T181-K191 WeakPolarHBondContact O-CE 3.49Å; T181-N263 WeakPolarHBondContact O-CB 3.44Å; T181-L264 HydrophobicContact CG2-CD1 3.77Å
182Y92.6Very high94.1Very high45 Ų4530.4 Ų30.418%0.17616%0.159CC..Hα-helixtrans-91.6-27.1-178.675.8-103.6000113.9L173 G178 V179 L259 T260 N263L173-Y182 HydrophobicContact CD1-CD1 3.74Å; L173-Y182 HydrophobicContact CD1-CE1 4.46Å; G178-Y182 WeakPolarHBondContact O-CD1 3.13Å; G178-Y182 WeakPolarHBondContact O-CE1 3.48Å; G178-Y182 PolarHBondContact O-N 3Å; V179-Y182 HydrophobicContact CB-CE1 4.26Å; V179-Y182 HydrophobicContact CG2-CE2 4.41Å; V179-Y182 VanDerWaalsContact N-CE1 3.3Å; Y182-L259 CarbonylContact O-C 3.57Å; Y182-T260 WeakPolarHBondContact CD2-OG1 3.46Å; Y182-T260 PolarHBondContact O-N 2.67Å; Y182-N263 PolarHBondContact O-ND2 3.39Å; Y182-N263 VanDerWaalsContact O-ND2 3.09Å
183G91.4Very high94.1Very high9 Ų928 Ų289%0.09314%0.139CC..THydrogen-bonded Turntrans-96.5-44.6-167.500000114.5V179 N263V179-G183 CarbonylContact O-C 3.52Å; V179-G183 WeakPolarHBondContact O-CA 3.5Å; V179-G183 PolarHBondContact O-N 3.08Å; G183-N263 PolarHBondContact O-ND2 3.38Å
184I94.3Very high94.3Very high12 Ų1225.6 Ų25.66%0.06213%0.127CC..SBendtrans-93.1126.2-173-53.2177.3000110.1V92 V179 L180 R188 L189 K191 V424V92-I184 HydrophobicContact CB-CD1 4.45Å; V92-I184 HydrophobicContact CG1-CD1 4.06Å; V92-I184 HydrophobicContact CG1-CG2 4.36Å; V179-I184 PolarHBondContact O-N 2.75Å; V179-I184 VanDerWaalsContact O-N 3.09Å; L180-I184 HydrophobicContact CD2-CD1 3.97Å; I184-R188 HydrophobicContact CG2-CB 3.96Å; I184-L189 HydrophobicContact CB-CB 4.31Å; I184-L189 HydrophobicContact CB-CD2 4.39Å; I184-L189 HydrophobicContact CD1-CD2 4.09Å; I184-L189 HydrophobicContact CG2-CB 3.65Å; I184-L189 HydrophobicContact CG2-CD2 4.43Å; I184-K191 WeakPolarHBondContact O-CE 3.45Å; I184-K191 PolarHBondContact O-NZ 3.34Å; I184-V424 HydrophobicContact CD1-CG2 4.1Å
185P95Very high94.5Very high0 Ų026.7 Ų26.70%013%0.13CC..  trans-66.7156.4-178.7-24.235.3000116.2F187 R188 L189 L259 N263 D294 S298P185-F187 VanDerWaalsContact C-N 3.28Å; P185-F187 HydrophobicContact CB-CD1 3.57Å; P185-F187 HydrophobicContact CB-CE1 3.19Å; P185-F187 HydrophobicContact CB-CE2 4.34Å; P185-F187 HydrophobicContact CB-CG 4.29Å; P185-F187 HydrophobicContact CB-CZ 3.61Å; P185-F187 HydrophobicContact CG-CE1 3.71Å; P185-F187 HydrophobicContact CG-CZ 3.71Å; P185-F187 PolarHBondContact O-N 3.47Å; P185-R188 PolarHBondContact O-N 3.26Å; P185-R188 VanDerWaalsContact O-N 3.09Å; P185-L189 PolarHBondContact O-N 2.88Å; P185-L259 HydrophobicContact CG-CD2 4.17Å; P185-N263 VanDerWaalsContact CA-OD1 3.3Å; P185-N263 WeakPolarHBondContact CA-OD1 3.27Å; P185-D294 VanDerWaalsContact CD-CG 3.41Å; P185-D294 HydrophobicContact CG-CB 3.71Å; P185-S298 WeakPolarHBondContact CG-OG 3.44Å
186E94.6Very high94.5Very high33 Ų3328.5 Ų28.515%0.15414%0.135CC..THydrogen-bonded Turntrans-50.7-42.4176.8-79.8-77174.600113F23 R188 L189 P190 K191F23-E186 HydrophobicContact CB-CB 4.21Å; F23-E186 CarbonylContact O-C 3.56Å; F23-E186 WeakPolarHBondContact O-CB 3.33Å; E186-R188 PolarHBondContact O-N 2.77Å; E186-R188 VanDerWaalsContact O-N 3.1Å; E186-L189 CarbonylContact O-C 3.48Å; E186-L189 PolarHBondContact O-N 2.85Å; E186-P190 WeakPolarHBondContact O-CD 3.45Å; E186-P190 WeakPolarHBondContact OE2-CA 3.42Å; E186-K191 HydrophobicContact CG-CG 4.26Å; E186-K191 WeakPolarHBondContact OE1-CB 3.36Å; E186-K191 WeakPolarHBondContact OE1-CG 3.38Å; E186-K191 PolarHBondContact OE1-N 3.43Å; E186-K191 PolarHBondContact OE2-N 3.49Å
187F94.8Very high94.5Very high2 Ų227 Ų271%0.00913%0.125CC..THydrogen-bonded Turntrans-67.2-14.9-176.963.5-100.7000114.2F23 D24 E25 V26 P185 R297 R301F23-F187 AromaticContact CD1-CD1 3.94Å; F23-F187 HydrophobicContact CD1-CD1 3.94Å; F23-F187 HydrophobicContact CD1-CE1 4.46Å; F23-F187 HydrophobicContact CE1-CD1 4.27Å; F23-F187 HydrophobicContact CE1-CE1 4.35Å; F23-F187 WeakPolarHBondContact O-CA 3.38Å; F23-F187 PolarHBondContact O-N 2.99Å; F23-F187 VanDerWaalsContact O-N 3.14Å; D24-F187 WeakPolarHBondContact O-CA 3.43Å; D24-F187 VanDerWaalsContact O-CB 3.24Å; D24-F187 WeakPolarHBondContact O-CB 3.46Å; E25-F187 WeakPolarHBondContact CA-O 3.37Å; V26-F187 HydrophobicContact CG2-CB 4.19Å; V26-F187 HydrophobicContact CG2-CD2 4.23Å; V26-F187 PolarHBondContact N-O 3.13Å; P185-F187 VanDerWaalsContact C-N 3.28Å; P185-F187 HydrophobicContact CB-CD1 3.57Å; P185-F187 HydrophobicContact CB-CE1 3.19Å; P185-F187 HydrophobicContact CB-CE2 4.34Å; P185-F187 HydrophobicContact CB-CG 4.29Å; P185-F187 HydrophobicContact CB-CZ 3.61Å; P185-F187 HydrophobicContact CG-CE1 3.71Å; P185-F187 HydrophobicContact CG-CZ 3.71Å; P185-F187 PolarHBondContact O-N 3.47Å; F187-R297 HydrophobicContact CE1-CB 4.36Å; F187-R297 HydrophobicContact CE2-CB 3.97Å; F187-R297 HydrophobicContact CZ-CB 3.56Å; F187-R301 VanDerWaalsContact CD1-CD 3.42Å
188R94.2Very high94.5Very high17 Ų1727.6 Ų27.66%0.06413%0.128CC..THydrogen-bonded Turntrans-105.3-41.5172.7-66.4-179.369.1-150.4-0.9112.5I184 P185 E186 D294 E324I184-R188 HydrophobicContact CG2-CB 3.96Å; P185-R188 PolarHBondContact O-N 3.26Å; P185-R188 VanDerWaalsContact O-N 3.09Å; E186-R188 PolarHBondContact O-N 2.77Å; E186-R188 VanDerWaalsContact O-N 3.1Å; R188-D294 WeakPolarHBondContact CD-OD1 3.49Å; R188-D294 IonicContact CZ-OD1 2.64Å; R188-D294 IonicContact NE-OD1 3.27Å; R188-D294 IonicContact NH1-OD1 2.74Å; R188-D294 PolarHBondContact NH1-OD1 3.33Å; R188-D294 IonicContact NH1-OD2 3.5Å; R188-D294 PolarHBondContact NH1-OD2 3.5Å; R188-E324 WeakPolarHBondContact CD-OE2 3.26Å; R188-E324 VanDerWaalsContact CZ-CD 3.45Å; R188-E324 IonicContact CZ-OE1 2.75Å; R188-E324 IonicContact CZ-OE2 3.54Å; R188-E324 IonicContact NE-OE1 3.79Å; R188-E324 PolarHBondContact NE-OE1 2.82Å; R188-E324 IonicContact NE-OE2 3.75Å; R188-E324 PolarHBondContact NE-OE2 2.98Å; R188-E324 IonicContact NH2-OE1 3.56Å; R188-E324 PolarHBondContact NH2-OE1 3.37Å
189L95.6Very high94.6Very high0 Ų030.9 Ų30.90%014%0.141CC..SBendtrans-139.795.9-177.3-178.560.3000109.3I88 R91 V92 L180 I184 P185 E186 K191 V194I88-L189 HydrophobicContact CB-CD1 4.44Å; I88-L189 HydrophobicContact CG1-CD1 3.92Å; I88-L189 HydrophobicContact CG1-CD2 4.31Å; I88-L189 HydrophobicContact CG2-CD2 4.25Å; R91-L189 HydrophobicContact CB-CD1 4.45Å; V92-L189 HydrophobicContact CG1-CB 4.19Å; V92-L189 HydrophobicContact CG1-CD2 4.24Å; L180-L189 HydrophobicContact CB-CD2 4.05Å; L180-L189 HydrophobicContact CD2-CD2 3.93Å; I184-L189 HydrophobicContact CB-CB 4.31Å; I184-L189 HydrophobicContact CB-CD2 4.39Å; I184-L189 HydrophobicContact CD1-CD2 4.09Å; I184-L189 HydrophobicContact CG2-CB 3.65Å; I184-L189 HydrophobicContact CG2-CD2 4.43Å; P185-L189 PolarHBondContact O-N 2.88Å; E186-L189 CarbonylContact O-C 3.48Å; E186-L189 PolarHBondContact O-N 2.85Å; L189-K191 PolarHBondContact O-N 2.79Å; L189-K191 PolarHBondContact O-NZ 2.74Å; L189-V194 HydrophobicContact CD1-CG2 4.11Å; L189-V194 HydrophobicContact CD2-CG2 3.68Å; L189-V194 HydrophobicContact CG-CG2 3.64Å
190P95.1Very high94.6Very high7 Ų730 Ų305%0.04513%0.133CC..  trans-62.6134.8-177.3-24.232.9000111.9E25 E186 R192 I193 V194E25-P190 HydrophobicContact CB-CG 4.05Å; E25-P190 HydrophobicContact CG-CG 4.04Å; E186-P190 WeakPolarHBondContact O-CD 3.45Å; E186-P190 WeakPolarHBondContact OE2-CA 3.42Å; P190-R192 HydrophobicContact CB-CG 4.08Å; P190-R192 PolarHBondContact O-N 2.89Å; P190-I193 HydrophobicContact CB-CG1 4.05Å; P190-I193 HydrophobicContact CG-CG1 4.32Å; P190-I193 WeakPolarHBondContact O-CB 3.39Å; P190-I193 PolarHBondContact O-N 3.25Å; P190-V194 PolarHBondContact O-N 3.3Å
191K94.4Very high94.5Very high23 Ų2330 Ų3010%0.113%0.133CC..Hα-helixtrans-68.1-26.8-173.2-59.6-74.4156.6-91.60112.1L180 T181 I184 E186 L189 I193 V194 K195L180-K191 PolarHBondContact O-NZ 2.79Å; T181-K191 HydrophobicContact CG2-CD 4.26Å; T181-K191 WeakPolarHBondContact O-CE 3.49Å; I184-K191 WeakPolarHBondContact O-CE 3.45Å; I184-K191 PolarHBondContact O-NZ 3.34Å; E186-K191 HydrophobicContact CG-CG 4.26Å; E186-K191 WeakPolarHBondContact OE1-CB 3.36Å; E186-K191 WeakPolarHBondContact OE1-CG 3.38Å; E186-K191 PolarHBondContact OE1-N 3.43Å; E186-K191 PolarHBondContact OE2-N 3.49Å; L189-K191 PolarHBondContact O-N 2.79Å; L189-K191 PolarHBondContact O-NZ 2.74Å; K191-I193 PolarHBondContact O-N 2.93Å; K191-V194 PolarHBondContact O-N 3.31Å; K191-K195 WeakPolarHBondContact O-CB 3.27Å; K191-K195 PolarHBondContact O-N 3.05Å
192R94.5Very high94.6Very high146 Ų14632.2 Ų32.255%0.55115%0.146SC*.Hα-helixtrans-55.2-39.7169.171.1-179.5175.481.33.9112.3P190 K195 Q196P190-R192 HydrophobicContact CB-CG 4.08Å; P190-R192 PolarHBondContact O-N 2.89Å; R192-K195 PolarHBondContact O-N 3.07Å; R192-Q196 VanDerWaalsContact O-CG 3.26Å; R192-Q196 WeakPolarHBondContact O-CG 3.3Å; R192-Q196 PolarHBondContact O-N 2.99Å; R192-Q196 PolarHBondContact O-OE1 3Å
193I94.9Very high94.5Very high2 Ų230.2 Ų30.21%0.0114%0.139CC..Hα-helixtrans-70.1-44.5-179.5-61-67.3000109.9A87 L128 P190 K191 K195 Q196 E197A87-I193 HydrophobicContact CB-CG2 3.51Å; L128-I193 HydrophobicContact CD1-CD1 3.51Å; L128-I193 HydrophobicContact CD1-CG2 4.13Å; P190-I193 HydrophobicContact CB-CG1 4.05Å; P190-I193 HydrophobicContact CG-CG1 4.32Å; P190-I193 WeakPolarHBondContact O-CB 3.39Å; P190-I193 PolarHBondContact O-N 3.25Å; K191-I193 PolarHBondContact O-N 2.93Å; I193-K195 VanDerWaalsContact C-N 3.3Å; I193-K195 PolarHBondContact O-N 3.21Å; I193-Q196 PolarHBondContact O-N 3.14Å; I193-E197 PolarHBondContact O-N 2.79Å
194V96Very high94.4Very high2 Ų231.5 Ų31.51%0.01214%0.142CC..Hα-helixtrans-57.6-46.5175.7-177.50000110.3L180 L189 P190 K191 E197 I198L180-V194 HydrophobicContact CB-CG1 3.98Å; L180-V194 HydrophobicContact CB-CG2 4.22Å; L189-V194 HydrophobicContact CD1-CG2 4.11Å; L189-V194 HydrophobicContact CD2-CG2 3.68Å; L189-V194 HydrophobicContact CG-CG2 3.64Å; P190-V194 PolarHBondContact O-N 3.3Å; K191-V194 PolarHBondContact O-N 3.31Å; V194-E197 PolarHBondContact O-N 3.18Å; V194-I198 HydrophobicContact CG1-CD1 3.79Å; V194-I198 VanDerWaalsContact O-CG1 3.25Å; V194-I198 WeakPolarHBondContact O-CG1 3.21Å; V194-I198 PolarHBondContact O-N 2.66Å
195K95.7Very high94.3Very high134 Ų13432.5 Ų32.558%0.58316%0.155SC*.Hα-helixtrans-59.7-48.6177.4-171.1-176.9179.1-170.60112K191 R192 I193 E197 I198 E199K191-K195 WeakPolarHBondContact O-CB 3.27Å; K191-K195 PolarHBondContact O-N 3.05Å; R192-K195 PolarHBondContact O-N 3.07Å; I193-K195 VanDerWaalsContact C-N 3.3Å; I193-K195 PolarHBondContact O-N 3.21Å; K195-E197 PolarHBondContact O-N 2.85Å; K195-I198 PolarHBondContact O-N 3.45Å; K195-E199 WeakPolarHBondContact CE-OE1 3.41Å; K195-E199 IonicContact NZ-OE1 3.5Å; K195-E199 WeakPolarHBondContact O-CG 3.44Å; K195-E199 PolarHBondContact O-N 2.81Å
196Q95.2Very high94.3Very high61 Ų6132.6 Ų32.629%0.28516%0.156SC..Hα-helixtrans-65.4-36.7-179.1-70.6174.4-59.200113.3L128 R192 I193 E199 R200L128-Q196 HydrophobicContact CD2-CB 3.54Å; L128-Q196 HydrophobicContact CD2-CG 4.46Å; R192-Q196 VanDerWaalsContact O-CG 3.26Å; R192-Q196 WeakPolarHBondContact O-CG 3.3Å; R192-Q196 PolarHBondContact O-N 2.99Å; R192-Q196 PolarHBondContact O-OE1 3Å; I193-Q196 PolarHBondContact O-N 3.14Å; Q196-E199 PolarHBondContact O-N 2.8Å; Q196-R200 WeakPolarHBondContact O-CG 3.36Å; Q196-R200 PolarHBondContact O-N 3.3Å; Q196-R200 VanDerWaalsContact O-N 3.11Å
197E94.6Very high94.4Very high4 Ų435.9 Ų35.92%0.01917%0.17CC..Hα-helixtrans-66.3-41.5173.6-77.7-77.2-167.500111.4L85 P86 A87 I88 I193 V194 K195 R200 I201L85-E197 HydrophobicContact CD2-CB 4.15Å; P86-E197 WeakPolarHBondContact CD-OE1 3.25Å; P86-E197 WeakPolarHBondContact CG-OE1 3.47Å; A87-E197 WeakPolarHBondContact CA-OE1 3.44Å; A87-E197 HydrophobicContact CB-CG 3.91Å; A87-E197 WeakPolarHBondContact CB-OE1 3.28Å; A87-E197 PolarHBondContact N-OE1 3.45Å; I88-E197 HydrophobicContact CD1-CB 4.13Å; I88-E197 HydrophobicContact CD1-CG 4.22Å; I193-E197 PolarHBondContact O-N 2.79Å; V194-E197 PolarHBondContact O-N 3.18Å; K195-E197 PolarHBondContact O-N 2.85Å; E197-R200 WeakPolarHBondContact O-CB 3.29Å; E197-R200 PolarHBondContact O-N 3.12Å; E197-I201 PolarHBondContact O-N 2.99Å; E197-I201 VanDerWaalsContact O-N 3.16Å
198I96.3Very high94.5Very high11 Ų1137.8 Ų37.86%0.05618%0.18CC..Hα-helixtrans-64.2-42.3175-67.4168.2000110.7L154 P176 V194 K195 R200 I201 V202 I208L154-I198 HydrophobicContact CD1-CD1 4.13Å; L154-I198 HydrophobicContact CD1-CG1 3.81Å; L154-I198 HydrophobicContact CD2-CG1 4.26Å; P176-I198 HydrophobicContact CB-CD1 4.05Å; P176-I198 HydrophobicContact CB-CG2 4.42Å; P176-I198 HydrophobicContact CG-CD1 3.96Å; P176-I198 HydrophobicContact CG-CG2 3.99Å; V194-I198 HydrophobicContact CG1-CD1 3.79Å; V194-I198 VanDerWaalsContact O-CG1 3.25Å; V194-I198 WeakPolarHBondContact O-CG1 3.21Å; V194-I198 PolarHBondContact O-N 2.66Å; K195-I198 PolarHBondContact O-N 3.45Å; I198-R200 PolarHBondContact O-N 3.25Å; I198-I201 WeakPolarHBondContact O-CB 3.32Å; I198-I201 PolarHBondContact O-N 3.42Å; I198-V202 HydrophobicContact CG2-CG2 4.44Å; I198-V202 WeakPolarHBondContact O-CG2 3.1Å; I198-V202 PolarHBondContact O-N 2.87Å; I198-I208 HydrophobicContact CG2-CD1 3.54Å
199E95.4Very high94.7Very high77 Ų7741.5 Ų41.536%0.3620%0.198SC..Hα-helixtrans-58.8-34.3174.9-75.2169.6178.200112.1L132 K195 Q196 V202 A203L132-E199 HydrophobicContact CD2-CB 4.46Å; K195-E199 WeakPolarHBondContact CE-OE1 3.41Å; K195-E199 IonicContact NZ-OE1 3.5Å; K195-E199 WeakPolarHBondContact O-CG 3.44Å; K195-E199 PolarHBondContact O-N 2.81Å; Q196-E199 PolarHBondContact O-N 2.8Å; E199-V202 PolarHBondContact O-N 2.83Å; E199-A203 WeakPolarHBondContact O-CB 3.28Å; E199-A203 PolarHBondContact O-N 3.22Å
200R92.6Very high94.7Very high30 Ų3043.9 Ų43.911%0.11321%0.212CC..Hα-helixtrans-68.6-34.4173.1-75.4176.4-177-113.6-15113.5Y76 A127 Q130 L132 Q196 E197 I198 Q204Y76-R200 PolarHBondContact OH-NH1 3.32Å; A127-R200 VanDerWaalsContact O-CZ 3.27Å; A127-R200 PolarHBondContact O-NH1 2.88Å; A127-R200 PolarHBondContact O-NH2 3.29Å; Q130-R200 PolarHBondContact O-NH2 2.86Å; L132-R200 HydrophobicContact CD1-CB 4.25Å; L132-R200 HydrophobicContact CD1-CG 3.43Å; L132-R200 VanDerWaalsContact CD1-CG 3.43Å; Q196-R200 WeakPolarHBondContact O-CG 3.36Å; Q196-R200 PolarHBondContact O-N 3.3Å; Q196-R200 VanDerWaalsContact O-N 3.11Å; E197-R200 WeakPolarHBondContact O-CB 3.29Å; E197-R200 PolarHBondContact O-N 3.12Å; I198-R200 PolarHBondContact O-N 3.25Å; R200-Q204 WeakPolarHBondContact O-CG 3.42Å; R200-Q204 PolarHBondContact O-N 3.17Å
201I93.7Very high94.6Very high1 Ų148.2 Ų48.21%0.00524%0.235CC..Hα-helixtrans-69.7-41.3173.1-66.3171.5000109.9N84 L85 L154 E197 I198 A203 Q204 V206N84-I201 HydrophobicContact CB-CD1 4.13Å; N84-I201 HydrophobicContact CB-CG1 4.34Å; L85-I201 HydrophobicContact CD2-CD1 3.71Å; L154-I201 HydrophobicContact CB-CD1 3.91Å; L154-I201 HydrophobicContact CD2-CD1 4.21Å; E197-I201 PolarHBondContact O-N 2.99Å; E197-I201 VanDerWaalsContact O-N 3.16Å; I198-I201 WeakPolarHBondContact O-CB 3.32Å; I198-I201 PolarHBondContact O-N 3.42Å; I201-A203 VanDerWaalsContact C-N 3.33Å; I201-A203 PolarHBondContact O-N 3.35Å; I201-Q204 WeakPolarHBondContact O-CB 3.4Å; I201-Q204 PolarHBondContact O-N 2.86Å; I201-Q204 VanDerWaalsContact O-N 3.08Å; I201-V206 HydrophobicContact CG2-CB 3.85Å; I201-V206 HydrophobicContact CG2-CG1 4.16Å; I201-V206 HydrophobicContact CG2-CG2 3.63Å
202V95.1Very high94.6Very high61 Ų6148.2 Ų48.237%0.3724%0.237SC..Hα-helixtrans-62.9-39.7173.91740000111.4I198 E199 Q204 G205 V206 I208I198-V202 HydrophobicContact CG2-CG2 4.44Å; I198-V202 WeakPolarHBondContact O-CG2 3.1Å; I198-V202 PolarHBondContact O-N 2.87Å; E199-V202 PolarHBondContact O-N 2.83Å; V202-Q204 PolarHBondContact O-N 3.46Å; V202-Q204 VanDerWaalsContact O-N 3.14Å; V202-G205 PolarHBondContact O-N 3.41Å; V202-V206 WeakPolarHBondContact CA-O 2.93Å; V202-I208 HydrophobicContact CG2-CD1 3.77Å; V202-I208 HydrophobicContact CG2-CG1 4.09Å
203A92.1Very high94.5Very high3 Ų343.7 Ų43.73%0.02523%0.225CC..THydrogen-bonded Turntrans-65-1417500000113.9L132 Y134 K135 E199 I201 G205L132-A203 HydrophobicContact CD1-CB 3.85Å; L132-A203 HydrophobicContact CD2-CB 4.2Å; L132-A203 HydrophobicContact CG-CB 4.01Å; Y134-A203 HydrophobicContact CD1-CB 3.96Å; Y134-A203 HydrophobicContact CE1-CB 4.13Å; Y134-A203 HydrophobicContact CG-CB 4.38Å; K135-A203 PolarHBondContact N-O 3.14Å; E199-A203 WeakPolarHBondContact O-CB 3.28Å; E199-A203 PolarHBondContact O-N 3.22Å; I201-A203 VanDerWaalsContact C-N 3.33Å; I201-A203 PolarHBondContact O-N 3.35Å; A203-G205 VanDerWaalsContact C-N 3.31Å
204Q89.2Confident94.2Very high35 Ų3544 Ų4416%0.16423%0.228CC..THydrogen-bonded Turntrans-88.36.7169.7-64.8167.82700112.8V137 R200 I201 V202V137-Q204 WeakPolarHBondContact CG2-O 3.49Å; R200-Q204 WeakPolarHBondContact O-CG 3.42Å; R200-Q204 PolarHBondContact O-N 3.17Å; I201-Q204 WeakPolarHBondContact O-CB 3.4Å; I201-Q204 PolarHBondContact O-N 2.86Å; I201-Q204 VanDerWaalsContact O-N 3.08Å; V202-Q204 PolarHBondContact O-N 3.46Å; V202-Q204 VanDerWaalsContact O-N 3.14Å
205G90.6Very high93.7Very high33 Ų3344.4 Ų44.434%0.3423%0.232SC..THydrogen-bonded Turntrans96.24.8176.300000115.3V202 A203V202-G205 PolarHBondContact O-N 3.41Å; A203-G205 VanDerWaalsContact C-N 3.31Å
206V95.6Very high93.3Very high3 Ų345 Ų452%0.01824%0.235CC..  trans-74.2129.8175.1178.30000110.4A157 A161 V167 V169 I201 V202 I208A157-V206 HydrophobicContact CB-CG1 3.89Å; A157-V206 HydrophobicContact CB-CG2 4.14Å; A157-V206 WeakPolarHBondContact O-CG2 3.49Å; A161-V206 HydrophobicContact CB-CG2 3.55Å; V167-V206 HydrophobicContact CB-CG2 4.45Å; V169-V206 HydrophobicContact CG2-CG1 3.58Å; I201-V206 HydrophobicContact CG2-CB 3.85Å; I201-V206 HydrophobicContact CG2-CG1 4.16Å; I201-V206 HydrophobicContact CG2-CG2 3.63Å; V202-V206 WeakPolarHBondContact CA-O 2.93Å; V206-I208 HydrophobicContact CG1-CG1 4.21Å
207K96.5Very high92.8Very high101 Ų10146.4 Ų46.444%0.43925%0.248SC..EExtended strand (participates in β ladder)trans-91.9137.9171.8-61.6166.8-170.4151.80109.4D166 V167 T168 V169D166-K207 VanDerWaalsContact CG-NZ 3.26Å; D166-K207 WeakPolarHBondContact OD1-CE 3.4Å; D166-K207 IonicContact OD1-NZ 2.75Å; D166-K207 PolarHBondContact OD1-NZ 2.99Å; D166-K207 IonicContact OD2-NZ 3.27Å; D166-K207 PolarHBondContact OD2-NZ 3.42Å; V167-K207 PolarHBondContact O-N 3.3Å; T168-K207 CarbonylContact C-O 2.93Å; T168-K207 WeakPolarHBondContact CA-O 3.42Å; V169-K207 PolarHBondContact N-O 3.1Å
208I97.9Very high92.4Very high42 Ų4247.7 Ų47.722%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-126.2119177-53.7-177.4000108.9L154 V169 P176 I198 V202 V206 T210L154-I208 HydrophobicContact CD2-CD1 4.29Å; V169-I208 HydrophobicContact CB-CB 4.5Å; V169-I208 HydrophobicContact CB-CG1 4.12Å; V169-I208 HydrophobicContact CB-CG2 4.38Å; V169-I208 HydrophobicContact CG2-CG1 4.34Å; V169-I208 CarbonylContact O-C 3.48Å; V169-I208 WeakPolarHBondContact O-CA 3.47Å; P176-I208 HydrophobicContact CB-CD1 4.49Å; P176-I208 HydrophobicContact CB-CG2 4.03Å; I198-I208 HydrophobicContact CG2-CD1 3.54Å; V202-I208 HydrophobicContact CG2-CD1 3.77Å; V202-I208 HydrophobicContact CG2-CG1 4.09Å; V206-I208 HydrophobicContact CG1-CG1 4.21Å; I208-T210 HydrophobicContact CG2-CG2 4.46Å
209E96.9Very high92Very high96 Ų9650.1 Ų50.145%0.44927%0.27SS..EExtended strand (participates in β ladder)trans-105.8115.5174.9-63.6-166.4179.900109.6T168 V169 Y170 E171 V212T168-E209 HydrophobicContact CG2-CG 4.33Å; V169-E209 PolarHBondContact O-N 2.86Å; Y170-E209 HydrophobicContact CD1-CB 4.06Å; Y170-E209 HydrophobicContact CE1-CB 4.36Å; Y170-E209 WeakPolarHBondContact CE1-OE2 3.46Å; E171-E209 PolarHBondContact N-O 3.45Å; E209-V212 HydrophobicContact CB-CG2 3.97Å
210T95.7Very high91.6Very high49 Ų4946.7 Ų46.730%0.30125%0.254SS..  trans-93.7164.4178.752.70000111E171 L173 I208 V212E171-T210 HydrophobicContact CB-CG2 4.34Å; E171-T210 HydrophobicContact CG-CG2 4.48Å; E171-T210 CarbonylContact O-C 3.51Å; E171-T210 WeakPolarHBondContact O-CA 3.42Å; L173-T210 VanDerWaalsContact O-CB 3.3Å; L173-T210 WeakPolarHBondContact O-CB 3.44Å; I208-T210 HydrophobicContact CG2-CG2 4.46Å; T210-V212 PolarHBondContact O-N 2.8Å
211N94.8Very high91.3Very high99 Ų9949.9 Ų49.953%0.52927%0.273SS..SBendtrans62.324.4-176-46.2-80.2000114E171 L173 H174E171-N211 PolarHBondContact O-N 3.45Å; L173-N211 PolarHBondContact O-N 2.93Å; H174-N211 VanDerWaalsContact CA-OD1 3.3Å; H174-N211 WeakPolarHBondContact CA-OD1 3.33Å; H174-N211 VanDerWaalsContact CB-OD1 3.3Å; H174-N211 WeakPolarHBondContact CB-OD1 3.37Å
212V93.6Very high90.8Very high23 Ų2354.9 Ų54.914%0.13930%0.296CS..  trans-106104.3177.6-1750000109.1Y170 E171 A172 E209 T210 V214 T217 I218Y170-V212 HydrophobicContact CD1-CB 4Å; Y170-V212 HydrophobicContact CD1-CG1 3.66Å; Y170-V212 HydrophobicContact CD1-CG2 4.14Å; Y170-V212 HydrophobicContact CE1-CG1 4.38Å; Y170-V212 HydrophobicContact CG-CG1 4.26Å; E171-V212 CarbonylContact C-O 3.6Å; E171-V212 PolarHBondContact O-N 2.79Å; A172-V212 WeakPolarHBondContact CA-O 3.39Å; A172-V212 PolarHBondContact N-O 2.93Å; E209-V212 HydrophobicContact CB-CG2 3.97Å; T210-V212 PolarHBondContact O-N 2.8Å; V212-V214 HydrophobicContact CG1-CG2 4.32Å; V212-V214 PolarHBondContact O-N 3.04Å; V212-T217 WeakPolarHBondContact CG1-OG1 3.27Å; V212-I218 HydrophobicContact CG1-CG2 3.68Å
213V91.4Very high90.5Very high50 Ų5052 Ų5230%0.30328%0.279SS..  trans-91.490.5176-174.50000108.5A172 G215 K216 T217 V381A172-V213 HydrophobicContact CB-CG2 4.16Å; V213-G215 PolarHBondContact O-N 3.37Å; V213-K216 HydrophobicContact CB-CB 4.26Å; V213-K216 HydrophobicContact CG1-CB 4.08Å; V213-K216 HydrophobicContact CG1-CG 4.05Å; V213-K216 WeakPolarHBondContact O-CA 3.35Å; V213-K216 PolarHBondContact O-N 2.97Å; V213-T217 HydrophobicContact CB-CG2 4.45Å; V213-T217 PolarHBondContact N-OG1 3.12Å; V213-T217 PolarHBondContact O-N 3.46Å; V213-T217 PolarHBondContact O-OG1 3.43Å; V213-T217 VanDerWaalsContact O-OG1 3.1Å; V213-V381 HydrophobicContact CG1-CG1 3.61Å
214V90.3Very high90.3Very high9 Ų954.4 Ų54.46%0.05529%0.291CS..BIsolated β-bridgetrans-58.4131.5176.1-173.20000110.2I147 Y170 V212 I218 M220 I223 L382I147-V214 HydrophobicContact CG1-CG1 4.44Å; I147-V214 HydrophobicContact CG1-CG2 4.2Å; I147-V214 HydrophobicContact CG2-CB 3.9Å; I147-V214 HydrophobicContact CG2-CG1 4.36Å; I147-V214 HydrophobicContact CG2-CG2 3.74Å; Y170-V214 HydrophobicContact CG-CG2 4.3Å; V212-V214 HydrophobicContact CG1-CG2 4.32Å; V212-V214 PolarHBondContact O-N 3.04Å; V214-I218 HydrophobicContact CB-CG2 4.37Å; V214-I218 HydrophobicContact CG1-CG2 4.37Å; V214-I218 HydrophobicContact CG2-CG2 3.95Å; V214-M220 HydrophobicContact CG1-SD 4.49Å; V214-I223 HydrophobicContact CB-CD1 4.38Å; V214-I223 HydrophobicContact CG1-CD1 3.5Å; V214-I223 VanDerWaalsContact CG1-CD1 3.5Å; V214-I223 HydrophobicContact CG2-CD1 3.92Å; V214-L382 HydrophobicContact CB-CD1 4.12Å; V214-L382 HydrophobicContact CG1-CD1 3.64Å
215G84.9Confident90Very high10 Ų1057.6 Ų57.610%0.10331%0.309CS..THydrogen-bonded Turntrans96.3-12.8-166.600000114.1V213 I218 T385V213-G215 PolarHBondContact O-N 3.37Å; G215-I218 PolarHBondContact N-O 3.25Å; G215-T385 VanDerWaalsContact CA-OG1 3.22Å; G215-T385 WeakPolarHBondContact CA-OG1 3.36Å; G215-T385 WeakPolarHBondContact O-CG2 3.2Å
216K86.6Confident89.8Confident148 Ų14859.5 Ų59.564%0.64331%0.309SS*.THydrogen-bonded Turntrans-128.1-53.6178.7-62.6-64.1176.1-163.80113.5V213 V381V213-K216 HydrophobicContact CB-CB 4.26Å; V213-K216 HydrophobicContact CG1-CB 4.08Å; V213-K216 HydrophobicContact CG1-CG 4.05Å; V213-K216 WeakPolarHBondContact O-CA 3.35Å; V213-K216 PolarHBondContact O-N 2.97Å; K216-V381 HydrophobicContact CG-CG1 3.78Å
217T84.3Confident89.7Confident90 Ų9059.9 Ų59.955%0.55231%0.31SS*.THydrogen-bonded Turntrans-84.8-31.5179.952.50000112.2V212 V213V212-T217 WeakPolarHBondContact CG1-OG1 3.27Å; V213-T217 HydrophobicContact CB-CG2 4.45Å; V213-T217 PolarHBondContact N-OG1 3.12Å; V213-T217 PolarHBondContact O-N 3.46Å; V213-T217 PolarHBondContact O-OG1 3.43Å; V213-T217 VanDerWaalsContact O-OG1 3.1Å
218I86.3Confident89.4Confident30 Ų3058.6 Ų58.615%0.15431%0.308CS..BIsolated β-bridgetrans-141.3140.4173.5-172.1169.8000107.2V212 V214 G215 E222 I223V212-I218 HydrophobicContact CG1-CG2 3.68Å; V214-I218 HydrophobicContact CB-CG2 4.37Å; V214-I218 HydrophobicContact CG1-CG2 4.37Å; V214-I218 HydrophobicContact CG2-CG2 3.95Å; G215-I218 PolarHBondContact N-O 3.25Å; I218-E222 HydrophobicContact CD1-CB 4.48Å; I218-E222 HydrophobicContact CG1-CB 4.03Å; I218-I223 HydrophobicContact CD1-CD1 4.42Å; I218-I223 HydrophobicContact CD1-CG1 3.75Å; I218-I223 HydrophobicContact CG1-CG1 4.06Å; I218-I223 HydrophobicContact CG2-CD1 4.04Å; I218-I223 HydrophobicContact CG2-CG1 4.45Å
219T87.9Confident89.3Confident63 Ų6356.7 Ų56.739%0.38730%0.299SS..  trans-84.5159.4178.963.70000111.2D221 E222 I223T219-D221 VanDerWaalsContact C-N 3.31Å; T219-E222 WeakPolarHBondContact CB-OE2 3.41Å; T219-E222 PolarHBondContact N-OE2 2.8Å; T219-E222 WeakPolarHBondContact OG1-CG 3.41Å; T219-E222 PolarHBondContact OG1-N 3.19Å; T219-E222 PolarHBondContact OG1-OE2 2.93Å; T219-I223 WeakPolarHBondContact O-CG1 3.46Å; T219-I223 PolarHBondContact O-N 3.47Å
220M88.6Confident89.3Confident4 Ų452.2 Ų52.22%0.0228%0.278CS..Hα-helixtrans-67.5-36.2176.2-168.468.5-161.100111.5V214 E222 I223 I224 C230 L232 F386 V411V214-M220 HydrophobicContact CG1-SD 4.49Å; M220-E222 VanDerWaalsContact C-N 3.34Å; M220-E222 PolarHBondContact O-N 3.02Å; M220-I223 PolarHBondContact O-N 3.41Å; M220-I223 VanDerWaalsContact O-N 3.11Å; M220-I224 HydrophobicContact CE-CD1 4.14Å; M220-I224 HydrophobicContact CE-CG1 3.81Å; M220-I224 HydrophobicContact CG-CD1 3.91Å; M220-I224 HydrophobicContact CG-CG1 4.21Å; M220-I224 WeakPolarHBondContact O-CG1 3.46Å; M220-I224 PolarHBondContact O-N 3.47Å; M220-C230 HydrophobicContact CE-CB 3.53Å; M220-L232 HydrophobicContact CE-CD2 3.98Å; M220-L232 HydrophobicContact SD-CD2 4.02Å; M220-F386 HydrophobicContact CB-CD1 4.21Å; M220-F386 HydrophobicContact CB-CD2 4.15Å; M220-F386 HydrophobicContact CB-CE1 4.38Å; M220-F386 HydrophobicContact CB-CE2 4.3Å; M220-F386 HydrophobicContact CB-CG 4.11Å; M220-F386 HydrophobicContact CB-CZ 4.4Å; M220-F386 HydrophobicContact CE-CE1 4.36Å; M220-F386 HydrophobicContact CG-CD1 3.71Å; M220-F386 HydrophobicContact CG-CD2 4.18Å; M220-F386 HydrophobicContact CG-CE1 3.47Å; M220-F386 VanDerWaalsContact CG-CE1 3.47Å; M220-F386 HydrophobicContact CG-CE2 3.96Å; M220-F386 HydrophobicContact CG-CG 4.07Å; M220-F386 HydrophobicContact CG-CZ 3.58Å; M220-F386 HydrophobicContact SD-CE1 4.35Å; M220-V411 HydrophobicContact CE-CG1 4.28Å; M220-V411 HydrophobicContact CE-CG2 4.18Å
221D84.7Confident89.4Confident98 Ų9849.9 Ų49.952%0.52426%0.264SS..Hα-helixtrans-60-43.3178.5-60.8-24.5000111.6T219 I223 I224 D225T219-D221 VanDerWaalsContact C-N 3.31Å; D221-I223 VanDerWaalsContact C-N 3.31Å; D221-I223 PolarHBondContact O-N 3.47Å; D221-I224 PolarHBondContact O-N 3.38Å; D221-D225 WeakPolarHBondContact O-CB 3.2Å; D221-D225 PolarHBondContact O-N 2.96Å
222E83.6Confident89.5Confident105 Ų10545.1 Ų45.149%0.49124%0.238SC..Hα-helixtrans-59.6-40.7174.2-73.8165142.600112.2I218 T219 M220 E226I218-E222 HydrophobicContact CD1-CB 4.48Å; I218-E222 HydrophobicContact CG1-CB 4.03Å; T219-E222 WeakPolarHBondContact CB-OE2 3.41Å; T219-E222 PolarHBondContact N-OE2 2.8Å; T219-E222 WeakPolarHBondContact OG1-CG 3.41Å; T219-E222 PolarHBondContact OG1-N 3.19Å; T219-E222 PolarHBondContact OG1-OE2 2.93Å; M220-E222 VanDerWaalsContact C-N 3.34Å; M220-E222 PolarHBondContact O-N 3.02Å; E222-E226 WeakPolarHBondContact O-CB 3.08Å; E222-E226 PolarHBondContact O-N 3.13Å
223I90Very high89.6Confident0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-68.2-44.2176.9-62.7178.6000110.7A145 I147 Y170 V214 I218 T219 M220 D221 D225 E226 F227A145-I223 HydrophobicContact CB-CG2 3.34Å; I147-I223 HydrophobicContact CD1-CG2 4.49Å; I147-I223 HydrophobicContact CG1-CD1 4.33Å; Y170-I223 HydrophobicContact CD2-CD1 4.16Å; Y170-I223 HydrophobicContact CE2-CD1 4.15Å; Y170-I223 HydrophobicContact CE2-CG1 4.47Å; V214-I223 HydrophobicContact CB-CD1 4.38Å; V214-I223 HydrophobicContact CG1-CD1 3.5Å; V214-I223 VanDerWaalsContact CG1-CD1 3.5Å; V214-I223 HydrophobicContact CG2-CD1 3.92Å; I218-I223 HydrophobicContact CD1-CD1 4.42Å; I218-I223 HydrophobicContact CD1-CG1 3.75Å; I218-I223 HydrophobicContact CG1-CG1 4.06Å; I218-I223 HydrophobicContact CG2-CD1 4.04Å; I218-I223 HydrophobicContact CG2-CG1 4.45Å; T219-I223 WeakPolarHBondContact O-CG1 3.46Å; T219-I223 PolarHBondContact O-N 3.47Å; M220-I223 PolarHBondContact O-N 3.41Å; M220-I223 VanDerWaalsContact O-N 3.11Å; D221-I223 VanDerWaalsContact C-N 3.31Å; D221-I223 PolarHBondContact O-N 3.47Å; I223-D225 VanDerWaalsContact C-N 3.25Å; I223-D225 PolarHBondContact O-N 3.12Å; I223-E226 PolarHBondContact O-N 3.23Å; I223-F227 HydrophobicContact CG2-CD2 3.79Å; I223-F227 HydrophobicContact CG2-CE2 4.28Å; I223-F227 VanDerWaalsContact O-CD2 3.31Å; I223-F227 WeakPolarHBondContact O-CD2 3.24Å; I223-F227 PolarHBondContact O-N 3.12Å
224I88.1Confident89.7Confident55 Ų5544.4 Ų44.428%0.28224%0.235SC..Hα-helixtrans-62.5-36.1179.5-67.2172.2000110.9M220 D221 F386 V411M220-I224 HydrophobicContact CE-CD1 4.14Å; M220-I224 HydrophobicContact CE-CG1 3.81Å; M220-I224 HydrophobicContact CG-CD1 3.91Å; M220-I224 HydrophobicContact CG-CG1 4.21Å; M220-I224 WeakPolarHBondContact O-CG1 3.46Å; M220-I224 PolarHBondContact O-N 3.47Å; D221-I224 PolarHBondContact O-N 3.38Å; I224-F386 HydrophobicContact CD1-CE2 4.13Å; I224-F386 HydrophobicContact CD1-CZ 3.66Å; I224-V411 HydrophobicContact CD1-CG2 3.97Å; I224-V411 HydrophobicContact CG1-CG2 4.24Å
225D81.7Confident89.7Confident102 Ų10244.9 Ų44.955%0.54524%0.241SC..Hα-helixtrans-71.2-29.4178.2-84.5-25.3000113.6D221 I223 K980D221-D225 WeakPolarHBondContact O-CB 3.2Å; D221-D225 PolarHBondContact O-N 2.96Å; I223-D225 VanDerWaalsContact C-N 3.25Å; I223-D225 PolarHBondContact O-N 3.12Å; D225-K980 WeakPolarHBondContact O-CD 3.32Å
226E85.9Confident89.7Confident73 Ų7344.5 Ų44.534%0.34124%0.237SC..Hα-helixtrans-89.6-28-176.9-177.1174.2-176.200114R143 E222 I223R143-E226 IonicContact CZ-OE1 2.89Å; R143-E226 IonicContact NH1-OE1 2.88Å; R143-E226 PolarHBondContact NH1-OE1 3.42Å; R143-E226 IonicContact NH2-OE1 3.67Å; R143-E226 PolarHBondContact NH2-OE1 3.45Å; E222-E226 WeakPolarHBondContact O-CB 3.08Å; E222-E226 PolarHBondContact O-N 3.13Å; I223-E226 PolarHBondContact O-N 3.23Å
227F93.1Very high89.5Confident11 Ų1138.7 Ų38.75%0.04822%0.219CC..  trans-115.8146-172.1-67.1-94.9000112.7R143 A145 T168 Y170 I223 A229R143-F227 HydrophobicContact CB-CD1 3.71Å; R143-F227 HydrophobicContact CB-CE1 4.26Å; R143-F227 HydrophobicContact CB-CG 4.49Å; A145-F227 HydrophobicContact CB-CB 4.11Å; A145-F227 HydrophobicContact CB-CD1 3.77Å; A145-F227 HydrophobicContact CB-CD2 3.73Å; A145-F227 HydrophobicContact CB-CE1 4.04Å; A145-F227 HydrophobicContact CB-CE2 4.01Å; A145-F227 HydrophobicContact CB-CG 3.6Å; A145-F227 HydrophobicContact CB-CZ 4.15Å; A145-F227 VanDerWaalsContact N-CD1 3.25Å; T168-F227 HydrophobicContact CG2-CZ 4.45Å; Y170-F227 HydrophobicContact CE2-CE2 4.15Å; Y170-F227 HydrophobicContact CE2-CZ 4.16Å; Y170-F227 WeakPolarHBondContact OH-CE2 3.32Å; Y170-F227 WeakPolarHBondContact OH-CZ 3.41Å; I223-F227 HydrophobicContact CG2-CD2 3.79Å; I223-F227 HydrophobicContact CG2-CE2 4.28Å; I223-F227 VanDerWaalsContact O-CD2 3.31Å; I223-F227 WeakPolarHBondContact O-CD2 3.24Å; I223-F227 PolarHBondContact O-N 3.12Å; F227-A229 VanDerWaalsContact C-N 3.28Å; F227-A229 PolarHBondContact O-N 3Å
228D90.6Very high89.6Confident73 Ų7335.9 Ų35.939%0.3921%0.205SC..SBendtrans-71.2-25.2-179.8-62.4-66.2000112.4G142 R143 I442G142-D228 WeakPolarHBondContact CA-OD2 3.47Å; R143-D228 PolarHBondContact N-OD2 3.34Å; R143-D228 WeakPolarHBondContact O-CB 3.29Å; R143-D228 PolarHBondContact O-N 3.25Å; D228-I442 HydrophobicContact CB-CD1 3.94Å; D228-I442 HydrophobicContact CB-CG1 4.08Å; D228-I442 HydrophobicContact CB-CG2 4.31Å
229A95.5Very high89.6Confident2 Ų237.2 Ų37.22%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-156.1160.5171.700000110.6V144 A145 F227 G410 I438 Y441 I442V144-A229 WeakPolarHBondContact CA-O 3.48Å; V144-A229 WeakPolarHBondContact CG1-O 3.33Å; A145-A229 PolarHBondContact N-O 3.32Å; A145-A229 VanDerWaalsContact N-O 3.11Å; F227-A229 VanDerWaalsContact C-N 3.28Å; F227-A229 PolarHBondContact O-N 3Å; A229-G410 CarbonylContact C-O 3.57Å; A229-G410 VanDerWaalsContact CA-O 3.31Å; A229-G410 WeakPolarHBondContact CA-O 3.45Å; A229-I438 HydrophobicContact CB-CG2 3.86Å; A229-Y441 HydrophobicContact CB-CD1 4.42Å; A229-I442 HydrophobicContact CB-CD1 3.9Å; A229-I442 HydrophobicContact CB-CG1 4.09Å
230C97.2Very high89.7Confident2 Ų239.9 Ų39.91%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-128.3142.6178.5-59.50000111.3A145 I147 M220 G410 V411 F412A145-C230 CarbonylContact O-C 3.6Å; A145-C230 WeakPolarHBondContact O-CA 3.23Å; I147-C230 HydrophobicContact CD1-CB 4.47Å; M220-C230 HydrophobicContact CE-CB 3.53Å; C230-G410 PolarHBondContact N-O 2.88Å; C230-V411 HydrophobicContact CB-CG2 4.39Å; C230-F412 PolarHBondContact O-N 3Å
231Y98.3Very high89.7Confident0 Ų044.4 Ų44.40%024%0.238CC..EExtended strand (participates in β ladder)trans-121.1118.3172.9-177-122.6000111.9A145 V146 I147 S152 T156 F412 G414 A434 I438A145-Y231 PolarHBondContact O-N 2.93Å; V146-Y231 HydrophobicContact CG1-CD1 4.13Å; I147-Y231 PolarHBondContact N-O 3.16Å; S152-Y231 PolarHBondContact OG-OH 2.67Å; T156-Y231 HydrophobicContact CG2-CD1 3.71Å; T156-Y231 HydrophobicContact CG2-CE1 4.22Å; T156-Y231 HydrophobicContact CG2-CG 4Å; T156-Y231 WeakPolarHBondContact OG1-CD1 3.47Å; T156-Y231 WeakPolarHBondContact OG1-CE1 3.5Å; Y231-F412 CarbonylContact C-O 3.56Å; Y231-F412 WeakPolarHBondContact CA-O 3.41Å; Y231-F412 HydrophobicContact CD2-CB 3.88Å; Y231-G414 WeakPolarHBondContact OH-CA 3.48Å; Y231-A434 HydrophobicContact CD2-CB 3.64Å; Y231-A434 HydrophobicContact CE2-CB 3.3Å; Y231-A434 HydrophobicContact CG-CB 4.38Å; Y231-I438 HydrophobicContact CG-CD1 4.49Å
232L97.1Very high90Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-93.7113-179.6-55.7-176.8000110.6I147 M220 L382 L389 I397 V411 F412 A413 G414I147-L232 HydrophobicContact CB-CD2 3.94Å; I147-L232 HydrophobicContact CD1-CD2 4.11Å; I147-L232 HydrophobicContact CG1-CD2 3.92Å; M220-L232 HydrophobicContact CE-CD2 3.98Å; M220-L232 HydrophobicContact SD-CD2 4.02Å; L232-L382 HydrophobicContact CD2-CD2 4.11Å; L232-L389 HydrophobicContact CD1-CD2 3.75Å; L232-I397 HydrophobicContact CB-CD1 4.09Å; L232-I397 HydrophobicContact CD1-CD1 3.87Å; L232-V411 HydrophobicContact CD1-CG1 3.71Å; L232-V411 HydrophobicContact CG-CG1 3.9Å; L232-F412 PolarHBondContact N-O 2.83Å; L232-A413 HydrophobicContact CB-CB 3.99Å; L232-A413 VanDerWaalsContact O-CA 3.32Å; L232-A413 WeakPolarHBondContact O-CA 3.34Å; L232-G414 PolarHBondContact O-N 2.71Å; L232-G414 VanDerWaalsContact O-N 3.14Å
233S95.5Very high90.3Very high9 Ų940.1 Ų40.16%0.06323%0.233CC..  trans-13534.9-178.470.10000112.9I147 G148 G153 G235I147-S233 CarbonylContact O-C 3.47Å; I147-S233 VanDerWaalsContact O-C 3.31Å; I147-S233 WeakPolarHBondContact O-CA 3.09Å; I147-S233 PolarHBondContact O-N 2.99Å; I147-S233 PolarHBondContact O-OG 2.84Å; G148-S233 PolarHBondContact O-OG 3.4Å; G153-S233 VanDerWaalsContact CA-OG 3.26Å; G153-S233 WeakPolarHBondContact CA-OG 3.42Å; G153-S233 PolarHBondContact N-OG 2.86Å; S233-G235 PolarHBondContact O-N 2.88Å
234V93.1Very high90.6Very high49 Ų4941.9 Ų41.930%0.29724%0.242SC..  trans-64.5-7.3-177.5-64.30000114.9I147 L382 I417I147-V234 HydrophobicContact CG2-CG1 3.68Å; I147-V234 PolarHBondContact O-N 3.04Å; V234-L382 HydrophobicContact CG1-CD2 3.82Å; V234-L382 HydrophobicContact CG2-CD2 4.4Å; V234-I417 HydrophobicContact CG2-CB 4.12Å; V234-I417 HydrophobicContact CG2-CD1 3.88Å; V234-I417 HydrophobicContact CG2-CG1 3.66Å
235G90.6Very high90.9Very high18 Ų1846.3 Ų46.319%0.18626%0.259CS..  trans66.1-172.7178.500000114S233 I417S233-G235 PolarHBondContact O-N 2.88Å; G235-I417 WeakPolarHBondContact O-CD1 3.29Å
236A84.6Confident91.5Very high3 Ų342.3 Ų42.33%0.02524%0.241CC..  trans-119.971.1179.100000110.7Q376 G377 Y396 D416A236-Q376 WeakPolarHBondContact O-CB 3.36Å; A236-Q376 PolarHBondContact O-OE1 3.19Å; A236-G377 CarbonylContact C-O 3.59Å; A236-G377 VanDerWaalsContact CA-O 3.28Å; A236-G377 WeakPolarHBondContact CA-O 3.47Å; A236-Y396 HydrophobicContact CB-CE1 3.89Å; A236-D416 HydrophobicContact CB-CB 4.03Å
237G82Confident91.9Very high25 Ų2540 Ų4026%0.25823%0.233SC..  trans-89.6-6.6-172.200000117.1G377G237-G377 PolarHBondContact N-O 3.43Å
238A87.2Confident91.8Very high31 Ų3145.2 Ų45.226%0.25627%0.27SS..EExtended strand (participates in β ladder)trans-69.7124.1-174.100000110.8Q376 G377A238-Q376 CarbonylContact O-C 3.54Å; A238-Q376 WeakPolarHBondContact O-CA 3.28Å; A238-Q376 WeakPolarHBondContact O-CB 3.45Å; A238-G377 WeakPolarHBondContact CB-O 3.36Å; A238-G377 PolarHBondContact N-O 2.8Å; A238-G377 PolarHBondContact O-N 2.75Å
239P87.1Confident92.1Very high59 Ų5943 Ų4338%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-67.4141.7-175.827.5-34.4000111.4F241 S254P239-F241 HydrophobicContact CB-CE2 4.1Å; P239-F241 HydrophobicContact CB-CZ 4.44Å; P239-F241 HydrophobicContact CG-CE2 3.97Å; P239-F241 HydrophobicContact CG-CZ 4.48Å; P239-S254 VanDerWaalsContact CB-CB 3.46Å
240R88.5Confident92Very high118 Ų11848 Ų4845%0.44529%0.285SS..PPolyproline II helixtrans-98.3136165.1-67.9-173.6179.2-179.61.7109.2I374 G375R240-I374 HydrophobicContact CB-CG1 4.28Å; R240-I374 WeakPolarHBondContact O-CG1 3.36Å; R240-G375 WeakPolarHBondContact CB-O 3.22Å; R240-G375 PolarHBondContact N-O 2.68Å
241F90.3Very high91.8Very high99 Ų9948 Ų4843%0.43429%0.286SS..  trans-109.6148.8173-68.3-83.2000110.9P239 G243 T247 E372P239-F241 HydrophobicContact CB-CE2 4.1Å; P239-F241 HydrophobicContact CB-CZ 4.44Å; P239-F241 HydrophobicContact CG-CE2 3.97Å; P239-F241 HydrophobicContact CG-CZ 4.48Å; F241-G243 VanDerWaalsContact C-N 3.25Å; F241-G243 PolarHBondContact O-N 2.9Å; F241-T247 HydrophobicContact CB-CG2 4.03Å; F241-T247 HydrophobicContact CD1-CG2 3.78Å; F241-T247 HydrophobicContact CG-CG2 4.18Å; F241-E372 WeakPolarHBondContact CA-OE2 3.04Å
242Q89.7Confident91.6Very high49 Ų4948.8 Ų48.823%0.22929%0.29CS..  trans-65.2-30.4176-68.9-157.5-25.100112.5I244 E372 I374Q242-I244 VanDerWaalsContact C-N 3.27Å; Q242-I244 HydrophobicContact CB-CG1 4.15Å; Q242-I244 HydrophobicContact CB-CG2 4.24Å; Q242-I244 PolarHBondContact O-N 2.89Å; Q242-E372 PolarHBondContact N-OE2 3.02Å; Q242-I374 HydrophobicContact CB-CD1 4.38Å; Q242-I374 HydrophobicContact CG-CD1 3.52Å
243G90.5Very high91.5Very high65 Ų6550.5 Ų50.567%0.6730%0.297SS*.  trans69.822.5-177.500000113.9F241F241-G243 VanDerWaalsContact C-N 3.25Å; F241-G243 PolarHBondContact O-N 2.9Å
244I95.1Very high91.4Very high37 Ų3750.3 Ų50.319%0.1930%0.296CS..  trans-78.6165.917457.6167.1000111Q242 G246 T247 P341 Y344Q242-I244 VanDerWaalsContact C-N 3.27Å; Q242-I244 HydrophobicContact CB-CG1 4.15Å; Q242-I244 HydrophobicContact CB-CG2 4.24Å; Q242-I244 PolarHBondContact O-N 2.89Å; I244-G246 PolarHBondContact O-N 3.06Å; I244-T247 PolarHBondContact N-OG1 3.26Å; I244-T247 PolarHBondContact O-N 2.72Å; I244-T247 PolarHBondContact O-OG1 2.93Å; I244-P341 HydrophobicContact CD1-CB 3.73Å; I244-Y344 HydrophobicContact CD1-CD2 3.81Å; I244-Y344 HydrophobicContact CD1-CE2 3.56Å; I244-Y344 HydrophobicContact CD1-CG 4.41Å; I244-Y344 HydrophobicContact CG1-CD2 3.83Å; I244-Y344 HydrophobicContact CG1-CE2 3.62Å
245K95.2Very high91.4Very high147 Ų14748.2 Ų48.264%0.63928%0.283SS*.BIsolated β-bridgetrans-58128.7179.4-178178.3169.1-153.60110E343 Y344K245-E343 HydrophobicContact CB-CG 4.19Å; K245-E343 HydrophobicContact CD-CG 4.22Å; K245-E343 VanDerWaalsContact CD-OE1 3.28Å; K245-E343 WeakPolarHBondContact CD-OE1 3.23Å; K245-E343 VanDerWaalsContact CE-OE1 3.24Å; K245-E343 WeakPolarHBondContact CE-OE1 3.46Å; K245-E343 HydrophobicContact CG-CG 4.32Å; K245-E343 IonicContact NZ-OE1 2.79Å; K245-E343 PolarHBondContact NZ-OE1 3.22Å; K245-Y344 PolarHBondContact O-N 3.37Å
246G94.5Very high91.4Very high18 Ų1848 Ų4819%0.18628%0.279CS..THydrogen-bonded Turntrans88.45.317900000116I244 S248 L249I244-G246 PolarHBondContact O-N 3.06Å; G246-S248 PolarHBondContact O-N 3.48Å; G246-L249 WeakPolarHBondContact O-CB 3.5Å; G246-L249 WeakPolarHBondContact O-CG 3.28Å; G246-L249 PolarHBondContact O-N 3.23Å
247T94Very high91.7Very high26 Ų2651.2 Ų51.216%0.1629%0.294CS..THydrogen-bonded Turntrans-56-23.7176-68.80000113.5F241 I244F241-T247 HydrophobicContact CB-CG2 4.03Å; F241-T247 HydrophobicContact CD1-CG2 3.78Å; F241-T247 HydrophobicContact CG-CG2 4.18Å; I244-T247 PolarHBondContact N-OG1 3.26Å; I244-T247 PolarHBondContact O-N 2.72Å; I244-T247 PolarHBondContact O-OG1 2.93Å
248S92.3Very high92.3Very high120 Ų12050.2 Ų50.284%0.83928%0.282SS*.THydrogen-bonded Turntrans-89.56.6178.1630000114.8G246G246-S248 PolarHBondContact O-N 3.48Å
249L95.1Very high92.7Very high25 Ų2548.9 Ų48.913%0.13127%0.271CS..SBendtrans-69.7148179.5-69.7172000111.5G246 G251 V252 D346 L352G246-L249 WeakPolarHBondContact O-CB 3.5Å; G246-L249 WeakPolarHBondContact O-CG 3.28Å; G246-L249 PolarHBondContact O-N 3.23Å; L249-G251 PolarHBondContact O-N 3.31Å; L249-V252 HydrophobicContact CB-CG2 4.11Å; L249-V252 PolarHBondContact O-N 3.4Å; L249-V252 VanDerWaalsContact O-N 3.11Å; L249-D346 HydrophobicContact CD1-CB 3.8Å; L249-D346 HydrophobicContact CD2-CB 3.59Å; L249-D346 HydrophobicContact CG-CB 4.36Å; L249-L352 HydrophobicContact CD1-CD1 4.37Å
250N93.5Very high93Very high107 Ų10747.9 Ų47.957%0.57226%0.263SS*.BIsolated β-bridgetrans-63.3128.2170.2-68.2-44.6000109.4G350 R351 L352N250-G350 PolarHBondContact N-O 3.49Å; N250-R351 HydrophobicContact CB-CG 4.13Å; N250-R351 WeakPolarHBondContact O-CA 3.22Å; N250-L352 PolarHBondContact O-N 2.84Å
251G93.4Very high93.2Very high4 Ų446 Ų464%0.04126%0.256CS..THydrogen-bonded Turntrans102.4-8.6-172.900000113.8L249 T369 A370L249-G251 PolarHBondContact O-N 3.31Å; G251-T369 CarbonylContact O-C 3.44Å; G251-T369 VanDerWaalsContact O-CA 3.24Å; G251-T369 WeakPolarHBondContact O-CA 3.4Å; G251-A370 PolarHBondContact O-N 3.48Å
252V95.3Very high93.4Very high16 Ų1641.3 Ų41.310%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-94.6120.5170.4-174.10000109.4L249 Y344 L352 A370L249-V252 HydrophobicContact CB-CG2 4.11Å; L249-V252 PolarHBondContact O-N 3.4Å; L249-V252 VanDerWaalsContact O-N 3.11Å; V252-Y344 HydrophobicContact CG1-CD2 4.49Å; V252-Y344 HydrophobicContact CG1-CE2 4.1Å; V252-Y344 HydrophobicContact CG2-CD1 4.41Å; V252-Y344 HydrophobicContact CG2-CD2 4.31Å; V252-Y344 HydrophobicContact CG2-CG 4.17Å; V252-L352 HydrophobicContact CG2-CD1 4.14Å; V252-L352 HydrophobicContact CG2-CD2 4.38Å; V252-A370 CarbonylContact C-O 3.57Å; V252-A370 WeakPolarHBondContact CA-O 3.45Å; V252-A370 HydrophobicContact CG2-CB 4.37Å
253Y94.5Very high93.6Very high36 Ų3639 Ų3914%0.14123%0.225CC..EExtended strand (participates in β ladder)trans-120.1151.5-178.4-63.3-84.5000111.5Y258 Q278 T369 A370 I371 E372Y253-Y258 HydrophobicContact CD2-CD2 4.2Å; Y253-Y258 HydrophobicContact CG-CD2 4.23Å; Y253-Q278 PolarHBondContact OH-OE1 3.17Å; Y253-T369 HydrophobicContact CD2-CG2 3.86Å; Y253-T369 HydrophobicContact CE2-CG2 4.02Å; Y253-A370 PolarHBondContact N-O 3.32Å; Y253-I371 CarbonylContact O-C 3.48Å; Y253-I371 WeakPolarHBondContact O-CA 3.29Å; Y253-E372 PolarHBondContact O-N 2.9Å
254S93.9Very high93.7Very high5 Ų536.7 Ų36.74%0.03520%0.197CC..EExtended strand (participates in β ladder)trans-75.8148.1155.170.50000109.9P239 S256 E257 Y258P239-S254 VanDerWaalsContact CB-CB 3.46Å; S254-S256 PolarHBondContact O-N 3.3Å; S254-E257 PolarHBondContact O-N 3.14Å; S254-E257 WeakPolarHBondContact OG-CB 3.31Å; S254-E257 PolarHBondContact OG-N 2.82Å; S254-Y258 PolarHBondContact O-N 3.46Å
255S92.3Very high93.6Very high5 Ų538.5 Ų38.54%0.03521%0.206CC..Hα-helixtrans-60.9-33.8176.665.60000112.7Y258 L259 V291 E372S255-Y258 PolarHBondContact O-N 3.46Å; S255-L259 VanDerWaalsContact O-CB 3.28Å; S255-L259 WeakPolarHBondContact O-CB 3.33Å; S255-L259 WeakPolarHBondContact O-CG 3.33Å; S255-L259 PolarHBondContact O-N 2.85Å; S255-V291 WeakPolarHBondContact OG-CG1 3.2Å; S255-E372 WeakPolarHBondContact CB-O 3.33Å; S255-E372 PolarHBondContact N-O 3.18Å; S255-E372 PolarHBondContact OG-O 3.08Å
256S89.7Confident93.4Very high14 Ų1433.6 Ų33.610%0.09819%0.185CC..Hα-helixtrans-61-50.6175.6-52.40000110.9S254 Y258 T260 Q376S254-S256 PolarHBondContact O-N 3.3Å; S256-Y258 PolarHBondContact O-N 3.12Å; S256-T260 VanDerWaalsContact O-CB 3.25Å; S256-T260 WeakPolarHBondContact O-CB 3.38Å; S256-T260 PolarHBondContact O-N 3.46Å; S256-T260 PolarHBondContact O-OG1 3.18Å; S256-Q376 PolarHBondContact OG-NE2 2.97Å
257E91.9Very high93.2Very high70 Ų7033 Ų3333%0.32718%0.178SC..Hα-helixtrans-60.3-48.8177.2-176.5-169.2167.400111.4S254 L259 T260 R261S254-E257 PolarHBondContact O-N 3.14Å; S254-E257 WeakPolarHBondContact OG-CB 3.31Å; S254-E257 PolarHBondContact OG-N 2.82Å; E257-L259 PolarHBondContact O-N 3.42Å; E257-T260 PolarHBondContact O-N 3.21Å; E257-R261 WeakPolarHBondContact O-CG 3.48Å; E257-R261 PolarHBondContact O-N 2.9Å; E257-R261 IonicContact OE1-CZ 2.69Å; E257-R261 IonicContact OE1-NE 2.8Å; E257-R261 PolarHBondContact OE1-NE 2.88Å; E257-R261 IonicContact OE1-NH2 2.73Å; E257-R261 PolarHBondContact OE1-NH2 3.07Å
258Y94.5Very high93Very high3 Ų334.5 Ų34.51%0.01218%0.182CC..Hα-helixtrans-60.2-49.9-176.8-172-96.5000111.7Y253 S254 S255 S256 R261 V262 V277 A295 A299 L302 I371Y253-Y258 HydrophobicContact CD2-CD2 4.2Å; Y253-Y258 HydrophobicContact CG-CD2 4.23Å; S254-Y258 PolarHBondContact O-N 3.46Å; S255-Y258 PolarHBondContact O-N 3.46Å; S256-Y258 PolarHBondContact O-N 3.12Å; Y258-R261 PolarHBondContact O-N 3.03Å; Y258-V262 HydrophobicContact CD1-CG2 4.41Å; Y258-V262 HydrophobicContact CE1-CG2 4.19Å; Y258-V262 WeakPolarHBondContact O-CG2 3.42Å; Y258-V262 PolarHBondContact O-N 3.46Å; Y258-V262 VanDerWaalsContact O-N 3.1Å; Y258-V277 HydrophobicContact CE2-CG1 3.99Å; Y258-A295 HydrophobicContact CD1-CB 4.46Å; Y258-A299 WeakPolarHBondContact OH-CA 3.19Å; Y258-L302 VanDerWaalsContact OH-CD1 3.25Å; Y258-L302 WeakPolarHBondContact OH-CD1 3.31Å; Y258-I371 HydrophobicContact CD1-CD1 3.65Å; Y258-I371 HydrophobicContact CD2-CD1 3.8Å; Y258-I371 HydrophobicContact CD2-CG1 4.19Å; Y258-I371 HydrophobicContact CE1-CD1 3.58Å; Y258-I371 HydrophobicContact CE2-CD1 3.75Å; Y258-I371 HydrophobicContact CE2-CG1 4.46Å; Y258-I371 HydrophobicContact CG-CD1 3.74Å; Y258-I371 HydrophobicContact CG-CG1 4.24Å; Y258-I371 HydrophobicContact CG-CG2 4.45Å
259L94.7Very high92.9Very high4 Ų431.7 Ų31.72%0.02116%0.155CC..Hα-helixtrans-71.1-35.5-179-69.1170.8000112.3Y182 P185 S255 E257 R261 V262 N263 V291 D294 A295Y182-L259 CarbonylContact O-C 3.57Å; P185-L259 HydrophobicContact CG-CD2 4.17Å; S255-L259 VanDerWaalsContact O-CB 3.28Å; S255-L259 WeakPolarHBondContact O-CB 3.33Å; S255-L259 WeakPolarHBondContact O-CG 3.33Å; S255-L259 PolarHBondContact O-N 2.85Å; E257-L259 PolarHBondContact O-N 3.42Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 3.19Å; L259-V262 PolarHBondContact O-N 2.93Å; L259-N263 VanDerWaalsContact O-CB 3.27Å; L259-N263 WeakPolarHBondContact O-CB 3.33Å; L259-N263 VanDerWaalsContact O-CG 3.24Å; L259-N263 PolarHBondContact O-N 2.94Å; L259-N263 PolarHBondContact O-ND2 3.45Å; L259-V291 HydrophobicContact CD1-CG1 3.87Å; L259-D294 HydrophobicContact CD1-CB 4.03Å; L259-D294 HydrophobicContact CD2-CB 4.15Å; L259-A295 HydrophobicContact CD2-CB 4.5Å
260T93.2Very high92.6Very high37 Ų3735.7 Ų35.723%0.22717%0.172CC..Hα-helixtrans-60.7-43.1173.2-66.10000111.2Y182 S256 E257 V262 L264 M265Y182-T260 WeakPolarHBondContact CD2-OG1 3.46Å; Y182-T260 PolarHBondContact O-N 2.67Å; S256-T260 VanDerWaalsContact O-CB 3.25Å; S256-T260 WeakPolarHBondContact O-CB 3.38Å; S256-T260 PolarHBondContact O-N 3.46Å; S256-T260 PolarHBondContact O-OG1 3.18Å; E257-T260 PolarHBondContact O-N 3.21Å; T260-V262 VanDerWaalsContact C-N 3.35Å; T260-V262 PolarHBondContact O-N 2.93Å; T260-L264 HydrophobicContact CG2-CB 4.16Å; T260-L264 HydrophobicContact CG2-CD2 4.04Å; T260-L264 WeakPolarHBondContact O-CB 3.36Å; T260-L264 PolarHBondContact O-N 3.26Å; T260-M265 PolarHBondContact O-N 3.43Å; T260-M265 VanDerWaalsContact O-N 3.13Å
261R93.8Very high92.4Very high80 Ų8035.5 Ų35.530%0.30218%0.177SC..Hα-helixtrans-62.1-41.5175.4-71.4173.3-179-91.81.9112.2E257 Y258 L259 M265 G267 T275 V277E257-R261 WeakPolarHBondContact O-CG 3.48Å; E257-R261 PolarHBondContact O-N 2.9Å; E257-R261 IonicContact OE1-CZ 2.69Å; E257-R261 IonicContact OE1-NE 2.8Å; E257-R261 PolarHBondContact OE1-NE 2.88Å; E257-R261 IonicContact OE1-NH2 2.73Å; E257-R261 PolarHBondContact OE1-NH2 3.07Å; Y258-R261 PolarHBondContact O-N 3.03Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 3.19Å; R261-M265 HydrophobicContact CG-SD 4.18Å; R261-M265 CarbonylContact O-C 3.53Å; R261-M265 WeakPolarHBondContact O-CB 3.5Å; R261-G267 PolarHBondContact O-N 3.45Å; R261-T275 HydrophobicContact CB-CG2 4.29Å; R261-T275 HydrophobicContact CG-CG2 4.28Å; R261-V277 HydrophobicContact CB-CG2 4.1Å
262V93.8Very high92.3Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-70.1-50.6179.5175.10000111F23 Y258 L259 T260 H266 G267 Y268 V277 L302F23-V262 HydrophobicContact CE1-CG1 3.69Å; F23-V262 HydrophobicContact CZ-CG1 4.02Å; Y258-V262 HydrophobicContact CD1-CG2 4.41Å; Y258-V262 HydrophobicContact CE1-CG2 4.19Å; Y258-V262 WeakPolarHBondContact O-CG2 3.42Å; Y258-V262 PolarHBondContact O-N 3.46Å; Y258-V262 VanDerWaalsContact O-N 3.1Å; L259-V262 PolarHBondContact O-N 2.93Å; T260-V262 VanDerWaalsContact C-N 3.35Å; T260-V262 PolarHBondContact O-N 2.93Å; V262-H266 VanDerWaalsContact O-CA 3.28Å; V262-H266 WeakPolarHBondContact O-CA 3.41Å; V262-H266 PolarHBondContact O-N 3.29Å; V262-G267 PolarHBondContact O-N 2.87Å; V262-Y268 HydrophobicContact CG1-CD1 4.04Å; V262-Y268 VanDerWaalsContact O-CD1 3.24Å; V262-Y268 WeakPolarHBondContact O-CD1 3.06Å; V262-Y268 WeakPolarHBondContact O-CE1 3.37Å; V262-V277 HydrophobicContact CG2-CG1 4.41Å; V262-V277 HydrophobicContact CG2-CG2 4.13Å; V262-L302 HydrophobicContact CG2-CD1 3.97Å
263N94.6Very high92.1Very high1 Ų145.5 Ų45.51%0.00522%0.218CC..Hα-helixtrans-91.1-51.1-165.5-58-30.4000113.4T181 Y182 G183 P185 L259T181-N263 WeakPolarHBondContact O-CB 3.44Å; Y182-N263 PolarHBondContact O-ND2 3.39Å; Y182-N263 VanDerWaalsContact O-ND2 3.09Å; G183-N263 PolarHBondContact O-ND2 3.38Å; P185-N263 VanDerWaalsContact CA-OD1 3.3Å; P185-N263 WeakPolarHBondContact CA-OD1 3.27Å; L259-N263 VanDerWaalsContact O-CB 3.27Å; L259-N263 WeakPolarHBondContact O-CB 3.33Å; L259-N263 VanDerWaalsContact O-CG 3.24Å; L259-N263 PolarHBondContact O-N 2.94Å; L259-N263 PolarHBondContact O-ND2 3.45Å
264L92.2Very high91.8Very high15 Ų1551 Ų518%0.07925%0.25CS..THydrogen-bonded Turntrans-80.4-34.8-177.5-179.866.3000111.1L173 A175 T181 T260L173-L264 HydrophobicContact CD1-CD2 4.16Å; L173-L264 HydrophobicContact CD2-CD2 4.2Å; A175-L264 HydrophobicContact CB-CD1 4.04Å; T181-L264 HydrophobicContact CG2-CD1 3.77Å; T260-L264 HydrophobicContact CG2-CB 4.16Å; T260-L264 HydrophobicContact CG2-CD2 4.04Å; T260-L264 WeakPolarHBondContact O-CB 3.36Å; T260-L264 PolarHBondContact O-N 3.26Å
265M92.8Very high91.7Very high76 Ų7651.8 Ų51.837%0.37425%0.254SS..SBendtrans-101.25.6-176.9-48.1177.175.600113.4T260 R261 G267 T275T260-M265 PolarHBondContact O-N 3.43Å; T260-M265 VanDerWaalsContact O-N 3.13Å; R261-M265 HydrophobicContact CG-SD 4.18Å; R261-M265 CarbonylContact O-C 3.53Å; R261-M265 WeakPolarHBondContact O-CB 3.5Å; M265-G267 PolarHBondContact O-N 3.47Å; M265-T275 HydrophobicContact CB-CG2 3.76Å; M265-T275 WeakPolarHBondContact CB-OG1 3.45Å; M265-T275 HydrophobicContact CE-CG2 3.69Å; M265-T275 WeakPolarHBondContact CE-OG1 3.07Å; M265-T275 HydrophobicContact CG-CG2 4.41Å; M265-T275 HydrophobicContact SD-CG2 3.81Å
266H91.5Very high91.5Very high43 Ų4354.9 Ų54.920%0.19928%0.275CS..  trans53.134.6176.3-58.7-83.9000114.8V262 Y268 Q269 Y273V262-H266 VanDerWaalsContact O-CA 3.28Å; V262-H266 WeakPolarHBondContact O-CA 3.41Å; V262-H266 PolarHBondContact O-N 3.29Å; H266-Y268 HydrophobicContact CB-CE1 4.36Å; H266-Y268 PolarHBondContact ND1-OH 3.44Å; H266-Y268 PolarHBondContact O-N 3.14Å; H266-Q269 PolarHBondContact O-N 2.88Å; H266-Y273 HydrophobicContact CB-CD1 3.57Å; H266-Y273 HydrophobicContact CB-CD2 3.58Å; H266-Y273 HydrophobicContact CB-CE1 3.77Å; H266-Y273 HydrophobicContact CB-CE2 3.77Å; H266-Y273 HydrophobicContact CB-CG 3.46Å; H266-Y273 VanDerWaalsContact CB-CG 3.46Å; H266-Y273 AromaticContact CD2-CD1 3.76Å; H266-Y273 AromaticContact CD2-CE1 3.3Å; H266-Y273 WeakPolarHBondContact CD2-CE1 3.37Å; H266-Y273 AromaticContact CD2-CZ 3.73Å; H266-Y273 AromaticContact CG-CD1 3.91Å; H266-Y273 AromaticContact CG-CE1 3.61Å; H266-Y273 AromaticContact CG-CZ 3.67Å
267G90Very high91.4Very high5 Ų555.2 Ų55.25%0.05228%0.276CS..G310 helixtrans-64.4-12.6-171.300000115.7R261 V262 M265 Q269 T275R261-G267 PolarHBondContact O-N 3.45Å; V262-G267 PolarHBondContact O-N 2.87Å; M265-G267 PolarHBondContact O-N 3.47Å; G267-Q269 VanDerWaalsContact C-N 3.25Å; G267-Q269 PolarHBondContact O-N 3.3Å; G267-T275 WeakPolarHBondContact CA-O 2.97Å
268Y89.9Confident91.1Very high58 Ų5855.2 Ų55.223%0.22728%0.276CS..G310 helixtrans-72.1-15.5170.962.9-85.7000113.7F23 V262 H266F23-Y268 HydrophobicContact CB-CD2 4.24Å; F23-Y268 HydrophobicContact CB-CE2 4.18Å; F23-Y268 HydrophobicContact CD1-CD1 4.42Å; F23-Y268 HydrophobicContact CD1-CG 4.4Å; F23-Y268 AromaticContact CD2-CD2 3.73Å; F23-Y268 HydrophobicContact CD2-CD2 3.73Å; F23-Y268 AromaticContact CD2-CG 3.8Å; F23-Y268 HydrophobicContact CD2-CG 3.8Å; F23-Y268 HydrophobicContact CE1-CD1 4.47Å; F23-Y268 HydrophobicContact CE1-CG 4.48Å; F23-Y268 VanDerWaalsContact CE2-CB 3.43Å; F23-Y268 HydrophobicContact CE2-CD2 4.26Å; F23-Y268 AromaticContact CE2-CG 3.89Å; F23-Y268 HydrophobicContact CE2-CG 3.89Å; F23-Y268 HydrophobicContact CG-CD1 4.47Å; F23-Y268 AromaticContact CG-CD2 3.97Å; F23-Y268 HydrophobicContact CG-CD2 3.97Å; F23-Y268 HydrophobicContact CG-CE2 4.33Å; F23-Y268 HydrophobicContact CG-CG 4.07Å; F23-Y268 HydrophobicContact CZ-CG 4.24Å; V262-Y268 HydrophobicContact CG1-CD1 4.04Å; V262-Y268 VanDerWaalsContact O-CD1 3.24Å; V262-Y268 WeakPolarHBondContact O-CD1 3.06Å; V262-Y268 WeakPolarHBondContact O-CE1 3.37Å; H266-Y268 HydrophobicContact CB-CE1 4.36Å; H266-Y268 PolarHBondContact ND1-OH 3.44Å; H266-Y268 PolarHBondContact O-N 3.14Å
269Q90.4Very high90.6Very high61 Ų6163.9 Ų63.929%0.28531%0.314SS..G310 helixtrans-100.85.8177.3-60.5-171.3-100.600113.2H266 G267 E272 Y273H266-Q269 PolarHBondContact O-N 2.88Å; G267-Q269 VanDerWaalsContact C-N 3.25Å; G267-Q269 PolarHBondContact O-N 3.3Å; Q269-E272 HydrophobicContact CB-CB 4.21Å; Q269-E272 PolarHBondContact NE2-OE2 3.06Å; Q269-E272 WeakPolarHBondContact O-CA 3.22Å; Q269-E272 WeakPolarHBondContact O-CB 3.33Å; Q269-E272 PolarHBondContact O-N 3.33Å; Q269-Y273 HydrophobicContact CB-CD2 3.75Å; Q269-Y273 HydrophobicContact CB-CE2 4.26Å; Q269-Y273 HydrophobicContact CG-CD2 4.5Å
270F88.9Confident90.5Very high109 Ų10964.1 Ų64.148%0.47832%0.315SS..THydrogen-bonded Turntrans-53.6132.8177.1-179.5-88.3000111.5Y273 P276F270-Y273 VanDerWaalsContact CD2-O 3.24Å; F270-Y273 WeakPolarHBondContact CD2-O 3.4Å; F270-P276 HydrophobicContact CD2-CB 4Å; F270-P276 HydrophobicContact CE2-CB 4.07Å; F270-P276 HydrophobicContact CG-CB 4.29Å; F270-P276 HydrophobicContact CZ-CB 4.41Å
271P89.8Confident90.5Very high104 Ų10468.7 Ų68.768%0.67533%0.332SS*.THydrogen-bonded Turncis-94.91211.738.6-37.2000115.6Y273P271-Y273 PolarHBondContact O-N 3.08Å
272E91.6Very high90.7Very high139 Ų13967 Ų6765%0.6533%0.329SS*.SBendtrans-58.9-38.2174.2-171.5-172.3164.500111.3Q269Q269-E272 HydrophobicContact CB-CB 4.21Å; Q269-E272 PolarHBondContact NE2-OE2 3.06Å; Q269-E272 WeakPolarHBondContact O-CA 3.22Å; Q269-E272 WeakPolarHBondContact O-CB 3.33Å; Q269-E272 PolarHBondContact O-N 3.33Å
273Y89.8Confident90.9Very high90 Ų9067.2 Ų67.235%0.35333%0.33SS..SBendtrans-107.5145.7168.2-71.6-102.6000110.1H266 Q269 F270 P271 T275H266-Y273 HydrophobicContact CB-CD1 3.57Å; H266-Y273 HydrophobicContact CB-CD2 3.58Å; H266-Y273 HydrophobicContact CB-CE1 3.77Å; H266-Y273 HydrophobicContact CB-CE2 3.77Å; H266-Y273 HydrophobicContact CB-CG 3.46Å; H266-Y273 VanDerWaalsContact CB-CG 3.46Å; H266-Y273 AromaticContact CD2-CD1 3.76Å; H266-Y273 AromaticContact CD2-CE1 3.3Å; H266-Y273 WeakPolarHBondContact CD2-CE1 3.37Å; H266-Y273 AromaticContact CD2-CZ 3.73Å; H266-Y273 AromaticContact CG-CD1 3.91Å; H266-Y273 AromaticContact CG-CE1 3.61Å; H266-Y273 AromaticContact CG-CZ 3.67Å; Q269-Y273 HydrophobicContact CB-CD2 3.75Å; Q269-Y273 HydrophobicContact CB-CE2 4.26Å; Q269-Y273 HydrophobicContact CG-CD2 4.5Å; F270-Y273 VanDerWaalsContact CD2-O 3.24Å; F270-Y273 WeakPolarHBondContact CD2-O 3.4Å; P271-Y273 PolarHBondContact O-N 3.08Å; Y273-T275 PolarHBondContact O-N 2.87Å; Y273-T275 VanDerWaalsContact O-N 3.11Å
274D89.6Confident91.1Very high153 Ų15367.2 Ų67.282%0.81833%0.33SS*.SBendtrans-69.5-9.7-171.8-68-31000114.6P276D274-P276 WeakPolarHBondContact O-CD 3.36Å
275T90.8Very high91.3Very high20 Ų2066.5 Ų66.512%0.12333%0.327CS..  trans-94.6108.8-174-58.30000111.4R261 M265 G267 Y273R261-T275 HydrophobicContact CB-CG2 4.29Å; R261-T275 HydrophobicContact CG-CG2 4.28Å; M265-T275 HydrophobicContact CB-CG2 3.76Å; M265-T275 WeakPolarHBondContact CB-OG1 3.45Å; M265-T275 HydrophobicContact CE-CG2 3.69Å; M265-T275 WeakPolarHBondContact CE-OG1 3.07Å; M265-T275 HydrophobicContact CG-CG2 4.41Å; M265-T275 HydrophobicContact SD-CG2 3.81Å; G267-T275 WeakPolarHBondContact CA-O 2.97Å; Y273-T275 PolarHBondContact O-N 2.87Å; Y273-T275 VanDerWaalsContact O-N 3.11Å
276P88.8Confident91.6Very high71 Ų7163 Ų6346%0.46131%0.31SS..  trans-75.3148.5173.631.5-35.5000111.5F270 D274F270-P276 HydrophobicContact CD2-CB 4Å; F270-P276 HydrophobicContact CE2-CB 4.07Å; F270-P276 HydrophobicContact CG-CB 4.29Å; F270-P276 HydrophobicContact CZ-CB 4.41Å; D274-P276 WeakPolarHBondContact O-CD 3.36Å
277V87.6Confident91.7Very high21 Ų2161.3 Ų61.313%0.12730%0.304CS..  trans-118.2136.2164.7-179.90000108.2Y258 R261 V262 K279 L302Y258-V277 HydrophobicContact CE2-CG1 3.99Å; R261-V277 HydrophobicContact CB-CG2 4.1Å; V262-V277 HydrophobicContact CG2-CG1 4.41Å; V262-V277 HydrophobicContact CG2-CG2 4.13Å; V277-K279 PolarHBondContact O-N 2.73Å; V277-K279 VanDerWaalsContact O-N 3.09Å; V277-L302 HydrophobicContact CB-CD1 4.47Å; V277-L302 HydrophobicContact CG1-CD1 3.7Å
278Q84.4Confident91.9Very high69 Ų6961.2 Ų61.232%0.32230%0.303SS..  trans-60.7114.9-178.4-178.4179.9-31.700110.6Y253 S280 D368 T369Y253-Q278 PolarHBondContact OH-OE1 3.17Å; Q278-S280 PolarHBondContact O-N 2.92Å; Q278-S280 PolarHBondContact O-OG 2.92Å; Q278-D368 PolarHBondContact NE2-O 3.25Å; Q278-D368 VanDerWaalsContact NE2-O 3.16Å; Q278-T369 PolarHBondContact NE2-OG1 3.3Å
279K84.9Confident92Very high186 Ų18659.4 Ų59.481%0.80930%0.302SS*.  trans-68.1117.8167.7-68.7-169.6176.9-173.70108.6V277V277-K279 PolarHBondContact O-N 2.73Å; V277-K279 VanDerWaalsContact O-N 3.09Å
280S91.7Very high92Very high8 Ų858.5 Ų58.56%0.05630%0.299CS..  trans-125.7137.5-169.9-56.20000108Q278 A304 D368 T369Q278-S280 PolarHBondContact O-N 2.92Å; Q278-S280 PolarHBondContact O-OG 2.92Å; S280-A304 WeakPolarHBondContact O-CA 3.26Å; S280-A304 WeakPolarHBondContact O-CB 3.38Å; S280-D368 VanDerWaalsContact CB-OD1 3.27Å; S280-D368 WeakPolarHBondContact CB-OD1 3.44Å; S280-T369 WeakPolarHBondContact OG-CB 3.3Å; S280-T369 PolarHBondContact OG-OG1 2.82Å
281K94.5Very high92.2Very high134 Ų13456 Ų5658%0.58329%0.292SS*.SBendtrans-85.7-39.3177.3-68.9-174176.6-174.70111.8D305 K306 D368K281-D305 PolarHBondContact O-N 3.14Å; K281-K306 PolarHBondContact O-N 3.39Å; K281-D368 PolarHBondContact N-OD1 2.87Å; K281-D368 VanDerWaalsContact N-OD1 3.16Å; K281-D368 PolarHBondContact N-OD2 2.9Å
282N97.3Very high92.5Very high45 Ų4551 Ų5124%0.24126%0.26CS..EExtended strand (participates in β ladder)trans-126.5103.1-173.5-65.7-39.7000109.3K306 E366 A367 D368 T369N282-K306 CarbonylContact C-O 3.49Å; N282-K306 WeakPolarHBondContact CA-O 3.38Å; N282-K306 WeakPolarHBondContact OD1-CB 3.37Å; N282-E366 WeakPolarHBondContact CB-O 3.34Å; N282-A367 CarbonylContact O-C 3.59Å; N282-A367 WeakPolarHBondContact O-CA 3.2Å; N282-D368 PolarHBondContact N-OD1 2.89Å; N282-D368 PolarHBondContact O-N 3.3Å; N282-T369 PolarHBondContact O-N 3.45Å
283V97.9Very high92.7Very high3 Ų344.4 Ų44.42%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-107.4129.4-176.3-177.90000110.8V285 A299 A304 K306 V307 S308 T369 I371V283-V285 HydrophobicContact CG1-CG2 4.13Å; V283-A299 HydrophobicContact CB-CB 4.16Å; V283-A299 HydrophobicContact CG1-CB 3.84Å; V283-A299 HydrophobicContact CG2-CB 4.11Å; V283-A304 HydrophobicContact CG2-CB 3.81Å; V283-K306 PolarHBondContact N-O 3.23Å; V283-V307 HydrophobicContact CB-CG1 4.28Å; V283-V307 HydrophobicContact CB-CG2 4.28Å; V283-V307 HydrophobicContact CG1-CG1 4.49Å; V283-V307 CarbonylContact O-C 3.55Å; V283-V307 VanDerWaalsContact O-CA 3.31Å; V283-V307 WeakPolarHBondContact O-CA 3.36Å; V283-S308 PolarHBondContact O-N 3.41Å; V283-T369 WeakPolarHBondContact CA-O 3.38Å; V283-T369 HydrophobicContact CG1-CG2 4.16Å; V283-I371 HydrophobicContact CG1-CD1 3.91Å; V283-I371 HydrophobicContact CG1-CG1 4.42Å
284V98.1Very high93Very high1 Ų140.3 Ų40.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-109.9124.7171.9172.90000109.7I286 S308 V310 V355 I365 A367 T369 A370 I371V284-I286 HydrophobicContact CG1-CD1 4.09Å; V284-S308 CarbonylContact C-O 3.59Å; V284-S308 WeakPolarHBondContact CA-O 3.45Å; V284-V310 HydrophobicContact CG1-CB 4.45Å; V284-V310 HydrophobicContact CG1-CG2 3.67Å; V284-V355 HydrophobicContact CB-CG2 4.03Å; V284-V355 HydrophobicContact CG1-CG2 4.14Å; V284-V355 HydrophobicContact CG2-CG2 4.15Å; V284-I365 HydrophobicContact CG2-CB 4.33Å; V284-I365 HydrophobicContact CG2-CG2 3.67Å; V284-A367 HydrophobicContact CB-CB 4.17Å; V284-A367 HydrophobicContact CG2-CB 3.59Å; V284-T369 PolarHBondContact N-O 3.42Å; V284-A370 CarbonylContact O-C 3.47Å; V284-A370 WeakPolarHBondContact O-CA 3.34Å; V284-I371 PolarHBondContact O-N 3.43Å
285V98Very high93.3Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-110.4128.2176.4-175.90000109.7V283 A292 A295 A296 S308 I309 V310 I371 A373V283-V285 HydrophobicContact CG1-CG2 4.13Å; V285-A292 HydrophobicContact CG1-CB 4.02Å; V285-A295 HydrophobicContact CG1-CB 4.14Å; V285-A295 HydrophobicContact CG2-CB 4.49Å; V285-A296 HydrophobicContact CB-CB 4.35Å; V285-A296 HydrophobicContact CG2-CB 3.88Å; V285-S308 PolarHBondContact N-O 3.48Å; V285-I309 HydrophobicContact CB-CG1 4.23Å; V285-I309 CarbonylContact O-C 3.42Å; V285-I309 WeakPolarHBondContact O-CA 3.44Å; V285-V310 PolarHBondContact O-N 2.94Å; V285-I371 WeakPolarHBondContact CA-O 3.5Å; V285-I371 HydrophobicContact CG1-CB 4.44Å; V285-I371 HydrophobicContact CG2-CB 4.25Å; V285-I371 HydrophobicContact CG2-CD1 4.17Å; V285-A373 HydrophobicContact CG1-CB 4.32Å
286I97.6Very high93.6Very high4 Ų432.1 Ų32.12%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-103.4109-174.5-55.475.5000108.9V284 P341 Y344 A370 I371 E372 A373 I374V284-I286 HydrophobicContact CG1-CD1 4.09Å; I286-P341 HydrophobicContact CG1-CG 3.67Å; I286-P341 HydrophobicContact CG2-CG 3.94Å; I286-Y344 HydrophobicContact CD1-CE1 4.49Å; I286-A370 HydrophobicContact CD1-CB 4.15Å; I286-I371 WeakPolarHBondContact CD1-O 3.14Å; I286-I371 PolarHBondContact N-O 3.43Å; I286-E372 HydrophobicContact CD1-CG 4.41Å; I286-A373 CarbonylContact O-C 3.5Å; I286-A373 WeakPolarHBondContact O-CA 3.34Å; I286-A373 PolarHBondContact O-N 3.37Å; I286-I374 HydrophobicContact CB-CG2 4.42Å; I286-I374 HydrophobicContact CG2-CG2 3.81Å; I286-I374 WeakPolarHBondContact O-CG2 3.15Å
287G95.3Very high94Very high7 Ų728.7 Ų28.77%0.07215%0.146CC..  trans142.9170.1-178.900000113I309 V310G287-I309 WeakPolarHBondContact O-CG2 3.45Å; G287-V310 PolarHBondContact N-O 3.17Å
288G92.8Very high94.3Very high3 Ų327.7 Ų27.73%0.03114%0.14CC..SBendtrans-133.49.8-179.200000114.3L318 P319 A320G288-L318 WeakPolarHBondContact O-CD1 3.49Å; G288-P319 WeakPolarHBondContact O-CD 3.45Å; G288-P319 WeakPolarHBondContact O-CG 3.46Å; G288-A320 WeakPolarHBondContact O-CB 3.44Å; G288-A320 PolarHBondContact O-N 3Å; G288-A320 VanDerWaalsContact O-N 3.1Å
289G92Very high94.9Very high20 Ų2024.5 Ų24.521%0.20613%0.125CC..SBendtrans-87.7176.717800000113V291 A292 M293G289-V291 PolarHBondContact O-N 3.13Å; G289-A292 WeakPolarHBondContact O-CA 3.06Å; G289-A292 WeakPolarHBondContact O-CB 3.36Å; G289-A292 PolarHBondContact O-N 3.25Å; G289-M293 PolarHBondContact O-N 2.58Å; G289-M293 VanDerWaalsContact O-N 3.14Å
290N91.6Very high95.4Very high42 Ų4217.4 Ų17.423%0.22510%0.095CC..Hα-helixtrans-55.8-39175.8-71.9-29.9000112.2A292 M293 D294 A320 R321N290-A292 PolarHBondContact O-N 2.9Å; N290-M293 WeakPolarHBondContact O-CB 2.94Å; N290-M293 PolarHBondContact O-N 3.14Å; N290-M293 VanDerWaalsContact O-N 3.08Å; N290-D294 WeakPolarHBondContact O-CB 3.44Å; N290-D294 PolarHBondContact O-N 3.49Å; N290-A320 WeakPolarHBondContact OD1-CA 3.4Å; N290-R321 PolarHBondContact OD1-N 2.85Å
291V93.2Very high95.5Very high55 Ų5517.8 Ų17.833%0.33310%0.095SC..Hα-helixtrans-59.6-35.1176-179.50000112.3S255 L259 G289 A295 A373S255-V291 WeakPolarHBondContact OG-CG1 3.2Å; L259-V291 HydrophobicContact CD1-CG1 3.87Å; G289-V291 PolarHBondContact O-N 3.13Å; V291-A295 WeakPolarHBondContact O-CB 3.36Å; V291-A295 PolarHBondContact O-N 3.46Å; V291-A373 HydrophobicContact CG1-CB 4.24Å
292A95.5Very high95.5Very high0 Ų013 Ų130%08%0.076CC..Hα-helixtrans-70.6-41.1175.300000111.2V285 G289 N290 D294 A295 A296 A373V285-A292 HydrophobicContact CG1-CB 4.02Å; G289-A292 WeakPolarHBondContact O-CA 3.06Å; G289-A292 WeakPolarHBondContact O-CB 3.36Å; G289-A292 PolarHBondContact O-N 3.25Å; N290-A292 PolarHBondContact O-N 2.9Å; A292-D294 VanDerWaalsContact C-N 3.34Å; A292-A295 PolarHBondContact O-N 3.05Å; A292-A296 WeakPolarHBondContact O-CB 3.31Å; A292-A296 PolarHBondContact O-N 3.31Å; A292-A373 HydrophobicContact CB-CB 3.75Å
293M95.7Very high95.2Very high0 Ų013.5 Ų13.50%09%0.091CC..Hα-helixtrans-61.8-44.1174.3-59-57.4163.100111.3G289 N290 A296 R297 I309 L318 A320 E324 Y335G289-M293 PolarHBondContact O-N 2.58Å; G289-M293 VanDerWaalsContact O-N 3.14Å; N290-M293 WeakPolarHBondContact O-CB 2.94Å; N290-M293 PolarHBondContact O-N 3.14Å; N290-M293 VanDerWaalsContact O-N 3.08Å; M293-A296 PolarHBondContact O-N 3.38Å; M293-R297 WeakPolarHBondContact O-CB 3.29Å; M293-R297 WeakPolarHBondContact O-CG 3.28Å; M293-R297 PolarHBondContact O-N 2.85Å; M293-I309 HydrophobicContact CE-CD1 4.06Å; M293-I309 HydrophobicContact SD-CD1 3.65Å; M293-L318 HydrophobicContact CE-CD1 3.85Å; M293-L318 HydrophobicContact CE-CD2 3.89Å; M293-L318 HydrophobicContact CE-CG 4.29Å; M293-A320 HydrophobicContact CE-CB 3.74Å; M293-A320 HydrophobicContact CG-CB 3.67Å; M293-E324 HydrophobicContact CB-CB 4.3Å; M293-E324 HydrophobicContact CG-CB 4.36Å; M293-Y335 HydrophobicContact CE-CE1 4.08Å; M293-Y335 WeakPolarHBondContact CE-OH 3.14Å; M293-Y335 PolarHBondContact SD-OH 3.09Å
294D95.6Very high95Very high5 Ų513.5 Ų13.53%0.0279%0.092CC..Hα-helixtrans-60.7-46.9178.1-69-21.5000111P185 R188 L259 N290 A292 S298P185-D294 VanDerWaalsContact CD-CG 3.41Å; P185-D294 HydrophobicContact CG-CB 3.71Å; R188-D294 WeakPolarHBondContact CD-OD1 3.49Å; R188-D294 IonicContact CZ-OD1 2.64Å; R188-D294 IonicContact NE-OD1 3.27Å; R188-D294 IonicContact NH1-OD1 2.74Å; R188-D294 PolarHBondContact NH1-OD1 3.33Å; R188-D294 IonicContact NH1-OD2 3.5Å; R188-D294 PolarHBondContact NH1-OD2 3.5Å; L259-D294 HydrophobicContact CD1-CB 4.03Å; L259-D294 HydrophobicContact CD2-CB 4.15Å; N290-D294 WeakPolarHBondContact O-CB 3.44Å; N290-D294 PolarHBondContact O-N 3.49Å; A292-D294 VanDerWaalsContact C-N 3.34Å; D294-S298 WeakPolarHBondContact O-CB 3.13Å; D294-S298 PolarHBondContact O-N 3.06Å; D294-S298 PolarHBondContact O-OG 3.42Å
295A96Very high94.8Very high0 Ų018.8 Ų18.80%012%0.12CC..Hα-helixtrans-64.6-46.7177.700000112.3Y258 L259 V285 V291 A292 S298 A299 I371Y258-A295 HydrophobicContact CD1-CB 4.46Å; L259-A295 HydrophobicContact CD2-CB 4.5Å; V285-A295 HydrophobicContact CG1-CB 4.14Å; V285-A295 HydrophobicContact CG2-CB 4.49Å; V291-A295 WeakPolarHBondContact O-CB 3.36Å; V291-A295 PolarHBondContact O-N 3.46Å; A292-A295 PolarHBondContact O-N 3.05Å; A295-S298 PolarHBondContact O-N 3.36Å; A295-A299 WeakPolarHBondContact O-CB 3.21Å; A295-A299 PolarHBondContact O-N 2.84Å; A295-I371 HydrophobicContact CB-CD1 4.28Å; A295-I371 HydrophobicContact CB-CG2 4Å
296A97.1Very high94.8Very high0 Ų022.6 Ų22.60%014%0.136CC..Hα-helixtrans-64.2-44.6-178.700000112V285 A292 M293 A299 K300 V307 I309 I333V285-A296 HydrophobicContact CB-CB 4.35Å; V285-A296 HydrophobicContact CG2-CB 3.88Å; A292-A296 WeakPolarHBondContact O-CB 3.31Å; A292-A296 PolarHBondContact O-N 3.31Å; M293-A296 PolarHBondContact O-N 3.38Å; A296-A299 WeakPolarHBondContact O-CB 3.47Å; A296-A299 PolarHBondContact O-N 3.04Å; A296-K300 PolarHBondContact O-N 3.25Å; A296-V307 HydrophobicContact CB-CG1 3.92Å; A296-I309 HydrophobicContact CB-CD1 3.83Å; A296-I309 HydrophobicContact CB-CG1 3.91Å; A296-I333 HydrophobicContact CB-CD1 4.37Å; A296-I333 HydrophobicContact CB-CG2 4.19Å
297R96.5Very high94.8Very high0 Ų022.4 Ų22.40%014%0.135CC..Hα-helixtrans-72.8-32.9-179.2-68.2176.869.8-165.14.9112.5F187 M293 R301 E324 H327 E331 I333F187-R297 HydrophobicContact CE1-CB 4.36Å; F187-R297 HydrophobicContact CE2-CB 3.97Å; F187-R297 HydrophobicContact CZ-CB 3.56Å; M293-R297 WeakPolarHBondContact O-CB 3.29Å; M293-R297 WeakPolarHBondContact O-CG 3.28Å; M293-R297 PolarHBondContact O-N 2.85Å; R297-R301 WeakPolarHBondContact O-CD 3.49Å; R297-R301 WeakPolarHBondContact O-CG 3.49Å; R297-R301 PolarHBondContact O-N 3.28Å; R297-R301 PolarHBondContact O-NH1 3.4Å; R297-R301 VanDerWaalsContact O-NH1 3.08Å; R297-E324 IonicContact CZ-OE2 2.84Å; R297-E324 IonicContact NH1-OE2 3.61Å; R297-E324 PolarHBondContact NH1-OE2 2.76Å; R297-H327 VanDerWaalsContact NH2-CB 3.29Å; R297-E331 WeakPolarHBondContact CG-OE2 3.41Å; R297-E331 IonicContact CZ-OE1 3.53Å; R297-E331 IonicContact CZ-OE2 3.51Å; R297-E331 IonicContact NE-OE1 2.94Å; R297-E331 PolarHBondContact NE-OE1 3.06Å; R297-E331 IonicContact NE-OE2 3.22Å; R297-E331 PolarHBondContact NE-OE2 3.31Å; R297-E331 IonicContact NH2-OE1 3.29Å; R297-E331 PolarHBondContact NH2-OE1 3.11Å; R297-E331 IonicContact NH2-OE2 3.4Å; R297-I333 HydrophobicContact CG-CG1 4.49Å
298S95.7Very high94.9Very high0 Ų022.2 Ų22.20%013%0.133CC..Hα-helixtrans-64.6-44.1168-71.90000111.8P185 D294 A295 K300 R301 L302P185-S298 WeakPolarHBondContact CG-OG 3.44Å; D294-S298 WeakPolarHBondContact O-CB 3.13Å; D294-S298 PolarHBondContact O-N 3.06Å; D294-S298 PolarHBondContact O-OG 3.42Å; A295-S298 PolarHBondContact O-N 3.36Å; S298-K300 VanDerWaalsContact C-N 3.3Å; S298-K300 PolarHBondContact O-N 2.8Å; S298-R301 PolarHBondContact O-N 2.93Å; S298-L302 WeakPolarHBondContact O-CG 3.39Å; S298-L302 PolarHBondContact O-N 2.87Å
299A95.7Very high95.1Very high1 Ų122 Ų221%0.00813%0.131CC..Hα-helixtrans-60.4-40.1177.500000112.1Y258 V283 A295 A296 L302 A304 V307Y258-A299 WeakPolarHBondContact OH-CA 3.19Å; V283-A299 HydrophobicContact CB-CB 4.16Å; V283-A299 HydrophobicContact CG1-CB 3.84Å; V283-A299 HydrophobicContact CG2-CB 4.11Å; A295-A299 WeakPolarHBondContact O-CB 3.21Å; A295-A299 PolarHBondContact O-N 2.84Å; A296-A299 WeakPolarHBondContact O-CB 3.47Å; A296-A299 PolarHBondContact O-N 3.04Å; A299-L302 PolarHBondContact O-N 2.79Å; A299-A304 WeakPolarHBondContact O-CB 3.21Å; A299-A304 PolarHBondContact O-N 3.28Å; A299-V307 HydrophobicContact CB-CG1 4.45Å; A299-V307 HydrophobicContact CB-CG2 4.29Å
300K95.5Very high95.4Very high38 Ų3821.1 Ų21.117%0.16512%0.122CC..Hα-helixtrans-60.8-45.8175.1-169.964.1-178.2167.90111.9N20 A296 S298 L302 G303 A304 D305 V307 I333N20-K300 HydrophobicContact CB-CG 4.12Å; A296-K300 PolarHBondContact O-N 3.25Å; S298-K300 VanDerWaalsContact C-N 3.3Å; S298-K300 PolarHBondContact O-N 2.8Å; K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 3Å; K300-G303 PolarHBondContact O-N 3.13Å; K300-A304 WeakPolarHBondContact CD-O 3.34Å; K300-A304 PolarHBondContact NZ-O 3.38Å; K300-D305 PolarHBondContact NZ-O 3.46Å; K300-V307 HydrophobicContact CB-CG2 4.13Å; K300-V307 HydrophobicContact CD-CG2 4.07Å; K300-I333 HydrophobicContact CB-CD1 3.87Å; K300-I333 HydrophobicContact CD-CD1 4.49Å; K300-I333 HydrophobicContact CG-CD1 4.27Å
301R94.6Very high95.7Very high15 Ų1519.9 Ų19.96%0.05711%0.114CC..Hα-helixtrans-66.9-25.2178-70.6164.916973.10.8114.1R19 N20 N22 F23 F187 R297 S298 G303 E331R19-R301 PolarHBondContact O-NE 2.81Å; R19-R301 PolarHBondContact O-NH2 3.27Å; N20-R301 WeakPolarHBondContact O-CA 3.45Å; N22-R301 WeakPolarHBondContact O-CD 3.47Å; N22-R301 VanDerWaalsContact O-CG 3.27Å; N22-R301 WeakPolarHBondContact O-CG 3.2Å; N22-R301 PolarHBondContact O-NE 3.4Å; F23-R301 HydrophobicContact CD2-CB 4.01Å; F23-R301 HydrophobicContact CE1-CB 4.39Å; F23-R301 HydrophobicContact CE2-CB 3.47Å; F23-R301 VanDerWaalsContact CE2-CB 3.47Å; F23-R301 HydrophobicContact CZ-CB 3.69Å; F187-R301 VanDerWaalsContact CD1-CD 3.42Å; R297-R301 WeakPolarHBondContact O-CD 3.49Å; R297-R301 WeakPolarHBondContact O-CG 3.49Å; R297-R301 PolarHBondContact O-N 3.28Å; R297-R301 PolarHBondContact O-NH1 3.4Å; R297-R301 VanDerWaalsContact O-NH1 3.08Å; S298-R301 PolarHBondContact O-N 2.93Å; R301-G303 PolarHBondContact O-N 2.83Å; R301-E331 IonicContact CZ-OE1 2.74Å; R301-E331 IonicContact CZ-OE2 3.09Å; R301-E331 IonicContact NH1-OE1 2.97Å; R301-E331 PolarHBondContact NH1-OE1 2.99Å; R301-E331 IonicContact NH1-OE2 3.35Å; R301-E331 PolarHBondContact NH1-OE2 3.03Å; R301-E331 IonicContact NH2-OE1 3.28Å; R301-E331 PolarHBondContact NH2-OE1 3.25Å; R301-E331 IonicContact NH2-OE2 3.92Å
302L93.1Very high95.7Very high35 Ų3524.9 Ų24.918%0.18313%0.127CC..THydrogen-bonded Turntrans-77.2-0.7172.6-72.7165.1000113.5F23 Y258 V262 V277 S298 A299 K300F23-L302 HydrophobicContact CE2-CD2 4.36Å; F23-L302 HydrophobicContact CE2-CG 4.35Å; F23-L302 HydrophobicContact CZ-CD2 4.39Å; F23-L302 HydrophobicContact CZ-CG 4.09Å; Y258-L302 VanDerWaalsContact OH-CD1 3.25Å; Y258-L302 WeakPolarHBondContact OH-CD1 3.31Å; V262-L302 HydrophobicContact CG2-CD1 3.97Å; V277-L302 HydrophobicContact CB-CD1 4.47Å; V277-L302 HydrophobicContact CG1-CD1 3.7Å; S298-L302 WeakPolarHBondContact O-CG 3.39Å; S298-L302 PolarHBondContact O-N 2.87Å; A299-L302 PolarHBondContact O-N 2.79Å; K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 3Å
303G91.8Very high95.7Very high54 Ų5429.9 Ų29.956%0.55715%0.146SC*.THydrogen-bonded Turntrans99.422.5173.800000115K300 R301 D305K300-G303 PolarHBondContact O-N 3.13Å; R301-G303 PolarHBondContact O-N 2.83Å; G303-D305 PolarHBondContact O-N 2.92Å
304A94.9Very high95.6Very high4 Ų431.1 Ų31.13%0.03316%0.155CC..  trans-69.1126172.600000111.9S280 V283 A299 K300 V307S280-A304 WeakPolarHBondContact O-CA 3.26Å; S280-A304 WeakPolarHBondContact O-CB 3.38Å; V283-A304 HydrophobicContact CG2-CB 3.81Å; A299-A304 WeakPolarHBondContact O-CB 3.21Å; A299-A304 PolarHBondContact O-N 3.28Å; K300-A304 WeakPolarHBondContact CD-O 3.34Å; K300-A304 PolarHBondContact NZ-O 3.38Å; A304-V307 HydrophobicContact CB-CG2 3.53Å
305D93.4Very high95.5Very high111 Ų11134.5 Ų34.559%0.59417%0.172SC*.SBendtrans-61.8-50176.6-66.9-34.7000109.6K281 K300 G303K281-D305 PolarHBondContact O-N 3.14Å; K300-D305 PolarHBondContact NZ-O 3.46Å; G303-D305 PolarHBondContact O-N 2.92Å
306K96.9Very high95.3Very high80 Ų8043.6 Ų43.635%0.34822%0.215SC..EExtended strand (participates in β ladder)trans-124.4128.2-179.8-168.2173.1177.21540110.8K281 N282 V283 E334K281-K306 PolarHBondContact O-N 3.39Å; N282-K306 CarbonylContact C-O 3.49Å; N282-K306 WeakPolarHBondContact CA-O 3.38Å; N282-K306 WeakPolarHBondContact OD1-CB 3.37Å; V283-K306 PolarHBondContact N-O 3.23Å; K306-E334 VanDerWaalsContact CE-OE1 3.23Å; K306-E334 WeakPolarHBondContact CE-OE1 3.47Å; K306-E334 WeakPolarHBondContact CE-OE2 3.32Å; K306-E334 IonicContact NZ-OE1 2.67Å; K306-E334 PolarHBondContact NZ-OE1 3.18Å; K306-E334 IonicContact NZ-OE2 2.84Å; K306-E334 PolarHBondContact NZ-OE2 3.45Å
307V97.8Very high95.1Very high1 Ų148.2 Ų48.21%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-127.8126.7172.5-173.70000108.6V283 A296 A299 K300 A304 I333 E334V283-V307 HydrophobicContact CB-CG1 4.28Å; V283-V307 HydrophobicContact CB-CG2 4.28Å; V283-V307 HydrophobicContact CG1-CG1 4.49Å; V283-V307 CarbonylContact O-C 3.55Å; V283-V307 VanDerWaalsContact O-CA 3.31Å; V283-V307 WeakPolarHBondContact O-CA 3.36Å; A296-V307 HydrophobicContact CB-CG1 3.92Å; A299-V307 HydrophobicContact CB-CG1 4.45Å; A299-V307 HydrophobicContact CB-CG2 4.29Å; K300-V307 HydrophobicContact CB-CG2 4.13Å; K300-V307 HydrophobicContact CD-CG2 4.07Å; A304-V307 HydrophobicContact CB-CG2 3.53Å; V307-I333 HydrophobicContact CB-CD1 3.62Å; V307-I333 HydrophobicContact CG1-CD1 3.79Å; V307-I333 HydrophobicContact CG1-CG2 4.42Å; V307-I333 HydrophobicContact CG2-CD1 4.23Å; V307-E334 PolarHBondContact O-N 2.87Å
308S97.4Very high94.9Very high2 Ų249.3 Ų49.31%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-126.8132.1-177-58.20000110.7V283 V284 V285 E334V283-S308 PolarHBondContact O-N 3.41Å; V284-S308 CarbonylContact C-O 3.59Å; V284-S308 WeakPolarHBondContact CA-O 3.45Å; V285-S308 PolarHBondContact N-O 3.48Å; S308-E334 CarbonylContact C-O 3.54Å; S308-E334 VanDerWaalsContact CA-O 3.29Å; S308-E334 WeakPolarHBondContact CA-O 3.5Å
309I98Very high94.6Very high0 Ų052.5 Ų52.50%026%0.263CS..EExtended strand (participates in β ladder)trans-93126.1170.3-72.2173.8000109.4V285 G287 M293 A296 I333 E334 Y335 H336V285-I309 HydrophobicContact CB-CG1 4.23Å; V285-I309 CarbonylContact O-C 3.42Å; V285-I309 WeakPolarHBondContact O-CA 3.44Å; G287-I309 WeakPolarHBondContact O-CG2 3.45Å; M293-I309 HydrophobicContact CE-CD1 4.06Å; M293-I309 HydrophobicContact SD-CD1 3.65Å; A296-I309 HydrophobicContact CB-CD1 3.83Å; A296-I309 HydrophobicContact CB-CG1 3.91Å; I309-I333 HydrophobicContact CD1-CG2 3.98Å; I309-I333 HydrophobicContact CG1-CG2 3.99Å; I309-E334 PolarHBondContact N-O 3.34Å; I309-Y335 HydrophobicContact CB-CD1 3.86Å; I309-Y335 HydrophobicContact CB-CE1 3.87Å; I309-Y335 HydrophobicContact CD1-CE1 3.73Å; I309-Y335 HydrophobicContact CG1-CE1 4.34Å; I309-Y335 HydrophobicContact CG2-CD1 4.03Å; I309-Y335 HydrophobicContact CG2-CE1 4.01Å; I309-H336 PolarHBondContact O-N 3.11Å
310V97.7Very high94.4Very high1 Ų152.7 Ų52.71%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-103.2115.9171.2177.60000108.3V284 V285 G287 H336 S339 P341 I365V284-V310 HydrophobicContact CG1-CB 4.45Å; V284-V310 HydrophobicContact CG1-CG2 3.67Å; V285-V310 PolarHBondContact O-N 2.94Å; G287-V310 PolarHBondContact N-O 3.17Å; V310-H336 HydrophobicContact CG2-CB 4.15Å; V310-S339 WeakPolarHBondContact CG1-O 3.5Å; V310-P341 HydrophobicContact CG1-CG 4.15Å; V310-I365 HydrophobicContact CG2-CD1 3.67Å
311Y97.2Very high94.2Very high16 Ų1651.8 Ų51.86%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-129.6128.2-178.9-173.7-131.8000111.6R313 E317 L318 P319 H336 W337 L338 S339Y311-R313 HydrophobicContact CD1-CB 4.11Å; Y311-R313 WeakPolarHBondContact CD1-O 3.33Å; Y311-R313 HydrophobicContact CE1-CB 3.56Å; Y311-R313 HydrophobicContact CE1-CG 4.4Å; Y311-R313 PolarHBondContact O-N 3.4Å; Y311-R313 VanDerWaalsContact O-N 3.09Å; Y311-E317 PolarHBondContact OH-O 3.45Å; Y311-L318 HydrophobicContact CD1-CD1 4.14Å; Y311-L318 HydrophobicContact CE1-CD1 4.11Å; Y311-P319 WeakPolarHBondContact OH-CD 3.21Å; Y311-H336 PolarHBondContact N-O 3.47Å; Y311-W337 HydrophobicContact CD1-CE3 4.14Å; Y311-W337 AromaticContact CD1-CZ3 3.98Å; Y311-W337 HydrophobicContact CD1-CZ3 3.98Å; Y311-W337 CarbonylContact O-C 3.47Å; Y311-L338 PolarHBondContact O-N 3.02Å; Y311-S339 CarbonylContact C-O 3.33Å; Y311-S339 PolarHBondContact O-N 3.04Å; Y311-S339 VanDerWaalsContact O-N 3.09Å
312R94.5Very high93.9Very high160 Ų16056.4 Ų56.460%0.60428%0.282SS*.SBendtrans-70.1-2.9-175.372-178.5-179.1163.3-2115.2S339 N340R312-S339 VanDerWaalsContact CA-O 3.32Å; R312-S339 WeakPolarHBondContact CA-O 3.48Å; R312-S339 PolarHBondContact N-O 2.59Å; R312-N340 HydrophobicContact CB-CB 4.45Å
313R94.5Very high93.8Very high104 Ų10456.7 Ų56.739%0.39228%0.283SS..SBendtrans-127.6175.6-178.5-56.9-173-178.8160.5-5.3111Y311 E317 L338Y311-R313 HydrophobicContact CD1-CB 4.11Å; Y311-R313 WeakPolarHBondContact CD1-O 3.33Å; Y311-R313 HydrophobicContact CE1-CB 3.56Å; Y311-R313 HydrophobicContact CE1-CG 4.4Å; Y311-R313 PolarHBondContact O-N 3.4Å; Y311-R313 VanDerWaalsContact O-N 3.09Å; R313-E317 HydrophobicContact CB-CB 3.93Å; R313-L338 PolarHBondContact O-N 2.87Å
314S94.5Very high93.9Very high27 Ų2754.5 Ų54.519%0.18926%0.258CS..  trans-74.7167.3177.266.90000112.6E316 E317S314-E316 VanDerWaalsContact C-N 3.26Å; S314-E316 PolarHBondContact O-N 2.93Å; S314-E317 PolarHBondContact N-OE2 2.93Å; S314-E317 VanDerWaalsContact N-OE2 3.17Å; S314-E317 PolarHBondContact O-N 2.97Å; S314-E317 WeakPolarHBondContact OG-CG 3.2Å; S314-E317 PolarHBondContact OG-OE2 3.48Å
315L93.7Very high93.9Very high75 Ų7556.2 Ų56.239%0.39326%0.264SS..G310 helixtrans-59.7-35.7172.9173.659.8000112.3E317 L318 Y325 W337L315-E317 PolarHBondContact O-N 3.36Å; L315-L318 HydrophobicContact CD1-CD2 4.06Å; L315-L318 WeakPolarHBondContact O-CB 3.38Å; L315-L318 PolarHBondContact O-N 3.16Å; L315-L318 VanDerWaalsContact O-N 3.15Å; L315-Y325 HydrophobicContact CD1-CD1 4.29Å; L315-Y325 HydrophobicContact CD1-CD2 4.12Å; L315-Y325 HydrophobicContact CD1-CE1 3.78Å; L315-Y325 HydrophobicContact CD1-CE2 3.59Å; L315-Y325 HydrophobicContact CD1-CG 4.44Å; L315-Y325 HydrophobicContact CD2-CE1 4.4Å; L315-Y325 WeakPolarHBondContact CD2-OH 3.3Å; L315-W337 HydrophobicContact CB-CD2 4.46Å; L315-W337 HydrophobicContact CB-CE3 4.46Å; L315-W337 HydrophobicContact CB-CH2 4.05Å; L315-W337 HydrophobicContact CB-CZ2 4.03Å; L315-W337 HydrophobicContact CB-CZ3 4.27Å; L315-W337 HydrophobicContact CD1-CH2 3.6Å; L315-W337 HydrophobicContact CD1-CZ2 3.85Å; L315-W337 HydrophobicContact CD1-CZ3 4.39Å; L315-W337 HydrophobicContact CG-CH2 4.4Å; L315-W337 HydrophobicContact CG-CZ2 4.38Å
316E90.8Very high93.9Very high192 Ų19255 Ų5590%0.89725%0.254SS*.G310 helixtrans-64.4-24.4179-64.5169.2-176.500112.4S314S314-E316 VanDerWaalsContact C-N 3.26Å; S314-E316 PolarHBondContact O-N 2.93Å
317E92.8Very high93.8Very high97 Ų9751.6 Ų51.645%0.45324%0.239SC..G310 helixtrans-100.114.7179.6-62.1169.393.400112.8Y311 R313 S314 L315 P319Y311-E317 PolarHBondContact OH-O 3.45Å; R313-E317 HydrophobicContact CB-CB 3.93Å; S314-E317 PolarHBondContact N-OE2 2.93Å; S314-E317 VanDerWaalsContact N-OE2 3.17Å; S314-E317 PolarHBondContact O-N 2.97Å; S314-E317 WeakPolarHBondContact OG-CG 3.2Å; S314-E317 PolarHBondContact OG-OE2 3.48Å; L315-E317 PolarHBondContact O-N 3.36Å; E317-P319 VanDerWaalsContact O-CD 3.23Å; E317-P319 WeakPolarHBondContact O-CD 3.48Å
318L92.2Very high93.7Very high22 Ų2251.5 Ų51.512%0.11524%0.239CC..  trans-71.1119-179.3-171.473.7000110.7G288 M293 Y311 L315 A320 Y325 W337G288-L318 WeakPolarHBondContact O-CD1 3.49Å; M293-L318 HydrophobicContact CE-CD1 3.85Å; M293-L318 HydrophobicContact CE-CD2 3.89Å; M293-L318 HydrophobicContact CE-CG 4.29Å; Y311-L318 HydrophobicContact CD1-CD1 4.14Å; Y311-L318 HydrophobicContact CE1-CD1 4.11Å; L315-L318 HydrophobicContact CD1-CD2 4.06Å; L315-L318 WeakPolarHBondContact O-CB 3.38Å; L315-L318 PolarHBondContact O-N 3.16Å; L315-L318 VanDerWaalsContact O-N 3.15Å; L318-A320 HydrophobicContact CD2-CB 4.2Å; L318-A320 HydrophobicContact CG-CB 4.07Å; L318-Y325 HydrophobicContact CD2-CD2 3.6Å; L318-Y325 HydrophobicContact CD2-CE2 4.39Å; L318-Y325 HydrophobicContact CD2-CG 3.8Å; L318-W337 HydrophobicContact CD1-CH2 4.4Å; L318-W337 HydrophobicContact CD1-CZ3 4.13Å
319P89.9Confident93.6Very high68 Ų6854.6 Ų54.644%0.44226%0.258SS..  trans-77.5-21.6-179.625.6-31.3000113.5K97 G288 Y311 E317K97-P319 PolarHBondContact NZ-O 2.89Å; G288-P319 WeakPolarHBondContact O-CD 3.45Å; G288-P319 WeakPolarHBondContact O-CG 3.46Å; Y311-P319 WeakPolarHBondContact OH-CD 3.21Å; E317-P319 VanDerWaalsContact O-CD 3.23Å; E317-P319 WeakPolarHBondContact O-CD 3.48Å
320A91.3Very high93.5Very high5 Ų559.5 Ų59.54%0.04128%0.281CS..SBendtrans-54.5152.817600000112.3G288 N290 M293 L318G288-A320 WeakPolarHBondContact O-CB 3.44Å; G288-A320 PolarHBondContact O-N 3Å; G288-A320 VanDerWaalsContact O-N 3.1Å; N290-A320 WeakPolarHBondContact OD1-CA 3.4Å; M293-A320 HydrophobicContact CE-CB 3.74Å; M293-A320 HydrophobicContact CG-CB 3.67Å; L318-A320 HydrophobicContact CD2-CB 4.2Å; L318-A320 HydrophobicContact CG-CB 4.07Å
321R90.3Very high93.4Very high18 Ų1859.6 Ų59.67%0.06828%0.281CS..  trans-65.6140.8174.7-172-173.1177.2-142.6-5.9109.2R91 C93 P94 E96 N290 E323 E324 Y325R91-R321 PolarHBondContact O-NH1 2.93Å; R91-R321 VanDerWaalsContact O-NH1 3.16Å; C93-R321 PolarHBondContact O-NE 3.33Å; C93-R321 VanDerWaalsContact O-NE 3.13Å; P94-R321 HydrophobicContact CB-CG 4.4Å; E96-R321 WeakPolarHBondContact OE1-CG 3.48Å; E96-R321 IonicContact OE2-NE 3.85Å; N290-R321 PolarHBondContact OD1-N 2.85Å; R321-E323 VanDerWaalsContact C-N 3.31Å; R321-E323 IonicContact CZ-OE2 2.79Å; R321-E323 IonicContact NE-OE2 2.94Å; R321-E323 IonicContact NH1-OE2 2.94Å; R321-E323 PolarHBondContact NH1-OE2 3.28Å; R321-E323 IonicContact NH2-OE2 3.32Å; R321-E323 PolarHBondContact NH2-OE2 2.88Å; R321-E323 PolarHBondContact O-N 2.7Å; R321-E324 HydrophobicContact CB-CG 3.92Å; R321-E324 IonicContact NH1-OE1 3.49Å; R321-E324 PolarHBondContact O-N 3.38Å; R321-E324 VanDerWaalsContact O-N 3.13Å; R321-Y325 PolarHBondContact O-N 2.74Å
322E90Very high93.2Very high113 Ų11360.9 Ų60.953%0.52830%0.299SS..Hα-helixtrans-60.7-40.9-171.6-165.9-173.7161.200112.3E96 E324 Y325 H326E96-E322 PolarHBondContact OE1-N 3.42Å; E322-E324 VanDerWaalsContact C-N 3.33Å; E322-E324 PolarHBondContact O-N 3.01Å; E322-Y325 PolarHBondContact O-N 3.49Å; E322-H326 VanDerWaalsContact CG-NE2 3.35Å; E322-H326 WeakPolarHBondContact CG-NE2 3.42Å; E322-H326 PolarHBondContact O-CD2 2.81Å; E322-H326 PolarHBondContact O-N 3.21Å; E322-H326 IonicContact OE1-CD2 3.64Å; E322-H326 IonicContact OE1-CE1 3.97Å; E322-H326 IonicContact OE1-NE2 4Å; E322-H326 PolarHBondContact OE1-NE2 3.28Å
323E90.6Very high93.4Very high41 Ų4153.6 Ų53.619%0.19227%0.272CS..Hα-helixtrans-59.3-40.9176.7-175.6167.5-144.400112.4R321 Y325 H326 H327R321-E323 VanDerWaalsContact C-N 3.31Å; R321-E323 IonicContact CZ-OE2 2.79Å; R321-E323 IonicContact NE-OE2 2.94Å; R321-E323 IonicContact NH1-OE2 2.94Å; R321-E323 PolarHBondContact NH1-OE2 3.28Å; R321-E323 IonicContact NH2-OE2 3.32Å; R321-E323 PolarHBondContact NH2-OE2 2.88Å; R321-E323 PolarHBondContact O-N 2.7Å; E323-Y325 PolarHBondContact O-N 3.22Å; E323-H326 PolarHBondContact O-N 3.03Å; E323-H327 VanDerWaalsContact CG-CE1 3.43Å; E323-H327 WeakPolarHBondContact CG-CE1 3.48Å; E323-H327 VanDerWaalsContact O-CG 3.25Å; E323-H327 PolarHBondContact O-N 3.45Å; E323-H327 IonicContact OE1-CE1 2.66Å
324E93.2Very high93.5Very high7 Ų752.7 Ų52.73%0.03327%0.272CS..Hα-helixtrans-71.5-34.5-178.6-49.4-62.1171.400111.9R188 M293 R297 R321 E322 S328R188-E324 WeakPolarHBondContact CD-OE2 3.26Å; R188-E324 VanDerWaalsContact CZ-CD 3.45Å; R188-E324 IonicContact CZ-OE1 2.75Å; R188-E324 IonicContact CZ-OE2 3.54Å; R188-E324 IonicContact NE-OE1 3.79Å; R188-E324 PolarHBondContact NE-OE1 2.82Å; R188-E324 IonicContact NE-OE2 3.75Å; R188-E324 PolarHBondContact NE-OE2 2.98Å; R188-E324 IonicContact NH2-OE1 3.56Å; R188-E324 PolarHBondContact NH2-OE1 3.37Å; M293-E324 HydrophobicContact CB-CB 4.3Å; M293-E324 HydrophobicContact CG-CB 4.36Å; R297-E324 IonicContact CZ-OE2 2.84Å; R297-E324 IonicContact NH1-OE2 3.61Å; R297-E324 PolarHBondContact NH1-OE2 2.76Å; R321-E324 HydrophobicContact CB-CG 3.92Å; R321-E324 IonicContact NH1-OE1 3.49Å; R321-E324 PolarHBondContact O-N 3.38Å; R321-E324 VanDerWaalsContact O-N 3.13Å; E322-E324 VanDerWaalsContact C-N 3.33Å; E322-E324 PolarHBondContact O-N 3.01Å; E324-S328 WeakPolarHBondContact O-CB 3.31Å; E324-S328 PolarHBondContact O-N 3.28Å; E324-S328 PolarHBondContact O-OG 2.94Å
325Y94.6Very high93.6Very high40 Ų4053.1 Ų53.116%0.15727%0.27CS..Hα-helixtrans-63.8-51.8171.3167.9-103.2000110.7L315 L318 R321 E322 E323 H327 S328 V329 Y335 W337L315-Y325 HydrophobicContact CD1-CD1 4.29Å; L315-Y325 HydrophobicContact CD1-CD2 4.12Å; L315-Y325 HydrophobicContact CD1-CE1 3.78Å; L315-Y325 HydrophobicContact CD1-CE2 3.59Å; L315-Y325 HydrophobicContact CD1-CG 4.44Å; L315-Y325 HydrophobicContact CD2-CE1 4.4Å; L315-Y325 WeakPolarHBondContact CD2-OH 3.3Å; L318-Y325 HydrophobicContact CD2-CD2 3.6Å; L318-Y325 HydrophobicContact CD2-CE2 4.39Å; L318-Y325 HydrophobicContact CD2-CG 3.8Å; R321-Y325 PolarHBondContact O-N 2.74Å; E322-Y325 PolarHBondContact O-N 3.49Å; E323-Y325 PolarHBondContact O-N 3.22Å; Y325-H327 VanDerWaalsContact C-N 3.33Å; Y325-H327 PolarHBondContact O-N 3.06Å; Y325-S328 PolarHBondContact O-N 3.33Å; Y325-S328 VanDerWaalsContact O-N 3.1Å; Y325-S328 PolarHBondContact O-OG 2.77Å; Y325-V329 HydrophobicContact CD2-CG2 4.2Å; Y325-V329 HydrophobicContact CE1-CG2 4.18Å; Y325-V329 HydrophobicContact CE2-CG2 3.66Å; Y325-V329 WeakPolarHBondContact O-CG2 3.06Å; Y325-V329 PolarHBondContact O-N 3.23Å; Y325-Y335 HydrophobicContact CD2-CE1 4.17Å; Y325-Y335 HydrophobicContact CD2-CE2 4.29Å; Y325-Y335 AromaticContact CD2-CZ 3.72Å; Y325-Y335 WeakPolarHBondContact CD2-OH 3.45Å; Y325-Y335 HydrophobicContact CE2-CD2 4.42Å; Y325-Y335 HydrophobicContact CE2-CE1 4.08Å; Y325-Y335 AromaticContact CE2-CE2 3.89Å; Y325-Y335 HydrophobicContact CE2-CE2 3.89Å; Y325-Y335 AromaticContact CE2-CZ 3.69Å; Y325-W337 AromaticContact CE2-CH2 3.96Å; Y325-W337 HydrophobicContact CE2-CH2 3.96Å; Y325-W337 AromaticContact CE2-CZ2 3.96Å; Y325-W337 HydrophobicContact CE2-CZ2 3.96Å
326H93.6Very high93.7Very high85 Ų8551.5 Ų51.539%0.39426%0.26SS..Hα-helixtrans-57.6-46.4179.2-71.1-47.9000111.6E322 E323 S328 V329 E330E322-H326 VanDerWaalsContact CG-NE2 3.35Å; E322-H326 WeakPolarHBondContact CG-NE2 3.42Å; E322-H326 PolarHBondContact O-CD2 2.81Å; E322-H326 PolarHBondContact O-N 3.21Å; E322-H326 IonicContact OE1-CD2 3.64Å; E322-H326 IonicContact OE1-CE1 3.97Å; E322-H326 IonicContact OE1-NE2 4Å; E322-H326 PolarHBondContact OE1-NE2 3.28Å; E323-H326 PolarHBondContact O-N 3.03Å; H326-S328 VanDerWaalsContact C-N 3.31Å; H326-S328 PolarHBondContact O-N 2.91Å; H326-V329 PolarHBondContact O-N 3.37Å; H326-E330 WeakPolarHBondContact O-CG 3.26Å; H326-E330 PolarHBondContact O-N 3.33Å
327H94.7Very high94Very high9 Ų945.2 Ų45.24%0.04223%0.229CC..Hα-helixtrans-61.8-39.1177.1-66.2167.2000112.6E13 R297 E323 Y325 V329 E330 E331E13-H327 IonicContact OE1-CD2 2.65Å; E13-H327 IonicContact OE1-CE1 3.86Å; E13-H327 IonicContact OE1-NE2 2.87Å; E13-H327 PolarHBondContact OE1-NE2 3.22Å; E13-H327 IonicContact OE2-CD2 3.71Å; E13-H327 PolarHBondContact OE2-CD2 3.11Å; E13-H327 IonicContact OE2-NE2 3.55Å; E13-H327 PolarHBondContact OE2-NE2 2.93Å; R297-H327 VanDerWaalsContact NH2-CB 3.29Å; E323-H327 VanDerWaalsContact CG-CE1 3.43Å; E323-H327 WeakPolarHBondContact CG-CE1 3.48Å; E323-H327 VanDerWaalsContact O-CG 3.25Å; E323-H327 PolarHBondContact O-N 3.45Å; E323-H327 IonicContact OE1-CE1 2.66Å; Y325-H327 VanDerWaalsContact C-N 3.33Å; Y325-H327 PolarHBondContact O-N 3.06Å; H327-V329 PolarHBondContact O-N 3.01Å; H327-E330 IonicContact CD2-OE2 3.7Å; H327-E330 PolarHBondContact O-N 3.03Å; H327-E331 VanDerWaalsContact O-CB 3.31Å; H327-E331 WeakPolarHBondContact O-CB 3.26Å; H327-E331 WeakPolarHBondContact O-CG 3.5Å; H327-E331 PolarHBondContact O-N 3.19Å
328S95.9Very high94.1Very high0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-64.5-38.3177.7760000112.6E324 Y325 H326 E331 G332 I333 Y335E324-S328 WeakPolarHBondContact O-CB 3.31Å; E324-S328 PolarHBondContact O-N 3.28Å; E324-S328 PolarHBondContact O-OG 2.94Å; Y325-S328 PolarHBondContact O-N 3.33Å; Y325-S328 VanDerWaalsContact O-N 3.1Å; Y325-S328 PolarHBondContact O-OG 2.77Å; H326-S328 VanDerWaalsContact C-N 3.31Å; H326-S328 PolarHBondContact O-N 2.91Å; S328-E331 PolarHBondContact O-N 2.87Å; S328-G332 PolarHBondContact O-N 3.49Å; S328-I333 VanDerWaalsContact O-CB 3.28Å; S328-I333 WeakPolarHBondContact O-CB 3.09Å; S328-I333 WeakPolarHBondContact O-CG1 3.41Å; S328-I333 PolarHBondContact O-N 3.26Å; S328-Y335 PolarHBondContact OG-OH 3.1Å
329V95.9Very high94.3Very high67 Ų6744.5 Ų44.541%0.40623%0.227SC..Hα-helixtrans-66.9-45.5177.6173.30000109.9Y325 H326 H327 E331 G332 Y335Y325-V329 HydrophobicContact CD2-CG2 4.2Å; Y325-V329 HydrophobicContact CE1-CG2 4.18Å; Y325-V329 HydrophobicContact CE2-CG2 3.66Å; Y325-V329 WeakPolarHBondContact O-CG2 3.06Å; Y325-V329 PolarHBondContact O-N 3.23Å; H326-V329 PolarHBondContact O-N 3.37Å; H327-V329 PolarHBondContact O-N 3.01Å; V329-E331 VanDerWaalsContact C-N 3.27Å; V329-E331 PolarHBondContact O-N 3.41Å; V329-G332 PolarHBondContact O-N 3.44Å; V329-Y335 HydrophobicContact CG2-CD2 4.39Å; V329-Y335 HydrophobicContact CG2-CE2 3.76Å
330E95.2Very high94.6Very high103 Ų10344.2 Ų44.248%0.48122%0.222SC..Hα-helixtrans-63.1-32.5176.7-70.5174.9165.500112.5P16 R19 H326 H327 G332P16-E330 HydrophobicContact CB-CB 4.23Å; P16-E330 WeakPolarHBondContact CB-O 3.41Å; P16-E330 HydrophobicContact CG-CB 4.05Å; R19-E330 IonicContact CZ-OE2 3.35Å; R19-E330 IonicContact NH1-OE2 2.8Å; R19-E330 IonicContact NH2-OE2 3.88Å; R19-E330 PolarHBondContact NH2-OE2 3.3Å; H326-E330 WeakPolarHBondContact O-CG 3.26Å; H326-E330 PolarHBondContact O-N 3.33Å; H327-E330 IonicContact CD2-OE2 3.7Å; H327-E330 PolarHBondContact O-N 3.03Å; E330-G332 PolarHBondContact O-N 2.97Å
331E95.4Very high94.8Very high2 Ų244 Ų441%0.00922%0.22CC..THydrogen-bonded Turntrans-77.3-3.6175.9-71.3168.8-17200113.6R19 N20 R297 R301 H327 S328 V329R19-E331 WeakPolarHBondContact CD-OE1 3.23Å; R19-E331 HydrophobicContact CG-CG 4.07Å; R19-E331 IonicContact NE-OE1 2.71Å; R19-E331 PolarHBondContact NE-OE1 2.79Å; N20-E331 HydrophobicContact CB-CB 4.12Å; N20-E331 HydrophobicContact CB-CG 4.12Å; R297-E331 WeakPolarHBondContact CG-OE2 3.41Å; R297-E331 IonicContact CZ-OE1 3.53Å; R297-E331 IonicContact CZ-OE2 3.51Å; R297-E331 IonicContact NE-OE1 2.94Å; R297-E331 PolarHBondContact NE-OE1 3.06Å; R297-E331 IonicContact NE-OE2 3.22Å; R297-E331 PolarHBondContact NE-OE2 3.31Å; R297-E331 IonicContact NH2-OE1 3.29Å; R297-E331 PolarHBondContact NH2-OE1 3.11Å; R297-E331 IonicContact NH2-OE2 3.4Å; R301-E331 IonicContact CZ-OE1 2.74Å; R301-E331 IonicContact CZ-OE2 3.09Å; R301-E331 IonicContact NH1-OE1 2.97Å; R301-E331 PolarHBondContact NH1-OE1 2.99Å; R301-E331 IonicContact NH1-OE2 3.35Å; R301-E331 PolarHBondContact NH1-OE2 3.03Å; R301-E331 IonicContact NH2-OE1 3.28Å; R301-E331 PolarHBondContact NH2-OE1 3.25Å; R301-E331 IonicContact NH2-OE2 3.92Å; H327-E331 VanDerWaalsContact O-CB 3.31Å; H327-E331 WeakPolarHBondContact O-CB 3.26Å; H327-E331 WeakPolarHBondContact O-CG 3.5Å; H327-E331 PolarHBondContact O-N 3.19Å; S328-E331 PolarHBondContact O-N 2.87Å; V329-E331 VanDerWaalsContact C-N 3.27Å; V329-E331 PolarHBondContact O-N 3.41Å
332G94.7Very high95.1Very high43 Ų4345.8 Ų45.844%0.44323%0.231SC..THydrogen-bonded Turntrans88.325.2175.100000115S328 V329 E330S328-G332 PolarHBondContact O-N 3.49Å; V329-G332 PolarHBondContact O-N 3.44Å; E330-G332 PolarHBondContact O-N 2.97Å
333I96.8Very high95.5Very high8 Ų842.6 Ų42.64%0.04122%0.216CC..  trans-77127173-52.5-61.3000109.7A296 R297 K300 V307 I309 S328 Y335A296-I333 HydrophobicContact CB-CD1 4.37Å; A296-I333 HydrophobicContact CB-CG2 4.19Å; R297-I333 HydrophobicContact CG-CG1 4.49Å; K300-I333 HydrophobicContact CB-CD1 3.87Å; K300-I333 HydrophobicContact CD-CD1 4.49Å; K300-I333 HydrophobicContact CG-CD1 4.27Å; V307-I333 HydrophobicContact CB-CD1 3.62Å; V307-I333 HydrophobicContact CG1-CD1 3.79Å; V307-I333 HydrophobicContact CG1-CG2 4.42Å; V307-I333 HydrophobicContact CG2-CD1 4.23Å; I309-I333 HydrophobicContact CD1-CG2 3.98Å; I309-I333 HydrophobicContact CG1-CG2 3.99Å; S328-I333 VanDerWaalsContact O-CB 3.28Å; S328-I333 WeakPolarHBondContact O-CB 3.09Å; S328-I333 WeakPolarHBondContact O-CG1 3.41Å; S328-I333 PolarHBondContact O-N 3.26Å; I333-Y335 HydrophobicContact CB-CE2 4.46Å; I333-Y335 HydrophobicContact CG2-CE2 4.33Å; I333-Y335 WeakPolarHBondContact O-CD2 3.43Å
334E96.8Very high95.8Very high84 Ų8440.8 Ų40.839%0.39321%0.207SC..EExtended strand (participates in β ladder)trans-86.9155.4177.8-68.1-176.9-161.400112K306 V307 S308 I309K306-E334 VanDerWaalsContact CE-OE1 3.23Å; K306-E334 WeakPolarHBondContact CE-OE1 3.47Å; K306-E334 WeakPolarHBondContact CE-OE2 3.32Å; K306-E334 IonicContact NZ-OE1 2.67Å; K306-E334 PolarHBondContact NZ-OE1 3.18Å; K306-E334 IonicContact NZ-OE2 2.84Å; K306-E334 PolarHBondContact NZ-OE2 3.45Å; V307-E334 PolarHBondContact O-N 2.87Å; S308-E334 CarbonylContact C-O 3.54Å; S308-E334 VanDerWaalsContact CA-O 3.29Å; S308-E334 WeakPolarHBondContact CA-O 3.5Å; I309-E334 PolarHBondContact N-O 3.34Å
335Y97Very high96Very high37 Ų3742.7 Ų42.715%0.14522%0.217CC..EExtended strand (participates in β ladder)trans-129128.2-176.6-74.8-92.5000112.5M293 I309 Y325 S328 V329 I333 W337M293-Y335 HydrophobicContact CE-CE1 4.08Å; M293-Y335 WeakPolarHBondContact CE-OH 3.14Å; M293-Y335 PolarHBondContact SD-OH 3.09Å; I309-Y335 HydrophobicContact CB-CD1 3.86Å; I309-Y335 HydrophobicContact CB-CE1 3.87Å; I309-Y335 HydrophobicContact CD1-CE1 3.73Å; I309-Y335 HydrophobicContact CG1-CE1 4.34Å; I309-Y335 HydrophobicContact CG2-CD1 4.03Å; I309-Y335 HydrophobicContact CG2-CE1 4.01Å; Y325-Y335 HydrophobicContact CD2-CE1 4.17Å; Y325-Y335 HydrophobicContact CD2-CE2 4.29Å; Y325-Y335 AromaticContact CD2-CZ 3.72Å; Y325-Y335 WeakPolarHBondContact CD2-OH 3.45Å; Y325-Y335 HydrophobicContact CE2-CD2 4.42Å; Y325-Y335 HydrophobicContact CE2-CE1 4.08Å; Y325-Y335 AromaticContact CE2-CE2 3.89Å; Y325-Y335 HydrophobicContact CE2-CE2 3.89Å; Y325-Y335 AromaticContact CE2-CZ 3.69Å; S328-Y335 PolarHBondContact OG-OH 3.1Å; V329-Y335 HydrophobicContact CG2-CD2 4.39Å; V329-Y335 HydrophobicContact CG2-CE2 3.76Å; I333-Y335 HydrophobicContact CB-CE2 4.46Å; I333-Y335 HydrophobicContact CG2-CE2 4.33Å; I333-Y335 WeakPolarHBondContact O-CD2 3.43Å; Y335-W337 AromaticContact CD1-CH2 3.28Å; Y335-W337 HydrophobicContact CD1-CH2 3.28Å; Y335-W337 AromaticContact CD1-CZ2 3.36Å; Y335-W337 HydrophobicContact CD1-CZ2 3.36Å; Y335-W337 AromaticContact CD1-CZ3 3.93Å; Y335-W337 HydrophobicContact CD1-CZ3 3.93Å; Y335-W337 HydrophobicContact CD2-CZ2 4.3Å; Y335-W337 AromaticContact CE1-CH2 3.67Å; Y335-W337 HydrophobicContact CE1-CH2 3.67Å; Y335-W337 HydrophobicContact CE1-CZ2 4.06Å; Y335-W337 HydrophobicContact CE1-CZ3 4.43Å; Y335-W337 AromaticContact CG-CE2 4Å; Y335-W337 AromaticContact CG-CH2 3.94Å; Y335-W337 HydrophobicContact CG-CH2 3.94Å; Y335-W337 AromaticContact CG-CZ2 3.49Å; Y335-W337 HydrophobicContact CG-CZ2 3.49Å; Y335-W337 VanDerWaalsContact CG-CZ2 3.49Å
336H96.4Very high96Very high41 Ų4144.2 Ų44.219%0.1923%0.228CC..EExtended strand (participates in β ladder)trans-108.292.4168.4-62.1-85.7000109.1I309 V310 Y311 S339 F363I309-H336 PolarHBondContact O-N 3.11Å; V310-H336 HydrophobicContact CG2-CB 4.15Å; Y311-H336 PolarHBondContact N-O 3.47Å; H336-S339 WeakPolarHBondContact O-CB 3.42Å; H336-F363 AromaticContact ND1-CE2 3.88Å
337W96Very high95.9Very high60 Ų6043.4 Ų43.423%0.22723%0.227CC..EExtended strand (participates in β ladder)trans-73.8157.2178.3-54.7111.5000112.2Y311 L315 L318 Y325 Y335 S339 Q359Y311-W337 HydrophobicContact CD1-CE3 4.14Å; Y311-W337 AromaticContact CD1-CZ3 3.98Å; Y311-W337 HydrophobicContact CD1-CZ3 3.98Å; Y311-W337 CarbonylContact O-C 3.47Å; L315-W337 HydrophobicContact CB-CD2 4.46Å; L315-W337 HydrophobicContact CB-CE3 4.46Å; L315-W337 HydrophobicContact CB-CH2 4.05Å; L315-W337 HydrophobicContact CB-CZ2 4.03Å; L315-W337 HydrophobicContact CB-CZ3 4.27Å; L315-W337 HydrophobicContact CD1-CH2 3.6Å; L315-W337 HydrophobicContact CD1-CZ2 3.85Å; L315-W337 HydrophobicContact CD1-CZ3 4.39Å; L315-W337 HydrophobicContact CG-CH2 4.4Å; L315-W337 HydrophobicContact CG-CZ2 4.38Å; L318-W337 HydrophobicContact CD1-CH2 4.4Å; L318-W337 HydrophobicContact CD1-CZ3 4.13Å; Y325-W337 AromaticContact CE2-CH2 3.96Å; Y325-W337 HydrophobicContact CE2-CH2 3.96Å; Y325-W337 AromaticContact CE2-CZ2 3.96Å; Y325-W337 HydrophobicContact CE2-CZ2 3.96Å; Y335-W337 AromaticContact CD1-CH2 3.28Å; Y335-W337 HydrophobicContact CD1-CH2 3.28Å; Y335-W337 AromaticContact CD1-CZ2 3.36Å; Y335-W337 HydrophobicContact CD1-CZ2 3.36Å; Y335-W337 AromaticContact CD1-CZ3 3.93Å; Y335-W337 HydrophobicContact CD1-CZ3 3.93Å; Y335-W337 HydrophobicContact CD2-CZ2 4.3Å; Y335-W337 AromaticContact CE1-CH2 3.67Å; Y335-W337 HydrophobicContact CE1-CH2 3.67Å; Y335-W337 HydrophobicContact CE1-CZ2 4.06Å; Y335-W337 HydrophobicContact CE1-CZ3 4.43Å; Y335-W337 AromaticContact CG-CE2 4Å; Y335-W337 AromaticContact CG-CH2 3.94Å; Y335-W337 HydrophobicContact CG-CH2 3.94Å; Y335-W337 AromaticContact CG-CZ2 3.49Å; Y335-W337 HydrophobicContact CG-CZ2 3.49Å; Y335-W337 VanDerWaalsContact CG-CZ2 3.49Å; W337-S339 PolarHBondContact O-N 2.99Å; W337-S339 PolarHBondContact O-OG 3.4Å; W337-Q359 PolarHBondContact O-NE2 2.88Å
338L96.1Very high95.7Very high102 Ų10245.8 Ų45.853%0.53425%0.254SS..THydrogen-bonded Turntrans51.128178.5-58.5170.7000113Y311 R313 Q359Y311-L338 PolarHBondContact O-N 3.02Å; R313-L338 PolarHBondContact O-N 2.87Å; L338-Q359 HydrophobicContact CB-CG 4.39Å
339S95.9Very high95.5Very high1 Ų151.5 Ų51.51%0.00728%0.284CS..  trans-118.7138.5-171.5-62.20000109.9V310 Y311 R312 H336 W337 V358V310-S339 WeakPolarHBondContact CG1-O 3.5Å; Y311-S339 CarbonylContact C-O 3.33Å; Y311-S339 PolarHBondContact O-N 3.04Å; Y311-S339 VanDerWaalsContact O-N 3.09Å; R312-S339 VanDerWaalsContact CA-O 3.32Å; R312-S339 WeakPolarHBondContact CA-O 3.48Å; R312-S339 PolarHBondContact N-O 2.59Å; H336-S339 WeakPolarHBondContact O-CB 3.42Å; W337-S339 PolarHBondContact O-N 2.99Å; W337-S339 PolarHBondContact O-OG 3.4Å; S339-V358 VanDerWaalsContact CA-O 3.31Å; S339-V358 WeakPolarHBondContact CA-O 3.39Å
340N95.5Very high95.3Very high62 Ų6249.4 Ų49.433%0.33228%0.276SS..EExtended strand (participates in β ladder)trans-132.3134.2177.1-16755.1000111R312 C357 V358R312-N340 HydrophobicContact CB-CB 4.45Å; N340-C357 CarbonylContact O-C 3.55Å; N340-C357 VanDerWaalsContact O-CA 3.32Å; N340-C357 WeakPolarHBondContact O-CA 3.29Å; N340-V358 PolarHBondContact N-O 3.43Å; N340-V358 PolarHBondContact O-N 3.26Å
341P96.5Very high95.2Very high1 Ų151.4 Ų51.41%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-64.3146172.1-18.531.2000112I244 I286 V310 V355 K356I244-P341 HydrophobicContact CD1-CB 3.73Å; I286-P341 HydrophobicContact CG1-CG 3.67Å; I286-P341 HydrophobicContact CG2-CG 3.94Å; V310-P341 HydrophobicContact CG1-CG 4.15Å; P341-V355 HydrophobicContact CB-CG1 3.87Å; P341-V355 HydrophobicContact CG-CG1 4.28Å; P341-K356 WeakPolarHBondContact CA-O 3.4Å
342I96.5Very high95.3Very high56 Ų5651.7 Ų51.729%0.28728%0.281SS..EExtended strand (participates in β ladder)trans-128.7-22.6176.759171.4000113K356 V358 E362I342-K356 HydrophobicContact CD1-CD 3.99Å; I342-K356 HydrophobicContact CD1-CG 4.08Å; I342-K356 HydrophobicContact CG1-CB 4.2Å; I342-K356 HydrophobicContact CG1-CD 4.18Å; I342-K356 HydrophobicContact CG1-CG 3.99Å; I342-K356 WeakPolarHBondContact CG1-O 3.49Å; I342-K356 PolarHBondContact N-O 3.5Å; I342-V358 HydrophobicContact CG2-CB 4.48Å; I342-V358 HydrophobicContact CG2-CG1 3.87Å; I342-E362 HydrophobicContact CD1-CG 4.04Å; I342-E362 VanDerWaalsContact CD1-OE1 3.28Å; I342-E362 WeakPolarHBondContact CD1-OE1 3.26Å
343E97.5Very high95.4Very high45 Ų4555.7 Ų55.721%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-156.6135.7177.1176.8174.3-160.100111K245 I345 K356K245-E343 HydrophobicContact CB-CG 4.19Å; K245-E343 HydrophobicContact CD-CG 4.22Å; K245-E343 VanDerWaalsContact CD-OE1 3.28Å; K245-E343 WeakPolarHBondContact CD-OE1 3.23Å; K245-E343 VanDerWaalsContact CE-OE1 3.24Å; K245-E343 WeakPolarHBondContact CE-OE1 3.46Å; K245-E343 HydrophobicContact CG-CG 4.32Å; K245-E343 IonicContact NZ-OE1 2.79Å; K245-E343 PolarHBondContact NZ-OE1 3.22Å; E343-I345 HydrophobicContact CG-CG1 4.31Å; E343-K356 HydrophobicContact CB-CB 4.07Å; E343-K356 HydrophobicContact CB-CD 4.42Å; E343-K356 PolarHBondContact N-O 2.6Å; E343-K356 WeakPolarHBondContact O-CB 3.37Å; E343-K356 PolarHBondContact O-N 2.89Å
344Y97.5Very high95.4Very high4 Ų455.6 Ų55.62%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-93.7120.7165.7-62.7-63.3000109.2I244 K245 V252 I286 L352 V355 A370 E372I244-Y344 HydrophobicContact CD1-CD2 3.81Å; I244-Y344 HydrophobicContact CD1-CE2 3.56Å; I244-Y344 HydrophobicContact CD1-CG 4.41Å; I244-Y344 HydrophobicContact CG1-CD2 3.83Å; I244-Y344 HydrophobicContact CG1-CE2 3.62Å; K245-Y344 PolarHBondContact O-N 3.37Å; V252-Y344 HydrophobicContact CG1-CD2 4.49Å; V252-Y344 HydrophobicContact CG1-CE2 4.1Å; V252-Y344 HydrophobicContact CG2-CD1 4.41Å; V252-Y344 HydrophobicContact CG2-CD2 4.31Å; V252-Y344 HydrophobicContact CG2-CG 4.17Å; I286-Y344 HydrophobicContact CD1-CE1 4.49Å; Y344-L352 HydrophobicContact CD1-CD1 3.88Å; Y344-L352 HydrophobicContact CG-CD1 4.14Å; Y344-V355 HydrophobicContact CD1-CB 4.37Å; Y344-V355 HydrophobicContact CD1-CG1 3.91Å; Y344-V355 HydrophobicContact CD1-CG2 3.92Å; Y344-V355 HydrophobicContact CE1-CG1 3.79Å; Y344-V355 HydrophobicContact CE1-CG2 4.06Å; Y344-A370 HydrophobicContact CD1-CB 4.13Å; Y344-A370 HydrophobicContact CE1-CB 3.61Å; Y344-E372 WeakPolarHBondContact CE2-OE1 3.35Å; Y344-E372 WeakPolarHBondContact OH-CG 3.26Å; Y344-E372 PolarHBondContact OH-OE1 3.17Å
345I96.6Very high95.4Very high46 Ų4651.6 Ų51.624%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-95.7130.4-174-57172.1000109E343 K353 A354 K356 I364E343-I345 HydrophobicContact CG-CG1 4.31Å; I345-K353 PolarHBondContact O-N 3.26Å; I345-A354 HydrophobicContact CB-CB 4.29Å; I345-A354 HydrophobicContact CD1-CB 4.31Å; I345-A354 PolarHBondContact N-O 3.22Å; I345-A354 PolarHBondContact O-N 3.31Å; I345-K356 HydrophobicContact CD1-CB 4.19Å; I345-I364 HydrophobicContact CD1-CD1 3.96Å; I345-I364 HydrophobicContact CD1-CG1 4.28Å; I345-I364 HydrophobicContact CD1-CG2 4.21Å
346D95.2Very high95.4Very high73 Ų7351.8 Ų51.839%0.3927%0.269SS..EExtended strand (participates in β ladder)trans-89.6164.217978.3-38.5000113.4L249 G348 R351L249-D346 HydrophobicContact CD1-CB 3.8Å; L249-D346 HydrophobicContact CD2-CB 3.59Å; L249-D346 HydrophobicContact CG-CB 4.36Å; D346-G348 VanDerWaalsContact C-N 3.29Å; D346-G348 WeakPolarHBondContact OD2-CA 3.3Å; D346-G348 PolarHBondContact OD2-N 3.48Å; D346-R351 CarbonylContact C-O 3.5Å; D346-R351 WeakPolarHBondContact CA-O 3.36Å
347D92.7Very high95.4Very high68 Ų6849.8 Ų49.836%0.36426%0.26SS..  trans-84.30.217473.5-25.3000113.8N349 G350 R351 K353D347-N349 WeakPolarHBondContact OD1-CA 3.23Å; D347-N349 WeakPolarHBondContact OD1-CB 3.3Å; D347-N349 PolarHBondContact OD1-N 3.24Å; D347-N349 PolarHBondContact OD2-ND2 3.39Å; D347-G350 PolarHBondContact OD1-N 3.46Å; D347-R351 PolarHBondContact N-O 3.47Å; D347-R351 PolarHBondContact OD1-N 3.37Å; D347-R351 VanDerWaalsContact OD1-N 3.13Å; D347-K353 HydrophobicContact CB-CB 4.2Å; D347-K353 HydrophobicContact CB-CD 4.48Å
348G89.5Confident95.4Very high59 Ų5949.4 Ų49.461%0.60826%0.264SS*.SBendtrans91.1-8-170.700000114.6D346D346-G348 VanDerWaalsContact C-N 3.29Å; D346-G348 WeakPolarHBondContact OD2-CA 3.3Å; D346-G348 PolarHBondContact OD2-N 3.48Å
349N91.2Very high94.9Very high119 Ų11949.2 Ų49.264%0.63626%0.261SS*.SBendtrans-111.817.4174.5-59.1-59.8000112.2D347 R351D347-N349 WeakPolarHBondContact OD1-CA 3.23Å; D347-N349 WeakPolarHBondContact OD1-CB 3.3Å; D347-N349 PolarHBondContact OD1-N 3.24Å; D347-N349 PolarHBondContact OD2-ND2 3.39Å; N349-R351 VanDerWaalsContact C-N 3.32Å; N349-R351 PolarHBondContact O-N 2.76Å
350G91.5Very high94.4Very high24 Ų2457.9 Ų57.925%0.24730%0.303CS..SBendtrans71.920.2-17800000114.6N250 D347N250-G350 PolarHBondContact N-O 3.49Å; D347-G350 PolarHBondContact OD1-N 3.46Å
351R94.7Very high94.1Very high145 Ų14561.4 Ų61.455%0.54732%0.322SS..BIsolated β-bridgetrans-105.6145.1171-65.3-171.717499.41.2110.9N250 D346 D347 N349 K353N250-R351 HydrophobicContact CB-CG 4.13Å; N250-R351 WeakPolarHBondContact O-CA 3.22Å; D346-R351 CarbonylContact C-O 3.5Å; D346-R351 WeakPolarHBondContact CA-O 3.36Å; D347-R351 PolarHBondContact N-O 3.47Å; D347-R351 PolarHBondContact OD1-N 3.37Å; D347-R351 VanDerWaalsContact OD1-N 3.13Å; N349-R351 VanDerWaalsContact C-N 3.32Å; N349-R351 PolarHBondContact O-N 2.76Å; R351-K353 PolarHBondContact O-N 3.49Å
352L97Very high93.9Very high8 Ų867 Ų674%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-61132.1175.6-173.973.4000110.9L249 N250 V252 Y344 A367 T369 A370L249-L352 HydrophobicContact CD1-CD1 4.37Å; N250-L352 PolarHBondContact O-N 2.84Å; V252-L352 HydrophobicContact CG2-CD1 4.14Å; V252-L352 HydrophobicContact CG2-CD2 4.38Å; Y344-L352 HydrophobicContact CD1-CD1 3.88Å; Y344-L352 HydrophobicContact CG-CD1 4.14Å; L352-A367 CarbonylContact C-O 3.45Å; L352-A367 HydrophobicContact CD2-CB 4.26Å; L352-A367 WeakPolarHBondContact CG-O 3.3Å; L352-T369 VanDerWaalsContact CD2-C 3.48Å; L352-A370 HydrophobicContact CD2-CB 3.52Å; L352-A370 VanDerWaalsContact CD2-N 3.3Å
353K96Very high93.9Very high127 Ų12767 Ų6755%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-117.3-35.9174-179.8179.2175.7-177.20112.4I345 D347 R351 A367I345-K353 PolarHBondContact O-N 3.26Å; D347-K353 HydrophobicContact CB-CB 4.2Å; D347-K353 HydrophobicContact CB-CD 4.48Å; R351-K353 PolarHBondContact O-N 3.49Å; K353-A367 CarbonylContact C-O 3.55Å; K353-A367 WeakPolarHBondContact CA-O 3.44Å; K353-A367 PolarHBondContact O-N 2.69Å
354A96.7Very high93.8Very high6 Ų669.8 Ų69.85%0.0536%0.361CS..EExtended strand (participates in β ladder)trans-158.3159.2-178.600000112.4I345 I364 I365 A367I345-A354 HydrophobicContact CB-CB 4.29Å; I345-A354 HydrophobicContact CD1-CB 4.31Å; I345-A354 PolarHBondContact N-O 3.22Å; I345-A354 PolarHBondContact O-N 3.31Å; A354-I364 HydrophobicContact CB-CG2 3.49Å; A354-I364 VanDerWaalsContact CB-CG2 3.49Å; A354-I365 CarbonylContact C-O 3.58Å; A354-I365 VanDerWaalsContact CA-O 3.23Å; A354-I365 WeakPolarHBondContact CA-O 3.36Å; A354-I365 WeakPolarHBondContact CB-O 3.37Å; A354-A367 PolarHBondContact N-O 2.74Å
355V97.3Very high93.8Very high0 Ų070.2 Ų70.20%036%0.364CS..EExtended strand (participates in β ladder)trans-112.6120.1173.9-169.10000108.6V284 P341 Y344 I365 A367 A370V284-V355 HydrophobicContact CB-CG2 4.03Å; V284-V355 HydrophobicContact CG1-CG2 4.14Å; V284-V355 HydrophobicContact CG2-CG2 4.15Å; P341-V355 HydrophobicContact CB-CG1 3.87Å; P341-V355 HydrophobicContact CG-CG1 4.28Å; Y344-V355 HydrophobicContact CD1-CB 4.37Å; Y344-V355 HydrophobicContact CD1-CG1 3.91Å; Y344-V355 HydrophobicContact CD1-CG2 3.92Å; Y344-V355 HydrophobicContact CE1-CG1 3.79Å; Y344-V355 HydrophobicContact CE1-CG2 4.06Å; V355-I365 PolarHBondContact N-O 3.48Å; V355-I365 PolarHBondContact O-N 3.07Å; V355-A367 HydrophobicContact CG2-CB 3.93Å; V355-A370 HydrophobicContact CG2-CB 4.29Å
356K97.6Very high93.8Very high40 Ų4074.4 Ų74.417%0.17438%0.383CS..EExtended strand (participates in β ladder)trans-85.2124.3171.9-165.6-178.3-175-164.80109P341 I342 E343 I345 E362 F363 I364P341-K356 WeakPolarHBondContact CA-O 3.4Å; I342-K356 HydrophobicContact CD1-CD 3.99Å; I342-K356 HydrophobicContact CD1-CG 4.08Å; I342-K356 HydrophobicContact CG1-CB 4.2Å; I342-K356 HydrophobicContact CG1-CD 4.18Å; I342-K356 HydrophobicContact CG1-CG 3.99Å; I342-K356 WeakPolarHBondContact CG1-O 3.49Å; I342-K356 PolarHBondContact N-O 3.5Å; E343-K356 HydrophobicContact CB-CB 4.07Å; E343-K356 HydrophobicContact CB-CD 4.42Å; E343-K356 PolarHBondContact N-O 2.6Å; E343-K356 WeakPolarHBondContact O-CB 3.37Å; E343-K356 PolarHBondContact O-N 2.89Å; I345-K356 HydrophobicContact CD1-CB 4.19Å; K356-E362 WeakPolarHBondContact CE-OE2 3.48Å; K356-E362 IonicContact NZ-OE1 2.69Å; K356-E362 PolarHBondContact NZ-OE1 2.78Å; K356-E362 IonicContact NZ-OE2 2.71Å; K356-E362 PolarHBondContact NZ-OE2 2.81Å; K356-F363 WeakPolarHBondContact CA-O 3.32Å; K356-I364 HydrophobicContact CG-CG1 4.2Å
357C96.8Very high93.8Very high0 Ų071 Ų710%037%0.365CS..EExtended strand (participates in β ladder)trans-123.1163.1-176.8-680000111.1N340 E362 F363N340-C357 CarbonylContact O-C 3.55Å; N340-C357 VanDerWaalsContact O-CA 3.32Å; N340-C357 WeakPolarHBondContact O-CA 3.29Å; C357-E362 CarbonylContact O-C 3.52Å; C357-E362 WeakPolarHBondContact O-CA 3.17Å; C357-F363 HydrophobicContact CB-CD1 4.12Å; C357-F363 HydrophobicContact CB-CD2 4.36Å; C357-F363 HydrophobicContact CB-CE1 3.52Å; C357-F363 HydrophobicContact CB-CE2 3.83Å; C357-F363 HydrophobicContact CB-CG 4.5Å; C357-F363 HydrophobicContact CB-CZ 3.38Å; C357-F363 PolarHBondContact N-O 3.39Å; C357-F363 WeakPolarHBondContact O-CD1 3.03Å; C357-F363 PolarHBondContact O-N 3.43Å
358V94.8Very high94Very high51 Ų5169.9 Ų69.931%0.30936%0.359SS..EExtended strand (participates in β ladder)trans-126.9130.7171.964.30000110.3S339 N340 I342S339-V358 VanDerWaalsContact CA-O 3.31Å; S339-V358 WeakPolarHBondContact CA-O 3.39Å; N340-V358 PolarHBondContact N-O 3.43Å; N340-V358 PolarHBondContact O-N 3.26Å; I342-V358 HydrophobicContact CG2-CB 4.48Å; I342-V358 HydrophobicContact CG2-CG1 3.87Å
359Q87.1Confident94.3Very high98 Ų9867.1 Ų67.146%0.45833%0.33SS..SBendtrans-123.8-17.7173.4-169.1178.120.900112.2W337 L338 D361 F363W337-Q359 PolarHBondContact O-NE2 2.88Å; L338-Q359 HydrophobicContact CB-CG 4.39Å; Q359-D361 PolarHBondContact N-O 3.37Å; Q359-F363 HydrophobicContact CB-CD1 4.41Å; Q359-F363 HydrophobicContact CB-CE1 3.71Å; Q359-F363 HydrophobicContact CB-CZ 4.49Å
360M83.9Confident94.6Very high183 Ų18361.4 Ų61.490%0.90130%0.299SS*.SBendtrans-177.7-50.3168.1-97172.7-165.900105.6
361D88.7Confident94.9Very high136 Ų13660.3 Ų60.373%0.72729%0.288SS*.SBendtrans-98160.7164.2-62.5-45.6000110.8Q359Q359-D361 PolarHBondContact N-O 3.37Å
362E92.9Very high95Very high120 Ų12053.5 Ų53.556%0.56126%0.262SS*.EExtended strand (participates in β ladder)trans-76.2136.7172.5-60.9-175.6141.800110.7I342 K356 C357I342-E362 HydrophobicContact CD1-CG 4.04Å; I342-E362 VanDerWaalsContact CD1-OE1 3.28Å; I342-E362 WeakPolarHBondContact CD1-OE1 3.26Å; K356-E362 WeakPolarHBondContact CE-OE2 3.48Å; K356-E362 IonicContact NZ-OE1 2.69Å; K356-E362 PolarHBondContact NZ-OE1 2.78Å; K356-E362 IonicContact NZ-OE2 2.71Å; K356-E362 PolarHBondContact NZ-OE2 2.81Å; C357-E362 CarbonylContact O-C 3.52Å; C357-E362 WeakPolarHBondContact O-CA 3.17Å
363F96.6Very high94.8Very high54 Ų5453.6 Ų53.624%0.23726%0.264CS..EExtended strand (participates in β ladder)trans-141.3161.8174.266.9-78.3000110.5H336 K356 C357 Q359 I365H336-F363 AromaticContact ND1-CE2 3.88Å; K356-F363 WeakPolarHBondContact CA-O 3.32Å; C357-F363 HydrophobicContact CB-CD1 4.12Å; C357-F363 HydrophobicContact CB-CD2 4.36Å; C357-F363 HydrophobicContact CB-CE1 3.52Å; C357-F363 HydrophobicContact CB-CE2 3.83Å; C357-F363 HydrophobicContact CB-CG 4.5Å; C357-F363 HydrophobicContact CB-CZ 3.38Å; C357-F363 PolarHBondContact N-O 3.39Å; C357-F363 WeakPolarHBondContact O-CD1 3.03Å; C357-F363 PolarHBondContact O-N 3.43Å; Q359-F363 HydrophobicContact CB-CD1 4.41Å; Q359-F363 HydrophobicContact CB-CE1 3.71Å; Q359-F363 HydrophobicContact CB-CZ 4.49Å; F363-I365 HydrophobicContact CD2-CG1 4.03Å; F363-I365 HydrophobicContact CE2-CD1 3.8Å; F363-I365 HydrophobicContact CE2-CG1 3.71Å
364I96.4Very high94.6Very high104 Ų10450.5 Ų50.553%0.53325%0.253SS..EExtended strand (participates in β ladder)trans-120.2129.7-175.1-61.8175.8000109I345 A354 K356I345-I364 HydrophobicContact CD1-CD1 3.96Å; I345-I364 HydrophobicContact CD1-CG1 4.28Å; I345-I364 HydrophobicContact CD1-CG2 4.21Å; A354-I364 HydrophobicContact CB-CG2 3.49Å; A354-I364 VanDerWaalsContact CB-CG2 3.49Å; K356-I364 HydrophobicContact CG-CG1 4.2Å
365I96.5Very high94.2Very high13 Ų1351.7 Ų51.77%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-107119.5172.6-51.9171.2000107.3V284 V310 A354 V355 F363 A367V284-I365 HydrophobicContact CG2-CB 4.33Å; V284-I365 HydrophobicContact CG2-CG2 3.67Å; V310-I365 HydrophobicContact CG2-CD1 3.67Å; A354-I365 CarbonylContact C-O 3.58Å; A354-I365 VanDerWaalsContact CA-O 3.23Å; A354-I365 WeakPolarHBondContact CA-O 3.36Å; A354-I365 WeakPolarHBondContact CB-O 3.37Å; V355-I365 PolarHBondContact N-O 3.48Å; V355-I365 PolarHBondContact O-N 3.07Å; F363-I365 HydrophobicContact CD2-CG1 4.03Å; F363-I365 HydrophobicContact CE2-CD1 3.8Å; F363-I365 HydrophobicContact CE2-CG1 3.71Å; I365-A367 PolarHBondContact O-N 3.23Å
366E96.3Very high93.6Very high135 Ų13552.9 Ų52.963%0.63127%0.272SS*.EExtended strand (participates in β ladder)trans-65.1130172.4-65.6-171.7162.600110.2N282N282-E366 WeakPolarHBondContact CB-O 3.34Å
367A96.5Very high93.1Very high2 Ų251.6 Ų51.62%0.01727%0.27CS..  trans-155.1133-178.300000110.5N282 V284 L352 K353 A354 V355 I365N282-A367 CarbonylContact O-C 3.59Å; N282-A367 WeakPolarHBondContact O-CA 3.2Å; V284-A367 HydrophobicContact CB-CB 4.17Å; V284-A367 HydrophobicContact CG2-CB 3.59Å; L352-A367 CarbonylContact C-O 3.45Å; L352-A367 HydrophobicContact CD2-CB 4.26Å; L352-A367 WeakPolarHBondContact CG-O 3.3Å; K353-A367 CarbonylContact C-O 3.55Å; K353-A367 WeakPolarHBondContact CA-O 3.44Å; K353-A367 PolarHBondContact O-N 2.69Å; A354-A367 PolarHBondContact N-O 2.74Å; V355-A367 HydrophobicContact CG2-CB 3.93Å; I365-A367 PolarHBondContact O-N 3.23Å
368D95.3Very high92.7Very high44 Ų4452.4 Ų52.424%0.23528%0.276CS..SBendtrans-97-12.3171.454.92.9000112.6Q278 S280 K281 N282Q278-D368 PolarHBondContact NE2-O 3.25Å; Q278-D368 VanDerWaalsContact NE2-O 3.16Å; S280-D368 VanDerWaalsContact CB-OD1 3.27Å; S280-D368 WeakPolarHBondContact CB-OD1 3.44Å; K281-D368 PolarHBondContact N-OD1 2.87Å; K281-D368 VanDerWaalsContact N-OD1 3.16Å; K281-D368 PolarHBondContact N-OD2 2.9Å; N282-D368 PolarHBondContact N-OD1 2.89Å; N282-D368 PolarHBondContact O-N 3.3Å
369T97Very high92.3Very high0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-137.5135.4169.2-73.60000111.7G251 Y253 Q278 S280 N282 V283 V284 L352 I371G251-T369 CarbonylContact O-C 3.44Å; G251-T369 VanDerWaalsContact O-CA 3.24Å; G251-T369 WeakPolarHBondContact O-CA 3.4Å; Y253-T369 HydrophobicContact CD2-CG2 3.86Å; Y253-T369 HydrophobicContact CE2-CG2 4.02Å; Q278-T369 PolarHBondContact NE2-OG1 3.3Å; S280-T369 WeakPolarHBondContact OG-CB 3.3Å; S280-T369 PolarHBondContact OG-OG1 2.82Å; N282-T369 PolarHBondContact O-N 3.45Å; V283-T369 WeakPolarHBondContact CA-O 3.38Å; V283-T369 HydrophobicContact CG1-CG2 4.16Å; V284-T369 PolarHBondContact N-O 3.42Å; L352-T369 VanDerWaalsContact CD2-C 3.48Å; T369-I371 HydrophobicContact CG2-CD1 4.3Å; T369-I371 HydrophobicContact CG2-CG1 3.91Å
370A97.4Very high92.1Very high0 Ų055.8 Ų55.80%029%0.289CS..EExtended strand (participates in β ladder)trans-120.8133.7170.900000110.4G251 V252 Y253 V284 I286 Y344 L352 V355G251-A370 PolarHBondContact O-N 3.48Å; V252-A370 CarbonylContact C-O 3.57Å; V252-A370 WeakPolarHBondContact CA-O 3.45Å; V252-A370 HydrophobicContact CG2-CB 4.37Å; Y253-A370 PolarHBondContact N-O 3.32Å; V284-A370 CarbonylContact O-C 3.47Å; V284-A370 WeakPolarHBondContact O-CA 3.34Å; I286-A370 HydrophobicContact CD1-CB 4.15Å; Y344-A370 HydrophobicContact CD1-CB 4.13Å; Y344-A370 HydrophobicContact CE1-CB 3.61Å; L352-A370 HydrophobicContact CD2-CB 3.52Å; L352-A370 VanDerWaalsContact CD2-N 3.3Å; V355-A370 HydrophobicContact CG2-CB 4.29Å
371I97Very high92.2Very high0 Ų049.4 Ų49.40%026%0.261CS..EExtended strand (participates in β ladder)trans-122.4114.6-177.6-53.5167.9000109.8Y253 Y258 V283 V284 V285 I286 A295 T369 A373Y253-I371 CarbonylContact O-C 3.48Å; Y253-I371 WeakPolarHBondContact O-CA 3.29Å; Y258-I371 HydrophobicContact CD1-CD1 3.65Å; Y258-I371 HydrophobicContact CD2-CD1 3.8Å; Y258-I371 HydrophobicContact CD2-CG1 4.19Å; Y258-I371 HydrophobicContact CE1-CD1 3.58Å; Y258-I371 HydrophobicContact CE2-CD1 3.75Å; Y258-I371 HydrophobicContact CE2-CG1 4.46Å; Y258-I371 HydrophobicContact CG-CD1 3.74Å; Y258-I371 HydrophobicContact CG-CG1 4.24Å; Y258-I371 HydrophobicContact CG-CG2 4.45Å; V283-I371 HydrophobicContact CG1-CD1 3.91Å; V283-I371 HydrophobicContact CG1-CG1 4.42Å; V284-I371 PolarHBondContact O-N 3.43Å; V285-I371 WeakPolarHBondContact CA-O 3.5Å; V285-I371 HydrophobicContact CG1-CB 4.44Å; V285-I371 HydrophobicContact CG2-CB 4.25Å; V285-I371 HydrophobicContact CG2-CD1 4.17Å; I286-I371 WeakPolarHBondContact CD1-O 3.14Å; I286-I371 PolarHBondContact N-O 3.43Å; A295-I371 HydrophobicContact CB-CD1 4.28Å; A295-I371 HydrophobicContact CB-CG2 4Å; T369-I371 HydrophobicContact CG2-CD1 4.3Å; T369-I371 HydrophobicContact CG2-CG1 3.91Å; I371-A373 PolarHBondContact O-N 2.81Å
372E96.5Very high92.2Very high2 Ų243.3 Ų43.31%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-85.7107.8179.1-62.9-167.517700111.3F241 Q242 Y253 S255 I286 Y344F241-E372 WeakPolarHBondContact CA-OE2 3.04Å; Q242-E372 PolarHBondContact N-OE2 3.02Å; Y253-E372 PolarHBondContact O-N 2.9Å; S255-E372 WeakPolarHBondContact CB-O 3.33Å; S255-E372 PolarHBondContact N-O 3.18Å; S255-E372 PolarHBondContact OG-O 3.08Å; I286-E372 HydrophobicContact CD1-CG 4.41Å; Y344-E372 WeakPolarHBondContact CE2-OE1 3.35Å; Y344-E372 WeakPolarHBondContact OH-CG 3.26Å; Y344-E372 PolarHBondContact OH-OE1 3.17Å
373A94.6Very high91.9Very high11 Ų1138.3 Ų38.39%0.09121%0.205CC..  trans-11449.5179.200000111.3V285 I286 V291 A292 I371V285-A373 HydrophobicContact CG1-CB 4.32Å; I286-A373 CarbonylContact O-C 3.5Å; I286-A373 WeakPolarHBondContact O-CA 3.34Å; I286-A373 PolarHBondContact O-N 3.37Å; V291-A373 HydrophobicContact CG1-CB 4.24Å; A292-A373 HydrophobicContact CB-CB 3.75Å; I371-A373 PolarHBondContact O-N 2.81Å
374I91.6Very high91.4Very high61 Ų6141.3 Ų41.331%0.31322%0.224SC..SBendtrans-100.714.6-168.861.9176.5000114.4R240 Q242 I286R240-I374 HydrophobicContact CB-CG1 4.28Å; R240-I374 WeakPolarHBondContact O-CG1 3.36Å; Q242-I374 HydrophobicContact CB-CD1 4.38Å; Q242-I374 HydrophobicContact CG-CD1 3.52Å; I286-I374 HydrophobicContact CB-CG2 4.42Å; I286-I374 HydrophobicContact CG2-CG2 3.81Å; I286-I374 WeakPolarHBondContact O-CG2 3.15Å
375G86.8Confident90.9Very high31 Ų3138.9 Ų38.932%0.3221%0.214SC..  trans109173.3179.300000113.4R240R240-G375 WeakPolarHBondContact CB-O 3.22Å; R240-G375 PolarHBondContact N-O 2.68Å
376Q86.3Confident90.5Very high26 Ų2638.6 Ų38.612%0.12121%0.212CC..EExtended strand (participates in β ladder)trans-136158.8-173.4-59.7172.6-7.200110.7A236 A238 S256 Y396A236-Q376 WeakPolarHBondContact O-CB 3.36Å; A236-Q376 PolarHBondContact O-OE1 3.19Å; A238-Q376 CarbonylContact O-C 3.54Å; A238-Q376 WeakPolarHBondContact O-CA 3.28Å; A238-Q376 WeakPolarHBondContact O-CB 3.45Å; S256-Q376 PolarHBondContact OG-NE2 2.97Å; Q376-Y396 PolarHBondContact O-OH 2.9Å
377G86.9Confident89.9Confident13 Ų1337.7 Ų37.713%0.13422%0.218CC..EExtended strand (participates in β ladder)trans-117.2174.2176.700000112.5A236 G237 A238A236-G377 CarbonylContact C-O 3.59Å; A236-G377 VanDerWaalsContact CA-O 3.28Å; A236-G377 WeakPolarHBondContact CA-O 3.47Å; G237-G377 PolarHBondContact N-O 3.43Å; A238-G377 WeakPolarHBondContact CB-O 3.36Å; A238-G377 PolarHBondContact N-O 2.8Å; A238-G377 PolarHBondContact O-N 2.75Å
378A87.6Confident89.4Confident17 Ų1744.5 Ų44.514%0.1425%0.249CC..  trans-64.6138.517500000111.6L383 G395 Y396 I417A378-L383 HydrophobicContact CB-CD1 3.85Å; A378-G395 VanDerWaalsContact CB-O 3.29Å; A378-G395 WeakPolarHBondContact CB-O 3.34Å; A378-Y396 HydrophobicContact CB-CD1 4.02Å; A378-Y396 HydrophobicContact CB-CE1 4.25Å; A378-I417 HydrophobicContact CB-CD1 3.68Å
379N85.4Confident89.1Confident83 Ų8342.9 Ų42.944%0.44424%0.24SC..  trans-77.4124.6169.4-172.1-12.6000109.1V381N379-V381 VanDerWaalsContact C-N 3.33Å; N379-V381 PolarHBondContact O-N 3.31Å; N379-V381 WeakPolarHBondContact OD1-CG2 3.22Å; N379-V381 PolarHBondContact OD1-N 3.15Å
380K84.9Confident88.9Confident136 Ų13645.5 Ų45.559%0.59126%0.259SS*.Hα-helixtrans-77.9-12.9-173.5-62.5-169.1175.3-169.60114.7L382 L383 D384K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 2.88Å; K380-L383 PolarHBondContact O-N 3.31Å; K380-L383 VanDerWaalsContact O-N 3.16Å; K380-D384 WeakPolarHBondContact CB-OD2 3.47Å; K380-D384 WeakPolarHBondContact O-CB 3.41Å; K380-D384 PolarHBondContact O-N 2.86Å
381V85.4Confident88.7Confident50 Ų5049.1 Ų49.130%0.30328%0.278SS..Hα-helixtrans-52.4-47.1-172.9171.80000113.2V213 K216 N379 T385V213-V381 HydrophobicContact CG1-CG1 3.61Å; K216-V381 HydrophobicContact CG-CG1 3.78Å; N379-V381 VanDerWaalsContact C-N 3.33Å; N379-V381 PolarHBondContact O-N 3.31Å; N379-V381 WeakPolarHBondContact OD1-CG2 3.22Å; N379-V381 PolarHBondContact OD1-N 3.15Å; V381-T385 PolarHBondContact O-OG1 2.7Å
382L87.4Confident88.3Confident8 Ų851.3 Ų51.34%0.04229%0.29CS..Hα-helixtrans-77-47.3175.9177.768.4000111.4I147 V214 L232 V234 K380 D384 T385 F386I147-L382 HydrophobicContact CG2-CD2 4.45Å; V214-L382 HydrophobicContact CB-CD1 4.12Å; V214-L382 HydrophobicContact CG1-CD1 3.64Å; L232-L382 HydrophobicContact CD2-CD2 4.11Å; V234-L382 HydrophobicContact CG1-CD2 3.82Å; V234-L382 HydrophobicContact CG2-CD2 4.4Å; K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 2.88Å; L382-D384 PolarHBondContact O-N 2.73Å; L382-T385 PolarHBondContact O-N 3.33Å; L382-T385 PolarHBondContact O-OG1 2.96Å; L382-F386 PolarHBondContact O-N 3.42Å
383L88.1Confident87.9Confident14 Ų1460.1 Ų60.17%0.07333%0.328CS..Hα-helixtrans-62.7-39.2-171.9-55.9-177000112.7A378 K380 T385 F386 L389 L391 G395 I397 I417A378-L383 HydrophobicContact CB-CD1 3.85Å; K380-L383 PolarHBondContact O-N 3.31Å; K380-L383 VanDerWaalsContact O-N 3.16Å; L383-T385 PolarHBondContact O-N 3.02Å; L383-F386 PolarHBondContact O-N 2.7Å; L383-L389 HydrophobicContact CD2-CD2 4.31Å; L383-L391 HydrophobicContact CB-CD1 4.39Å; L383-L391 HydrophobicContact CD1-CD1 4.24Å; L383-L391 HydrophobicContact CD1-CD2 4.17Å; L383-L391 HydrophobicContact CD2-CD2 4.06Å; L383-G395 WeakPolarHBondContact CD1-O 3.27Å; L383-I397 HydrophobicContact CD2-CD1 4Å; L383-I397 HydrophobicContact CD2-CG1 3.73Å; L383-I417 HydrophobicContact CD1-CD1 4.29Å
384D86.3Confident87.5Confident118 Ų11867.9 Ų67.963%0.63136%0.355SS*.THydrogen-bonded Turntrans-67.1-20.8177.8-71.9-11.2000112.2K380 L382K380-D384 WeakPolarHBondContact CB-OD2 3.47Å; K380-D384 WeakPolarHBondContact O-CB 3.41Å; K380-D384 PolarHBondContact O-N 2.86Å; L382-D384 PolarHBondContact O-N 2.73Å
385T85.2Confident87.4Confident53 Ų5366.3 Ų66.333%0.32535%0.354SS..THydrogen-bonded Turntrans-99.62.6179.759.60000113.3G215 V381 L382 L383G215-T385 VanDerWaalsContact CA-OG1 3.22Å; G215-T385 WeakPolarHBondContact CA-OG1 3.36Å; G215-T385 WeakPolarHBondContact O-CG2 3.2Å; V381-T385 PolarHBondContact O-OG1 2.7Å; L382-T385 PolarHBondContact O-N 3.33Å; L382-T385 PolarHBondContact O-OG1 2.96Å; L383-T385 PolarHBondContact O-N 3.02Å
386F87.4Confident87.7Confident7 Ų765.9 Ų65.93%0.03134%0.342CS..  trans-13467.6-179.9-163.1-157.1000111.4M220 I224 L382 L383 E388 L389 I408 V411M220-F386 HydrophobicContact CB-CD1 4.21Å; M220-F386 HydrophobicContact CB-CD2 4.15Å; M220-F386 HydrophobicContact CB-CE1 4.38Å; M220-F386 HydrophobicContact CB-CE2 4.3Å; M220-F386 HydrophobicContact CB-CG 4.11Å; M220-F386 HydrophobicContact CB-CZ 4.4Å; M220-F386 HydrophobicContact CE-CE1 4.36Å; M220-F386 HydrophobicContact CG-CD1 3.71Å; M220-F386 HydrophobicContact CG-CD2 4.18Å; M220-F386 HydrophobicContact CG-CE1 3.47Å; M220-F386 VanDerWaalsContact CG-CE1 3.47Å; M220-F386 HydrophobicContact CG-CE2 3.96Å; M220-F386 HydrophobicContact CG-CG 4.07Å; M220-F386 HydrophobicContact CG-CZ 3.58Å; M220-F386 HydrophobicContact SD-CE1 4.35Å; I224-F386 HydrophobicContact CD1-CE2 4.13Å; I224-F386 HydrophobicContact CD1-CZ 3.66Å; L382-F386 PolarHBondContact O-N 3.42Å; L383-F386 PolarHBondContact O-N 2.7Å; F386-E388 VanDerWaalsContact C-N 3.26Å; F386-E388 PolarHBondContact O-N 3.2Å; F386-L389 HydrophobicContact CD1-CB 3.82Å; F386-L389 HydrophobicContact CD1-CD2 3.87Å; F386-L389 HydrophobicContact CD1-CG 4.38Å; F386-L389 HydrophobicContact CE1-CB 4.17Å; F386-L389 HydrophobicContact CE1-CD2 4.29Å; F386-L389 HydrophobicContact CG-CB 4.19Å; F386-L389 WeakPolarHBondContact O-CB 3.47Å; F386-L389 PolarHBondContact O-N 2.71Å; F386-L389 VanDerWaalsContact O-N 3.15Å; F386-I408 HydrophobicContact CD1-CD1 4.46Å; F386-I408 HydrophobicContact CD2-CD1 4.34Å; F386-I408 HydrophobicContact CE1-CD1 3.63Å; F386-I408 HydrophobicContact CE2-CD1 3.5Å; F386-I408 VanDerWaalsContact CE2-CD1 3.5Å; F386-I408 HydrophobicContact CZ-CD1 3.08Å; F386-I408 HydrophobicContact CZ-CG1 4.43Å; F386-I408 HydrophobicContact CZ-CG2 4.48Å; F386-V411 HydrophobicContact CE1-CG1 4.45Å
387P83.5Confident88Confident116 Ų11664.6 Ų64.675%0.75334%0.337SS*.THydrogen-bonded Turntrans-69.2-18.5-167.928.4-36.5000114.7L389P387-L389 PolarHBondContact O-N 3.21Å
388E85.8Confident88.3Confident145 Ų14568.4 Ų68.468%0.67835%0.354SS*.THydrogen-bonded Turntrans-72.5-17.4176.1-59.9-172.2-175.600112.5F386 S390 S407 I408F386-E388 VanDerWaalsContact C-N 3.26Å; F386-E388 PolarHBondContact O-N 3.2Å; E388-S390 PolarHBondContact O-N 3.24Å; E388-S407 PolarHBondContact O-OG 3.4Å; E388-I408 HydrophobicContact CB-CD1 3.91Å
389L90.7Very high88.6Confident9 Ų968 Ų685%0.04735%0.351CS..SBendtrans-78.3117.4179.1-17364.3000110L232 L383 F386 P387 L391 I397 T406 I408L232-L389 HydrophobicContact CD1-CD2 3.75Å; L383-L389 HydrophobicContact CD2-CD2 4.31Å; F386-L389 HydrophobicContact CD1-CB 3.82Å; F386-L389 HydrophobicContact CD1-CD2 3.87Å; F386-L389 HydrophobicContact CD1-CG 4.38Å; F386-L389 HydrophobicContact CE1-CB 4.17Å; F386-L389 HydrophobicContact CE1-CD2 4.29Å; F386-L389 HydrophobicContact CG-CB 4.19Å; F386-L389 WeakPolarHBondContact O-CB 3.47Å; F386-L389 PolarHBondContact O-N 2.71Å; F386-L389 VanDerWaalsContact O-N 3.15Å; P387-L389 PolarHBondContact O-N 3.21Å; L389-L391 PolarHBondContact O-N 3.3Å; L389-I397 HydrophobicContact CD1-CG2 4.01Å; L389-I397 HydrophobicContact CD2-CD1 3.76Å; L389-I397 HydrophobicContact CD2-CG1 3.75Å; L389-I397 HydrophobicContact CD2-CG2 4.09Å; L389-I397 HydrophobicContact CG-CG1 4.49Å; L389-I397 HydrophobicContact CG-CG2 4.13Å; L389-T406 HydrophobicContact CD1-CG2 4.01Å; L389-I408 HydrophobicContact CB-CD1 4.09Å; L389-I408 HydrophobicContact CD1-CD1 4.22Å; L389-I408 HydrophobicContact CD1-CG1 4.48Å
390S91.6Very high88.8Confident56 Ų5667.9 Ų67.939%0.39235%0.35SS..  trans-67.4133.7179.4-64.90000110.9E388 D398 S407E388-S390 PolarHBondContact O-N 3.24Å; S390-D398 WeakPolarHBondContact O-CB 3.25Å; S390-D398 PolarHBondContact O-N 3.34Å; S390-S407 WeakPolarHBondContact CB-OG 3.28Å; S390-S407 PolarHBondContact N-OG 2.68Å; S390-S407 VanDerWaalsContact OG-CB 3.28Å; S390-S407 WeakPolarHBondContact OG-CB 3.47Å; S390-S407 PolarHBondContact OG-OG 3.4Å
391L93Very high88.8Confident76 Ų7669 Ų6940%0.39836%0.357SS..BIsolated β-bridgetrans-114.9144.2175.6-54.2-178000109.9L383 L389 Y396 I397L383-L391 HydrophobicContact CB-CD1 4.39Å; L383-L391 HydrophobicContact CD1-CD1 4.24Å; L383-L391 HydrophobicContact CD1-CD2 4.17Å; L383-L391 HydrophobicContact CD2-CD2 4.06Å; L389-L391 PolarHBondContact O-N 3.3Å; L391-Y396 CarbonylContact C-O 3.47Å; L391-Y396 WeakPolarHBondContact CA-O 3.43Å; L391-Y396 WeakPolarHBondContact CB-O 3.37Å; L391-I397 HydrophobicContact CD2-CG1 4.11Å
392N90.3Very high88.7Confident46 Ų4674.7 Ų74.725%0.24638%0.38CS..  trans-75.6173.217372.427.8000111.5W394 G395 Y396N392-W394 PolarHBondContact O-N 2.87Å; N392-W394 WeakPolarHBondContact OD1-CA 3.23Å; N392-W394 WeakPolarHBondContact OD1-CB 3.12Å; N392-W394 PolarHBondContact OD1-N 3.02Å; N392-G395 PolarHBondContact O-N 3.28Å; N392-G395 PolarHBondContact OD1-N 3.02Å; N392-Y396 PolarHBondContact N-O 2.84Å; N392-Y396 PolarHBondContact OD1-N 2.89Å
393K88.1Confident88.9Confident186 Ų18676.3 Ų76.381%0.80939%0.391SS*.THydrogen-bonded Turntrans-57.6-14.6-178.469.1-177.1177.7-173.10115.5
394W85.5Confident89.3Confident175 Ų17575.9 Ų75.966%0.66339%0.389SS*.THydrogen-bonded Turntrans-99.7-1.4179.2-57.9114.1000113.2N392 Y396N392-W394 PolarHBondContact O-N 2.87Å; N392-W394 WeakPolarHBondContact OD1-CA 3.23Å; N392-W394 WeakPolarHBondContact OD1-CB 3.12Å; N392-W394 PolarHBondContact OD1-N 3.02Å; W394-Y396 HydrophobicContact CB-CD2 3.58Å; W394-Y396 HydrophobicContact CB-CE2 3.68Å
395G88.8Confident89.6Confident28 Ų2872 Ų7229%0.28937%0.373SS..SBendtrans82.515.1-179.100000114.5A378 L383 N392A378-G395 VanDerWaalsContact CB-O 3.29Å; A378-G395 WeakPolarHBondContact CB-O 3.34Å; L383-G395 WeakPolarHBondContact CD1-O 3.27Å; N392-G395 PolarHBondContact O-N 3.28Å; N392-G395 PolarHBondContact OD1-N 3.02Å
396Y92.5Very high90.1Very high21 Ų2170.4 Ų70.48%0.08236%0.364CS..SBendtrans-89.8157.9170.9-61.3-59.8000110A236 Q376 A378 L391 N392 W394 D398 I417A236-Y396 HydrophobicContact CB-CE1 3.89Å; Q376-Y396 PolarHBondContact O-OH 2.9Å; A378-Y396 HydrophobicContact CB-CD1 4.02Å; A378-Y396 HydrophobicContact CB-CE1 4.25Å; L391-Y396 CarbonylContact C-O 3.47Å; L391-Y396 WeakPolarHBondContact CA-O 3.43Å; L391-Y396 WeakPolarHBondContact CB-O 3.37Å; N392-Y396 PolarHBondContact N-O 2.84Å; N392-Y396 PolarHBondContact OD1-N 2.89Å; W394-Y396 HydrophobicContact CB-CD2 3.58Å; W394-Y396 HydrophobicContact CB-CE2 3.68Å; Y396-D398 PolarHBondContact O-N 2.92Å; Y396-I417 WeakPolarHBondContact CA-O 3.17Å; Y396-I417 WeakPolarHBondContact CB-O 3.5Å
397I94.1Very high90.2Very high0 Ų072.8 Ų72.80%038%0.381CS..BIsolated β-bridgetrans-64129.7176.9-63170.1000108.8L232 L383 L389 L391 A399 T406 A413 I417 V418L232-I397 HydrophobicContact CB-CD1 4.09Å; L232-I397 HydrophobicContact CD1-CD1 3.87Å; L383-I397 HydrophobicContact CD2-CD1 4Å; L383-I397 HydrophobicContact CD2-CG1 3.73Å; L389-I397 HydrophobicContact CD1-CG2 4.01Å; L389-I397 HydrophobicContact CD2-CD1 3.76Å; L389-I397 HydrophobicContact CD2-CG1 3.75Å; L389-I397 HydrophobicContact CD2-CG2 4.09Å; L389-I397 HydrophobicContact CG-CG1 4.49Å; L389-I397 HydrophobicContact CG-CG2 4.13Å; L391-I397 HydrophobicContact CD2-CG1 4.11Å; I397-A399 HydrophobicContact CG2-CB 4.39Å; I397-A399 PolarHBondContact O-N 3.47Å; I397-T406 HydrophobicContact CG2-CG2 3.86Å; I397-A413 HydrophobicContact CB-CB 4.22Å; I397-A413 HydrophobicContact CD1-CB 3.95Å; I397-A413 HydrophobicContact CG2-CB 3.74Å; I397-I417 HydrophobicContact CD1-CG1 3.53Å; I397-I417 HydrophobicContact CD1-CG2 4.19Å; I397-I417 HydrophobicContact CG1-CD1 4.5Å; I397-I417 HydrophobicContact CG1-CG1 3.81Å; I397-I417 PolarHBondContact N-O 3.31Å; I397-V418 HydrophobicContact CB-CG2 4.48Å
398D93.1Very high90.6Very high92 Ų9268.3 Ų68.349%0.49235%0.35SS..  trans-80.295.2173.3-16421.5000108.7S390 Y396S390-D398 WeakPolarHBondContact O-CB 3.25Å; S390-D398 PolarHBondContact O-N 3.34Å; Y396-D398 PolarHBondContact O-N 2.92Å
399A93.8Very high90.7Very high9 Ų966 Ų667%0.07435%0.348CS..  trans-123.3143.2177.700000109.9I397 E401 A405 T406 A413 V418I397-A399 HydrophobicContact CG2-CB 4.39Å; I397-A399 PolarHBondContact O-N 3.47Å; A399-E401 PolarHBondContact O-N 2.79Å; A399-A405 CarbonylContact C-O 3.55Å; A399-A405 VanDerWaalsContact CA-O 3.22Å; A399-A405 WeakPolarHBondContact CA-O 3.33Å; A399-T406 HydrophobicContact CB-CG2 4.18Å; A399-A413 HydrophobicContact CB-CB 4.16Å; A399-V418 HydrophobicContact CB-CG1 4.09Å; A399-V418 HydrophobicContact CB-CG2 3.85Å
400D89.8Confident90.7Very high81 Ų8166 Ų6643%0.43335%0.351SS..  trans-64.9125.7177.5176.7-73.2000110.4E402 T403 C404 A405D400-E402 VanDerWaalsContact C-N 3.26Å; D400-E402 PolarHBondContact O-N 2.87Å; D400-E402 WeakPolarHBondContact OD1-CA 3.46Å; D400-E402 WeakPolarHBondContact OD1-CB 3.31Å; D400-E402 PolarHBondContact OD1-N 3.32Å; D400-T403 VanDerWaalsContact CB-OG1 3.28Å; D400-T403 WeakPolarHBondContact CB-OG1 3.39Å; D400-T403 PolarHBondContact O-N 2.99Å; D400-T403 PolarHBondContact OD1-N 3.24Å; D400-T403 PolarHBondContact OD1-OG1 3.4Å; D400-C404 WeakPolarHBondContact O-CA 3.48Å; D400-C404 PolarHBondContact O-N 3.21Å; D400-A405 PolarHBondContact N-O 3.22Å
401E84Confident90.9Very high159 Ų15963.5 Ų63.574%0.74333%0.332SS*.THydrogen-bonded Turntrans-68.9-22.1-173.8-67.1-175-175.600113.6A399A399-E401 PolarHBondContact O-N 2.79Å
402E84.8Confident91.1Very high169 Ų16960.4 Ų60.479%0.7932%0.316SS*.THydrogen-bonded Turntrans-88.9-25.1-179.6-63.7-169.9169.100112.4D400 I433D400-E402 VanDerWaalsContact C-N 3.26Å; D400-E402 PolarHBondContact O-N 2.87Å; D400-E402 WeakPolarHBondContact OD1-CA 3.46Å; D400-E402 WeakPolarHBondContact OD1-CB 3.31Å; D400-E402 PolarHBondContact OD1-N 3.32Å; E402-I433 WeakPolarHBondContact O-CG2 3.43Å
403T91.1Very high91.5Very high42 Ų4258.2 Ų58.226%0.25831%0.305SS..THydrogen-bonded Turntrans-122.6-12-173.161.10000114.8D400 A405 E437D400-T403 VanDerWaalsContact CB-OG1 3.28Å; D400-T403 WeakPolarHBondContact CB-OG1 3.39Å; D400-T403 PolarHBondContact O-N 2.99Å; D400-T403 PolarHBondContact OD1-N 3.24Å; D400-T403 PolarHBondContact OD1-OG1 3.4Å; T403-A405 PolarHBondContact O-N 2.84Å; T403-A405 VanDerWaalsContact O-N 3.13Å; T403-A405 WeakPolarHBondContact OG1-CB 3.24Å; T403-A405 PolarHBondContact OG1-N 3.15Å; T403-E437 WeakPolarHBondContact O-CB 3.43Å; T403-E437 WeakPolarHBondContact O-CG 3.48Å
404C95Very high91.8Very high5 Ų549.5 Ų49.53%0.03427%0.267CS..  trans59.210.3-169.9-60.90000114.3D400 F412 A413 A430 A434D400-C404 WeakPolarHBondContact O-CA 3.48Å; D400-C404 PolarHBondContact O-N 3.21Å; C404-F412 HydrophobicContact CB-CD1 4.49Å; C404-F412 CarbonylContact O-C 3.41Å; C404-F412 WeakPolarHBondContact O-CA 3.27Å; C404-F412 WeakPolarHBondContact O-CB 3.46Å; C404-A413 VanDerWaalsContact CB-O 3.32Å; C404-A413 WeakPolarHBondContact CB-O 3.48Å; C404-A413 PolarHBondContact O-N 3.34Å; C404-A430 PolarHBondContact SG-O 3.45Å; C404-A434 HydrophobicContact CB-CB 4Å
405A94.2Very high92.1Very high36 Ų3641.3 Ų41.330%0.29824%0.237SC..BIsolated β-bridgetrans-72.7137-178.500000111A399 D400 T403 F412A399-A405 CarbonylContact C-O 3.55Å; A399-A405 VanDerWaalsContact CA-O 3.22Å; A399-A405 WeakPolarHBondContact CA-O 3.33Å; D400-A405 PolarHBondContact N-O 3.22Å; T403-A405 PolarHBondContact O-N 2.84Å; T403-A405 VanDerWaalsContact O-N 3.13Å; T403-A405 WeakPolarHBondContact OG1-CB 3.24Å; T403-A405 PolarHBondContact OG1-N 3.15Å; A405-F412 HydrophobicContact CB-CD1 4.32Å; A405-F412 HydrophobicContact CB-CE1 4.19Å
406T95.2Very high92.3Very high21 Ų2141.7 Ų41.713%0.12923%0.233CC..  trans-95.9-175.1176.8730000111.6L389 I397 A399 I408 V411 A413L389-T406 HydrophobicContact CD1-CG2 4.01Å; I397-T406 HydrophobicContact CG2-CG2 3.86Å; A399-T406 HydrophobicContact CB-CG2 4.18Å; T406-I408 PolarHBondContact O-N 3.29Å; T406-I408 PolarHBondContact OG1-N 3.41Å; T406-I408 VanDerWaalsContact OG1-N 3.16Å; T406-I408 PolarHBondContact OG1-O 3.37Å; T406-V411 WeakPolarHBondContact CB-O 3.37Å; T406-V411 HydrophobicContact CG2-CG1 4.39Å; T406-V411 WeakPolarHBondContact CG2-O 3.25Å; T406-V411 PolarHBondContact N-O 3.13Å; T406-V411 PolarHBondContact OG1-O 3.2Å; T406-A413 HydrophobicContact CG2-CB 3.63Å
407S90.1Very high92.3Very high56 Ų5640.7 Ų40.739%0.39223%0.229SC..SBendtrans-65.6-9.1170.862.40000114.4E388 S390E388-S407 PolarHBondContact O-OG 3.4Å; S390-S407 WeakPolarHBondContact CB-OG 3.28Å; S390-S407 PolarHBondContact N-OG 2.68Å; S390-S407 VanDerWaalsContact OG-CB 3.28Å; S390-S407 WeakPolarHBondContact OG-CB 3.47Å; S390-S407 PolarHBondContact OG-OG 3.4Å
408I91.4Very high92.2Very high22 Ų2241.5 Ų41.511%0.11323%0.234CC..SBendtrans-114.2119.4-176.5-58.5176.7000109.4F386 E388 L389 T406 G410 V411F386-I408 HydrophobicContact CD1-CD1 4.46Å; F386-I408 HydrophobicContact CD2-CD1 4.34Å; F386-I408 HydrophobicContact CE1-CD1 3.63Å; F386-I408 HydrophobicContact CE2-CD1 3.5Å; F386-I408 VanDerWaalsContact CE2-CD1 3.5Å; F386-I408 HydrophobicContact CZ-CD1 3.08Å; F386-I408 HydrophobicContact CZ-CG1 4.43Å; F386-I408 HydrophobicContact CZ-CG2 4.48Å; E388-I408 HydrophobicContact CB-CD1 3.91Å; L389-I408 HydrophobicContact CB-CD1 4.09Å; L389-I408 HydrophobicContact CD1-CD1 4.22Å; L389-I408 HydrophobicContact CD1-CG1 4.48Å; T406-I408 PolarHBondContact O-N 3.29Å; T406-I408 PolarHBondContact OG1-N 3.41Å; T406-I408 VanDerWaalsContact OG1-N 3.16Å; T406-I408 PolarHBondContact OG1-O 3.37Å; I408-G410 PolarHBondContact O-N 3.13Å; I408-V411 HydrophobicContact CB-CB 4.12Å; I408-V411 HydrophobicContact CB-CG2 4.12Å; I408-V411 HydrophobicContact CG2-CB 4.25Å; I408-V411 HydrophobicContact CG2-CG2 3.72Å; I408-V411 PolarHBondContact O-N 2.91Å
409P87.2Confident91.9Very high98 Ų9841.2 Ų41.264%0.63624%0.235SC*.THydrogen-bonded Turntrans-55135.8177-26.435.1000112.6V411P409-V411 PolarHBondContact O-N 3.08Å
410G91Very high91.3Very high9 Ų941 Ų419%0.09323%0.234CC..THydrogen-bonded Turntrans78.1-6.1-177.500000114.8A229 C230 I408 Y441A229-G410 CarbonylContact C-O 3.57Å; A229-G410 VanDerWaalsContact CA-O 3.31Å; A229-G410 WeakPolarHBondContact CA-O 3.45Å; C230-G410 PolarHBondContact N-O 2.88Å; I408-G410 PolarHBondContact O-N 3.13Å; G410-Y441 WeakPolarHBondContact CA-OH 3.22Å; G410-Y441 VanDerWaalsContact N-CZ 3.32Å; G410-Y441 PolarHBondContact N-OH 3.32Å
411V96.1Very high90.5Very high2 Ų240.5 Ų40.51%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-107120.8173.4-1750000109.6M220 I224 C230 L232 F386 T406 I408 P409M220-V411 HydrophobicContact CE-CG1 4.28Å; M220-V411 HydrophobicContact CE-CG2 4.18Å; I224-V411 HydrophobicContact CD1-CG2 3.97Å; I224-V411 HydrophobicContact CG1-CG2 4.24Å; C230-V411 HydrophobicContact CB-CG2 4.39Å; L232-V411 HydrophobicContact CD1-CG1 3.71Å; L232-V411 HydrophobicContact CG-CG1 3.9Å; F386-V411 HydrophobicContact CE1-CG1 4.45Å; T406-V411 WeakPolarHBondContact CB-O 3.37Å; T406-V411 HydrophobicContact CG2-CG1 4.39Å; T406-V411 WeakPolarHBondContact CG2-O 3.25Å; T406-V411 PolarHBondContact N-O 3.13Å; T406-V411 PolarHBondContact OG1-O 3.2Å; I408-V411 HydrophobicContact CB-CB 4.12Å; I408-V411 HydrophobicContact CB-CG2 4.12Å; I408-V411 HydrophobicContact CG2-CB 4.25Å; I408-V411 HydrophobicContact CG2-CG2 3.72Å; I408-V411 PolarHBondContact O-N 2.91Å; P409-V411 PolarHBondContact O-N 3.08Å
412F98Very high90Very high11 Ų1134.8 Ų34.85%0.04822%0.221CC..EExtended strand (participates in β ladder)trans-113152.6178.3-62.6-98.4000109.3C230 Y231 L232 C404 A405 E437 I438 Y441C230-F412 PolarHBondContact O-N 3Å; Y231-F412 CarbonylContact C-O 3.56Å; Y231-F412 WeakPolarHBondContact CA-O 3.41Å; Y231-F412 HydrophobicContact CD2-CB 3.88Å; L232-F412 PolarHBondContact N-O 2.83Å; C404-F412 HydrophobicContact CB-CD1 4.49Å; C404-F412 CarbonylContact O-C 3.41Å; C404-F412 WeakPolarHBondContact O-CA 3.27Å; C404-F412 WeakPolarHBondContact O-CB 3.46Å; A405-F412 HydrophobicContact CB-CD1 4.32Å; A405-F412 HydrophobicContact CB-CE1 4.19Å; F412-E437 HydrophobicContact CD1-CB 4.42Å; F412-E437 HydrophobicContact CE1-CB 3.92Å; F412-I438 HydrophobicContact CB-CD1 4.31Å; F412-I438 HydrophobicContact CB-CG1 4.36Å; F412-I438 HydrophobicContact CD1-CG1 4.35Å; F412-I438 HydrophobicContact CD2-CD1 4.1Å; F412-I438 HydrophobicContact CD2-CG1 3.41Å; F412-I438 VanDerWaalsContact CD2-CG1 3.41Å; F412-I438 HydrophobicContact CE2-CG1 3.69Å; F412-I438 HydrophobicContact CG-CD1 4.28Å; F412-I438 HydrophobicContact CG-CG1 3.79Å; F412-I438 HydrophobicContact CZ-CG1 4.27Å; F412-Y441 HydrophobicContact CE2-CD1 4.29Å; F412-Y441 HydrophobicContact CE2-CG 4.14Å; F412-Y441 HydrophobicContact CZ-CD2 4.29Å; F412-Y441 AromaticContact CZ-CG 3.98Å; F412-Y441 HydrophobicContact CZ-CG 3.98Å
413A97Very high90.1Very high1 Ų128.6 Ų28.61%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-141.4147.6176.100000111.1L232 I397 A399 C404 T406 V418L232-A413 HydrophobicContact CB-CB 3.99Å; L232-A413 VanDerWaalsContact O-CA 3.32Å; L232-A413 WeakPolarHBondContact O-CA 3.34Å; I397-A413 HydrophobicContact CB-CB 4.22Å; I397-A413 HydrophobicContact CD1-CB 3.95Å; I397-A413 HydrophobicContact CG2-CB 3.74Å; A399-A413 HydrophobicContact CB-CB 4.16Å; C404-A413 VanDerWaalsContact CB-O 3.32Å; C404-A413 WeakPolarHBondContact CB-O 3.48Å; C404-A413 PolarHBondContact O-N 3.34Å; T406-A413 HydrophobicContact CG2-CB 3.63Å; A413-V418 HydrophobicContact CB-CG2 3.82Å
414G94.9Very high90.1Very high3 Ų327.5 Ų27.53%0.03119%0.188CC..  trans-167.3172.7179.800000114.3Y231 L232Y231-G414 WeakPolarHBondContact OH-CA 3.48Å; L232-G414 PolarHBondContact O-N 2.71Å; L232-G414 VanDerWaalsContact O-N 3.14Å
415G92.8Very high89.9Confident3 Ų327.4 Ų27.43%0.03119%0.187CC..THydrogen-bonded Turntrans73.8-154.4-168.900000112.3I417 V418 T419G415-I417 PolarHBondContact O-N 2.8Å; G415-V418 PolarHBondContact O-N 3.46Å; G415-T419 PolarHBondContact O-N 2.62Å; G415-T419 VanDerWaalsContact O-N 3.14Å; G415-T419 PolarHBondContact O-OG1 3.08Å
416D91.8Very high89.8Confident35 Ų3529.8 Ų29.819%0.18720%0.195CC..Hα-helixtrans-62.7-20.5-168-67.928.4000114.7A236 V418 G420 A422A236-D416 HydrophobicContact CB-CB 4.03Å; D416-V418 PolarHBondContact O-N 3.41Å; D416-G420 VanDerWaalsContact CA-O 3.29Å; D416-G420 WeakPolarHBondContact CA-O 3.47Å; D416-G420 WeakPolarHBondContact CB-O 3.47Å; D416-G420 WeakPolarHBondContact O-CA 3.39Å; D416-G420 PolarHBondContact O-N 2.85Å; D416-A422 PolarHBondContact OD2-N 3.34Å
417I92.6Very high89.7Confident0 Ų029 Ų290%019%0.191CC..Hα-helixtrans-70.4-15.8175.2-168.357.3000112.8V234 G235 A378 L383 Y396 I397 G415V234-I417 HydrophobicContact CG2-CB 4.12Å; V234-I417 HydrophobicContact CG2-CD1 3.88Å; V234-I417 HydrophobicContact CG2-CG1 3.66Å; G235-I417 WeakPolarHBondContact O-CD1 3.29Å; A378-I417 HydrophobicContact CB-CD1 3.68Å; L383-I417 HydrophobicContact CD1-CD1 4.29Å; Y396-I417 WeakPolarHBondContact CA-O 3.17Å; Y396-I417 WeakPolarHBondContact CB-O 3.5Å; I397-I417 HydrophobicContact CD1-CG1 3.53Å; I397-I417 HydrophobicContact CD1-CG2 4.19Å; I397-I417 HydrophobicContact CG1-CD1 4.5Å; I397-I417 HydrophobicContact CG1-CG1 3.81Å; I397-I417 PolarHBondContact N-O 3.31Å; G415-I417 PolarHBondContact O-N 2.8Å
418V92.3Very high89.9Confident18 Ų1826.4 Ų26.411%0.10917%0.172CC..Hα-helixtrans-105.4-52.4176.21780000110.5I397 A399 A413 G415 D416I397-V418 HydrophobicContact CB-CG2 4.48Å; A399-V418 HydrophobicContact CB-CG1 4.09Å; A399-V418 HydrophobicContact CB-CG2 3.85Å; A413-V418 HydrophobicContact CB-CG2 3.82Å; G415-V418 PolarHBondContact O-N 3.46Å; D416-V418 PolarHBondContact O-N 3.41Å
419T87.1Confident90Very high85 Ų8525.6 Ų25.652%0.52117%0.169SC..Hα-helixtrans-89.9-10.4-172.456.10000114.1G415G415-T419 PolarHBondContact O-N 2.62Å; G415-T419 VanDerWaalsContact O-N 3.14Å; G415-T419 PolarHBondContact O-OG1 3.08Å
420G81.7Confident90.4Very high4 Ų421.9 Ų21.94%0.04115%0.147CC..  trans77.1-172.5-166.500000112.3D416 A422D416-G420 VanDerWaalsContact CA-O 3.29Å; D416-G420 WeakPolarHBondContact CA-O 3.47Å; D416-G420 WeakPolarHBondContact CB-O 3.47Å; D416-G420 WeakPolarHBondContact O-CA 3.39Å; D416-G420 PolarHBondContact O-N 2.85Å; G420-A422 PolarHBondContact O-N 3.15Å
421A71Confident90.6Very high72 Ų7221.4 Ų21.460%0.59514%0.142SC*.SBendtrans-55.3113.2-175.200000112.2
422A75.4Confident90.5Very high39 Ų3922.6 Ų22.632%0.32215%0.147SC..  trans-130-178.2-175.800000111.7D416 G420 L426D416-A422 PolarHBondContact OD2-N 3.34Å; G420-A422 PolarHBondContact O-N 3.15Å; A422-L426 HydrophobicContact CB-CB 4.37Å; A422-L426 HydrophobicContact CB-CD1 4.31Å
423T86.6Confident90.4Very high39 Ų3925 Ų2524%0.23916%0.16CC..  trans-85.614817661.60000110.5P94 I425 L426 A427P94-T423 HydrophobicContact CG-CG2 3.92Å; T423-I425 PolarHBondContact O-N 2.74Å; T423-L426 WeakPolarHBondContact O-CB 3.28Å; T423-L426 PolarHBondContact O-N 2.84Å; T423-L426 WeakPolarHBondContact OG1-CD1 3.27Å; T423-L426 WeakPolarHBondContact OG1-CG 3.47Å; T423-A427 PolarHBondContact O-N 2.93Å
424V90.7Very high90.4Very high19 Ų1925 Ų2512%0.11516%0.159CC..Hα-helixtrans-43.3-46.5179.3171.20000113.2I88 V92 P151 L180 I184 L426 A427 M428I88-V424 HydrophobicContact CG2-CG1 4.11Å; V92-V424 HydrophobicContact CG2-CB 3.88Å; V92-V424 HydrophobicContact CG2-CG1 3.95Å; V92-V424 HydrophobicContact CG2-CG2 3.86Å; P151-V424 HydrophobicContact CB-CG1 3.82Å; P151-V424 HydrophobicContact CG-CB 4.48Å; P151-V424 HydrophobicContact CG-CG1 3.88Å; P151-V424 HydrophobicContact CG-CG2 4.36Å; L180-V424 HydrophobicContact CD2-CG1 4.05Å; L180-V424 HydrophobicContact CD2-CG2 4.03Å; I184-V424 HydrophobicContact CD1-CG2 4.1Å; V424-L426 PolarHBondContact O-N 3.02Å; V424-A427 WeakPolarHBondContact O-CB 3.44Å; V424-A427 PolarHBondContact O-N 3.14Å; V424-M428 HydrophobicContact CG1-SD 4.16Å; V424-M428 WeakPolarHBondContact O-CG 3.28Å; V424-M428 PolarHBondContact O-N 3.49Å
425I91.3Very high90.4Very high2 Ų224.8 Ų24.81%0.0116%0.158CC..Hα-helixtrans-69.3-28.5-177.8-17263.8000114.5P55 V56 T423 M428 G429P55-I425 HydrophobicContact CB-CG1 4.2Å; P55-I425 HydrophobicContact CG-CG1 3.96Å; P55-I425 HydrophobicContact CG-CG2 4.41Å; V56-I425 HydrophobicContact CB-CD1 4.44Å; V56-I425 HydrophobicContact CG1-CD1 3.82Å; V56-I425 HydrophobicContact CG2-CD1 3.83Å; T423-I425 PolarHBondContact O-N 2.74Å; I425-M428 HydrophobicContact CD1-SD 4.32Å; I425-M428 PolarHBondContact O-N 3.17Å; I425-G429 PolarHBondContact O-N 3.34Å
426L91.3Very high90.5Very high87 Ų8728.9 Ų28.946%0.45518%0.179SC..Hα-helixtrans-70.7-38.8172.5-71172.4000110.3P55 A422 T423 V424 M428 G429 A430P55-L426 HydrophobicContact CB-CD2 4.25Å; P55-L426 HydrophobicContact CG-CD2 3.85Å; A422-L426 HydrophobicContact CB-CB 4.37Å; A422-L426 HydrophobicContact CB-CD1 4.31Å; T423-L426 WeakPolarHBondContact O-CB 3.28Å; T423-L426 PolarHBondContact O-N 2.84Å; T423-L426 WeakPolarHBondContact OG1-CD1 3.27Å; T423-L426 WeakPolarHBondContact OG1-CG 3.47Å; V424-L426 PolarHBondContact O-N 3.02Å; L426-M428 VanDerWaalsContact C-N 3.32Å; L426-M428 PolarHBondContact O-N 3.04Å; L426-G429 PolarHBondContact O-N 2.83Å; L426-A430 PolarHBondContact O-N 3.17Å
427A93.7Very high90.7Very high5 Ų529.6 Ų29.64%0.04118%0.181CC..Hα-helixtrans-62.7-39.9173.200000111.4P151 S152 T423 V424 A430 G431P151-A427 HydrophobicContact CB-CB 4.46Å; S152-A427 VanDerWaalsContact CA-O 3.32Å; S152-A427 WeakPolarHBondContact CA-O 3.4Å; S152-A427 WeakPolarHBondContact CB-O 3.11Å; S152-A427 PolarHBondContact OG-O 3.34Å; T423-A427 PolarHBondContact O-N 2.93Å; V424-A427 WeakPolarHBondContact O-CB 3.44Å; V424-A427 PolarHBondContact O-N 3.14Å; A427-A430 PolarHBondContact O-N 3.12Å; A427-G431 PolarHBondContact O-N 2.86Å
428M94.6Very high90.8Very high0 Ų029.6 Ų29.60%018%0.181CC..Hα-helixtrans-65.3-38.5172.3-62.7176.661.200112.5V56 T83 L85 C89 P151 T155 V424 I425 L426 G431 K432V56-M428 HydrophobicContact CG1-CB 3.71Å; T83-M428 WeakPolarHBondContact OG1-CE 3.48Å; L85-M428 HydrophobicContact CB-CE 3.81Å; L85-M428 HydrophobicContact CB-SD 4.3Å; L85-M428 HydrophobicContact CD1-CE 4.1Å; L85-M428 HydrophobicContact CD1-CG 4.41Å; L85-M428 HydrophobicContact CD1-SD 4.07Å; L85-M428 HydrophobicContact CG-CE 4.23Å; C89-M428 VanDerWaalsContact SG-CE 3.55Å; C89-M428 PolarHBondContact SG-SD 3.01Å; P151-M428 HydrophobicContact CB-CG 3.93Å; T155-M428 HydrophobicContact CG2-CB 4.35Å; T155-M428 WeakPolarHBondContact OG1-CG 3.49Å; V424-M428 HydrophobicContact CG1-SD 4.16Å; V424-M428 WeakPolarHBondContact O-CG 3.28Å; V424-M428 PolarHBondContact O-N 3.49Å; I425-M428 HydrophobicContact CD1-SD 4.32Å; I425-M428 PolarHBondContact O-N 3.17Å; L426-M428 VanDerWaalsContact C-N 3.32Å; L426-M428 PolarHBondContact O-N 3.04Å; M428-G431 WeakPolarHBondContact O-CA 3.43Å; M428-G431 PolarHBondContact O-N 3.4Å; M428-G431 VanDerWaalsContact O-N 3.08Å; M428-K432 PolarHBondContact O-N 3.31Å
429G93.3Very high90.9Very high6 Ų629.8 Ų29.86%0.06218%0.182CC..Hα-helixtrans-58.9-46.1173.800000112.5I425 L426 G431 K432 I433I425-G429 PolarHBondContact O-N 3.34Å; L426-G429 PolarHBondContact O-N 2.83Å; G429-G431 PolarHBondContact O-N 2.85Å; G429-K432 WeakPolarHBondContact O-CB 3.21Å; G429-K432 PolarHBondContact O-N 2.84Å; G429-I433 PolarHBondContact O-N 3.02Å; G429-I433 VanDerWaalsContact O-N 3.16Å
430A94.7Very high91Very high19 Ų1929.5 Ų29.516%0.15718%0.175CC..Hα-helixtrans-59.8-38.117200000111.8C404 L426 A427 K432 I433 A434C404-A430 PolarHBondContact SG-O 3.45Å; L426-A430 PolarHBondContact O-N 3.17Å; A427-A430 PolarHBondContact O-N 3.12Å; A430-K432 VanDerWaalsContact C-N 3.34Å; A430-K432 PolarHBondContact O-N 2.91Å; A430-I433 PolarHBondContact O-N 3.5Å; A430-A434 WeakPolarHBondContact O-CB 3.48Å; A430-A434 PolarHBondContact O-N 3.47Å
431G95.7Very high91.3Very high0 Ų032.5 Ų32.50%019%0.185CC..Hα-helixtrans-64.3-35.3177.100000113.9T156 A427 M428 G429 A435T156-G431 WeakPolarHBondContact OG1-CA 3.48Å; T156-G431 PolarHBondContact OG1-O 2.92Å; A427-G431 PolarHBondContact O-N 2.86Å; M428-G431 WeakPolarHBondContact O-CA 3.43Å; M428-G431 PolarHBondContact O-N 3.4Å; M428-G431 VanDerWaalsContact O-N 3.08Å; G429-G431 PolarHBondContact O-N 2.85Å; G431-A435 PolarHBondContact O-N 3.01Å
432K94.6Very high92Very high27 Ų2729.3 Ų29.312%0.11716%0.158CC..Hα-helixtrans-65.4-45.8173.8-74.7-83.7160.4-171.50112.3V56 Y82 T155 D159 M428 G429 A430 A435 N436V56-K432 HydrophobicContact CB-CG 4.15Å; V56-K432 HydrophobicContact CG1-CG 4.07Å; Y82-K432 WeakPolarHBondContact O-CE 3.49Å; Y82-K432 PolarHBondContact O-NZ 3.49Å; T155-K432 HydrophobicContact CG2-CD 4.45Å; T155-K432 HydrophobicContact CG2-CG 4.04Å; D159-K432 IonicContact OD1-NZ 3.64Å; D159-K432 PolarHBondContact OD1-NZ 3.05Å; D159-K432 WeakPolarHBondContact OD2-CD 3.29Å; D159-K432 WeakPolarHBondContact OD2-CE 3.43Å; D159-K432 IonicContact OD2-NZ 2.79Å; D159-K432 PolarHBondContact OD2-NZ 3.13Å; M428-K432 PolarHBondContact O-N 3.31Å; G429-K432 WeakPolarHBondContact O-CB 3.21Å; G429-K432 PolarHBondContact O-N 2.84Å; A430-K432 VanDerWaalsContact C-N 3.34Å; A430-K432 PolarHBondContact O-N 2.91Å; K432-A435 PolarHBondContact O-N 3.46Å; K432-N436 PolarHBondContact O-N 3.23Å; K432-N436 PolarHBondContact O-ND2 2.91Å
433I94.8Very high92.2Very high61 Ų6131.6 Ų31.631%0.31316%0.162SC..Hα-helixtrans-60.2-51.1177.1-66.2168.7000108.8E402 G429 A430 A435 N436 E437E402-I433 WeakPolarHBondContact O-CG2 3.43Å; G429-I433 PolarHBondContact O-N 3.02Å; G429-I433 VanDerWaalsContact O-N 3.16Å; A430-I433 PolarHBondContact O-N 3.5Å; I433-A435 PolarHBondContact O-N 2.86Å; I433-N436 PolarHBondContact O-N 3.43Å; I433-E437 HydrophobicContact CG2-CG 4.39Å; I433-E437 PolarHBondContact O-N 3.5Å
434A96.8Very high91.2Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-58-43.8179.700000113T156 Y231 C404 A430 N436 E437 I438T156-A434 HydrophobicContact CG2-CB 4.37Å; Y231-A434 HydrophobicContact CD2-CB 3.64Å; Y231-A434 HydrophobicContact CE2-CB 3.3Å; Y231-A434 HydrophobicContact CG-CB 4.38Å; C404-A434 HydrophobicContact CB-CB 4Å; A430-A434 WeakPolarHBondContact O-CB 3.48Å; A430-A434 PolarHBondContact O-N 3.47Å; A434-N436 VanDerWaalsContact C-N 3.34Å; A434-N436 PolarHBondContact O-N 3.25Å; A434-E437 PolarHBondContact O-N 2.87Å; A434-I438 HydrophobicContact CB-CD1 4.46Å; A434-I438 VanDerWaalsContact O-CB 3.27Å; A434-I438 WeakPolarHBondContact O-CB 3.17Å; A434-I438 WeakPolarHBondContact O-CD1 3.4Å; A434-I438 WeakPolarHBondContact O-CG1 3.44Å; A434-I438 PolarHBondContact O-N 3.36Å
435A96.5Very high89.7Confident0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-61-41.5178.700000112.8T156 D159 L160 G431 K432 I433 D439T156-A435 HydrophobicContact CG2-CB 4.25Å; D159-A435 HydrophobicContact CB-CB 3.68Å; L160-A435 HydrophobicContact CD2-CB 4.28Å; L160-A435 WeakPolarHBondContact CD2-O 3.33Å; L160-A435 HydrophobicContact CG-CB 4.08Å; G431-A435 PolarHBondContact O-N 3.01Å; K432-A435 PolarHBondContact O-N 3.46Å; I433-A435 PolarHBondContact O-N 2.86Å; A435-D439 WeakPolarHBondContact O-CB 3.36Å; A435-D439 PolarHBondContact O-N 2.79Å; A435-D439 VanDerWaalsContact O-N 3.08Å
436N94.1Very high88Confident89 Ų8941.8 Ų41.848%0.47621%0.206SC..Hα-helixtrans-69.8-38.9178.2-71.3-34.7000112.3K432 I433 A434 D439 Q440K432-N436 PolarHBondContact O-N 3.23Å; K432-N436 PolarHBondContact O-ND2 2.91Å; I433-N436 PolarHBondContact O-N 3.43Å; A434-N436 VanDerWaalsContact C-N 3.34Å; A434-N436 PolarHBondContact O-N 3.25Å; N436-D439 PolarHBondContact O-N 2.94Å; N436-Q440 WeakPolarHBondContact O-CG 3.27Å; N436-Q440 PolarHBondContact O-N 2.74Å; N436-Q440 VanDerWaalsContact O-N 3.09Å; N436-Q440 PolarHBondContact O-NE2 2.86Å
437E94.9Very high85.7Confident49 Ų4944.5 Ų44.523%0.22922%0.216CC..Hα-helixtrans-74.1-37.4179.4-69.8-55.7126.900112.3T403 F412 I433 A434 D439 Q440 Y441T403-E437 WeakPolarHBondContact O-CB 3.43Å; T403-E437 WeakPolarHBondContact O-CG 3.48Å; F412-E437 HydrophobicContact CD1-CB 4.42Å; F412-E437 HydrophobicContact CE1-CB 3.92Å; I433-E437 HydrophobicContact CG2-CG 4.39Å; I433-E437 PolarHBondContact O-N 3.5Å; A434-E437 PolarHBondContact O-N 2.87Å; E437-D439 VanDerWaalsContact C-N 3.34Å; E437-D439 PolarHBondContact O-N 3.27Å; E437-Q440 PolarHBondContact O-N 2.99Å; E437-Q440 PolarHBondContact OE1-NE2 2.99Å; E437-Y441 VanDerWaalsContact O-CB 3.28Å; E437-Y441 WeakPolarHBondContact O-CB 3.38Å; E437-Y441 PolarHBondContact O-N 3.37Å
438I96.3Very high83.2Confident0 Ų053.7 Ų53.70%026%0.258CS..Hα-helixtrans-61.3-43.6171-71.4164.5000110.5V144 T156 L160 A229 Y231 F412 A434 Q440 Y441 I442V144-I438 HydrophobicContact CG1-CD1 4.48Å; V144-I438 HydrophobicContact CG1-CG2 4.27Å; V144-I438 HydrophobicContact CG2-CG2 3.89Å; T156-I438 HydrophobicContact CG2-CD1 4.24Å; L160-I438 HydrophobicContact CD1-CD1 4.23Å; L160-I438 HydrophobicContact CD1-CG2 4.17Å; L160-I438 HydrophobicContact CD2-CB 4.18Å; L160-I438 HydrophobicContact CD2-CG2 3.86Å; A229-I438 HydrophobicContact CB-CG2 3.86Å; Y231-I438 HydrophobicContact CG-CD1 4.49Å; F412-I438 HydrophobicContact CB-CD1 4.31Å; F412-I438 HydrophobicContact CB-CG1 4.36Å; F412-I438 HydrophobicContact CD1-CG1 4.35Å; F412-I438 HydrophobicContact CD2-CD1 4.1Å; F412-I438 HydrophobicContact CD2-CG1 3.41Å; F412-I438 VanDerWaalsContact CD2-CG1 3.41Å; F412-I438 HydrophobicContact CE2-CG1 3.69Å; F412-I438 HydrophobicContact CG-CD1 4.28Å; F412-I438 HydrophobicContact CG-CG1 3.79Å; F412-I438 HydrophobicContact CZ-CG1 4.27Å; A434-I438 HydrophobicContact CB-CD1 4.46Å; A434-I438 VanDerWaalsContact O-CB 3.27Å; A434-I438 WeakPolarHBondContact O-CB 3.17Å; A434-I438 WeakPolarHBondContact O-CD1 3.4Å; A434-I438 WeakPolarHBondContact O-CG1 3.44Å; A434-I438 PolarHBondContact O-N 3.36Å; I438-Q440 VanDerWaalsContact C-N 3.33Å; I438-Q440 PolarHBondContact O-N 3.28Å; I438-Y441 PolarHBondContact O-N 3.37Å; I438-I442 HydrophobicContact CG2-CD1 3.71Å; I438-I442 HydrophobicContact CG2-CG1 4.37Å; I438-I442 WeakPolarHBondContact O-CG1 3.16Å; I438-I442 PolarHBondContact O-N 3.14Å
439D94Very high81.1Confident22 Ų2256.7 Ų56.712%0.11827%0.272CS..Hα-helixtrans-62-41.3177.2-175.347.1000111.9K141 L163 Y165 A435 N436 E437 Q443K141-D439 IonicContact NZ-OD1 2.82Å; K141-D439 PolarHBondContact NZ-OD1 3.01Å; K141-D439 IonicContact NZ-OD2 3.21Å; L163-D439 HydrophobicContact CD1-CB 3.89Å; Y165-D439 HydrophobicContact CE2-CB 4.09Å; Y165-D439 WeakPolarHBondContact CE2-OD1 3.23Å; Y165-D439 WeakPolarHBondContact OH-CA 3.46Å; Y165-D439 PolarHBondContact OH-O 3.31Å; Y165-D439 PolarHBondContact OH-OD1 3.35Å; A435-D439 WeakPolarHBondContact O-CB 3.36Å; A435-D439 PolarHBondContact O-N 2.79Å; A435-D439 VanDerWaalsContact O-N 3.08Å; N436-D439 PolarHBondContact O-N 2.94Å; E437-D439 VanDerWaalsContact C-N 3.34Å; E437-D439 PolarHBondContact O-N 3.27Å; D439-Q443 VanDerWaalsContact O-CB 3.3Å; D439-Q443 WeakPolarHBondContact O-CB 3.48Å; D439-Q443 WeakPolarHBondContact O-CG 3.28Å; D439-Q443 PolarHBondContact O-N 3.37Å; D439-Q443 VanDerWaalsContact O-N 3.12Å; D439-Q443 PolarHBondContact OD1-NE2 3.36Å; D439-Q443 PolarHBondContact OD2-NE2 2.97Å
440Q88Confident79.4Confident80 Ų8060.1 Ų60.137%0.37429%0.289SS..Hα-helixtrans-66.8-42.9174.7-74.1177.763.600112.3N436 E437 I438 Q443 K444N436-Q440 WeakPolarHBondContact O-CG 3.27Å; N436-Q440 PolarHBondContact O-N 2.74Å; N436-Q440 VanDerWaalsContact O-N 3.09Å; N436-Q440 PolarHBondContact O-NE2 2.86Å; E437-Q440 PolarHBondContact O-N 2.99Å; E437-Q440 PolarHBondContact OE1-NE2 2.99Å; I438-Q440 VanDerWaalsContact C-N 3.33Å; I438-Q440 PolarHBondContact O-N 3.28Å; Q440-Q443 PolarHBondContact O-N 3.45Å; Q440-K444 WeakPolarHBondContact O-CB 3.49Å; Q440-K444 VanDerWaalsContact O-CG 3.25Å; Q440-K444 WeakPolarHBondContact O-CG 3.43Å; Q440-K444 PolarHBondContact O-N 3.03Å
441Y88.5Confident78Confident66 Ų6665.9 Ų65.926%0.25931%0.306SS..Hα-helixtrans-61.2-50.4179.8176.7-94.8000111.4A229 G410 F412 E437 I438 Q443 K444 T445A229-Y441 HydrophobicContact CB-CD1 4.42Å; G410-Y441 WeakPolarHBondContact CA-OH 3.22Å; G410-Y441 VanDerWaalsContact N-CZ 3.32Å; G410-Y441 PolarHBondContact N-OH 3.32Å; F412-Y441 HydrophobicContact CE2-CD1 4.29Å; F412-Y441 HydrophobicContact CE2-CG 4.14Å; F412-Y441 HydrophobicContact CZ-CD2 4.29Å; F412-Y441 AromaticContact CZ-CG 3.98Å; F412-Y441 HydrophobicContact CZ-CG 3.98Å; E437-Y441 VanDerWaalsContact O-CB 3.28Å; E437-Y441 WeakPolarHBondContact O-CB 3.38Å; E437-Y441 PolarHBondContact O-N 3.37Å; I438-Y441 PolarHBondContact O-N 3.37Å; Y441-Q443 PolarHBondContact O-N 2.99Å; Y441-K444 PolarHBondContact O-N 3.38Å; Y441-T445 WeakPolarHBondContact O-CB 3.06Å; Y441-T445 PolarHBondContact O-N 3.21Å; Y441-T445 PolarHBondContact O-OG1 3.33Å
442I86.7Confident76.6Confident5 Ų567.2 Ų67.23%0.02632%0.318CS..Hα-helixtrans-66.9-38.9-179.5-62.6170.3000110.9V144 Y165 D228 A229 I438 K446V144-I442 HydrophobicContact CG2-CD1 3.6Å; Y165-I442 HydrophobicContact CD1-CD1 3.97Å; Y165-I442 HydrophobicContact CE1-CB 4.08Å; Y165-I442 HydrophobicContact CE1-CD1 3.4Å; Y165-I442 VanDerWaalsContact CE1-CD1 3.4Å; Y165-I442 HydrophobicContact CE1-CG1 4.34Å; Y165-I442 HydrophobicContact CE1-CG2 3.94Å; D228-I442 HydrophobicContact CB-CD1 3.94Å; D228-I442 HydrophobicContact CB-CG1 4.08Å; D228-I442 HydrophobicContact CB-CG2 4.31Å; A229-I442 HydrophobicContact CB-CD1 3.9Å; A229-I442 HydrophobicContact CB-CG1 4.09Å; I438-I442 HydrophobicContact CG2-CD1 3.71Å; I438-I442 HydrophobicContact CG2-CG1 4.37Å; I438-I442 WeakPolarHBondContact O-CG1 3.16Å; I438-I442 PolarHBondContact O-N 3.14Å; I442-K446 HydrophobicContact CG2-CD 4.49Å; I442-K446 WeakPolarHBondContact O-CG 3.43Å; I442-K446 PolarHBondContact O-N 2.85Å; I442-K446 VanDerWaalsContact O-N 3.14Å
443Q79.1Confident75.1Confident88 Ų8869.4 Ų69.441%0.41133%0.328SS..Hα-helixtrans-64.7-40.9176.2-75.9-175.262.100112.5D439 Q440 Y441 K446 Q447D439-Q443 VanDerWaalsContact O-CB 3.3Å; D439-Q443 WeakPolarHBondContact O-CB 3.48Å; D439-Q443 WeakPolarHBondContact O-CG 3.28Å; D439-Q443 PolarHBondContact O-N 3.37Å; D439-Q443 VanDerWaalsContact O-N 3.12Å; D439-Q443 PolarHBondContact OD1-NE2 3.36Å; D439-Q443 PolarHBondContact OD2-NE2 2.97Å; Q440-Q443 PolarHBondContact O-N 3.45Å; Y441-Q443 PolarHBondContact O-N 2.99Å; Q443-K446 PolarHBondContact O-N 3.14Å; Q443-Q447 PolarHBondContact O-N 3.3Å
444K65.4Low73.9Confident99 Ų9972.6 Ų72.643%0.4334%0.342SS..Hα-helixtrans-66.7-43.9175.9-74.6173.8-175.21690112.3Q440 Y441 K446 Q447 E453Q440-K444 WeakPolarHBondContact O-CB 3.49Å; Q440-K444 VanDerWaalsContact O-CG 3.25Å; Q440-K444 WeakPolarHBondContact O-CG 3.43Å; Q440-K444 PolarHBondContact O-N 3.03Å; Y441-K444 PolarHBondContact O-N 3.38Å; K444-K446 PolarHBondContact O-N 2.89Å; K444-Q447 CarbonylContact O-C 3.59Å; K444-Q447 PolarHBondContact O-N 3.2Å; K444-E453 WeakPolarHBondContact CB-OE1 3.48Å
445T59.8Low72.7Confident51 Ų5174 Ų7431%0.31336%0.356SS..Hα-helixtrans-61.9-28.2178-44.50000111.8Y441 Q447 E453Y441-T445 WeakPolarHBondContact O-CB 3.06Å; Y441-T445 PolarHBondContact O-N 3.21Å; Y441-T445 PolarHBondContact O-OG1 3.33Å; T445-Q447 VanDerWaalsContact C-N 3.32Å; T445-E453 WeakPolarHBondContact CA-OE2 3.46Å
446K55.4Low71.8Confident124 Ų12479 Ų7954%0.53938%0.376SS..THydrogen-bonded Turntrans-76.9-11.8173.2-76-176.8177.5-179.70114.4K141 I442 Q443 K444K141-K446 VanDerWaalsContact C-NZ 3.35Å; K141-K446 PolarHBondContact O-NZ 3.37Å; I442-K446 HydrophobicContact CG2-CD 4.49Å; I442-K446 WeakPolarHBondContact O-CG 3.43Å; I442-K446 PolarHBondContact O-N 2.85Å; I442-K446 VanDerWaalsContact O-N 3.14Å; Q443-K446 PolarHBondContact O-N 3.14Å; K444-K446 PolarHBondContact O-N 2.89Å
447Q43.2Very low71.2Confident143 Ų14379.6 Ų79.667%0.66837%0.374SS*.THydrogen-bonded Turntrans-125.690.5-169.6-145.1164.4-300111.2Q443 K444 T445 Q449Q443-Q447 PolarHBondContact O-N 3.3Å; K444-Q447 CarbonylContact O-C 3.59Å; K444-Q447 PolarHBondContact O-N 3.2Å; T445-Q447 VanDerWaalsContact C-N 3.32Å; Q447-Q449 PolarHBondContact O-N 3.1Å
448E39.8Very low70.8Confident199 Ų19979.2 Ų79.293%0.9337%0.373SS*.THydrogen-bonded Turntrans33.330160.9-68.4178.7166.600120.2
449Q52.4Low70.4Confident62 Ų6280.8 Ų80.829%0.2938%0.381SS..  trans-109.212.4166.8-66.8-173.82.500113.1Q447 W451 A452 E453 V466Q447-Q449 PolarHBondContact O-N 3.1Å; Q449-W451 PolarHBondContact O-N 3.15Å; Q449-A452 PolarHBondContact O-N 3.44Å; Q449-E453 HydrophobicContact CB-CG 4.31Å; Q449-E453 PolarHBondContact O-N 3.45Å; Q449-E453 VanDerWaalsContact O-N 3.15Å; Q449-V466 HydrophobicContact CG-CG1 4.45Å
450L57.2Low70.1Confident79 Ų7982 Ų8241%0.41439%0.386SS..Hα-helixtrans-45.5-43.1-170.8-145.597.4000113.7Q454L450-Q454 WeakPolarHBondContact O-CB 3.39Å; L450-Q454 WeakPolarHBondContact O-CG 3.33Å; L450-Q454 PolarHBondContact O-N 2.95Å
451W65Low70.1Confident139 Ų13984.2 Ų84.253%0.52740%0.4SS..Hα-helixtrans-74.7-37.2-175.9-67.3-3.6000113.7Q449 G455 R456Q449-W451 PolarHBondContact O-N 3.15Å; W451-G455 PolarHBondContact O-N 2.89Å; W451-R456 HydrophobicContact CB-CB 4.13Å; W451-R456 VanDerWaalsContact O-CB 3.23Å; W451-R456 WeakPolarHBondContact O-CB 3.29Å; W451-R456 PolarHBondContact O-N 3.48Å
452A65.2Low70Confident29 Ų2986.4 Ų86.424%0.2441%0.413CS..Hα-helixtrans-69.7-40.7177.100000110.4Q449 G455 T463 V466Q449-A452 PolarHBondContact O-N 3.44Å; A452-G455 PolarHBondContact O-N 3.2Å; A452-G455 VanDerWaalsContact O-N 3.08Å; A452-T463 WeakPolarHBondContact O-CG2 3.48Å; A452-V466 HydrophobicContact CB-CG2 4.35Å
453E64.2Low69.9Low72 Ų7288.8 Ų88.834%0.33643%0.427SS..Hα-helixtrans-67.4-39.7176.3-67.2175.6161.200112.3K444 T445 Q449 G455K444-E453 WeakPolarHBondContact CB-OE1 3.48Å; T445-E453 WeakPolarHBondContact CA-OE2 3.46Å; Q449-E453 HydrophobicContact CB-CG 4.31Å; Q449-E453 PolarHBondContact O-N 3.45Å; Q449-E453 VanDerWaalsContact O-N 3.15Å; E453-G455 PolarHBondContact O-N 2.81Å; E453-G455 VanDerWaalsContact O-N 3.08Å
454Q68.6Low70.1Confident128 Ų12888.3 Ų88.360%0.59843%0.43SS*.THydrogen-bonded Turntrans-68.81.1170.8-73.4170.4-7.800113.3L450 R456L450-Q454 WeakPolarHBondContact O-CB 3.39Å; L450-Q454 WeakPolarHBondContact O-CG 3.33Å; L450-Q454 PolarHBondContact O-N 2.95Å; Q454-R456 PolarHBondContact O-N 3Å
455G72.6Confident71.1Confident30 Ų3092.3 Ų92.331%0.30945%0.448SS..THydrogen-bonded Turntrans67.414.618000000114.2W451 A452 E453 K457 T463W451-G455 PolarHBondContact O-N 2.89Å; A452-G455 PolarHBondContact O-N 3.2Å; A452-G455 VanDerWaalsContact O-N 3.08Å; E453-G455 PolarHBondContact O-N 2.81Å; E453-G455 VanDerWaalsContact O-N 3.08Å; G455-K457 PolarHBondContact O-N 3.08Å; G455-T463 PolarHBondContact O-OG1 3.31Å
456R77Confident72.2Confident106 Ų10693.7 Ų93.740%0.446%0.456SS..  trans-57.7129.2-178.4-171.5177.5178.6175.50.8109.8W451 Q454W451-R456 HydrophobicContact CB-CB 4.13Å; W451-R456 VanDerWaalsContact O-CB 3.23Å; W451-R456 WeakPolarHBondContact O-CB 3.29Å; W451-R456 PolarHBondContact O-N 3.48Å; Q454-R456 PolarHBondContact O-N 3Å
457K82.7Confident73.6Confident101 Ų10191.8 Ų91.844%0.43946%0.455SS..BIsolated β-bridgetrans-88.6142.3-178.9-56.1-60.8179.1-1800111G455 E462 T463G455-K457 PolarHBondContact O-N 3.08Å; K457-E462 WeakPolarHBondContact CA-O 3.44Å; K457-T463 WeakPolarHBondContact CD-OG1 3.3Å; K457-T463 WeakPolarHBondContact CE-OG1 3.43Å; K457-T463 PolarHBondContact NZ-OG1 3.31Å
458N85.9Confident75.4Confident40 Ų4093 Ų9321%0.21446%0.46CS..  trans-82.3-177.3171.166.719.4000111.5F460 N461 E462 V464N458-F460 PolarHBondContact O-N 3.3Å; N458-F460 WeakPolarHBondContact OD1-CA 3.32Å; N458-F460 VanDerWaalsContact OD1-CB 3.31Å; N458-F460 WeakPolarHBondContact OD1-CB 3.18Å; N458-F460 PolarHBondContact OD1-N 3.15Å; N458-N461 PolarHBondContact O-N 2.89Å; N458-N461 PolarHBondContact OD1-N 3.38Å; N458-E462 PolarHBondContact N-O 3.38Å; N458-E462 PolarHBondContact OD1-N 2.87Å; N458-E462 VanDerWaalsContact OD1-N 3.11Å; N458-E462 PolarHBondContact OD1-O 3Å; N458-V464 HydrophobicContact CB-CG2 4.3Å
459I87.9Confident77.5Confident34 Ų3486.8 Ų86.817%0.17443%0.432CS..THydrogen-bonded Turntrans-60.6-14.6178.564.2171000114.6Y575 L578 K579 M582I459-Y575 HydrophobicContact CG2-CD2 4.39Å; I459-Y575 HydrophobicContact CG2-CG 4.27Å; I459-Y575 WeakPolarHBondContact CG2-O 3.23Å; I459-L578 HydrophobicContact CG2-CB 4.34Å; I459-K579 HydrophobicContact CB-CB 4.23Å; I459-K579 HydrophobicContact CB-CG 4.45Å; I459-K579 HydrophobicContact CG2-CB 4.27Å; I459-M582 HydrophobicContact CD1-CE 3.7Å
460F88.7Confident78.8Confident47 Ų4792.6 Ų92.621%0.20646%0.459CS..THydrogen-bonded Turntrans-94.75.3176-47.6-62.8000112.8N458 E462 L488 M582 W584 L587N458-F460 PolarHBondContact O-N 3.3Å; N458-F460 WeakPolarHBondContact OD1-CA 3.32Å; N458-F460 VanDerWaalsContact OD1-CB 3.31Å; N458-F460 WeakPolarHBondContact OD1-CB 3.18Å; N458-F460 PolarHBondContact OD1-N 3.15Å; F460-E462 PolarHBondContact O-N 2.82Å; F460-L488 HydrophobicContact CE2-CD1 3.86Å; F460-L488 HydrophobicContact CZ-CD1 3.68Å; F460-M582 HydrophobicContact CE1-CE 4.21Å; F460-M582 HydrophobicContact CZ-CE 3.9Å; F460-W584 AromaticContact CD1-CH2 3.98Å; F460-W584 HydrophobicContact CD1-CH2 3.98Å; F460-W584 AromaticContact CD1-CZ3 3.99Å; F460-W584 HydrophobicContact CD1-CZ3 3.99Å; F460-W584 HydrophobicContact CE1-CH2 4.17Å; F460-W584 HydrophobicContact CE1-CZ3 4.12Å; F460-L587 HydrophobicContact CD1-CD2 4.25Å; F460-L587 HydrophobicContact CE1-CD2 3.56Å; F460-L587 HydrophobicContact CZ-CD2 4.21Å
461N87Confident80.2Confident127 Ų12791.8 Ų91.868%0.67946%0.46SS*.SBendtrans62.728.1-175.3-159.132.9000113.8N458N458-N461 PolarHBondContact O-N 2.89Å; N458-N461 PolarHBondContact OD1-N 3.38Å
462E87.2Confident81.1Confident112 Ų11288.5 Ų88.552%0.52345%0.451SS..  trans-115.8147.6179.4-67.9178.2174.100110.5K457 N458 F460K457-E462 WeakPolarHBondContact CA-O 3.44Å; N458-E462 PolarHBondContact N-O 3.38Å; N458-E462 PolarHBondContact OD1-N 2.87Å; N458-E462 VanDerWaalsContact OD1-N 3.11Å; N458-E462 PolarHBondContact OD1-O 3Å; F460-E462 PolarHBondContact O-N 2.82Å
463T83.4Confident82.1Confident54 Ų5489.3 Ų89.333%0.33146%0.457SS..BIsolated β-bridgetrans-79.8130.5168.6-580000108.1A452 G455 K457 K465A452-T463 WeakPolarHBondContact O-CG2 3.48Å; G455-T463 PolarHBondContact O-OG1 3.31Å; K457-T463 WeakPolarHBondContact CD-OG1 3.3Å; K457-T463 WeakPolarHBondContact CE-OG1 3.43Å; K457-T463 PolarHBondContact NZ-OG1 3.31Å; T463-K465 PolarHBondContact O-N 2.85Å
464V83.8Confident83.4Confident78 Ų7887.4 Ų87.447%0.47346%0.457SS..  trans-67.7129.3179.7178.80000109.6N458 V466N458-V464 HydrophobicContact CB-CG2 4.3Å; V464-V466 HydrophobicContact CG1-CG2 4.12Å
465K85.8Confident84.5Confident184 Ų18481.7 Ų81.780%0.843%0.431SS*.  trans-86.7109.4170.8-173.2178.3-178.9175.70109.4T463 V467T463-K465 PolarHBondContact O-N 2.85Å; K465-V467 HydrophobicContact CD-CG2 4.33Å; K465-V467 HydrophobicContact CG-CG2 4.01Å
466V84.3Confident85.5Confident79 Ų7980.2 Ų80.248%0.47942%0.416SS..  trans-95.6129.5174.4-175.30000108.8Q449 A452 V464Q449-V466 HydrophobicContact CG-CG1 4.45Å; A452-V466 HydrophobicContact CB-CG2 4.35Å; V464-V466 HydrophobicContact CG1-CG2 4.12Å
467V83.1Confident86.3Confident85 Ų8576.7 Ų76.752%0.51541%0.413SS..  trans-132.4119.1179.5-175.60000109.1K465 M469K465-V467 HydrophobicContact CD-CG2 4.33Å; K465-V467 HydrophobicContact CG-CG2 4.01Å; V467-M469 HydrophobicContact CG1-SD 3.85Å
468E82.1Confident86.9Confident167 Ų16775.3 Ų75.378%0.7841%0.413SS*.  trans-79.5118.8170.6-171-175.7169.900109.8
469M82.7Confident87.3Confident70 Ų7073.7 Ų73.735%0.34541%0.405SS..  trans-91.8142.1-177.8-62.9-63.2-61.300110.6V467 S471 A475 T478V467-M469 HydrophobicContact CG1-SD 3.85Å; M469-S471 PolarHBondContact O-N 3.49Å; M469-A475 HydrophobicContact CB-CB 3.82Å; M469-A475 HydrophobicContact CG-CB 3.92Å; M469-T478 HydrophobicContact CE-CG2 4.34Å; M469-T478 WeakPolarHBondContact CE-OG1 3.4Å; M469-T478 HydrophobicContact SD-CG2 4.4Å
470Q81Confident87.7Confident184 Ų18473.9 Ų73.986%0.8641%0.405SS*.SBendtrans-69.3-11.6-179-65.4-71.5-51.900114.3
471S86Confident88Confident62 Ų6273.3 Ų73.343%0.43441%0.412SS..  trans-154.2139.4-176.9174.50000110.6M469 A473 G474 A475M469-S471 PolarHBondContact O-N 3.49Å; S471-A473 VanDerWaalsContact C-N 3.34Å; S471-A473 PolarHBondContact O-N 2.91Å; S471-A473 PolarHBondContact OG-N 3.41Å; S471-G474 CarbonylContact O-C 3.6Å; S471-G474 WeakPolarHBondContact O-CA 3.21Å; S471-G474 PolarHBondContact O-N 3.3Å; S471-G474 VanDerWaalsContact O-N 3.13Å; S471-A475 PolarHBondContact O-N 3.1Å
472E84.6Confident88.4Confident70 Ų7068.9 Ų68.933%0.32739%0.391SS..Hα-helixtrans-61.2-39.8175.4-61.8-68.6-17300112.6G474 A475 A476 L500 M501E472-G474 VanDerWaalsContact C-N 3.32Å; E472-G474 PolarHBondContact O-N 3.22Å; E472-A475 WeakPolarHBondContact O-CB 3.43Å; E472-A475 PolarHBondContact O-N 2.8Å; E472-A476 PolarHBondContact O-N 2.82Å; E472-L500 HydrophobicContact CB-CB 4.26Å; E472-L500 HydrophobicContact CB-CD1 4.14Å; E472-M501 HydrophobicContact CB-CE 3.97Å; E472-M501 WeakPolarHBondContact OE2-CE 3.32Å
473A86.4Confident88.9Confident46 Ų4663.5 Ų63.538%0.3837%0.366SS..Hα-helixtrans-65.5-38.7174.800000111.4S471 A476 G477S471-A473 VanDerWaalsContact C-N 3.34Å; S471-A473 PolarHBondContact O-N 2.91Å; S471-A473 PolarHBondContact OG-N 3.41Å; A473-A476 PolarHBondContact O-N 2.94Å; A473-G477 PolarHBondContact O-N 2.74Å
474G90Very high89.4Confident31 Ų3162.4 Ų62.432%0.3236%0.357SS..Hα-helixtrans-66.2-37173.600000112.8S471 E472 G477 T478S471-G474 CarbonylContact O-C 3.6Å; S471-G474 WeakPolarHBondContact O-CA 3.21Å; S471-G474 PolarHBondContact O-N 3.3Å; S471-G474 VanDerWaalsContact O-N 3.13Å; E472-G474 VanDerWaalsContact C-N 3.32Å; E472-G474 PolarHBondContact O-N 3.22Å; G474-G477 PolarHBondContact O-N 2.96Å; G474-T478 WeakPolarHBondContact O-CB 3.3Å; G474-T478 PolarHBondContact O-N 3.26Å; G474-T478 PolarHBondContact O-OG1 2.93Å
475A92.4Very high89.8Confident8 Ų862.1 Ų62.17%0.06636%0.355CS..Hα-helixtrans-61.9-49.2173.900000110.6M469 S471 E472 G477 T478 V479 M501M469-A475 HydrophobicContact CB-CB 3.82Å; M469-A475 HydrophobicContact CG-CB 3.92Å; S471-A475 PolarHBondContact O-N 3.1Å; E472-A475 WeakPolarHBondContact O-CB 3.43Å; E472-A475 PolarHBondContact O-N 2.8Å; A475-G477 VanDerWaalsContact C-N 3.34Å; A475-G477 PolarHBondContact O-N 2.92Å; A475-T478 WeakPolarHBondContact O-CB 3.31Å; A475-T478 PolarHBondContact O-N 3.39Å; A475-T478 VanDerWaalsContact O-N 3.12Å; A475-V479 VanDerWaalsContact O-CG2 3.28Å; A475-V479 WeakPolarHBondContact O-CG2 3.44Å; A475-V479 PolarHBondContact O-N 2.86Å; A475-M501 HydrophobicContact CB-CE 4.38Å
476A92.8Very high90.2Very high0 Ų053.6 Ų53.60%032%0.32CS..Hα-helixtrans-60.9-39.7177.300000113.2E472 A473 V479 H480 M501 N504E472-A476 PolarHBondContact O-N 2.82Å; A473-A476 PolarHBondContact O-N 2.94Å; A476-V479 PolarHBondContact O-N 2.91Å; A476-H480 PolarHBondContact O-N 3.37Å; A476-M501 HydrophobicContact CB-CB 3.72Å; A476-M501 HydrophobicContact CB-CG 3.71Å; A476-M501 HydrophobicContact CB-SD 4.11Å; A476-N504 HydrophobicContact CB-CB 3.91Å; A476-N504 WeakPolarHBondContact CB-ND2 3.31Å
477G93.9Very high90.7Very high32 Ų3253.4 Ų53.433%0.3332%0.319SS..Hα-helixtrans-66.2-37.7174.300000112.8A473 G474 A475 H480 G481 N504A473-G477 PolarHBondContact O-N 2.74Å; G474-G477 PolarHBondContact O-N 2.96Å; A475-G477 VanDerWaalsContact C-N 3.34Å; A475-G477 PolarHBondContact O-N 2.92Å; G477-H480 PolarHBondContact O-N 2.73Å; G477-G481 PolarHBondContact O-N 3.31Å; G477-N504 PolarHBondContact N-ND2 3.08Å
478T95Very high91.2Very high71 Ų7152 Ų5244%0.43631%0.308SS..Hα-helixtrans-67.6-40.8176.1-58.60000111.4M469 G474 A475 G481 S482M469-T478 HydrophobicContact CE-CG2 4.34Å; M469-T478 WeakPolarHBondContact CE-OG1 3.4Å; M469-T478 HydrophobicContact SD-CG2 4.4Å; G474-T478 WeakPolarHBondContact O-CB 3.3Å; G474-T478 PolarHBondContact O-N 3.26Å; G474-T478 PolarHBondContact O-OG1 2.93Å; A475-T478 WeakPolarHBondContact O-CB 3.31Å; A475-T478 PolarHBondContact O-N 3.39Å; A475-T478 VanDerWaalsContact O-N 3.12Å; T478-G481 PolarHBondContact O-N 3.16Å; T478-S482 WeakPolarHBondContact O-CB 3.22Å; T478-S482 PolarHBondContact O-N 3.07Å
479V96Very high91.8Very high7 Ų745.6 Ų45.64%0.04228%0.28CS..Hα-helixtrans-58-52.6172.5171.80000110A475 A476 G481 S482 L483 T489 T491 I508 F517A475-V479 VanDerWaalsContact O-CG2 3.28Å; A475-V479 WeakPolarHBondContact O-CG2 3.44Å; A475-V479 PolarHBondContact O-N 2.86Å; A476-V479 PolarHBondContact O-N 2.91Å; V479-G481 PolarHBondContact O-N 3.18Å; V479-S482 PolarHBondContact O-N 3.45Å; V479-L483 HydrophobicContact CG1-CD1 3.66Å; V479-L483 HydrophobicContact CG1-CG 4.29Å; V479-L483 WeakPolarHBondContact O-CB 3.43Å; V479-L483 WeakPolarHBondContact O-CD1 3.24Å; V479-L483 WeakPolarHBondContact O-CG 3.12Å; V479-L483 PolarHBondContact O-N 2.83Å; V479-T489 HydrophobicContact CB-CG2 4.44Å; V479-T489 HydrophobicContact CG1-CG2 4.47Å; V479-T489 HydrophobicContact CG2-CG2 4.11Å; V479-T491 HydrophobicContact CG2-CG2 4.09Å; V479-I508 HydrophobicContact CG1-CD1 4.14Å; V479-F517 HydrophobicContact CG1-CZ 4.2Å
480H95.8Very high92.4Very high37 Ų3744.6 Ų44.617%0.17128%0.278CS..Hα-helixtrans-57.3-49.3178.4179.7-153.1000112A476 G477 S482 L483 K484 I508 E511A476-H480 PolarHBondContact O-N 3.37Å; G477-H480 PolarHBondContact O-N 2.73Å; H480-S482 PolarHBondContact O-N 3.2Å; H480-L483 PolarHBondContact O-N 2.88Å; H480-K484 WeakPolarHBondContact O-CB 3.4Å; H480-K484 PolarHBondContact O-N 3.33Å; H480-I508 HydrophobicContact CB-CD1 4.04Å; H480-I508 HydrophobicContact CB-CG1 3.89Å; H480-E511 IonicContact CE1-OE1 3.2Å; H480-E511 IonicContact NE2-OE1 2.81Å; H480-E511 PolarHBondContact NE2-OE1 3.35Å; H480-E511 IonicContact NE2-OE2 2.81Å; H480-E511 PolarHBondContact NE2-OE2 3.48Å
481G94.6Very high93Very high36 Ų3636.6 Ų36.637%0.37124%0.242SC..Hα-helixtrans-60.6-44.617900000113G477 T478 V479 K484 T485G477-G481 PolarHBondContact O-N 3.31Å; T478-G481 PolarHBondContact O-N 3.16Å; V479-G481 PolarHBondContact O-N 3.18Å; G481-K484 WeakPolarHBondContact O-CB 3.28Å; G481-K484 PolarHBondContact O-N 3.39Å; G481-T485 PolarHBondContact O-N 2.91Å
482S95.4Very high93.2Very high33 Ų3340.8 Ų40.823%0.23125%0.249CC..Hα-helixtrans-63.9-48.2179.1-172.20000111.7T478 V479 H480 K484 T485 V487 T489T478-S482 WeakPolarHBondContact O-CB 3.22Å; T478-S482 PolarHBondContact O-N 3.07Å; V479-S482 PolarHBondContact O-N 3.45Å; H480-S482 PolarHBondContact O-N 3.2Å; S482-K484 PolarHBondContact O-N 3.29Å; S482-T485 PolarHBondContact O-N 3.4Å; S482-T485 PolarHBondContact O-OG1 2.84Å; S482-V487 PolarHBondContact O-N 2.91Å; S482-T489 VanDerWaalsContact CB-OG1 3.25Å; S482-T489 WeakPolarHBondContact CB-OG1 3.41Å; S482-T489 PolarHBondContact OG-OG1 2.84Å
483L96.7Very high93.4Very high0 Ų038 Ų380%024%0.237CC..Hα-helixtrans-57.4-38.1175.9-68.7169.6000111.9V479 H480 T485 G486 I508 L513 P514 T515 F590V479-L483 HydrophobicContact CG1-CD1 3.66Å; V479-L483 HydrophobicContact CG1-CG 4.29Å; V479-L483 WeakPolarHBondContact O-CB 3.43Å; V479-L483 WeakPolarHBondContact O-CD1 3.24Å; V479-L483 WeakPolarHBondContact O-CG 3.12Å; V479-L483 PolarHBondContact O-N 2.83Å; H480-L483 PolarHBondContact O-N 2.88Å; L483-T485 PolarHBondContact O-N 3.13Å; L483-G486 PolarHBondContact O-N 2.72Å; L483-I508 HydrophobicContact CD1-CD1 4.26Å; L483-I508 HydrophobicContact CD1-CG1 4.39Å; L483-I508 HydrophobicContact CD1-CG2 4.14Å; L483-L513 HydrophobicContact CB-CB 4.32Å; L483-L513 HydrophobicContact CB-CD1 4.1Å; L483-L513 HydrophobicContact CD1-CB 4.36Å; L483-P514 WeakPolarHBondContact CD2-O 3.19Å; L483-T515 VanDerWaalsContact CD1-CB 3.48Å; L483-T515 HydrophobicContact CD1-CG2 3.54Å; L483-F590 HydrophobicContact CD2-CZ 4.14Å; L483-F590 WeakPolarHBondContact O-CE2 3.36Å; L483-F590 WeakPolarHBondContact O-CZ 3.27Å
484K94.2Very high93.4Very high30 Ų3036.8 Ų36.813%0.1323%0.227CC..Hα-helixtrans-65.7-21.5180-165.755.4172.4-162.80113.5H480 G481 S482 G486 E511 G594 M595 S603H480-K484 WeakPolarHBondContact O-CB 3.4Å; H480-K484 PolarHBondContact O-N 3.33Å; G481-K484 WeakPolarHBondContact O-CB 3.28Å; G481-K484 PolarHBondContact O-N 3.39Å; S482-K484 PolarHBondContact O-N 3.29Å; K484-G486 VanDerWaalsContact C-N 3.31Å; K484-E511 WeakPolarHBondContact CD-OE2 3.49Å; K484-E511 WeakPolarHBondContact CE-OE2 3.31Å; K484-E511 IonicContact NZ-OE2 2.71Å; K484-E511 PolarHBondContact NZ-OE2 3.2Å; K484-G594 WeakPolarHBondContact O-CA 3.29Å; K484-M595 HydrophobicContact CB-CE 4.13Å; K484-M595 HydrophobicContact CD-CG 4.42Å; K484-M595 HydrophobicContact CG-CE 3.74Å; K484-M595 HydrophobicContact CG-CG 3.86Å; K484-M595 HydrophobicContact CG-SD 3.74Å; K484-M595 PolarHBondContact O-N 3.48Å; K484-S603 WeakPolarHBondContact CE-OG 3.4Å; K484-S603 PolarHBondContact NZ-OG 3.18Å
485T93.5Very high93.2Very high72 Ų7236.2 Ų36.244%0.44222%0.218SC..THydrogen-bonded Turntrans-83.9-3.2172.668.70000113.7G481 S482 L483 V487 M595G481-T485 PolarHBondContact O-N 2.91Å; S482-T485 PolarHBondContact O-N 3.4Å; S482-T485 PolarHBondContact O-OG1 2.84Å; L483-T485 PolarHBondContact O-N 3.13Å; T485-V487 WeakPolarHBondContact OG1-CG2 3.42Å; T485-M595 HydrophobicContact CG2-CE 4.09Å
486G93.3Very high92.9Very high6 Ų639.4 Ų39.46%0.06223%0.232CC..THydrogen-bonded Turntrans87.112.2-176.900000114.1L483 K484 F590 R591L483-G486 PolarHBondContact O-N 2.72Å; K484-G486 VanDerWaalsContact C-N 3.31Å; G486-F590 VanDerWaalsContact C-CE1 3.49Å; G486-F590 VanDerWaalsContact O-CE1 3.3Å; G486-F590 WeakPolarHBondContact O-CE1 3.49Å; G486-R591 WeakPolarHBondContact O-CG 3.35Å
487V94.4Very high92.7Very high75 Ų7539.7 Ų39.746%0.45524%0.235SC..  trans-88.3129.1176177.20000109.3S482 T485 T489S482-V487 PolarHBondContact O-N 2.91Å; T485-V487 WeakPolarHBondContact OG1-CG2 3.42Å; V487-T489 PolarHBondContact O-N 3.14Å; V487-T489 PolarHBondContact O-OG1 3.46Å
488L94.2Very high92.5Very high54 Ų5439.2 Ų39.228%0.28322%0.224SC..  trans-67.3119.7171.1-71179.4000108.8F460 I548 L587 F590F460-L488 HydrophobicContact CE2-CD1 3.86Å; F460-L488 HydrophobicContact CZ-CD1 3.68Å; L488-I548 HydrophobicContact CD1-CD1 4.13Å; L488-I548 HydrophobicContact CD2-CD1 4.18Å; L488-I548 HydrophobicContact CD2-CG1 4.14Å; L488-L587 HydrophobicContact CD1-CD1 3.62Å; L488-L587 HydrophobicContact CD2-CD1 4.04Å; L488-L587 HydrophobicContact CG-CD1 3.85Å; L488-F590 HydrophobicContact CD2-CD1 3.88Å; L488-F590 HydrophobicContact CD2-CE1 3.66Å; L488-F590 HydrophobicContact CG-CE1 4.19Å
489T95.3Very high92.3Very high33 Ų3340 Ų4020%0.20223%0.226CC..  trans-131.8142.7-179.1-57.30000108.4V479 S482 V487 T515V479-T489 HydrophobicContact CB-CG2 4.44Å; V479-T489 HydrophobicContact CG1-CG2 4.47Å; V479-T489 HydrophobicContact CG2-CG2 4.11Å; S482-T489 VanDerWaalsContact CB-OG1 3.25Å; S482-T489 WeakPolarHBondContact CB-OG1 3.41Å; S482-T489 PolarHBondContact OG-OG1 2.84Å; V487-T489 PolarHBondContact O-N 3.14Å; V487-T489 PolarHBondContact O-OG1 3.46Å; T489-T515 PolarHBondContact O-OG1 2.87Å
490T94.2Very high92.1Very high49 Ų4944.7 Ų44.730%0.30125%0.25SS..  trans-132.7155.3177.3-163.70000107.9Y492 V516 H518T490-Y492 HydrophobicContact CG2-CE2 3.93Å; T490-V516 PolarHBondContact OG1-O 2.79Å; T490-H518 PolarHBondContact OG1-CD2 3.31Å
491T93.9Very high92Very high16 Ų1643 Ų4310%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-130.6149.2174.7-1680000111V479 M501 V516 F517 H518V479-T491 HydrophobicContact CG2-CG2 4.09Å; T491-M501 HydrophobicContact CG2-SD 4.3Å; T491-V516 PolarHBondContact N-O 3.47Å; T491-F517 HydrophobicContact CG2-CB 4.42Å; T491-F517 HydrophobicContact CG2-CD1 3.22Å; T491-F517 HydrophobicContact CG2-CE1 3.52Å; T491-F517 HydrophobicContact CG2-CG 3.93Å; T491-F517 HydrophobicContact CG2-CZ 4.42Å; T491-H518 PolarHBondContact O-N 2.84Å
492Y89.6Confident92Very high151 Ų15144.6 Ų44.659%0.59224%0.242SC*.EExtended strand (participates in β ladder)trans-112.4127.1174.2-63.7-95.8000107.8T490 H518T490-Y492 HydrophobicContact CG2-CE2 3.93Å; Y492-H518 WeakPolarHBondContact CA-O 3.27Å; Y492-H518 HydrophobicContact CD1-CB 3.4Å; Y492-H518 AromaticContact CD1-CG 3.99Å; Y492-H518 HydrophobicContact CE1-CB 3.6Å; Y492-H518 AromaticContact CE1-CD2 3.53Å; Y492-H518 AromaticContact CE1-CG 3.64Å; Y492-H518 HydrophobicContact CG-CB 4.11Å; Y492-H518 AromaticContact CZ-CD2 3.62Å
493T90.5Very high91.9Very high11 Ų1147.3 Ų47.37%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-144.2170.4-179.7-1790000109.8L498 M501 H518 V519 A520T493-L498 HydrophobicContact CG2-CB 4.41Å; T493-L498 HydrophobicContact CG2-CD1 4.35Å; T493-L498 PolarHBondContact OG1-N 2.89Å; T493-M501 HydrophobicContact CG2-CE 4.12Å; T493-M501 HydrophobicContact CG2-SD 4.12Å; T493-H518 PolarHBondContact N-O 2.79Å; T493-V519 HydrophobicContact CG2-CG2 4.02Å; T493-V519 CarbonylContact O-C 3.5Å; T493-V519 WeakPolarHBondContact O-CA 3.34Å; T493-A520 PolarHBondContact O-N 2.66Å
494A86.7Confident91.8Very high20 Ų2049.2 Ų49.217%0.16527%0.268CS..EExtended strand (participates in β ladder)trans-105.1169165.700000111.3Q496 G497 L498 A520A494-Q496 VanDerWaalsContact C-N 3.25Å; A494-Q496 PolarHBondContact O-N 3.39Å; A494-Q496 VanDerWaalsContact O-N 3.13Å; A494-G497 PolarHBondContact O-N 2.95Å; A494-L498 PolarHBondContact O-N 2.81Å; A494-A520 WeakPolarHBondContact CA-O 2.97Å; A494-A520 HydrophobicContact CB-CB 4.42Å
495S85.3Confident91.9Very high19 Ų1949.3 Ų49.313%0.13327%0.27CS..Hα-helixtrans-49.6-40.5-178.6-58.30000114.5L498 A520 R522S495-L498 WeakPolarHBondContact O-CB 3.24Å; S495-L498 PolarHBondContact O-N 3.43Å; S495-A520 PolarHBondContact N-O 2.82Å; S495-R522 WeakPolarHBondContact CB-O 3.5Å; S495-R522 PolarHBondContact OG-N 3.04Å; S495-R522 PolarHBondContact OG-O 2.9Å
496Q84.9Confident91.9Very high75 Ų7553.3 Ų53.335%0.3528%0.281SS..Hα-helixtrans-66.7-43.8177.5-79.5-7423.600112.8A494 L498 L499 S525A494-Q496 VanDerWaalsContact C-N 3.25Å; A494-Q496 PolarHBondContact O-N 3.39Å; A494-Q496 VanDerWaalsContact O-N 3.13Å; Q496-L498 VanDerWaalsContact C-N 3.27Å; Q496-L498 PolarHBondContact O-N 2.93Å; Q496-L499 PolarHBondContact O-N 2.74Å; Q496-S525 PolarHBondContact NE2-OG 3.13Å
497G88.3Confident91.9Very high7 Ų757.9 Ų57.97%0.07230%0.3CS..Hα-helixtrans-64.4-34.3178.100000112.1A494 L499 L500 M501A494-G497 PolarHBondContact O-N 2.95Å; G497-L499 VanDerWaalsContact C-N 3.25Å; G497-L499 PolarHBondContact O-N 2.87Å; G497-L500 WeakPolarHBondContact O-CB 3.32Å; G497-L500 PolarHBondContact O-N 3.28Å; G497-M501 WeakPolarHBondContact O-CG 3.38Å
498L90.5Very high92Very high21 Ų2154.3 Ų54.311%0.1128%0.278CS..Hα-helixtrans-57-36.9177.9-173.268.4000112.6T493 A494 S495 Q496 L500 M501 I502 M505 V519 M555 F557T493-L498 HydrophobicContact CG2-CB 4.41Å; T493-L498 HydrophobicContact CG2-CD1 4.35Å; T493-L498 PolarHBondContact OG1-N 2.89Å; A494-L498 PolarHBondContact O-N 2.81Å; S495-L498 WeakPolarHBondContact O-CB 3.24Å; S495-L498 PolarHBondContact O-N 3.43Å; Q496-L498 VanDerWaalsContact C-N 3.27Å; Q496-L498 PolarHBondContact O-N 2.93Å; L498-L500 PolarHBondContact O-N 3.06Å; L498-M501 WeakPolarHBondContact O-CB 3.38Å; L498-M501 PolarHBondContact O-N 3.44Å; L498-I502 PolarHBondContact O-N 2.8Å; L498-M505 HydrophobicContact CD1-CE 4.03Å; L498-M505 HydrophobicContact CD1-SD 3.73Å; L498-M505 HydrophobicContact CG-SD 4.5Å; L498-V519 HydrophobicContact CD1-CG2 4.01Å; L498-V519 HydrophobicContact CD2-CG1 4.28Å; L498-V519 HydrophobicContact CD2-CG2 4.16Å; L498-M555 HydrophobicContact CD1-SD 4.43Å; L498-M555 HydrophobicContact CD2-SD 4.1Å; L498-F557 HydrophobicContact CD2-CE1 4.28Å; L498-F557 HydrophobicContact CD2-CZ 4.08Å
499L91.4Very high92Very high89 Ų8952.5 Ų52.547%0.46627%0.271SS..Hα-helixtrans-59.2-29.9177.7-62.5178.8000112.5Q496 G497 M501 I502 V524Q496-L499 PolarHBondContact O-N 2.74Å; G497-L499 VanDerWaalsContact C-N 3.25Å; G497-L499 PolarHBondContact O-N 2.87Å; L499-M501 VanDerWaalsContact C-N 3.31Å; L499-I502 HydrophobicContact CD2-CD1 4.24Å; L499-V524 HydrophobicContact CD1-CG1 4.14Å
500L91.5Very high91.9Very high105 Ų10553 Ų5355%0.5528%0.282SS..THydrogen-bonded Turntrans-81.9-9.8177.5-57176.3000113E472 G497 L498E472-L500 HydrophobicContact CB-CB 4.26Å; E472-L500 HydrophobicContact CB-CD1 4.14Å; G497-L500 WeakPolarHBondContact O-CB 3.32Å; G497-L500 PolarHBondContact O-N 3.28Å; L498-L500 PolarHBondContact O-N 3.06Å
501M94.5Very high91.9Very high0 Ų052.6 Ų52.60%028%0.277CS..THydrogen-bonded Turntrans-98.6-13.8-177.5-54.3-163.6176.400113.7E472 A475 A476 T491 T493 G497 L498 L499 P503 N504 M505 F517E472-M501 HydrophobicContact CB-CE 3.97Å; E472-M501 WeakPolarHBondContact OE2-CE 3.32Å; A475-M501 HydrophobicContact CB-CE 4.38Å; A476-M501 HydrophobicContact CB-CB 3.72Å; A476-M501 HydrophobicContact CB-CG 3.71Å; A476-M501 HydrophobicContact CB-SD 4.11Å; T491-M501 HydrophobicContact CG2-SD 4.3Å; T493-M501 HydrophobicContact CG2-CE 4.12Å; T493-M501 HydrophobicContact CG2-SD 4.12Å; G497-M501 WeakPolarHBondContact O-CG 3.38Å; L498-M501 WeakPolarHBondContact O-CB 3.38Å; L498-M501 PolarHBondContact O-N 3.44Å; L499-M501 VanDerWaalsContact C-N 3.31Å; M501-P503 VanDerWaalsContact C-CD 3.5Å; M501-N504 PolarHBondContact O-N 3.09Å; M501-N504 VanDerWaalsContact O-N 3.08Å; M501-M505 HydrophobicContact CB-CG 4.41Å; M501-M505 HydrophobicContact CB-SD 4.05Å; M501-M505 WeakPolarHBondContact O-CG 3.27Å; M501-M505 PolarHBondContact O-N 3.5Å; M501-M505 VanDerWaalsContact O-N 3.15Å; M501-F517 HydrophobicContact SD-CD1 3.89Å; M501-F517 HydrophobicContact SD-CE1 3.82Å
502I94.2Very high92Very high71 Ų7154 Ų5436%0.36428%0.284SS..Hα-helixtrans-47.3-49.3-172.1-65.2174.4000113.6L498 L499 N504 M505 F506L498-I502 PolarHBondContact O-N 2.8Å; L499-I502 HydrophobicContact CD2-CD1 4.24Å; I502-N504 VanDerWaalsContact C-N 3.32Å; I502-N504 PolarHBondContact O-N 3.44Å; I502-M505 WeakPolarHBondContact O-CB 3.33Å; I502-M505 PolarHBondContact O-N 3.3Å; I502-M505 VanDerWaalsContact O-N 3.13Å; I502-F506 HydrophobicContact CG2-CD2 3.81Å; I502-F506 HydrophobicContact CG2-CE2 3.57Å; I502-F506 WeakPolarHBondContact O-CD2 3.5Å; I502-F506 PolarHBondContact O-N 2.83Å
503P93.6Very high92.3Very high90 Ų9047.5 Ų47.558%0.58426%0.259SS*.Hα-helixtrans-60.6-39.4-177-24.935.9000113.5M501 K507M501-P503 VanDerWaalsContact C-CD 3.5Å; P503-K507 PolarHBondContact O-N 3.12Å
504N94.6Very high92.7Very high39 Ų3947.1 Ų47.121%0.20926%0.257CS..Hα-helixtrans-71.1-35.1178.1-71.7-49.7000111.2A476 G477 M501 I502 F506 K507 I508A476-N504 HydrophobicContact CB-CB 3.91Å; A476-N504 WeakPolarHBondContact CB-ND2 3.31Å; G477-N504 PolarHBondContact N-ND2 3.08Å; M501-N504 PolarHBondContact O-N 3.09Å; M501-N504 VanDerWaalsContact O-N 3.08Å; I502-N504 VanDerWaalsContact C-N 3.32Å; I502-N504 PolarHBondContact O-N 3.44Å; N504-F506 PolarHBondContact O-N 3.5Å; N504-K507 WeakPolarHBondContact O-CB 3.32Å; N504-K507 PolarHBondContact O-N 3.49Å; N504-K507 VanDerWaalsContact O-N 3.14Å; N504-I508 WeakPolarHBondContact O-CB 3.44Å; N504-I508 VanDerWaalsContact O-CG1 3.24Å; N504-I508 WeakPolarHBondContact O-CG1 3.22Å; N504-I508 PolarHBondContact O-N 2.95Å
505M95Very high93.2Very high32 Ų3246.4 Ų46.416%0.15825%0.25CS..Hα-helixtrans-61.3-43177.2-65.2163.362.400112L498 M501 I502 K507 I508 A509 F517 M555L498-M505 HydrophobicContact CD1-CE 4.03Å; L498-M505 HydrophobicContact CD1-SD 3.73Å; L498-M505 HydrophobicContact CG-SD 4.5Å; M501-M505 HydrophobicContact CB-CG 4.41Å; M501-M505 HydrophobicContact CB-SD 4.05Å; M501-M505 WeakPolarHBondContact O-CG 3.27Å; M501-M505 PolarHBondContact O-N 3.5Å; M501-M505 VanDerWaalsContact O-N 3.15Å; I502-M505 WeakPolarHBondContact O-CB 3.33Å; I502-M505 PolarHBondContact O-N 3.3Å; I502-M505 VanDerWaalsContact O-N 3.13Å; M505-K507 VanDerWaalsContact C-N 3.29Å; M505-K507 PolarHBondContact O-N 2.94Å; M505-I508 PolarHBondContact O-N 3.41Å; M505-A509 WeakPolarHBondContact O-CB 3.44Å; M505-A509 PolarHBondContact O-N 3.34Å; M505-F517 HydrophobicContact CG-CE1 4.08Å; M505-F517 HydrophobicContact CG-CE2 4.23Å; M505-F517 HydrophobicContact CG-CZ 3.9Å; M505-M555 HydrophobicContact CE-CE 4.35Å; M505-M555 HydrophobicContact CE-CG 3.86Å; M505-M555 HydrophobicContact CE-SD 3.34Å; M505-M555 WeakPolarHBondContact CE-SD 3.45Å
506F94.2Very high93.7Very high156 Ų15645.6 Ų45.668%0.68424%0.244SC*.Hα-helixtrans-61.3-37.7174.3-82.6-76.8000112.5I502 N504 G510I502-F506 HydrophobicContact CG2-CD2 3.81Å; I502-F506 HydrophobicContact CG2-CE2 3.57Å; I502-F506 WeakPolarHBondContact O-CD2 3.5Å; I502-F506 PolarHBondContact O-N 2.83Å; N504-F506 PolarHBondContact O-N 3.5Å; F506-G510 PolarHBondContact O-N 2.99Å
507K93.8Very high94.2Very high103 Ų10342 Ų4245%0.44823%0.228SC..Hα-helixtrans-67.9-46.8175.5-73.4-68.7-172.9176.10112P503 N504 M505 A509 G510 E511P503-K507 PolarHBondContact O-N 3.12Å; N504-K507 WeakPolarHBondContact O-CB 3.32Å; N504-K507 PolarHBondContact O-N 3.49Å; N504-K507 VanDerWaalsContact O-N 3.14Å; M505-K507 VanDerWaalsContact C-N 3.29Å; M505-K507 PolarHBondContact O-N 2.94Å; K507-A509 PolarHBondContact O-N 3.19Å; K507-G510 PolarHBondContact O-N 3.19Å; K507-E511 WeakPolarHBondContact O-CB 3.4Å; K507-E511 WeakPolarHBondContact O-CG 3.2Å; K507-E511 PolarHBondContact O-N 3.28Å
508I95.9Very high94.3Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-57.6-47.9177.3-70.3167.1000110.6V479 H480 L483 N504 M505 E511 L512 L513 T515 F517 P553V479-I508 HydrophobicContact CG1-CD1 4.14Å; H480-I508 HydrophobicContact CB-CD1 4.04Å; H480-I508 HydrophobicContact CB-CG1 3.89Å; L483-I508 HydrophobicContact CD1-CD1 4.26Å; L483-I508 HydrophobicContact CD1-CG1 4.39Å; L483-I508 HydrophobicContact CD1-CG2 4.14Å; N504-I508 WeakPolarHBondContact O-CB 3.44Å; N504-I508 VanDerWaalsContact O-CG1 3.24Å; N504-I508 WeakPolarHBondContact O-CG1 3.22Å; N504-I508 PolarHBondContact O-N 2.95Å; M505-I508 PolarHBondContact O-N 3.41Å; I508-E511 PolarHBondContact O-N 3.16Å; I508-L512 PolarHBondContact O-N 3.27Å; I508-L513 HydrophobicContact CG2-CB 3.91Å; I508-L513 WeakPolarHBondContact CG2-O 3.43Å; I508-L513 PolarHBondContact O-N 2.83Å; I508-T515 HydrophobicContact CG2-CG2 3.55Å; I508-F517 HydrophobicContact CD1-CE2 4.08Å; I508-F517 HydrophobicContact CD1-CZ 3.73Å; I508-P553 HydrophobicContact CG2-CB 3.81Å; I508-P553 HydrophobicContact CG2-CG 3.95Å
509A95.1Very high94.3Very high16 Ų1641 Ų4113%0.13222%0.221CC..Hα-helixtrans-65.1-43.8176.600000112.2M505 K507 E511 L512 P553M505-A509 WeakPolarHBondContact O-CB 3.44Å; M505-A509 PolarHBondContact O-N 3.34Å; K507-A509 PolarHBondContact O-N 3.19Å; A509-E511 PolarHBondContact O-N 3.36Å; A509-L512 PolarHBondContact O-N 2.91Å; A509-L512 VanDerWaalsContact O-N 3.08Å; A509-P553 HydrophobicContact CB-CG 3.73Å
510G93.2Very high94Very high43 Ų4337.3 Ų37.344%0.44320%0.203SC..Hα-helixtrans-65.8-22.217800000114.3F506 K507F506-G510 PolarHBondContact O-N 2.99Å; K507-G510 PolarHBondContact O-N 3.19Å
511E94.2Very high93.6Very high41 Ų4132.5 Ų32.519%0.19218%0.178CC..THydrogen-bonded Turntrans-96.75.3174.6-68.5-174.9-155.700113.4H480 K484 K507 I508 A509 L513 S603H480-E511 IonicContact CE1-OE1 3.2Å; H480-E511 IonicContact NE2-OE1 2.81Å; H480-E511 PolarHBondContact NE2-OE1 3.35Å; H480-E511 IonicContact NE2-OE2 2.81Å; H480-E511 PolarHBondContact NE2-OE2 3.48Å; K484-E511 WeakPolarHBondContact CD-OE2 3.49Å; K484-E511 WeakPolarHBondContact CE-OE2 3.31Å; K484-E511 IonicContact NZ-OE2 2.71Å; K484-E511 PolarHBondContact NZ-OE2 3.2Å; K507-E511 WeakPolarHBondContact O-CB 3.4Å; K507-E511 WeakPolarHBondContact O-CG 3.2Å; K507-E511 PolarHBondContact O-N 3.28Å; I508-E511 PolarHBondContact O-N 3.16Å; A509-E511 PolarHBondContact O-N 3.36Å; E511-L513 VanDerWaalsContact C-N 3.3Å; E511-L513 HydrophobicContact CB-CD1 3.96Å; E511-L513 HydrophobicContact CB-CG 3.84Å; E511-L513 PolarHBondContact O-N 2.94Å; E511-S603 PolarHBondContact OE2-OG 2.97Å
512L95.1Very high92.9Very high46 Ų4637.1 Ų37.124%0.24120%0.195CC..THydrogen-bonded Turntrans55.642.2179.6-56.6176000113I508 A509 R551 L552 V619 Y622I508-L512 PolarHBondContact O-N 3.27Å; A509-L512 PolarHBondContact O-N 2.91Å; A509-L512 VanDerWaalsContact O-N 3.08Å; L512-R551 CarbonylContact C-O 3.09Å; L512-R551 WeakPolarHBondContact CA-O 3.09Å; L512-R551 HydrophobicContact CB-CB 4.29Å; L512-L552 HydrophobicContact CD2-CD2 3.94Å; L512-V619 HydrophobicContact CD2-CG2 3.88Å; L512-Y622 HydrophobicContact CD1-CD2 4.29Å; L512-Y622 HydrophobicContact CD1-CE1 4.02Å; L512-Y622 HydrophobicContact CD1-CE2 3.62Å; L512-Y622 VanDerWaalsContact CD1-CZ 3.47Å; L512-Y622 HydrophobicContact CD2-CD1 4.39Å; L512-Y622 HydrophobicContact CD2-CD2 4.04Å; L512-Y622 HydrophobicContact CD2-CE2 4.23Å; L512-Y622 HydrophobicContact CD2-CG 4.12Å
513L96.8Very high92.3Very high14 Ų1434.5 Ų34.57%0.07319%0.185CC..  trans-93.4120-177.6-62.6176.2000110.6L483 I508 E511 F590L483-L513 HydrophobicContact CB-CB 4.32Å; L483-L513 HydrophobicContact CB-CD1 4.1Å; L483-L513 HydrophobicContact CD1-CB 4.36Å; I508-L513 HydrophobicContact CG2-CB 3.91Å; I508-L513 WeakPolarHBondContact CG2-O 3.43Å; I508-L513 PolarHBondContact O-N 2.83Å; E511-L513 VanDerWaalsContact C-N 3.3Å; E511-L513 HydrophobicContact CB-CD1 3.96Å; E511-L513 HydrophobicContact CB-CG 3.84Å; E511-L513 PolarHBondContact O-N 2.94Å; L513-F590 HydrophobicContact CD2-CE2 4.22Å
514P97.2Very high91.9Very high3 Ų333.4 Ų33.42%0.01918%0.176CC..  trans-73.6128.2177.931.4-36000111.3L483 S547 I548 F590L483-P514 WeakPolarHBondContact CD2-O 3.19Å; P514-S547 VanDerWaalsContact CA-OG 3.27Å; P514-S547 WeakPolarHBondContact CA-OG 3.46Å; P514-S547 VanDerWaalsContact CB-O 3.29Å; P514-S547 WeakPolarHBondContact CB-O 3.37Å; P514-I548 HydrophobicContact CB-CG1 4.36Å; P514-F590 HydrophobicContact CG-CB 4.24Å; P514-F590 HydrophobicContact CG-CD1 4.19Å; P514-F590 HydrophobicContact CG-CD2 3.48Å; P514-F590 VanDerWaalsContact CG-CD2 3.48Å; P514-F590 HydrophobicContact CG-CE1 4.46Å; P514-F590 HydrophobicContact CG-CE2 3.81Å; P514-F590 HydrophobicContact CG-CG 3.69Å; P514-F590 HydrophobicContact CG-CZ 4.28Å
515T97.4Very high91.4Very high5 Ų533.6 Ų33.63%0.03118%0.18CC..  trans-166.3158.2176.3178.90000109.7L483 T489 I508 F517 S547 P553 F554L483-T515 VanDerWaalsContact CD1-CB 3.48Å; L483-T515 HydrophobicContact CD1-CG2 3.54Å; T489-T515 PolarHBondContact O-OG1 2.87Å; I508-T515 HydrophobicContact CG2-CG2 3.55Å; T515-F517 HydrophobicContact CG2-CD2 4.2Å; T515-F517 HydrophobicContact CG2-CE2 3.68Å; T515-S547 PolarHBondContact N-OG 3.35Å; T515-S547 PolarHBondContact O-OG 3Å; T515-P553 HydrophobicContact CG2-CB 3.62Å; T515-P553 CarbonylContact O-C 3.55Å; T515-P553 VanDerWaalsContact O-CA 3.25Å; T515-P553 WeakPolarHBondContact O-CA 3.29Å; T515-F554 PolarHBondContact O-N 3.44Å
516V96Very high91.1Very high1 Ų137.8 Ų37.81%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-116.4129.9171.1-173.70000109.7T490 T491 A543 H544 F554 N556T490-V516 PolarHBondContact OG1-O 2.79Å; T491-V516 PolarHBondContact N-O 3.47Å; V516-A543 HydrophobicContact CG1-CB 4.26Å; V516-A543 HydrophobicContact CG2-CB 4.21Å; V516-H544 HydrophobicContact CG2-CB 4.24Å; V516-H544 WeakPolarHBondContact CG2-ND1 3.18Å; V516-F554 CarbonylContact C-O 3.53Å; V516-F554 WeakPolarHBondContact CA-O 3.5Å; V516-F554 HydrophobicContact CG1-CB 4.48Å; V516-F554 HydrophobicContact CG2-CB 4.31Å; V516-N556 HydrophobicContact CG1-CB 3.71Å
517F94.8Very high90.7Very high1 Ų135 Ų350%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-95.5104165.3-70.9-103.7000106.4V479 T491 M501 M505 I508 T515 V519 F554 M555 N556V479-F517 HydrophobicContact CG1-CZ 4.2Å; T491-F517 HydrophobicContact CG2-CB 4.42Å; T491-F517 HydrophobicContact CG2-CD1 3.22Å; T491-F517 HydrophobicContact CG2-CE1 3.52Å; T491-F517 HydrophobicContact CG2-CG 3.93Å; T491-F517 HydrophobicContact CG2-CZ 4.42Å; M501-F517 HydrophobicContact SD-CD1 3.89Å; M501-F517 HydrophobicContact SD-CE1 3.82Å; M505-F517 HydrophobicContact CG-CE1 4.08Å; M505-F517 HydrophobicContact CG-CE2 4.23Å; M505-F517 HydrophobicContact CG-CZ 3.9Å; I508-F517 HydrophobicContact CD1-CE2 4.08Å; I508-F517 HydrophobicContact CD1-CZ 3.73Å; T515-F517 HydrophobicContact CG2-CD2 4.2Å; T515-F517 HydrophobicContact CG2-CE2 3.68Å; F517-V519 HydrophobicContact CB-CG2 4.38Å; F517-V519 PolarHBondContact O-N 2.81Å; F517-F554 PolarHBondContact N-O 3.23Å; F517-M555 HydrophobicContact CB-CG 4.47Å; F517-N556 PolarHBondContact O-N 3.5Å
518H92.1Very high90.3Very high7 Ų733 Ų333%0.03220%0.203CC..EExtended strand (participates in β ladder)trans-79.4113.3173.2-73.6-68000108.2T490 T491 Y492 T493 H544 N556 F558T490-H518 PolarHBondContact OG1-CD2 3.31Å; T491-H518 PolarHBondContact O-N 2.84Å; Y492-H518 WeakPolarHBondContact CA-O 3.27Å; Y492-H518 HydrophobicContact CD1-CB 3.4Å; Y492-H518 AromaticContact CD1-CG 3.99Å; Y492-H518 HydrophobicContact CE1-CB 3.6Å; Y492-H518 AromaticContact CE1-CD2 3.53Å; Y492-H518 AromaticContact CE1-CG 3.64Å; Y492-H518 HydrophobicContact CG-CB 4.11Å; Y492-H518 AromaticContact CZ-CD2 3.62Å; T493-H518 PolarHBondContact N-O 2.79Å; H518-H544 AromaticContact CD2-NE2 3.97Å; H518-H544 AromaticContact CE1-NE2 3.63Å; H518-H544 AromaticContact NE2-CD2 3.77Å; H518-H544 AromaticContact NE2-CE1 3.84Å; H518-H544 AromaticContact NE2-NE2 2.87Å; H518-H544 PolarHBondContact NE2-NE2 3.06Å; H518-N556 PolarHBondContact ND1-ND2 3.44Å; H518-F558 HydrophobicContact CB-CE1 3.9Å
519V89.7Confident89.8Confident0 Ų039.4 Ų39.40%024%0.236CC..EExtended strand (participates in β ladder)trans-112.1111.3-174.7-171.40000109.5T493 L498 F517 A521 N556 F557 F558T493-V519 HydrophobicContact CG2-CG2 4.02Å; T493-V519 CarbonylContact O-C 3.5Å; T493-V519 WeakPolarHBondContact O-CA 3.34Å; L498-V519 HydrophobicContact CD1-CG2 4.01Å; L498-V519 HydrophobicContact CD2-CG1 4.28Å; L498-V519 HydrophobicContact CD2-CG2 4.16Å; F517-V519 HydrophobicContact CB-CG2 4.38Å; F517-V519 PolarHBondContact O-N 2.81Å; V519-A521 PolarHBondContact O-N 3.17Å; V519-N556 PolarHBondContact N-O 2.89Å; V519-F557 HydrophobicContact CB-CD1 3.73Å; V519-F557 HydrophobicContact CB-CE1 3.8Å; V519-F557 HydrophobicContact CB-CG 4.4Å; V519-F557 HydrophobicContact CG1-CD1 3.81Å; V519-F557 HydrophobicContact CG1-CE1 3.62Å; V519-F557 HydrophobicContact CG2-CE1 4.28Å; V519-F557 WeakPolarHBondContact O-CA 3.45Å; V519-F558 VanDerWaalsContact C-CE1 3.49Å; V519-F558 WeakPolarHBondContact O-CD1 3.43Å; V519-F558 PolarHBondContact O-N 3Å
520A85.5Confident89.1Confident11 Ų1140 Ų409%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-65.5102.7164.400000108.1T493 A494 S495 R522 F558T493-A520 PolarHBondContact O-N 2.66Å; A494-A520 WeakPolarHBondContact CA-O 2.97Å; A494-A520 HydrophobicContact CB-CB 4.42Å; S495-A520 PolarHBondContact N-O 2.82Å; A520-R522 PolarHBondContact O-N 3.01Å; A520-R522 VanDerWaalsContact O-N 3.14Å; A520-F558 CarbonylContact C-O 3.56Å; A520-F558 WeakPolarHBondContact CA-O 3.5Å; A520-F558 HydrophobicContact CB-CE2 4.2Å; A520-F558 HydrophobicContact CB-CZ 3.97Å
521A82.4Confident87.9Confident3 Ų341.6 Ų41.63%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-60.9118177.800000108.4V519 G533 D534 F557 F558 G560V519-A521 PolarHBondContact O-N 3.17Å; A521-G533 WeakPolarHBondContact O-CA 3.2Å; A521-D534 HydrophobicContact CB-CB 4.19Å; A521-D534 PolarHBondContact O-N 3.11Å; A521-F557 HydrophobicContact CB-CD1 4.4Å; A521-F558 PolarHBondContact N-O 3.15Å; A521-G560 PolarHBondContact O-N 3.18Å
522R80.6Confident86.6Confident97 Ų9742.5 Ų42.537%0.36624%0.241SC..BIsolated β-bridgetrans-136.6153.1174.6-65.8-174.8-175.2161.91.8110.3S495 A520 V524 F532S495-R522 WeakPolarHBondContact CB-O 3.5Å; S495-R522 PolarHBondContact OG-N 3.04Å; S495-R522 PolarHBondContact OG-O 2.9Å; A520-R522 PolarHBondContact O-N 3.01Å; A520-R522 VanDerWaalsContact O-N 3.14Å; R522-V524 PolarHBondContact O-N 3.05Å; R522-F532 WeakPolarHBondContact CA-O 3.35Å
523A81.2Confident84.8Confident17 Ų1740.3 Ų40.314%0.1423%0.229CC..PPolyproline II helixtrans-57.6127.6171.800000110.7S525 F532 D534 A752A523-S525 PolarHBondContact O-N 3.28Å; A523-F532 PolarHBondContact N-O 3.11Å; A523-D534 PolarHBondContact N-OD2 3.2Å; A523-A752 HydrophobicContact CB-CB 4.26Å
524V85.5Confident82.5Confident67 Ų6740.5 Ų40.541%0.40623%0.23SC..PPolyproline II helixtrans-70.7127.8168.9177.90000107.7L499 R522 T526L499-V524 HydrophobicContact CD1-CG1 4.14Å; R522-V524 PolarHBondContact O-N 3.05Å; V524-T526 PolarHBondContact O-N 3.26Å
525S84.4Confident80.1Confident42 Ų4242 Ų4229%0.29424%0.237SC..PPolyproline II helixtrans-64.4128179.4-40.10000110.1Q496 A523 A528 L529Q496-S525 PolarHBondContact NE2-OG 3.13Å; A523-S525 PolarHBondContact O-N 3.28Å; S525-A528 WeakPolarHBondContact CA-O 3.25Å; S525-L529 WeakPolarHBondContact OG-CD1 3.5Å
526T88.4Confident77.4Confident120 Ų12044.6 Ų44.674%0.73625%0.25SC*.SBendtrans-126.6-97.4-18053.90000109.6V524 A528V524-T526 PolarHBondContact O-N 3.26Å; T526-A528 PolarHBondContact N-O 2.74Å
527N86.5Confident75.1Confident99 Ų9946.5 Ų46.553%0.52926%0.259SS..SBendtrans-77.2-23173.166.1-64.3000112.4G1057N527-G1057 WeakPolarHBondContact O-CA 3.44Å
528A85.4Confident73.6Confident60 Ų6051 Ų5150%0.49628%0.283SS..SBendtrans-142.7159.3174.900000110.9S525 T526S525-A528 WeakPolarHBondContact CA-O 3.25Å; T526-A528 PolarHBondContact N-O 2.74Å
529L84.8Confident73.1Confident135 Ų13551.2 Ų51.271%0.70728%0.284SS*.  trans-86.5126170.1173.965.2000109.3S525S525-L529 WeakPolarHBondContact OG-CD1 3.5Å
530S79.8Confident73.1Confident29 Ų2953.1 Ų53.120%0.20330%0.298CS..  trans-121.9137.3166.1175.60000109.3F532 A752S530-F532 PolarHBondContact OG-N 3.23Å; S530-A752 WeakPolarHBondContact OG-CB 3.5Å
531I68.1Low73.3Confident75 Ų7553.7 Ų53.739%0.38530%0.303SS..  trans-98-2178.963171.8000112.9F561I531-F561 HydrophobicContact CD1-CD2 4.36Å; I531-F561 HydrophobicContact CD1-CE2 3.77Å; I531-F561 HydrophobicContact CG1-CD2 4.25Å; I531-F561 HydrophobicContact CG1-CE2 4.07Å
532F67.5Low73.9Confident61 Ų6153.8 Ų53.827%0.26830%0.303SS..  trans-82.3155.4-174.4-63.1-74.3000112.3R522 A523 S530 F561 A752 S753R522-F532 WeakPolarHBondContact CA-O 3.35Å; A523-F532 PolarHBondContact N-O 3.11Å; S530-F532 PolarHBondContact OG-N 3.23Å; F532-F561 HydrophobicContact CD1-CB 4.42Å; F532-F561 AromaticContact CD1-CD1 3.39Å; F532-F561 HydrophobicContact CD1-CD1 3.39Å; F532-F561 HydrophobicContact CD1-CD2 4.11Å; F532-F561 AromaticContact CD1-CE1 3.55Å; F532-F561 HydrophobicContact CD1-CE1 3.55Å; F532-F561 HydrophobicContact CD1-CE2 4.24Å; F532-F561 AromaticContact CD1-CG 3.7Å; F532-F561 HydrophobicContact CD1-CG 3.7Å; F532-F561 AromaticContact CD1-CZ 3.97Å; F532-F561 HydrophobicContact CD1-CZ 3.97Å; F532-F561 AromaticContact CE1-CD1 3.73Å; F532-F561 HydrophobicContact CE1-CD1 3.73Å; F532-F561 HydrophobicContact CE1-CD2 4.44Å; F532-F561 AromaticContact CE1-CE1 3.33Å; F532-F561 HydrophobicContact CE1-CE1 3.33Å; F532-F561 HydrophobicContact CE1-CE2 4.1Å; F532-F561 HydrophobicContact CE1-CG 4.27Å; F532-F561 AromaticContact CE1-CZ 3.53Å; F532-F561 HydrophobicContact CE1-CZ 3.53Å; F532-F561 HydrophobicContact CZ-CZ 4.43Å; F532-A752 VanDerWaalsContact CB-O 3.31Å; F532-A752 WeakPolarHBondContact CB-O 3.14Å; F532-S753 WeakPolarHBondContact CB-OG 3.33Å
533G56.2Low74.6Confident0 Ų049.5 Ų49.50%029%0.288CS..BIsolated β-bridgetrans-105.6173.3-168.700000117.1A521 S753A521-G533 WeakPolarHBondContact O-CA 3.2Å; G533-S753 PolarHBondContact N-OG 2.87Å; G533-S753 PolarHBondContact O-N 3.35Å; G533-S753 PolarHBondContact O-OG 2.95Å
534D49.4Very low75.2Confident17 Ų1751.6 Ų51.69%0.09130%0.295CS..  trans-124.7-29.6-169.6-58.6-53.3000116.8A521 A523 S665 R716 A752A521-D534 HydrophobicContact CB-CB 4.19Å; A521-D534 PolarHBondContact O-N 3.11Å; A523-D534 PolarHBondContact N-OD2 3.2Å; D534-S665 PolarHBondContact O-OG 3.25Å; D534-R716 HydrophobicContact CB-CG 4.12Å; D534-R716 WeakPolarHBondContact O-CD 3.3Å; D534-R716 PolarHBondContact O-NE 3.34Å; D534-R716 PolarHBondContact O-NH1 2.8Å; D534-R716 IonicContact OD1-NE 3.15Å; D534-A752 PolarHBondContact OD1-N 3.15Å
535H46.3Very low75.7Confident35 Ų3548.8 Ų48.816%0.16228%0.278CS..  trans-150142.6-173.3-60.5-80.8000114.5F558 D559 M663H535-F558 CarbonylContact O-C 3.5Å; H535-F558 WeakPolarHBondContact O-CA 3.45Å; H535-D559 WeakPolarHBondContact O-CA 3.31Å; H535-D559 VanDerWaalsContact O-CB 3.22Å; H535-D559 WeakPolarHBondContact O-CB 3.45Å; H535-D559 PolarHBondContact O-N 3.04Å; H535-M663 PolarHBondContact ND1-O 2.7Å
536I41.3Very low76.4Confident59 Ų5946.8 Ų46.830%0.30326%0.264SS..  trans-106.4144.3170.5-62.2174.5000110.6D559I536-D559 HydrophobicContact CB-CB 4.39Å; I536-D559 HydrophobicContact CD1-CB 4.29Å; I536-D559 HydrophobicContact CG1-CB 3.33Å
537M48Very low76.8Confident41 Ų4141.2 Ų41.220%0.20223%0.229CC..  trans-147.6131.7167.4-69.3-174.471.200114.2L539 H690M537-L539 HydrophobicContact CE-CB 4.47Å; M537-L539 HydrophobicContact CE-CD1 4.07Å; M537-H690 HydrophobicContact CE-CB 4.38Å; M537-H690 VanDerWaalsContact CE-O 3.27Å; M537-H690 WeakPolarHBondContact CE-O 3.39Å
538D63.3Low77.3Confident95 Ų9536.9 Ų36.951%0.50821%0.206SC..SBendtrans-87.41.1179.2-163.517.1000113.7S540 R641D538-S540 VanDerWaalsContact C-N 3.32Å; D538-S540 PolarHBondContact O-N 3.17Å; D538-R641 IonicContact OD2-CZ 3.65Å; D538-R641 IonicContact OD2-NH1 3.51Å; D538-R641 PolarHBondContact OD2-NH1 3.24Å
539L81.4Confident77.9Confident12 Ų1236 Ų366%0.06319%0.192CC..  trans-91.621.1-171-64.5176.3000114.7M537 A541 V542 A543 M634 Y645 H690M537-L539 HydrophobicContact CE-CB 4.47Å; M537-L539 HydrophobicContact CE-CD1 4.07Å; L539-A541 VanDerWaalsContact C-N 3.26Å; L539-A541 PolarHBondContact O-N 3.05Å; L539-V542 HydrophobicContact CB-CB 4.34Å; L539-V542 HydrophobicContact CD2-CG2 4.05Å; L539-V542 WeakPolarHBondContact O-CB 3.36Å; L539-V542 PolarHBondContact O-N 3.37Å; L539-A543 PolarHBondContact O-N 3.16Å; L539-A543 VanDerWaalsContact O-N 3.14Å; L539-M634 HydrophobicContact CD1-CE 3.51Å; L539-Y645 HydrophobicContact CD2-CD1 4.11Å; L539-Y645 HydrophobicContact CD2-CD2 3.89Å; L539-Y645 HydrophobicContact CD2-CE1 4.39Å; L539-Y645 HydrophobicContact CD2-CE2 4.16Å; L539-Y645 HydrophobicContact CD2-CG 3.87Å; L539-H690 HydrophobicContact CD1-CB 3.97Å
540S88.4Confident78.5Confident40 Ų4029.9 Ų29.928%0.2816%0.161SC..Hα-helixtrans-56.7-38.3-176.4-70.90000112.7D538 V542 A543 H544 N556D538-S540 VanDerWaalsContact C-N 3.32Å; D538-S540 PolarHBondContact O-N 3.17Å; S540-V542 PolarHBondContact O-N 3.25Å; S540-A543 PolarHBondContact O-N 3.12Å; S540-H544 PolarHBondContact O-CD2 2.61Å; S540-H544 VanDerWaalsContact O-CD2 3.3Å; S540-H544 PolarHBondContact O-N 3.5Å; S540-N556 PolarHBondContact OG-ND2 3.11Å
541A90.2Very high79.3Confident24 Ų2432 Ų3220%0.19817%0.165CC..Hα-helixtrans-63.8-39.9176.500000112.4L539 A543 H544 L545 L578L539-A541 VanDerWaalsContact C-N 3.26Å; L539-A541 PolarHBondContact O-N 3.05Å; A541-A543 VanDerWaalsContact C-N 3.33Å; A541-A543 PolarHBondContact O-N 2.65Å; A541-H544 PolarHBondContact O-N 3.24Å; A541-L545 WeakPolarHBondContact O-CB 3.3Å; A541-L545 VanDerWaalsContact O-CG 3.27Å; A541-L545 WeakPolarHBondContact O-CG 3.5Å; A541-L545 PolarHBondContact O-N 2.97Å; A541-L578 HydrophobicContact CB-CD2 3.83Å
542V94.4Very high80.6Confident5 Ų528.7 Ų28.73%0.0315%0.147CC..Hα-helixtrans-61.2-43.3176174.40000110.3L539 S540 H544 L545 A546 V630 M634 I637L539-V542 HydrophobicContact CB-CB 4.34Å; L539-V542 HydrophobicContact CD2-CG2 4.05Å; L539-V542 WeakPolarHBondContact O-CB 3.36Å; L539-V542 PolarHBondContact O-N 3.37Å; S540-V542 PolarHBondContact O-N 3.25Å; V542-H544 PolarHBondContact O-N 3.03Å; V542-L545 PolarHBondContact O-N 3.11Å; V542-A546 WeakPolarHBondContact O-CB 3.33Å; V542-A546 PolarHBondContact O-N 2.91Å; V542-V630 HydrophobicContact CG1-CG1 3.87Å; V542-M634 HydrophobicContact CG1-CG 4.15Å; V542-M634 HydrophobicContact CG2-CG 4.31Å; V542-I637 HydrophobicContact CG2-CG1 3.95Å
543A95.2Very high82Confident6 Ų627.2 Ų27.25%0.0514%0.144CC..Hα-helixtrans-59.1-44.817800000112.3V516 L539 S540 A541 S547 F554 N556V516-A543 HydrophobicContact CG1-CB 4.26Å; V516-A543 HydrophobicContact CG2-CB 4.21Å; L539-A543 PolarHBondContact O-N 3.16Å; L539-A543 VanDerWaalsContact O-N 3.14Å; S540-A543 PolarHBondContact O-N 3.12Å; A541-A543 VanDerWaalsContact C-N 3.33Å; A541-A543 PolarHBondContact O-N 2.65Å; A543-S547 WeakPolarHBondContact O-CB 3.46Å; A543-S547 PolarHBondContact O-N 3.5Å; A543-F554 HydrophobicContact CB-CB 4.16Å; A543-F554 HydrophobicContact CB-CD1 4.11Å; A543-F554 HydrophobicContact CB-CG 4.27Å; A543-N556 HydrophobicContact CB-CB 4.29Å
544H95.3Very high83.9Confident61 Ų6128.5 Ų28.528%0.28215%0.15SC..Hα-helixtrans-65.7-48.2177.3-81.2-81.1000112.4V516 H518 S540 A541 V542 S547 I548V516-H544 HydrophobicContact CG2-CB 4.24Å; V516-H544 WeakPolarHBondContact CG2-ND1 3.18Å; H518-H544 AromaticContact CD2-NE2 3.97Å; H518-H544 AromaticContact CE1-NE2 3.63Å; H518-H544 AromaticContact NE2-CD2 3.77Å; H518-H544 AromaticContact NE2-CE1 3.84Å; H518-H544 AromaticContact NE2-NE2 2.87Å; H518-H544 PolarHBondContact NE2-NE2 3.06Å; S540-H544 PolarHBondContact O-CD2 2.61Å; S540-H544 VanDerWaalsContact O-CD2 3.3Å; S540-H544 PolarHBondContact O-N 3.5Å; A541-H544 PolarHBondContact O-N 3.24Å; V542-H544 PolarHBondContact O-N 3.03Å; H544-S547 PolarHBondContact O-N 3.16Å; H544-I548 WeakPolarHBondContact O-CG1 3.41Å; H544-I548 PolarHBondContact O-N 3.01Å; H544-I548 VanDerWaalsContact O-N 3.08Å
545L96.2Very high86Confident9 Ų932.2 Ų32.25%0.04717%0.168CC..Hα-helixtrans-64.9-44.2-178.3-69.8168000111.8A541 V542 I548 E549 M581 M582 Y633A541-L545 WeakPolarHBondContact O-CB 3.3Å; A541-L545 VanDerWaalsContact O-CG 3.27Å; A541-L545 WeakPolarHBondContact O-CG 3.5Å; A541-L545 PolarHBondContact O-N 2.97Å; V542-L545 PolarHBondContact O-N 3.11Å; L545-I548 PolarHBondContact O-N 2.8Å; L545-E549 PolarHBondContact O-N 2.98Å; L545-E549 VanDerWaalsContact O-N 3.12Å; L545-M581 HydrophobicContact CD1-CB 3.87Å; L545-M581 HydrophobicContact CD1-SD 4.37Å; L545-M581 HydrophobicContact CD2-CB 4.41Å; L545-M582 HydrophobicContact CD2-CE 3.94Å; L545-M582 HydrophobicContact CD2-SD 4.26Å; L545-Y633 HydrophobicContact CB-CD1 3.62Å; L545-Y633 HydrophobicContact CB-CD2 3.98Å; L545-Y633 HydrophobicContact CB-CE1 3.6Å; L545-Y633 HydrophobicContact CB-CE2 3.99Å; L545-Y633 HydrophobicContact CB-CG 3.82Å; L545-Y633 HydrophobicContact CD1-CD1 3.67Å; L545-Y633 HydrophobicContact CD1-CE1 3.99Å; L545-Y633 HydrophobicContact CD1-CG 4.4Å; L545-Y633 HydrophobicContact CD2-CE1 4.19Å; L545-Y633 HydrophobicContact CG-CD1 4.18Å; L545-Y633 HydrophobicContact CG-CE1 4.14Å
546A97.4Very high88.2Confident0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-67.6-38.4176.600000111.8V542 I548 E549 G550 F554 M626 I629 V630 Y633V542-A546 WeakPolarHBondContact O-CB 3.33Å; V542-A546 PolarHBondContact O-N 2.91Å; A546-I548 PolarHBondContact O-N 3.45Å; A546-E549 PolarHBondContact O-N 3.18Å; A546-G550 PolarHBondContact O-N 3.13Å; A546-F554 HydrophobicContact CB-CE2 4.11Å; A546-F554 HydrophobicContact CB-CZ 3.89Å; A546-M626 HydrophobicContact CB-SD 4.38Å; A546-I629 HydrophobicContact CB-CG2 4Å; A546-V630 HydrophobicContact CB-CG2 3.87Å; A546-Y633 HydrophobicContact CB-CD2 4.21Å
547S97.5Very high90.5Very high2 Ų231.5 Ų31.51%0.01416%0.162CC..Hα-helixtrans-58.9-47.3175.3-176.20000111.5P514 T515 A543 H544 R551 L552P514-S547 VanDerWaalsContact CA-OG 3.27Å; P514-S547 WeakPolarHBondContact CA-OG 3.46Å; P514-S547 VanDerWaalsContact CB-O 3.29Å; P514-S547 WeakPolarHBondContact CB-O 3.37Å; T515-S547 PolarHBondContact N-OG 3.35Å; T515-S547 PolarHBondContact O-OG 3Å; A543-S547 WeakPolarHBondContact O-CB 3.46Å; A543-S547 PolarHBondContact O-N 3.5Å; H544-S547 PolarHBondContact O-N 3.16Å; S547-R551 VanDerWaalsContact O-CA 3.31Å; S547-R551 WeakPolarHBondContact O-CA 3.46Å; S547-R551 PolarHBondContact O-N 3.42Å; S547-L552 WeakPolarHBondContact CA-O 3.22Å; S547-L552 WeakPolarHBondContact CB-O 3.44Å; S547-L552 PolarHBondContact O-N 3.07Å; S547-L552 PolarHBondContact OG-O 3.07Å
548I97.4Very high91.9Very high8 Ų832.1 Ų32.14%0.04116%0.164CC..Hα-helixtrans-63.8-46.8179.5-67.5166.7000111.4L488 P514 H544 L545 A546 M582 A586 L587L488-I548 HydrophobicContact CD1-CD1 4.13Å; L488-I548 HydrophobicContact CD2-CD1 4.18Å; L488-I548 HydrophobicContact CD2-CG1 4.14Å; P514-I548 HydrophobicContact CB-CG1 4.36Å; H544-I548 WeakPolarHBondContact O-CG1 3.41Å; H544-I548 PolarHBondContact O-N 3.01Å; H544-I548 VanDerWaalsContact O-N 3.08Å; L545-I548 PolarHBondContact O-N 2.8Å; A546-I548 PolarHBondContact O-N 3.45Å; I548-M582 HydrophobicContact CD1-CE 3.99Å; I548-M582 HydrophobicContact CD1-SD 3.92Å; I548-A586 HydrophobicContact CG2-CB 3.96Å; I548-L587 HydrophobicContact CG2-CB 4.23Å
549E97.8Very high92.4Very high43 Ų4327.7 Ų27.720%0.20114%0.14CC..Hα-helixtrans-68.9-48-179-178.1162.8148.500112.4L545 A546 N583 I629 K632 Y633L545-E549 PolarHBondContact O-N 2.98Å; L545-E549 VanDerWaalsContact O-N 3.12Å; A546-E549 PolarHBondContact O-N 3.18Å; E549-N583 PolarHBondContact OE2-ND2 2.78Å; E549-I629 HydrophobicContact CB-CG2 3.97Å; E549-I629 HydrophobicContact CG-CD1 4.35Å; E549-I629 HydrophobicContact CG-CG2 4.01Å; E549-K632 IonicContact OE1-NZ 2.71Å; E549-K632 PolarHBondContact OE1-NZ 2.96Å; E549-K632 IonicContact OE2-NZ 3.35Å; E549-K632 PolarHBondContact OE2-NZ 2.68Å; E549-Y633 HydrophobicContact CB-CE2 4.08Å; E549-Y633 WeakPolarHBondContact OE2-CE2 3.43Å; E549-Y633 PolarHBondContact OE2-OH 2.76Å
550G97Very high91.7Very high5 Ų527.2 Ų27.25%0.05214%0.138CC..Hα-helixtrans-86.3-3.9-176.100000115A546 L552A546-G550 PolarHBondContact O-N 3.13Å; G550-L552 VanDerWaalsContact C-N 3.26Å; G550-L552 PolarHBondContact O-N 2.63Å
551R96.2Very high90.8Very high74 Ų7426.7 Ų26.728%0.27913%0.131SC..THydrogen-bonded Turntrans56.535.5175.5-51.7-176.1-175.6176.42.8114.3L512 S547 Y622L512-R551 CarbonylContact C-O 3.09Å; L512-R551 WeakPolarHBondContact CA-O 3.09Å; L512-R551 HydrophobicContact CB-CB 4.29Å; S547-R551 VanDerWaalsContact O-CA 3.31Å; S547-R551 WeakPolarHBondContact O-CA 3.46Å; S547-R551 PolarHBondContact O-N 3.42Å; R551-Y622 HydrophobicContact CB-CD1 4.46Å; R551-Y622 HydrophobicContact CB-CE1 4.46Å
552L96.6Very high89.8Confident5 Ų527.4 Ų27.43%0.02613%0.129CC..  trans-126.8145.8174.9-69.5175.7000110.1L512 S547 G550 V619 Y623 M626L512-L552 HydrophobicContact CD2-CD2 3.94Å; S547-L552 WeakPolarHBondContact CA-O 3.22Å; S547-L552 WeakPolarHBondContact CB-O 3.44Å; S547-L552 PolarHBondContact O-N 3.07Å; S547-L552 PolarHBondContact OG-O 3.07Å; G550-L552 VanDerWaalsContact C-N 3.26Å; G550-L552 PolarHBondContact O-N 2.63Å; L552-V619 HydrophobicContact CD2-CG2 4.5Å; L552-Y623 HydrophobicContact CD1-CD1 3.9Å; L552-Y623 HydrophobicContact CD1-CD2 4.03Å; L552-Y623 HydrophobicContact CD1-CE1 3.92Å; L552-Y623 HydrophobicContact CD1-CE2 4.05Å; L552-Y623 HydrophobicContact CD1-CG 3.96Å; L552-Y623 HydrophobicContact CD2-CE2 4.02Å; L552-M626 HydrophobicContact CB-CE 3.76Å; L552-M626 HydrophobicContact CD1-CE 3.74Å; L552-M626 HydrophobicContact CG-CE 4.02Å
553P96.9Very high88.6Confident31 Ų3130.1 Ų30.120%0.20115%0.146CC..  trans-70.4146.3173.130.7-35.5000111.1I508 A509 T515I508-P553 HydrophobicContact CG2-CB 3.81Å; I508-P553 HydrophobicContact CG2-CG 3.95Å; A509-P553 HydrophobicContact CB-CG 3.73Å; T515-P553 HydrophobicContact CG2-CB 3.62Å; T515-P553 CarbonylContact O-C 3.55Å; T515-P553 VanDerWaalsContact O-CA 3.25Å; T515-P553 WeakPolarHBondContact O-CA 3.29Å
554F96.3Very high87.3Confident27 Ų2733.8 Ų33.812%0.11817%0.171CC..EExtended strand (participates in β ladder)trans-110.7142.6173.6-87.4-109000111.1T515 V516 F517 A543 A546 M626 V630 L691T515-F554 PolarHBondContact O-N 3.44Å; V516-F554 CarbonylContact C-O 3.53Å; V516-F554 WeakPolarHBondContact CA-O 3.5Å; V516-F554 HydrophobicContact CG1-CB 4.48Å; V516-F554 HydrophobicContact CG2-CB 4.31Å; F517-F554 PolarHBondContact N-O 3.23Å; A543-F554 HydrophobicContact CB-CB 4.16Å; A543-F554 HydrophobicContact CB-CD1 4.11Å; A543-F554 HydrophobicContact CB-CG 4.27Å; A546-F554 HydrophobicContact CB-CE2 4.11Å; A546-F554 HydrophobicContact CB-CZ 3.89Å; F554-M626 HydrophobicContact CE2-CE 4.02Å; F554-M626 HydrophobicContact CE2-CG 4.41Å; F554-M626 HydrophobicContact CE2-SD 3.66Å; F554-M626 HydrophobicContact CZ-CE 4.45Å; F554-M626 HydrophobicContact CZ-CG 3.96Å; F554-M626 HydrophobicContact CZ-SD 3.54Å; F554-M626 VanDerWaalsContact CZ-SD 3.54Å; F554-V630 HydrophobicContact CE1-CG2 3.92Å; F554-V630 HydrophobicContact CZ-CG2 3.64Å; F554-L691 HydrophobicContact CE1-CD1 4.34Å
555M94Very high86.4Confident95 Ų9533.3 Ų33.347%0.46817%0.169SC..EExtended strand (participates in β ladder)trans-98.8119.2158.5-67.2-177.7-7200107.7L498 M505 F517 F557L498-M555 HydrophobicContact CD1-SD 4.43Å; L498-M555 HydrophobicContact CD2-SD 4.1Å; M505-M555 HydrophobicContact CE-CE 4.35Å; M505-M555 HydrophobicContact CE-CG 3.86Å; M505-M555 HydrophobicContact CE-SD 3.34Å; M505-M555 WeakPolarHBondContact CE-SD 3.45Å; F517-M555 HydrophobicContact CB-CG 4.47Å; M555-F557 HydrophobicContact CB-CD2 4.36Å; M555-F557 HydrophobicContact CB-CE2 3.76Å; M555-F557 HydrophobicContact CB-CZ 4.38Å; M555-F557 HydrophobicContact SD-CE2 4.36Å; M555-F557 HydrophobicContact SD-CZ 4.29Å
556N92.2Very high85.8Confident9 Ų934.1 Ų34.15%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-110.6103.5178.6178.188.1000109.2V516 F517 H518 V519 S540 A543V516-N556 HydrophobicContact CG1-CB 3.71Å; F517-N556 PolarHBondContact O-N 3.5Å; H518-N556 PolarHBondContact ND1-ND2 3.44Å; V519-N556 PolarHBondContact N-O 2.89Å; S540-N556 PolarHBondContact OG-ND2 3.11Å; A543-N556 HydrophobicContact CB-CB 4.29Å
557F87.9Confident85.2Confident69 Ų6936.4 Ų36.430%0.30318%0.184SC..EExtended strand (participates in β ladder)trans-84.6136.5179.8-68.5-88.6000111.4L498 V519 A521 M555L498-F557 HydrophobicContact CD2-CE1 4.28Å; L498-F557 HydrophobicContact CD2-CZ 4.08Å; V519-F557 HydrophobicContact CB-CD1 3.73Å; V519-F557 HydrophobicContact CB-CE1 3.8Å; V519-F557 HydrophobicContact CB-CG 4.4Å; V519-F557 HydrophobicContact CG1-CD1 3.81Å; V519-F557 HydrophobicContact CG1-CE1 3.62Å; V519-F557 HydrophobicContact CG2-CE1 4.28Å; V519-F557 WeakPolarHBondContact O-CA 3.45Å; A521-F557 HydrophobicContact CB-CD1 4.4Å; M555-F557 HydrophobicContact CB-CD2 4.36Å; M555-F557 HydrophobicContact CB-CE2 3.76Å; M555-F557 HydrophobicContact CB-CZ 4.38Å; M555-F557 HydrophobicContact SD-CE2 4.36Å; M555-F557 HydrophobicContact SD-CZ 4.29Å
558F79.1Confident84.5Confident55 Ų5541.1 Ų41.124%0.24121%0.206CC..EExtended strand (participates in β ladder)trans-150.5168.9175.368.2-82.2000110.1H518 V519 A520 A521 H535 G560H518-F558 HydrophobicContact CB-CE1 3.9Å; V519-F558 VanDerWaalsContact C-CE1 3.49Å; V519-F558 WeakPolarHBondContact O-CD1 3.43Å; V519-F558 PolarHBondContact O-N 3Å; A520-F558 CarbonylContact C-O 3.56Å; A520-F558 WeakPolarHBondContact CA-O 3.5Å; A520-F558 HydrophobicContact CB-CE2 4.2Å; A520-F558 HydrophobicContact CB-CZ 3.97Å; A521-F558 PolarHBondContact N-O 3.15Å; H535-F558 CarbonylContact O-C 3.5Å; H535-F558 WeakPolarHBondContact O-CA 3.45Å; F558-G560 PolarHBondContact O-N 2.9Å
559D73.5Confident83.7Confident1 Ų145.5 Ų45.51%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-88.3115-160.2-171-33.5000106.7H535 I536 F561 R562 T563H535-D559 WeakPolarHBondContact O-CA 3.31Å; H535-D559 VanDerWaalsContact O-CB 3.22Å; H535-D559 WeakPolarHBondContact O-CB 3.45Å; H535-D559 PolarHBondContact O-N 3.04Å; I536-D559 HydrophobicContact CB-CB 4.39Å; I536-D559 HydrophobicContact CD1-CB 4.29Å; I536-D559 HydrophobicContact CG1-CB 3.33Å; D559-F561 PolarHBondContact OD1-N 3.28Å; D559-F561 VanDerWaalsContact OD1-N 3.11Å; D559-R562 HydrophobicContact CB-CB 4.46Å; D559-R562 VanDerWaalsContact CG-CB 3.5Å; D559-R562 PolarHBondContact OD1-N 3.3Å; D559-R562 VanDerWaalsContact OD2-CB 3.26Å; D559-R562 WeakPolarHBondContact OD2-CB 3.46Å; D559-T563 VanDerWaalsContact O-CB 3.23Å; D559-T563 WeakPolarHBondContact O-CB 3.31Å; D559-T563 PolarHBondContact O-OG1 3.29Å
560G66.4Low82.8Confident2 Ų249.3 Ų49.32%0.02125%0.245CC..SBendtrans-66.7-47.9-17500000112.3A521 F558 S564A521-G560 PolarHBondContact O-N 3.18Å; F558-G560 PolarHBondContact O-N 2.9Å; G560-S564 WeakPolarHBondContact O-CB 3.41Å; G560-S564 PolarHBondContact O-OG 3.22Å
561F69.3Low81.8Confident30 Ų3055.6 Ų55.613%0.13227%0.273CS..SBendtrans-93.3-46.1-167.2-167.1-85.5000111.8I531 F532 D559 S564 H565I531-F561 HydrophobicContact CD1-CD2 4.36Å; I531-F561 HydrophobicContact CD1-CE2 3.77Å; I531-F561 HydrophobicContact CG1-CD2 4.25Å; I531-F561 HydrophobicContact CG1-CE2 4.07Å; F532-F561 HydrophobicContact CD1-CB 4.42Å; F532-F561 AromaticContact CD1-CD1 3.39Å; F532-F561 HydrophobicContact CD1-CD1 3.39Å; F532-F561 HydrophobicContact CD1-CD2 4.11Å; F532-F561 AromaticContact CD1-CE1 3.55Å; F532-F561 HydrophobicContact CD1-CE1 3.55Å; F532-F561 HydrophobicContact CD1-CE2 4.24Å; F532-F561 AromaticContact CD1-CG 3.7Å; F532-F561 HydrophobicContact CD1-CG 3.7Å; F532-F561 AromaticContact CD1-CZ 3.97Å; F532-F561 HydrophobicContact CD1-CZ 3.97Å; F532-F561 AromaticContact CE1-CD1 3.73Å; F532-F561 HydrophobicContact CE1-CD1 3.73Å; F532-F561 HydrophobicContact CE1-CD2 4.44Å; F532-F561 AromaticContact CE1-CE1 3.33Å; F532-F561 HydrophobicContact CE1-CE1 3.33Å; F532-F561 HydrophobicContact CE1-CE2 4.1Å; F532-F561 HydrophobicContact CE1-CG 4.27Å; F532-F561 AromaticContact CE1-CZ 3.53Å; F532-F561 HydrophobicContact CE1-CZ 3.53Å; F532-F561 HydrophobicContact CZ-CZ 4.43Å; D559-F561 PolarHBondContact OD1-N 3.28Å; D559-F561 VanDerWaalsContact OD1-N 3.11Å; F561-S564 PolarHBondContact O-N 2.95Å; F561-H565 AromaticContact CD1-ND1 3.79Å; F561-H565 AromaticContact CD2-CE1 3.91Å; F561-H565 AromaticContact CE1-CE1 3.94Å; F561-H565 AromaticContact CE1-ND1 3.61Å; F561-H565 AromaticContact CE2-CE1 3.51Å; F561-H565 AromaticContact CE2-ND1 3.95Å; F561-H565 AromaticContact CZ-CE1 3.54Å; F561-H565 AromaticContact CZ-ND1 3.71Å; F561-H565 PolarHBondContact O-N 3.39Å; F561-H565 PolarHBondContact O-ND1 3.41Å
562R70.5Confident81.1Confident39 Ų3957.7 Ų57.715%0.14729%0.294CS..THydrogen-bonded Turntrans-66.8-49.4-174.8-167.9172.1-176.2133.811111D559 S564 H565 E566 D755 Y840 T866D559-R562 HydrophobicContact CB-CB 4.46Å; D559-R562 VanDerWaalsContact CG-CB 3.5Å; D559-R562 PolarHBondContact OD1-N 3.3Å; D559-R562 VanDerWaalsContact OD2-CB 3.26Å; D559-R562 WeakPolarHBondContact OD2-CB 3.46Å; R562-S564 VanDerWaalsContact C-N 3.28Å; R562-S564 PolarHBondContact O-N 2.96Å; R562-H565 CarbonylContact O-C 3.6Å; R562-H565 PolarHBondContact O-N 3.05Å; R562-E566 WeakPolarHBondContact O-CB 3.3Å; R562-E566 PolarHBondContact O-N 3.38Å; R562-D755 IonicContact NH1-OD1 2.67Å; R562-Y840 HydrophobicContact CG-CD1 4.05Å; R562-Y840 HydrophobicContact CG-CE1 3.84Å; R562-Y840 VanDerWaalsContact NH2-CZ 3.25Å; R562-T866 PolarHBondContact NH1-O 3.36Å; R562-T866 VanDerWaalsContact NH2-C 3.31Å; R562-T866 PolarHBondContact NH2-O 3.47Å
563T67.7Low80.4Confident62 Ų6258.9 Ų58.938%0.3830%0.3SS..G310 helixtrans-59.8-37177.6-550000112.3D559 H565 E566D559-T563 VanDerWaalsContact O-CB 3.23Å; D559-T563 WeakPolarHBondContact O-CB 3.31Å; D559-T563 PolarHBondContact O-OG1 3.29Å; T563-H565 PolarHBondContact O-N 3.43Å; T563-E566 PolarHBondContact O-N 2.85Å
564S67.9Low79.9Confident82 Ų8261.7 Ų61.757%0.57331%0.313SS*.G310 helixtrans-68.8-20.2177.3-59.70000114G560 F561 R562G560-S564 WeakPolarHBondContact O-CB 3.41Å; G560-S564 PolarHBondContact O-OG 3.22Å; F561-S564 PolarHBondContact O-N 2.95Å; R562-S564 VanDerWaalsContact C-N 3.28Å; R562-S564 PolarHBondContact O-N 2.96Å
565H77.6Confident79.3Confident52 Ų5263.7 Ų63.724%0.24132%0.32CS..G310 helixtrans-119.424.4180-56.986.3000112F561 R562 T563 F841 Y843F561-H565 AromaticContact CD1-ND1 3.79Å; F561-H565 AromaticContact CD2-CE1 3.91Å; F561-H565 AromaticContact CE1-CE1 3.94Å; F561-H565 AromaticContact CE1-ND1 3.61Å; F561-H565 AromaticContact CE2-CE1 3.51Å; F561-H565 AromaticContact CE2-ND1 3.95Å; F561-H565 AromaticContact CZ-CE1 3.54Å; F561-H565 AromaticContact CZ-ND1 3.71Å; F561-H565 PolarHBondContact O-N 3.39Å; F561-H565 PolarHBondContact O-ND1 3.41Å; R562-H565 CarbonylContact O-C 3.6Å; R562-H565 PolarHBondContact O-N 3.05Å; T563-H565 PolarHBondContact O-N 3.43Å; H565-F841 WeakPolarHBondContact O-CD2 3.33Å; H565-F841 PolarHBondContact O-N 2.84Å; H565-Y843 HydrophobicContact CB-CE2 4.32Å; H565-Y843 AromaticContact CD2-CD2 3.85Å; H565-Y843 AromaticContact CD2-CE2 3.33Å; H565-Y843 WeakPolarHBondContact CD2-CE2 3.35Å
566E82.7Confident79.1Confident26 Ų2664.6 Ų64.612%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-111.6148172.5-178.2172.2-162.100109.8R562 T563 Q568 Q838 A839 Y840R562-E566 WeakPolarHBondContact O-CB 3.3Å; R562-E566 PolarHBondContact O-N 3.38Å; T563-E566 PolarHBondContact O-N 2.85Å; E566-Q568 HydrophobicContact CG-CB 4.48Å; E566-Q838 WeakPolarHBondContact OE1-CG 3.49Å; E566-Q838 PolarHBondContact OE1-NE2 2.87Å; E566-A839 CarbonylContact C-O 3.39Å; E566-A839 WeakPolarHBondContact CA-O 3.44Å; E566-Y840 HydrophobicContact CB-CD1 3.87Å; E566-Y840 HydrophobicContact CB-CE1 3.91Å; E566-Y840 HydrophobicContact CG-CD1 3.84Å; E566-Y840 HydrophobicContact CG-CE1 3.58Å; E566-Y840 VanDerWaalsContact OE1-CE1 3.22Å; E566-Y840 WeakPolarHBondContact OE1-CE1 3.5Å; E566-Y840 PolarHBondContact OE1-OH 2.89Å; E566-Y840 VanDerWaalsContact OE2-CE1 3.3Å; E566-Y840 WeakPolarHBondContact OE2-CE1 3.25Å
567L84.9Confident79.1Confident48 Ų4867.2 Ų67.225%0.25134%0.341SS..EExtended strand (participates in β ladder)trans-121.1123.9161.9-72.8174.3000107.9K823 I826 K827 Q838 A839 F841L567-K823 HydrophobicContact CD1-CB 3.89Å; L567-K823 HydrophobicContact CD1-CD 4.28Å; L567-K823 HydrophobicContact CD1-CG 3.69Å; L567-I826 HydrophobicContact CB-CG2 4.2Å; L567-I826 HydrophobicContact CD1-CG2 3.72Å; L567-K827 HydrophobicContact CD1-CG 4.46Å; L567-Q838 CarbonylContact O-C 3.44Å; L567-Q838 VanDerWaalsContact O-CA 3.28Å; L567-Q838 WeakPolarHBondContact O-CA 3.21Å; L567-A839 HydrophobicContact CB-CB 4.4Å; L567-A839 PolarHBondContact N-O 3.47Å; L567-A839 PolarHBondContact O-N 2.97Å; L567-F841 HydrophobicContact CD1-CE2 3.99Å; L567-F841 HydrophobicContact CD1-CZ 4.27Å; L567-F841 HydrophobicContact CG-CE2 4.13Å
568Q83.4Confident79.1Confident101 Ų10165.8 Ų65.847%0.47234%0.336SS..EExtended strand (participates in β ladder)trans-137146.1176.2-165.5178.22.700109.6E566 I570 A837E566-Q568 HydrophobicContact CG-CB 4.48Å; Q568-I570 HydrophobicContact CB-CG2 4.33Å; Q568-I570 PolarHBondContact O-N 3.25Å; Q568-A837 WeakPolarHBondContact CA-O 2.89Å
569K80.1Confident79.7Confident100 Ų10067.7 Ų67.744%0.43534%0.344SS..  trans-71.3118165.5-169.5170.8-174.7166.50108.1G830 T833 A837K569-G830 PolarHBondContact NZ-O 2.85Å; K569-T833 PolarHBondContact NZ-O 2.87Å; K569-A837 PolarHBondContact N-O 3.34Å
570I78.9Confident80.7Confident122 Ų12271.5 Ų71.563%0.62638%0.376SS*.  trans-119.1151.6-179.164.2170.9000110.6Q568 V572Q568-I570 HydrophobicContact CB-CG2 4.33Å; Q568-I570 PolarHBondContact O-N 3.25Å; I570-V572 HydrophobicContact CD1-CG2 4.02Å; I570-V572 HydrophobicContact CG1-CG2 4.14Å
571E77Confident82Confident137 Ų13772.1 Ų72.164%0.6438%0.379SS*.  trans-92.5137.5164.6-63.3172.4168.100108.9R641E571-R641 IonicContact OE2-CZ 2.74Å; E571-R641 IonicContact OE2-NE 2.79Å; E571-R641 IonicContact OE2-NH2 2.81Å; E571-R641 PolarHBondContact OE2-NH2 2.99Å
572V80.3Confident83.2Confident118 Ų11871.5 Ų71.572%0.71538%0.377SS*.  trans-115.1138.3-178.9-176.40000108.8I570I570-V572 HydrophobicContact CD1-CG2 4.02Å; I570-V572 HydrophobicContact CG1-CG2 4.14Å
573I82Confident84.5Confident31 Ų3171.6 Ų71.616%0.15938%0.38CS..  trans-73.7132.9176.1-55.4170.2000109.5D577 L578 I637 L640I573-D577 HydrophobicContact CG2-CB 3.99Å; I573-L578 HydrophobicContact CB-CD2 4.41Å; I573-L578 HydrophobicContact CB-CG 4.36Å; I573-L578 HydrophobicContact CD1-CD2 4.41Å; I573-L578 HydrophobicContact CG2-CD2 3.86Å; I573-L578 HydrophobicContact CG2-CG 3.74Å; I573-I637 HydrophobicContact CD1-CD1 3.72Å; I573-L640 HydrophobicContact CG2-CD2 3.84Å
574D85.6Confident85.8Confident89 Ų8974.3 Ų74.348%0.47638%0.383SS..  trans-66.7150.5176.4-164.4-81000111.9D576 D577 L578D574-D576 VanDerWaalsContact C-N 3.3Å; D574-D576 PolarHBondContact O-N 2.92Å; D574-D576 WeakPolarHBondContact OD1-CB 3.19Å; D574-D576 PolarHBondContact OD1-N 2.76Å; D574-D577 HydrophobicContact CB-CB 4.48Å; D574-D577 PolarHBondContact O-N 2.93Å; D574-L578 WeakPolarHBondContact O-CG 3.31Å; D574-L578 PolarHBondContact O-N 2.74Å; D574-L578 VanDerWaalsContact O-N 3.07Å
575Y85.4Confident87.3Confident70 Ų7077.1 Ų77.128%0.27539%0.387SS..Hα-helixtrans-67.9-31.6180-82.123.8000112.1I459 L578 K579I459-Y575 HydrophobicContact CG2-CD2 4.39Å; I459-Y575 HydrophobicContact CG2-CG 4.27Å; I459-Y575 WeakPolarHBondContact CG2-O 3.23Å; Y575-L578 HydrophobicContact CD1-CD1 4.41Å; Y575-L578 PolarHBondContact O-N 2.71Å; Y575-K579 WeakPolarHBondContact O-CB 3.42Å; Y575-K579 PolarHBondContact O-N 3.22Å
576D90.1Very high88.2Confident114 Ų11475.1 Ų75.161%0.6138%0.38SS*.Hα-helixtrans-68.8-37.4175.8-76-26.1000111.4D574 K579 A580D574-D576 VanDerWaalsContact C-N 3.3Å; D574-D576 PolarHBondContact O-N 2.92Å; D574-D576 WeakPolarHBondContact OD1-CB 3.19Å; D574-D576 PolarHBondContact OD1-N 2.76Å; D576-K579 WeakPolarHBondContact O-CB 3.32Å; D576-K579 PolarHBondContact O-N 2.92Å; D576-A580 WeakPolarHBondContact O-CB 3.36Å; D576-A580 PolarHBondContact O-N 2.94Å
577D90.9Very high88.9Confident64 Ų6474 Ų7434%0.34237%0.374SS..Hα-helixtrans-64.5-46173.3-69.2-35.1000111.3I573 D574 K579 A580 M581 L640I573-D577 HydrophobicContact CG2-CB 3.99Å; D574-D577 HydrophobicContact CB-CB 4.48Å; D574-D577 PolarHBondContact O-N 2.93Å; D577-K579 VanDerWaalsContact C-N 3.3Å; D577-K579 PolarHBondContact O-N 3.37Å; D577-A580 PolarHBondContact O-N 3.34Å; D577-M581 HydrophobicContact CB-CE 4.41Å; D577-M581 WeakPolarHBondContact O-CG 3.34Å; D577-M581 PolarHBondContact O-N 2.84Å; D577-L640 HydrophobicContact CB-CD1 4.37Å; D577-L640 HydrophobicContact CB-CD2 3.78Å
578L88.1Confident89.4Confident38 Ų3874.2 Ų74.220%0.19938%0.383CS..Hα-helixtrans-60.6-40.7174.8-70.8174.9000111.8I459 A541 I573 D574 Y575 A580 M581 M582I459-L578 HydrophobicContact CG2-CB 4.34Å; A541-L578 HydrophobicContact CB-CD2 3.83Å; I573-L578 HydrophobicContact CB-CD2 4.41Å; I573-L578 HydrophobicContact CB-CG 4.36Å; I573-L578 HydrophobicContact CD1-CD2 4.41Å; I573-L578 HydrophobicContact CG2-CD2 3.86Å; I573-L578 HydrophobicContact CG2-CG 3.74Å; D574-L578 WeakPolarHBondContact O-CG 3.31Å; D574-L578 PolarHBondContact O-N 2.74Å; D574-L578 VanDerWaalsContact O-N 3.07Å; Y575-L578 HydrophobicContact CD1-CD1 4.41Å; Y575-L578 PolarHBondContact O-N 2.71Å; L578-A580 VanDerWaalsContact C-N 3.33Å; L578-A580 PolarHBondContact O-N 2.75Å; L578-M581 PolarHBondContact O-N 2.85Å; L578-M581 VanDerWaalsContact O-N 3.16Å; L578-M582 PolarHBondContact O-N 3.33Å
579K92.2Very high90Very high95 Ų9570.4 Ų70.441%0.41337%0.366SS..Hα-helixtrans-63.8-37.9177.8-170.4-178.2-178.4179.30111.9I459 Y575 D576 D577 M581 M582 W584I459-K579 HydrophobicContact CB-CB 4.23Å; I459-K579 HydrophobicContact CB-CG 4.45Å; I459-K579 HydrophobicContact CG2-CB 4.27Å; Y575-K579 WeakPolarHBondContact O-CB 3.42Å; Y575-K579 PolarHBondContact O-N 3.22Å; D576-K579 WeakPolarHBondContact O-CB 3.32Å; D576-K579 PolarHBondContact O-N 2.92Å; D577-K579 VanDerWaalsContact C-N 3.3Å; D577-K579 PolarHBondContact O-N 3.37Å; K579-M581 VanDerWaalsContact C-N 3.27Å; K579-M581 PolarHBondContact O-N 3.13Å; K579-M582 WeakPolarHBondContact O-CB 3.5Å; K579-M582 PolarHBondContact O-N 3.19Å; K579-W584 HydrophobicContact CG-CZ2 3.82Å
580A93.8Very high90.8Very high81 Ų8166.3 Ų66.367%0.66935%0.348SS*.Hα-helixtrans-67.3-27175.200000112.8D576 D577 L578D576-A580 WeakPolarHBondContact O-CB 3.36Å; D576-A580 PolarHBondContact O-N 2.94Å; D577-A580 PolarHBondContact O-N 3.34Å; L578-A580 VanDerWaalsContact C-N 3.33Å; L578-A580 PolarHBondContact O-N 2.75Å
581M93.8Very high91.5Very high15 Ų1565.6 Ų65.67%0.07434%0.338CS..Hα-helixtrans-80.5-21.6177.2-63.5-174-14100114L545 D577 L578 K579 N583 K636 I637 L640L545-M581 HydrophobicContact CD1-CB 3.87Å; L545-M581 HydrophobicContact CD1-SD 4.37Å; L545-M581 HydrophobicContact CD2-CB 4.41Å; D577-M581 HydrophobicContact CB-CE 4.41Å; D577-M581 WeakPolarHBondContact O-CG 3.34Å; D577-M581 PolarHBondContact O-N 2.84Å; L578-M581 PolarHBondContact O-N 2.85Å; L578-M581 VanDerWaalsContact O-N 3.16Å; K579-M581 VanDerWaalsContact C-N 3.27Å; K579-M581 PolarHBondContact O-N 3.13Å; M581-N583 PolarHBondContact O-N 3.49Å; M581-K636 HydrophobicContact CB-CD 4.22Å; M581-K636 HydrophobicContact CG-CB 4.41Å; M581-K636 HydrophobicContact CG-CD 3.99Å; M581-K636 PolarHBondContact O-NZ 3.03Å; M581-K636 HydrophobicContact SD-CB 3.92Å; M581-K636 HydrophobicContact SD-CD 4.43Å; M581-I637 HydrophobicContact CE-CD1 3.93Å; M581-I637 HydrophobicContact SD-CD1 3.83Å; M581-L640 HydrophobicContact CE-CB 4.46Å; M581-L640 HydrophobicContact CE-CD2 3.5Å; M581-L640 VanDerWaalsContact CE-CD2 3.5Å
582M94.7Very high92.3Very high18 Ų1865.9 Ų65.99%0.08933%0.333CS..  trans-59.8129.1-174.3-178.15665.100113.1I459 F460 L545 I548 L578 K579 W584I459-M582 HydrophobicContact CD1-CE 3.7Å; F460-M582 HydrophobicContact CE1-CE 4.21Å; F460-M582 HydrophobicContact CZ-CE 3.9Å; L545-M582 HydrophobicContact CD2-CE 3.94Å; L545-M582 HydrophobicContact CD2-SD 4.26Å; I548-M582 HydrophobicContact CD1-CE 3.99Å; I548-M582 HydrophobicContact CD1-SD 3.92Å; L578-M582 PolarHBondContact O-N 3.33Å; K579-M582 WeakPolarHBondContact O-CB 3.5Å; K579-M582 PolarHBondContact O-N 3.19Å; M582-W584 HydrophobicContact CB-CZ2 4.21Å; M582-W584 HydrophobicContact CG-CD2 4.03Å; M582-W584 HydrophobicContact CG-CE3 4.35Å; M582-W584 HydrophobicContact CG-CG 4.45Å; M582-W584 HydrophobicContact CG-CH2 4.48Å; M582-W584 HydrophobicContact CG-CZ2 4.15Å; M582-W584 VanDerWaalsContact O-CD1 3.26Å; M582-W584 PolarHBondContact O-N 2.89Å; M582-W584 VanDerWaalsContact O-N 3.14Å
583N97Very high92.8Very high41 Ų4165 Ų6522%0.21932%0.323CS..  trans-82.488.6170.8-171.6-26.9000110.5E549 M581 E585 A586 L587 Y633E549-N583 PolarHBondContact OE2-ND2 2.78Å; M581-N583 PolarHBondContact O-N 3.49Å; N583-E585 VanDerWaalsContact C-N 3.28Å; N583-E585 PolarHBondContact O-N 3.27Å; N583-E585 PolarHBondContact OD1-N 3.02Å; N583-A586 HydrophobicContact CB-CB 4Å; N583-A586 VanDerWaalsContact CG-CB 3.48Å; N583-A586 PolarHBondContact O-N 3.05Å; N583-A586 WeakPolarHBondContact OD1-CB 3.49Å; N583-A586 PolarHBondContact OD1-N 2.64Å; N583-L587 PolarHBondContact O-N 3.2Å; N583-Y633 WeakPolarHBondContact CB-OH 3.5Å
584W96.3Very high93.4Very high118 Ų11863.6 Ų63.645%0.44732%0.317SS..Hα-helixtrans-61.9-32.4-177.4-66100.3000113.8F460 K579 M582 L587 A588F460-W584 AromaticContact CD1-CH2 3.98Å; F460-W584 HydrophobicContact CD1-CH2 3.98Å; F460-W584 AromaticContact CD1-CZ3 3.99Å; F460-W584 HydrophobicContact CD1-CZ3 3.99Å; F460-W584 HydrophobicContact CE1-CH2 4.17Å; F460-W584 HydrophobicContact CE1-CZ3 4.12Å; K579-W584 HydrophobicContact CG-CZ2 3.82Å; M582-W584 HydrophobicContact CB-CZ2 4.21Å; M582-W584 HydrophobicContact CG-CD2 4.03Å; M582-W584 HydrophobicContact CG-CE3 4.35Å; M582-W584 HydrophobicContact CG-CG 4.45Å; M582-W584 HydrophobicContact CG-CH2 4.48Å; M582-W584 HydrophobicContact CG-CZ2 4.15Å; M582-W584 VanDerWaalsContact O-CD1 3.26Å; M582-W584 PolarHBondContact O-N 2.89Å; M582-W584 VanDerWaalsContact O-N 3.14Å; W584-L587 HydrophobicContact CE3-CD2 4.09Å; W584-L587 HydrophobicContact CZ3-CD2 4.09Å; W584-A588 VanDerWaalsContact O-CB 3.3Å; W584-A588 WeakPolarHBondContact O-CB 3.24Å; W584-A588 PolarHBondContact O-N 3.14Å
585E97.8Very high93.7Very high142 Ų14264 Ų6466%0.66432%0.318SS*.Hα-helixtrans-69.5-45.3177.2-170.3-172.716300111.1N583 L587 A588 N589N583-E585 VanDerWaalsContact C-N 3.28Å; N583-E585 PolarHBondContact O-N 3.27Å; N583-E585 PolarHBondContact OD1-N 3.02Å; E585-L587 VanDerWaalsContact C-N 3.33Å; E585-L587 PolarHBondContact O-N 2.95Å; E585-A588 PolarHBondContact O-N 3.27Å; E585-N589 WeakPolarHBondContact O-CB 3.26Å; E585-N589 VanDerWaalsContact O-CG 3.22Å; E585-N589 PolarHBondContact O-N 3.14Å; E585-N589 PolarHBondContact O-ND2 3.04Å; E585-N589 VanDerWaalsContact O-ND2 3.11Å
586A97.5Very high93.9Very high9 Ų963.1 Ų63.17%0.07432%0.318CS..Hα-helixtrans-61.1-42.4175.300000111.6I548 N583 N589 F590I548-A586 HydrophobicContact CG2-CB 3.96Å; N583-A586 HydrophobicContact CB-CB 4Å; N583-A586 VanDerWaalsContact CG-CB 3.48Å; N583-A586 PolarHBondContact O-N 3.05Å; N583-A586 WeakPolarHBondContact OD1-CB 3.49Å; N583-A586 PolarHBondContact OD1-N 2.64Å; A586-N589 WeakPolarHBondContact O-CB 3.42Å; A586-N589 PolarHBondContact O-N 2.66Å; A586-F590 PolarHBondContact O-N 2.83Å
587L96.5Very high94Very high2 Ų263.4 Ų63.41%0.0133%0.325CS..Hα-helixtrans-61.6-45.9174.5178.657.3000112.3F460 L488 I548 N583 W584 E585 N589 F590 R591F460-L587 HydrophobicContact CD1-CD2 4.25Å; F460-L587 HydrophobicContact CE1-CD2 3.56Å; F460-L587 HydrophobicContact CZ-CD2 4.21Å; L488-L587 HydrophobicContact CD1-CD1 3.62Å; L488-L587 HydrophobicContact CD2-CD1 4.04Å; L488-L587 HydrophobicContact CG-CD1 3.85Å; I548-L587 HydrophobicContact CG2-CB 4.23Å; N583-L587 PolarHBondContact O-N 3.2Å; W584-L587 HydrophobicContact CE3-CD2 4.09Å; W584-L587 HydrophobicContact CZ3-CD2 4.09Å; E585-L587 VanDerWaalsContact C-N 3.33Å; E585-L587 PolarHBondContact O-N 2.95Å; L587-N589 VanDerWaalsContact C-N 3.3Å; L587-N589 PolarHBondContact O-N 2.64Å; L587-F590 HydrophobicContact CD1-CD1 4.32Å; L587-F590 PolarHBondContact O-N 2.96Å; L587-R591 HydrophobicContact CD1-CG 4.47Å; L587-R591 WeakPolarHBondContact O-CG 3.36Å; L587-R591 PolarHBondContact O-N 3.33Å
588A96.3Very high94.1Very high53 Ų5367.5 Ų67.544%0.43835%0.348SS..Hα-helixtrans-62.5-39.2176.800000111.6W584 E585 R591 R592W584-A588 VanDerWaalsContact O-CB 3.3Å; W584-A588 WeakPolarHBondContact O-CB 3.24Å; W584-A588 PolarHBondContact O-N 3.14Å; E585-A588 PolarHBondContact O-N 3.27Å; A588-R591 PolarHBondContact O-N 3.4Å; A588-R592 WeakPolarHBondContact O-CB 3.47Å; A588-R592 PolarHBondContact O-N 3.41Å
589N95.7Very high94.2Very high21 Ų2170.9 Ų70.911%0.11236%0.357CS..Hα-helixtrans-63.5-45175.3-75.5-37.7000111.9E585 A586 L587 R592 L593E585-N589 WeakPolarHBondContact O-CB 3.26Å; E585-N589 VanDerWaalsContact O-CG 3.22Å; E585-N589 PolarHBondContact O-N 3.14Å; E585-N589 PolarHBondContact O-ND2 3.04Å; E585-N589 VanDerWaalsContact O-ND2 3.11Å; A586-N589 WeakPolarHBondContact O-CB 3.42Å; A586-N589 PolarHBondContact O-N 2.66Å; L587-N589 VanDerWaalsContact C-N 3.3Å; L587-N589 PolarHBondContact O-N 2.64Å; N589-R592 PolarHBondContact O-N 2.82Å; N589-R592 PolarHBondContact OD1-NH1 3.32Å; N589-R592 PolarHBondContact OD1-NH2 3.25Å; N589-L593 WeakPolarHBondContact O-CG 3.28Å; N589-L593 PolarHBondContact O-N 2.92Å; N589-L593 VanDerWaalsContact O-N 3.09Å
590F96.3Very high94.2Very high14 Ų1471.8 Ų71.86%0.06137%0.373CS..Hα-helixtrans-57.4-51.2173.8164.4-114.5000111.5L483 G486 L488 L513 P514 A586 L587 R592 L593 G594L483-F590 HydrophobicContact CD2-CZ 4.14Å; L483-F590 WeakPolarHBondContact O-CE2 3.36Å; L483-F590 WeakPolarHBondContact O-CZ 3.27Å; G486-F590 VanDerWaalsContact C-CE1 3.49Å; G486-F590 VanDerWaalsContact O-CE1 3.3Å; G486-F590 WeakPolarHBondContact O-CE1 3.49Å; L488-F590 HydrophobicContact CD2-CD1 3.88Å; L488-F590 HydrophobicContact CD2-CE1 3.66Å; L488-F590 HydrophobicContact CG-CE1 4.19Å; L513-F590 HydrophobicContact CD2-CE2 4.22Å; P514-F590 HydrophobicContact CG-CB 4.24Å; P514-F590 HydrophobicContact CG-CD1 4.19Å; P514-F590 HydrophobicContact CG-CD2 3.48Å; P514-F590 VanDerWaalsContact CG-CD2 3.48Å; P514-F590 HydrophobicContact CG-CE1 4.46Å; P514-F590 HydrophobicContact CG-CE2 3.81Å; P514-F590 HydrophobicContact CG-CG 3.69Å; P514-F590 HydrophobicContact CG-CZ 4.28Å; A586-F590 PolarHBondContact O-N 2.83Å; L587-F590 HydrophobicContact CD1-CD1 4.32Å; L587-F590 PolarHBondContact O-N 2.96Å; F590-R592 VanDerWaalsContact C-N 3.26Å; F590-R592 PolarHBondContact O-N 2.85Å; F590-L593 PolarHBondContact O-N 3.05Å; F590-G594 PolarHBondContact O-N 3.41Å
591R95.2Very high94Very high108 Ų10872.1 Ų72.141%0.40836%0.364SS..Hα-helixtrans-58.9-36.7176.7-72.8175.1172.5-175.6-3.6112.4G486 L587 A588 L593 G594 R599G486-R591 WeakPolarHBondContact O-CG 3.35Å; L587-R591 HydrophobicContact CD1-CG 4.47Å; L587-R591 WeakPolarHBondContact O-CG 3.36Å; L587-R591 PolarHBondContact O-N 3.33Å; A588-R591 PolarHBondContact O-N 3.4Å; R591-L593 VanDerWaalsContact C-N 3.32Å; R591-L593 PolarHBondContact O-N 3.19Å; R591-G594 PolarHBondContact O-N 3.09Å; R591-R599 PolarHBondContact O-NH2 3.21Å
592R93.3Very high93.9Very high142 Ų14277 Ų7754%0.53639%0.394SS..Hα-helixtrans-67.6-29.9176.7-169.9179.567.4-138.9-7.2112.8A588 N589 F590 G594 R599A588-R592 WeakPolarHBondContact O-CB 3.47Å; A588-R592 PolarHBondContact O-N 3.41Å; N589-R592 PolarHBondContact O-N 2.82Å; N589-R592 PolarHBondContact OD1-NH1 3.32Å; N589-R592 PolarHBondContact OD1-NH2 3.25Å; F590-R592 VanDerWaalsContact C-N 3.26Å; F590-R592 PolarHBondContact O-N 2.85Å; R592-G594 VanDerWaalsContact C-N 3.34Å; R592-R599 PolarHBondContact O-NE 3.07Å; R592-R599 VanDerWaalsContact O-NE 3.09Å; R592-R599 PolarHBondContact O-NH1 3.46Å; R592-R599 PolarHBondContact O-NH2 3.28Å
593L91.2Very high93.6Very high99 Ų9978.5 Ų78.552%0.51841%0.406SS..Hα-helixtrans-83.7-10.1178.8-67.4173000113.4N589 F590 R591N589-L593 WeakPolarHBondContact O-CG 3.28Å; N589-L593 PolarHBondContact O-N 2.92Å; N589-L593 VanDerWaalsContact O-N 3.09Å; F590-L593 PolarHBondContact O-N 3.05Å; R591-L593 VanDerWaalsContact C-N 3.32Å; R591-L593 PolarHBondContact O-N 3.19Å
594G93.1Very high93.1Very high3 Ų379 Ų793%0.03142%0.421CS..SBendtrans-59.2148174.100000113K484 F590 R591 R592 N596K484-G594 WeakPolarHBondContact O-CA 3.29Å; F590-G594 PolarHBondContact O-N 3.41Å; R591-G594 PolarHBondContact O-N 3.09Å; R592-G594 VanDerWaalsContact C-N 3.34Å; G594-N596 PolarHBondContact O-N 2.92Å
595M91.9Very high92.8Very high98 Ų9877.1 Ų77.148%0.48342%0.423SS..  trans-53.8129.7176.2-73.8-174.4-51.400110.8K484 T485K484-M595 HydrophobicContact CB-CE 4.13Å; K484-M595 HydrophobicContact CD-CG 4.42Å; K484-M595 HydrophobicContact CG-CE 3.74Å; K484-M595 HydrophobicContact CG-CG 3.86Å; K484-M595 HydrophobicContact CG-SD 3.74Å; K484-M595 PolarHBondContact O-N 3.48Å; T485-M595 HydrophobicContact CG2-CE 4.09Å
596N89.9Confident92.6Very high51 Ų5175.5 Ų75.527%0.27343%0.434SS..  trans-149.2129.2179.9178.5-36.6000108.9G594 N598 R599G594-N596 PolarHBondContact O-N 2.92Å; N596-N598 PolarHBondContact O-N 3.44Å; N596-N598 VanDerWaalsContact O-N 3.13Å; N596-N598 VanDerWaalsContact OD1-CB 3.3Å; N596-N598 WeakPolarHBondContact OD1-CB 3.16Å; N596-N598 PolarHBondContact OD1-N 3Å; N596-R599 HydrophobicContact CB-CG 3.64Å; N596-R599 CarbonylContact O-C 3.59Å; N596-R599 WeakPolarHBondContact O-CA 3.19Å; N596-R599 PolarHBondContact O-N 2.73Å
597P91.9Very high92.4Very high119 Ų11978.1 Ų78.177%0.77345%0.445SS*.THydrogen-bonded Turntrans-62-22-176.825.2-35000113.5R599P597-R599 VanDerWaalsContact C-N 3.29Å
598N94.3Very high92.3Very high151 Ų15183.6 Ų83.681%0.80747%0.474SS*.THydrogen-bonded Turntrans-80.3-9.4174.9-59.4-43000113.1N596N596-N598 PolarHBondContact O-N 3.44Å; N596-N598 VanDerWaalsContact O-N 3.13Å; N596-N598 VanDerWaalsContact OD1-CB 3.3Å; N596-N598 WeakPolarHBondContact OD1-CB 3.16Å; N596-N598 PolarHBondContact OD1-N 3Å
599R90.3Very high92.2Very high108 Ų10886.6 Ų86.641%0.40849%0.489SS..SBendtrans-145.263.7176.453.2172.8-173.9-131-3.2110.3R591 R592 N596 P597 N601R591-R599 PolarHBondContact O-NH2 3.21Å; R592-R599 PolarHBondContact O-NE 3.07Å; R592-R599 VanDerWaalsContact O-NE 3.09Å; R592-R599 PolarHBondContact O-NH1 3.46Å; R592-R599 PolarHBondContact O-NH2 3.28Å; N596-R599 HydrophobicContact CB-CG 3.64Å; N596-R599 CarbonylContact O-C 3.59Å; N596-R599 WeakPolarHBondContact O-CA 3.19Å; N596-R599 PolarHBondContact O-N 2.73Å; P597-R599 VanDerWaalsContact C-N 3.29Å; R599-N601 PolarHBondContact O-N 3.18Å
600P91.3Very high92.1Very high114 Ų11490.8 Ų90.874%0.7451%0.511SS*.  trans-63.9137.7-17228-34.8000111.2
601N90.5Very high92.1Very high88 Ų8894.2 Ų94.247%0.47153%0.529SS..  trans-138.6166.117362.726.7000109.8R599R599-N601 PolarHBondContact O-N 3.18Å
602V90.6Very high92.1Very high117 Ų11793.3 Ų93.371%0.70953%0.529SS*.  trans-130140.6174.765.50000109T605V602-T605 HydrophobicContact CG1-CG2 3.99Å; V602-T605 HydrophobicContact CG2-CG2 3.85Å
603S89Confident92.2Very high50 Ų5093 Ų9335%0.3553%0.532SS..  trans-129.8158.8174.256.70000110.8K484 E511 T605K484-S603 WeakPolarHBondContact CE-OG 3.4Å; K484-S603 PolarHBondContact NZ-OG 3.18Å; E511-S603 PolarHBondContact OE2-OG 2.97Å; S603-T605 PolarHBondContact O-N 3.43Å
604G86.2Confident92.4Very high52 Ų5293.8 Ų93.854%0.53653%0.533SS..SBendtrans72.824.1176.100000115.2
605T91Very high92.5Very high79 Ų7998.4 Ų98.449%0.48555%0.554SS.*  trans-64.6158.5174.560.20000111.7V602 S603V602-T605 HydrophobicContact CG1-CG2 3.99Å; V602-T605 HydrophobicContact CG2-CG2 3.85Å; S603-T605 PolarHBondContact O-N 3.43Å
606A92.8Very high92.5Very high108 Ų10899.1 Ų99.189%0.89355%0.552SS**  trans-63.1136.2167.500000110
607Q92.4Very high92.8Very high63 Ų63101.3 Ų101.329%0.29456%0.56SS.*  trans-130.9140.9179.8-68.3-174.4-3100110I611 H612Q607-I611 HydrophobicContact CG-CD1 4.43Å; Q607-H612 HydrophobicContact CB-CB 4.3Å; Q607-H612 PolarHBondContact OE1-ND1 2.97Å
608N94.7Very high92.9Very high118 Ų118100.2 Ų100.263%0.63155%0.551SS**  trans-80.2162.8174.5-73.3-25.1000110.7D610 H612N608-D610 WeakPolarHBondContact CB-OD1 3.27Å; N608-D610 PolarHBondContact O-N 3.08Å; N608-D610 VanDerWaalsContact O-N 3.15Å; N608-H612 WeakPolarHBondContact O-CB 3.17Å; N608-H612 PolarHBondContact O-N 2.74Å
609P95.2Very high92.9Very high115 Ų11593.6 Ų93.675%0.74752%0.516SS*.Hα-helixtrans-63.4-16.6-178-23.834.7000115.5I611P609-I611 VanDerWaalsContact C-N 3.31Å; P609-I611 PolarHBondContact O-N 2.89Å
610D93.9Very high93.2Very high109 Ų10991.5 Ų91.558%0.58351%0.513SS*.Hα-helixtrans-65.8-29-177.461.4-35000113.7N608 Q614N608-D610 WeakPolarHBondContact CB-OD1 3.27Å; N608-D610 PolarHBondContact O-N 3.08Å; N608-D610 VanDerWaalsContact O-N 3.15Å; D610-Q614 PolarHBondContact O-NE2 3.01Å; D610-Q614 PolarHBondContact O-OE1 3.15Å; D610-Q614 VanDerWaalsContact O-OE1 3.07Å
611I95.3Very high93.4Very high86 Ų8694 Ų9444%0.44151%0.508SS..Hα-helixtrans-120.6-22176.464.4168.2000114Q607 P609 F613 Q614 Q615Q607-I611 HydrophobicContact CG-CD1 4.43Å; P609-I611 VanDerWaalsContact C-N 3.31Å; P609-I611 PolarHBondContact O-N 2.89Å; I611-F613 VanDerWaalsContact C-N 3.33Å; I611-F613 PolarHBondContact O-N 3.39Å; I611-Q614 VanDerWaalsContact C-OE1 3.29Å; I611-Q614 VanDerWaalsContact CA-OE1 3.32Å; I611-Q614 PolarHBondContact O-N 2.85Å; I611-Q614 PolarHBondContact O-OE1 3.06Å; I611-Q615 WeakPolarHBondContact O-CB 3.49Å; I611-Q615 PolarHBondContact O-N 3.03Å
612H95.2Very high93.6Very high89 Ų8993 Ų9341%0.41250%0.498SS..Hα-helixtrans-60.7-42.6-170.5-177.968.8000112.3Q607 N608 Q615 R616Q607-H612 HydrophobicContact CB-CB 4.3Å; Q607-H612 PolarHBondContact OE1-ND1 2.97Å; N608-H612 WeakPolarHBondContact O-CB 3.17Å; N608-H612 PolarHBondContact O-N 2.74Å; H612-Q615 PolarHBondContact O-N 2.73Å; H612-R616 WeakPolarHBondContact O-CG 3.41Å; H612-R616 PolarHBondContact O-N 3.1Å
613F95.4Very high93.9Very high136 Ų13691.7 Ų91.760%0.59648%0.481SS*.Hα-helixtrans-67.6-46.9-178.9-176.7-160.2000111.6I611 Q615 R616 E617I611-F613 VanDerWaalsContact C-N 3.33Å; I611-F613 PolarHBondContact O-N 3.39Å; F613-Q615 VanDerWaalsContact C-N 3.25Å; F613-Q615 PolarHBondContact O-N 2.67Å; F613-R616 WeakPolarHBondContact O-CB 3.42Å; F613-R616 PolarHBondContact O-N 3.41Å; F613-E617 HydrophobicContact CD2-CG 4.23Å; F613-E617 HydrophobicContact CE2-CG 3.91Å; F613-E617 PolarHBondContact O-N 3.2Å; F613-E617 VanDerWaalsContact O-N 3.16Å
614Q95.7Very high94.2Very high115 Ų11595.3 Ų95.354%0.53750%0.496SS..Hα-helixtrans-59.2-39.3176.7-61.185.7-2000111.1D610 I611 E617 T618D610-Q614 PolarHBondContact O-NE2 3.01Å; D610-Q614 PolarHBondContact O-OE1 3.15Å; D610-Q614 VanDerWaalsContact O-OE1 3.07Å; I611-Q614 VanDerWaalsContact C-OE1 3.29Å; I611-Q614 VanDerWaalsContact CA-OE1 3.32Å; I611-Q614 PolarHBondContact O-N 2.85Å; I611-Q614 PolarHBondContact O-OE1 3.06Å; Q614-E617 PolarHBondContact O-N 3.15Å; Q614-T618 PolarHBondContact O-N 2.9Å
615Q94.2Very high94.7Very high100 Ų10096.8 Ų96.847%0.46749%0.489SS..Hα-helixtrans-65.8-37.1175.3-173.9170.8-34.400112.4I611 H612 F613 E617 T618I611-Q615 WeakPolarHBondContact O-CB 3.49Å; I611-Q615 PolarHBondContact O-N 3.03Å; H612-Q615 PolarHBondContact O-N 2.73Å; F613-Q615 VanDerWaalsContact C-N 3.25Å; F613-Q615 PolarHBondContact O-N 2.67Å; Q615-E617 VanDerWaalsContact C-N 3.3Å; Q615-E617 PolarHBondContact O-N 3.24Å; Q615-T618 WeakPolarHBondContact O-CB 3.08Å; Q615-T618 PolarHBondContact O-N 3.44Å; Q615-T618 PolarHBondContact O-OG1 2.84Å
616R93.2Very high95Very high114 Ų11493.2 Ų93.243%0.4347%0.467SS..Hα-helixtrans-62.2-37175.1-76.5-57.7-52.3150.43.1112.3H612 F613 T618 V619H612-R616 WeakPolarHBondContact O-CG 3.41Å; H612-R616 PolarHBondContact O-N 3.1Å; F613-R616 WeakPolarHBondContact O-CB 3.42Å; F613-R616 PolarHBondContact O-N 3.41Å; R616-T618 PolarHBondContact O-N 2.67Å; R616-V619 WeakPolarHBondContact O-CG1 3.48Å; R616-V619 PolarHBondContact O-N 2.88Å
617E95.9Very high95.2Very high96 Ų9689.3 Ų89.345%0.44943%0.433SS..Hα-helixtrans-70.3-16.7177.7-66.2-59116.800113.8F613 Q614 Q615 V619 N620F613-E617 HydrophobicContact CD2-CG 4.23Å; F613-E617 HydrophobicContact CE2-CG 3.91Å; F613-E617 PolarHBondContact O-N 3.2Å; F613-E617 VanDerWaalsContact O-N 3.16Å; Q614-E617 PolarHBondContact O-N 3.15Å; Q615-E617 VanDerWaalsContact C-N 3.3Å; Q615-E617 PolarHBondContact O-N 3.24Å; E617-V619 PolarHBondContact O-N 3.38Å; E617-V619 VanDerWaalsContact O-N 3.11Å; E617-N620 PolarHBondContact O-N 3.05Å; E617-N620 PolarHBondContact O-ND2 2.9Å; E617-N620 PolarHBondContact OE2-ND2 2.78Å
618T94Very high95.5Very high96 Ų9689.2 Ų89.259%0.58944%0.443SS*.THydrogen-bonded Turntrans-63.4-19.1177.466.60000113.4Q614 Q615 R616Q614-T618 PolarHBondContact O-N 2.9Å; Q615-T618 WeakPolarHBondContact O-CB 3.08Å; Q615-T618 PolarHBondContact O-N 3.44Å; Q615-T618 PolarHBondContact O-OG1 2.84Å; R616-T618 PolarHBondContact O-N 2.67Å
619V94.2Very high95.6Very high12 Ų1284.5 Ų84.57%0.07342%0.418CS..THydrogen-bonded Turntrans-79.4-19.8-176.882.90000113.1L512 L552 R616 E617 R621 Y622 Y623L512-V619 HydrophobicContact CD2-CG2 3.88Å; L552-V619 HydrophobicContact CD2-CG2 4.5Å; R616-V619 WeakPolarHBondContact O-CG1 3.48Å; R616-V619 PolarHBondContact O-N 2.88Å; E617-V619 PolarHBondContact O-N 3.38Å; E617-V619 VanDerWaalsContact O-N 3.11Å; V619-R621 VanDerWaalsContact C-N 3.29Å; V619-R621 PolarHBondContact O-N 2.84Å; V619-Y622 HydrophobicContact CG2-CD2 4.39Å; V619-Y622 WeakPolarHBondContact O-CB 3.46Å; V619-Y622 PolarHBondContact O-N 3.3Å; V619-Y623 HydrophobicContact CB-CE2 4.39Å; V619-Y623 HydrophobicContact CG1-CD2 4.09Å; V619-Y623 HydrophobicContact CG1-CE2 3.96Å; V619-Y623 HydrophobicContact CG2-CD2 3.95Å; V619-Y623 HydrophobicContact CG2-CE2 3.58Å
620N95.6Very high95.7Very high64 Ų6479.2 Ų79.234%0.34238%0.383SS..Hα-helixtrans-52.1-46.8-170.8-66.4-9.8000112.3E617 Y622 Y623 D624E617-N620 PolarHBondContact O-N 3.05Å; E617-N620 PolarHBondContact O-ND2 2.9Å; E617-N620 PolarHBondContact OE2-ND2 2.78Å; N620-Y622 PolarHBondContact O-N 3.08Å; N620-Y622 VanDerWaalsContact O-N 3.14Å; N620-Y623 PolarHBondContact O-N 3.19Å; N620-D624 VanDerWaalsContact O-CG 3.28Å; N620-D624 PolarHBondContact O-N 2.65Å
621R95.8Very high95.9Very high166 Ų16676.6 Ų76.663%0.62637%0.367SS*.Hα-helixtrans-53.8-37.8178.5-178.6179.9175-173.9-3113.6V619 Y623 D624 E625V619-R621 VanDerWaalsContact C-N 3.29Å; V619-R621 PolarHBondContact O-N 2.84Å; R621-Y623 VanDerWaalsContact C-N 3.33Å; R621-D624 PolarHBondContact O-N 3.07Å; R621-E625 HydrophobicContact CG-CG 4.37Å; R621-E625 IonicContact CZ-OE1 2.69Å; R621-E625 VanDerWaalsContact CZ-OE1 3.3Å; R621-E625 IonicContact NE-OE1 2.87Å; R621-E625 PolarHBondContact NE-OE1 2.89Å; R621-E625 IonicContact NE-OE2 3.3Å; R621-E625 IonicContact NH2-OE1 2.97Å; R621-E625 PolarHBondContact NH2-OE1 3.01Å; R621-E625 WeakPolarHBondContact O-CB 3.36Å; R621-E625 WeakPolarHBondContact O-CG 3.48Å; R621-E625 PolarHBondContact O-N 3.24Å
622Y96.4Very high96Very high67 Ų6776.3 Ų76.326%0.26336%0.363SS..Hα-helixtrans-69.6-34.2-180-63.9-89.1000111.8L512 R551 V619 N620 M626L512-Y622 HydrophobicContact CD1-CD2 4.29Å; L512-Y622 HydrophobicContact CD1-CE1 4.02Å; L512-Y622 HydrophobicContact CD1-CE2 3.62Å; L512-Y622 VanDerWaalsContact CD1-CZ 3.47Å; L512-Y622 HydrophobicContact CD2-CD1 4.39Å; L512-Y622 HydrophobicContact CD2-CD2 4.04Å; L512-Y622 HydrophobicContact CD2-CE2 4.23Å; L512-Y622 HydrophobicContact CD2-CG 4.12Å; R551-Y622 HydrophobicContact CB-CD1 4.46Å; R551-Y622 HydrophobicContact CB-CE1 4.46Å; V619-Y622 HydrophobicContact CG2-CD2 4.39Å; V619-Y622 WeakPolarHBondContact O-CB 3.46Å; V619-Y622 PolarHBondContact O-N 3.3Å; N620-Y622 PolarHBondContact O-N 3.08Å; N620-Y622 VanDerWaalsContact O-N 3.14Å; Y622-M626 WeakPolarHBondContact O-CB 3.25Å; Y622-M626 PolarHBondContact O-N 2.87Å
623Y96Very high96Very high91 Ų9172.2 Ų72.236%0.35734%0.344SS..Hα-helixtrans-77.1-37.5174.5-73.2-87.4000111.5L552 V619 N620 R621 E625 M626 P627 P694L552-Y623 HydrophobicContact CD1-CD1 3.9Å; L552-Y623 HydrophobicContact CD1-CD2 4.03Å; L552-Y623 HydrophobicContact CD1-CE1 3.92Å; L552-Y623 HydrophobicContact CD1-CE2 4.05Å; L552-Y623 HydrophobicContact CD1-CG 3.96Å; L552-Y623 HydrophobicContact CD2-CE2 4.02Å; V619-Y623 HydrophobicContact CB-CE2 4.39Å; V619-Y623 HydrophobicContact CG1-CD2 4.09Å; V619-Y623 HydrophobicContact CG1-CE2 3.96Å; V619-Y623 HydrophobicContact CG2-CD2 3.95Å; V619-Y623 HydrophobicContact CG2-CE2 3.58Å; N620-Y623 PolarHBondContact O-N 3.19Å; R621-Y623 VanDerWaalsContact C-N 3.33Å; Y623-E625 PolarHBondContact O-N 3.47Å; Y623-M626 PolarHBondContact O-N 3.33Å; Y623-P627 VanDerWaalsContact O-CD 3.3Å; Y623-P627 WeakPolarHBondContact O-CD 3.15Å; Y623-P694 HydrophobicContact CD1-CG 4.08Å; Y623-P694 VanDerWaalsContact O-CG 3.32Å; Y623-P694 WeakPolarHBondContact O-CG 3.21Å
624D95.8Very high96.1Very high126 Ų12665.8 Ų65.867%0.67432%0.316SS*.Hα-helixtrans-64.1-39.3177.7-63.6-27.2000112.2N620 R621N620-D624 VanDerWaalsContact O-CG 3.28Å; N620-D624 PolarHBondContact O-N 2.65Å; R621-D624 PolarHBondContact O-N 3.07Å
625E96.3Very high96.1Very high83 Ų8363.8 Ų63.839%0.38831%0.309SS..Hα-helixtrans-79.6-19.4179.3-69.1177.1179.600113R621 Y623 A628 I629R621-E625 HydrophobicContact CG-CG 4.37Å; R621-E625 IonicContact CZ-OE1 2.69Å; R621-E625 VanDerWaalsContact CZ-OE1 3.3Å; R621-E625 IonicContact NE-OE1 2.87Å; R621-E625 PolarHBondContact NE-OE1 2.89Å; R621-E625 IonicContact NE-OE2 3.3Å; R621-E625 IonicContact NH2-OE1 2.97Å; R621-E625 PolarHBondContact NH2-OE1 3.01Å; R621-E625 WeakPolarHBondContact O-CB 3.36Å; R621-E625 WeakPolarHBondContact O-CG 3.48Å; R621-E625 PolarHBondContact O-N 3.24Å; Y623-E625 PolarHBondContact O-N 3.47Å; E625-A628 PolarHBondContact O-N 3.16Å; E625-I629 HydrophobicContact CB-CD1 4.42Å; E625-I629 WeakPolarHBondContact O-CG1 3.01Å; E625-I629 PolarHBondContact O-N 3.27Å
626M97.3Very high96.2Very high3 Ų362.3 Ų62.32%0.01530%0.301CS..Hα-helixtrans-61-45.1-171-172.858.467.600114.7A546 L552 F554 Y622 Y623 A628 I629 V630 P694A546-M626 HydrophobicContact CB-SD 4.38Å; L552-M626 HydrophobicContact CB-CE 3.76Å; L552-M626 HydrophobicContact CD1-CE 3.74Å; L552-M626 HydrophobicContact CG-CE 4.02Å; F554-M626 HydrophobicContact CE2-CE 4.02Å; F554-M626 HydrophobicContact CE2-CG 4.41Å; F554-M626 HydrophobicContact CE2-SD 3.66Å; F554-M626 HydrophobicContact CZ-CE 4.45Å; F554-M626 HydrophobicContact CZ-CG 3.96Å; F554-M626 HydrophobicContact CZ-SD 3.54Å; F554-M626 VanDerWaalsContact CZ-SD 3.54Å; Y622-M626 WeakPolarHBondContact O-CB 3.25Å; Y622-M626 PolarHBondContact O-N 2.87Å; Y623-M626 PolarHBondContact O-N 3.33Å; M626-A628 VanDerWaalsContact C-N 3.28Å; M626-A628 PolarHBondContact O-N 3.46Å; M626-I629 WeakPolarHBondContact O-CB 3.44Å; M626-I629 PolarHBondContact O-N 3.05Å; M626-I629 HydrophobicContact SD-CB 4.33Å; M626-I629 HydrophobicContact SD-CG2 4.47Å; M626-V630 HydrophobicContact CG-CG2 4.15Å; M626-V630 WeakPolarHBondContact O-CG2 3.46Å; M626-V630 PolarHBondContact O-N 2.94Å; M626-V630 HydrophobicContact SD-CG2 4.09Å; M626-P694 HydrophobicContact CB-CG 4.22Å
627P97.1Very high96.1Very high26 Ų2657.2 Ų57.217%0.16928%0.282CS..Hα-helixtrans-54.3-44.1178.4-28.837.8000112.7Y623 I629 V630 Q631 L647 L691 P694Y623-P627 VanDerWaalsContact O-CD 3.3Å; Y623-P627 WeakPolarHBondContact O-CD 3.15Å; P627-I629 VanDerWaalsContact C-N 3.35Å; P627-I629 PolarHBondContact O-N 3.45Å; P627-V630 PolarHBondContact O-N 3.27Å; P627-Q631 WeakPolarHBondContact O-CB 3.45Å; P627-Q631 PolarHBondContact O-N 3.06Å; P627-L647 HydrophobicContact CB-CD1 3.64Å; P627-L691 HydrophobicContact CB-CD2 4.37Å; P627-L691 HydrophobicContact CG-CD2 4.45Å; P627-P694 HydrophobicContact CG-CB 4.1Å; P627-P694 HydrophobicContact CG-CG 4.31Å
628A97.5Very high96Very high62 Ų6253.5 Ų53.551%0.51227%0.265SS..Hα-helixtrans-65.3-37177.800000112.4E625 M626 K632E625-A628 PolarHBondContact O-N 3.16Å; M626-A628 VanDerWaalsContact C-N 3.28Å; M626-A628 PolarHBondContact O-N 3.46Å; A628-K632 WeakPolarHBondContact O-CB 3.32Å; A628-K632 PolarHBondContact O-N 3.31Å
629I98Very high96Very high19 Ų1955.9 Ų55.910%0.09727%0.274CS..Hα-helixtrans-65.2-45.7175.2-64.8169.6000110.7A546 E549 E625 M626 P627 K632 Y633A546-I629 HydrophobicContact CB-CG2 4Å; E549-I629 HydrophobicContact CB-CG2 3.97Å; E549-I629 HydrophobicContact CG-CD1 4.35Å; E549-I629 HydrophobicContact CG-CG2 4.01Å; E625-I629 HydrophobicContact CB-CD1 4.42Å; E625-I629 WeakPolarHBondContact O-CG1 3.01Å; E625-I629 PolarHBondContact O-N 3.27Å; M626-I629 WeakPolarHBondContact O-CB 3.44Å; M626-I629 PolarHBondContact O-N 3.05Å; M626-I629 HydrophobicContact SD-CB 4.33Å; M626-I629 HydrophobicContact SD-CG2 4.47Å; P627-I629 VanDerWaalsContact C-N 3.35Å; P627-I629 PolarHBondContact O-N 3.45Å; I629-K632 WeakPolarHBondContact O-CB 3.42Å; I629-K632 PolarHBondContact O-N 3.4Å; I629-Y633 HydrophobicContact CG2-CD2 4.12Å; I629-Y633 HydrophobicContact CG2-CE2 3.96Å; I629-Y633 VanDerWaalsContact O-CD2 3.22Å; I629-Y633 WeakPolarHBondContact O-CD2 3.03Å; I629-Y633 PolarHBondContact O-N 3.29Å
630V97.4Very high95.9Very high4 Ų458.7 Ų58.72%0.02429%0.288CS..Hα-helixtrans-61.2-48.1177.3175.20000110.2V542 A546 F554 M626 P627 K632 Y633 M634 L647 L691V542-V630 HydrophobicContact CG1-CG1 3.87Å; A546-V630 HydrophobicContact CB-CG2 3.87Å; F554-V630 HydrophobicContact CE1-CG2 3.92Å; F554-V630 HydrophobicContact CZ-CG2 3.64Å; M626-V630 HydrophobicContact CG-CG2 4.15Å; M626-V630 WeakPolarHBondContact O-CG2 3.46Å; M626-V630 PolarHBondContact O-N 2.94Å; M626-V630 HydrophobicContact SD-CG2 4.09Å; P627-V630 PolarHBondContact O-N 3.27Å; V630-K632 VanDerWaalsContact C-N 3.33Å; V630-K632 PolarHBondContact O-N 2.94Å; V630-Y633 PolarHBondContact O-N 2.93Å; V630-Y633 VanDerWaalsContact O-N 3.09Å; V630-M634 HydrophobicContact CG1-CE 3.85Å; V630-M634 HydrophobicContact CG1-CG 4.5Å; V630-M634 HydrophobicContact CG1-SD 4.07Å; V630-M634 PolarHBondContact O-N 3.42Å; V630-L647 HydrophobicContact CB-CD2 3.89Å; V630-L647 HydrophobicContact CG1-CD2 3.59Å; V630-L691 HydrophobicContact CG2-CD1 4.43Å; V630-L691 HydrophobicContact CG2-CD2 4.45Å
631Q96.7Very high95.5Very high54 Ų5458.6 Ų58.625%0.25228%0.283SS..Hα-helixtrans-61.3-39.7179.5-163.8-178.839.400112.2P627 Y633 M634 N635 D646 L647 N699P627-Q631 WeakPolarHBondContact O-CB 3.45Å; P627-Q631 PolarHBondContact O-N 3.06Å; Q631-Y633 VanDerWaalsContact C-N 3.3Å; Q631-Y633 PolarHBondContact O-N 2.75Å; Q631-M634 PolarHBondContact O-N 2.62Å; Q631-N635 WeakPolarHBondContact O-CB 3.33Å; Q631-N635 PolarHBondContact O-N 2.88Å; Q631-N635 PolarHBondContact O-ND2 3.45Å; Q631-D646 WeakPolarHBondContact CG-OD1 3.32Å; Q631-D646 PolarHBondContact NE2-OD1 2.95Å; Q631-L647 HydrophobicContact CB-CD1 4.43Å; Q631-L647 HydrophobicContact CB-CD2 4.15Å; Q631-L647 HydrophobicContact CB-CG 4.13Å; Q631-L647 HydrophobicContact CG-CG 4.4Å; Q631-N699 PolarHBondContact NE2-ND2 3.43Å
632K97.9Very high95.1Very high80 Ų8054.3 Ų54.335%0.34829%0.29SS..Hα-helixtrans-54.2-45.3172.6172.3-164.7179.2-170.40111.7E549 A628 I629 V630 K636E549-K632 IonicContact OE1-NZ 2.71Å; E549-K632 PolarHBondContact OE1-NZ 2.96Å; E549-K632 IonicContact OE2-NZ 3.35Å; E549-K632 PolarHBondContact OE2-NZ 2.68Å; A628-K632 WeakPolarHBondContact O-CB 3.32Å; A628-K632 PolarHBondContact O-N 3.31Å; I629-K632 WeakPolarHBondContact O-CB 3.42Å; I629-K632 PolarHBondContact O-N 3.4Å; V630-K632 VanDerWaalsContact C-N 3.33Å; V630-K632 PolarHBondContact O-N 2.94Å; K632-K636 PolarHBondContact O-N 3.27Å
633Y96.7Very high94.7Very high2 Ų252.9 Ų52.91%0.00829%0.289CS..Hα-helixtrans-76.1-35.2-179.7-75.7-67.3000113L545 A546 E549 N583 I629 V630 Q631 N635 K636 I637L545-Y633 HydrophobicContact CB-CD1 3.62Å; L545-Y633 HydrophobicContact CB-CD2 3.98Å; L545-Y633 HydrophobicContact CB-CE1 3.6Å; L545-Y633 HydrophobicContact CB-CE2 3.99Å; L545-Y633 HydrophobicContact CB-CG 3.82Å; L545-Y633 HydrophobicContact CD1-CD1 3.67Å; L545-Y633 HydrophobicContact CD1-CE1 3.99Å; L545-Y633 HydrophobicContact CD1-CG 4.4Å; L545-Y633 HydrophobicContact CD2-CE1 4.19Å; L545-Y633 HydrophobicContact CG-CD1 4.18Å; L545-Y633 HydrophobicContact CG-CE1 4.14Å; A546-Y633 HydrophobicContact CB-CD2 4.21Å; E549-Y633 HydrophobicContact CB-CE2 4.08Å; E549-Y633 WeakPolarHBondContact OE2-CE2 3.43Å; E549-Y633 PolarHBondContact OE2-OH 2.76Å; N583-Y633 WeakPolarHBondContact CB-OH 3.5Å; I629-Y633 HydrophobicContact CG2-CD2 4.12Å; I629-Y633 HydrophobicContact CG2-CE2 3.96Å; I629-Y633 VanDerWaalsContact O-CD2 3.22Å; I629-Y633 WeakPolarHBondContact O-CD2 3.03Å; I629-Y633 PolarHBondContact O-N 3.29Å; V630-Y633 PolarHBondContact O-N 2.93Å; V630-Y633 VanDerWaalsContact O-N 3.09Å; Q631-Y633 VanDerWaalsContact C-N 3.3Å; Q631-Y633 PolarHBondContact O-N 2.75Å; Y633-N635 VanDerWaalsContact C-N 3.3Å; Y633-N635 PolarHBondContact O-N 3.24Å; Y633-K636 HydrophobicContact CD1-CD 4Å; Y633-K636 HydrophobicContact CE1-CD 4.25Å; Y633-K636 WeakPolarHBondContact O-CB 3.43Å; Y633-K636 PolarHBondContact O-N 3.28Å; Y633-I637 WeakPolarHBondContact O-CG1 3.11Å; Y633-I637 PolarHBondContact O-N 3.22Å; Y633-I637 VanDerWaalsContact O-N 3.1Å
634M95.8Very high94.6Very high2 Ų254.3 Ų54.31%0.0130%0.303CS..Hα-helixtrans-57.2-44.6168.6-71.9169.2163.600111.3L539 V542 V630 Q631 K636 I637 N638 L647 H690L539-M634 HydrophobicContact CD1-CE 3.51Å; V542-M634 HydrophobicContact CG1-CG 4.15Å; V542-M634 HydrophobicContact CG2-CG 4.31Å; V630-M634 HydrophobicContact CG1-CE 3.85Å; V630-M634 HydrophobicContact CG1-CG 4.5Å; V630-M634 HydrophobicContact CG1-SD 4.07Å; V630-M634 PolarHBondContact O-N 3.42Å; Q631-M634 PolarHBondContact O-N 2.62Å; M634-K636 VanDerWaalsContact C-N 3.31Å; M634-K636 PolarHBondContact O-N 2.97Å; M634-I637 WeakPolarHBondContact O-CB 3.39Å; M634-I637 PolarHBondContact O-N 3.13Å; M634-I637 VanDerWaalsContact O-N 3.08Å; M634-N638 PolarHBondContact O-N 2.74Å; M634-N638 PolarHBondContact O-ND2 2.85Å; M634-N638 PolarHBondContact O-OD1 3.01Å; M634-L647 HydrophobicContact CE-CD2 4.21Å; M634-L647 HydrophobicContact SD-CD2 3.87Å; M634-H690 HydrophobicContact CE-CB 3.63Å
635N96.4Very high94.4Very high73 Ų7350.5 Ų50.539%0.3928%0.279SS..Hα-helixtrans-62.5-34.7176.3-74.5-29.4000113.2Q631 Y633 N638 N639Q631-N635 WeakPolarHBondContact O-CB 3.33Å; Q631-N635 PolarHBondContact O-N 2.88Å; Q631-N635 PolarHBondContact O-ND2 3.45Å; Y633-N635 VanDerWaalsContact C-N 3.3Å; Y633-N635 PolarHBondContact O-N 3.24Å; N635-N638 PolarHBondContact O-N 3.08Å; N635-N639 PolarHBondContact O-N 3.35Å; N635-N639 PolarHBondContact O-ND2 3.48Å
636K95.3Very high94.4Very high69 Ų6947.5 Ų47.530%0.327%0.266SS..Hα-helixtrans-63.7-42.6172.1-70.8-171.2-180-171.60111.8M581 K632 Y633 M634 N639 L640M581-K636 HydrophobicContact CB-CD 4.22Å; M581-K636 HydrophobicContact CG-CB 4.41Å; M581-K636 HydrophobicContact CG-CD 3.99Å; M581-K636 PolarHBondContact O-NZ 3.03Å; M581-K636 HydrophobicContact SD-CB 3.92Å; M581-K636 HydrophobicContact SD-CD 4.43Å; K632-K636 PolarHBondContact O-N 3.27Å; Y633-K636 HydrophobicContact CD1-CD 4Å; Y633-K636 HydrophobicContact CE1-CD 4.25Å; Y633-K636 WeakPolarHBondContact O-CB 3.43Å; Y633-K636 PolarHBondContact O-N 3.28Å; M634-K636 VanDerWaalsContact C-N 3.31Å; M634-K636 PolarHBondContact O-N 2.97Å; K636-N639 PolarHBondContact O-N 3.49Å; K636-L640 PolarHBondContact O-N 3.45Å; K636-L640 VanDerWaalsContact O-N 3.14Å
637I91.9Very high94.3Very high6 Ų647.4 Ų47.43%0.03127%0.265CS..Hα-helixtrans-64-42.7175.6-62.3-61.7000110.9V542 I573 M581 Y633 M634 N639 L640 R641 Y645V542-I637 HydrophobicContact CG2-CG1 3.95Å; I573-I637 HydrophobicContact CD1-CD1 3.72Å; M581-I637 HydrophobicContact CE-CD1 3.93Å; M581-I637 HydrophobicContact SD-CD1 3.83Å; Y633-I637 WeakPolarHBondContact O-CG1 3.11Å; Y633-I637 PolarHBondContact O-N 3.22Å; Y633-I637 VanDerWaalsContact O-N 3.1Å; M634-I637 WeakPolarHBondContact O-CB 3.39Å; M634-I637 PolarHBondContact O-N 3.13Å; M634-I637 VanDerWaalsContact O-N 3.08Å; I637-N639 PolarHBondContact O-N 2.69Å; I637-L640 PolarHBondContact O-N 3.08Å; I637-L640 VanDerWaalsContact O-N 3.12Å; I637-R641 HydrophobicContact CG2-CG 4.49Å; I637-R641 PolarHBondContact O-N 3.38Å; I637-Y645 HydrophobicContact CG2-CD2 4.03Å; I637-Y645 HydrophobicContact CG2-CE2 4.12Å
638N94.3Very high94.3Very high18 Ų1846.1 Ų46.110%0.09626%0.257CS..Hα-helixtrans-57.8-48.1176-67.7-17000112.4M634 N635 L640 R641 G642 T643 N644 Y645M634-N638 PolarHBondContact O-N 2.74Å; M634-N638 PolarHBondContact O-ND2 2.85Å; M634-N638 PolarHBondContact O-OD1 3.01Å; N635-N638 PolarHBondContact O-N 3.08Å; N638-L640 PolarHBondContact O-N 3.02Å; N638-R641 PolarHBondContact O-N 2.8Å; N638-G642 VanDerWaalsContact O-CA 3.29Å; N638-G642 WeakPolarHBondContact O-CA 3.23Å; N638-G642 PolarHBondContact O-N 3.47Å; N638-T643 WeakPolarHBondContact CA-O 3.33Å; N638-T643 WeakPolarHBondContact CA-OG1 3.16Å; N638-T643 WeakPolarHBondContact CB-O 3.42Å; N638-T643 PolarHBondContact OD1-O 3.47Å; N638-T643 PolarHBondContact OD1-OG1 2.85Å; N638-N644 PolarHBondContact OD1-N 3.31Å; N638-Y645 PolarHBondContact ND2-N 2.78Å; N638-Y645 PolarHBondContact ND2-O 3.39Å; N638-Y645 WeakPolarHBondContact OD1-CB 3.18Å; N638-Y645 PolarHBondContact OD1-N 3.39Å
639N94.4Very high94.2Very high147 Ų14744.4 Ų44.479%0.78624%0.239SC*.Hα-helixtrans-63.7-29.8177.7-68.7-24.4000112.7N635 K636 I637N635-N639 PolarHBondContact O-N 3.35Å; N635-N639 PolarHBondContact O-ND2 3.48Å; K636-N639 PolarHBondContact O-N 3.49Å; I637-N639 PolarHBondContact O-N 2.69Å
640L91.2Very high94.2Very high70 Ų7046 Ų4637%0.36624%0.244SC..Hα-helixtrans-78.4-46.5178.3-178.366.6000112.4I573 D577 M581 K636 I637 N638I573-L640 HydrophobicContact CG2-CD2 3.84Å; D577-L640 HydrophobicContact CB-CD1 4.37Å; D577-L640 HydrophobicContact CB-CD2 3.78Å; M581-L640 HydrophobicContact CE-CB 4.46Å; M581-L640 HydrophobicContact CE-CD2 3.5Å; M581-L640 VanDerWaalsContact CE-CD2 3.5Å; K636-L640 PolarHBondContact O-N 3.45Å; K636-L640 VanDerWaalsContact O-N 3.14Å; I637-L640 PolarHBondContact O-N 3.08Å; I637-L640 VanDerWaalsContact O-N 3.12Å; N638-L640 PolarHBondContact O-N 3.02Å
641R86.6Confident94.2Very high63 Ų6349.9 Ų49.924%0.23826%0.259CS..Hα-helixtrans-103.2-7.6-169.1-64-173.569.9-172.1-4.3114.5D538 E571 I637 N638 T643D538-R641 IonicContact OD2-CZ 3.65Å; D538-R641 IonicContact OD2-NH1 3.51Å; D538-R641 PolarHBondContact OD2-NH1 3.24Å; E571-R641 IonicContact OE2-CZ 2.74Å; E571-R641 IonicContact OE2-NE 2.79Å; E571-R641 IonicContact OE2-NH2 2.81Å; E571-R641 PolarHBondContact OE2-NH2 2.99Å; I637-R641 HydrophobicContact CG2-CG 4.49Å; I637-R641 PolarHBondContact O-N 3.38Å; N638-R641 PolarHBondContact O-N 2.8Å; R641-T643 HydrophobicContact CB-CG2 3.86Å; R641-T643 PolarHBondContact O-N 3.23Å
642G88Confident94.2Very high75 Ų7548.6 Ų48.677%0.77326%0.261SS*.SBendtrans69.819-170.400000113.4N638N638-G642 VanDerWaalsContact O-CA 3.29Å; N638-G642 WeakPolarHBondContact O-CA 3.23Å; N638-G642 PolarHBondContact O-N 3.47Å
643T89.1Confident94.2Very high37 Ų3746.8 Ų46.823%0.22726%0.255CS..  trans-80.2174.2173.556.50000111.1N638 R641 Y645N638-T643 WeakPolarHBondContact CA-O 3.33Å; N638-T643 WeakPolarHBondContact CA-OG1 3.16Å; N638-T643 WeakPolarHBondContact CB-O 3.42Å; N638-T643 PolarHBondContact OD1-O 3.47Å; N638-T643 PolarHBondContact OD1-OG1 2.85Å; R641-T643 HydrophobicContact CB-CG2 3.86Å; R641-T643 PolarHBondContact O-N 3.23Å; T643-Y645 HydrophobicContact CG2-CD2 4.37Å; T643-Y645 HydrophobicContact CG2-CE2 3.77Å; T643-Y645 VanDerWaalsContact OG1-CD2 3.28Å; T643-Y645 WeakPolarHBondContact OG1-CD2 3.38Å; T643-Y645 WeakPolarHBondContact OG1-CE2 3.16Å
644N92.5Very high94.2Very high122 Ų12251.7 Ų51.765%0.65229%0.287SS*.  trans-129.630.2-177.966.1-15.8000113.1N638 D646 N649N638-N644 PolarHBondContact OD1-N 3.31Å; N644-D646 PolarHBondContact O-N 3.33Å; N644-N649 PolarHBondContact O-ND2 2.95Å
645Y92.4Very high94.3Very high46 Ų4656.5 Ų56.518%0.1831%0.309CS..  trans-57.1129.2179.5-62.9-62.9000112L539 I637 N638 T643L539-Y645 HydrophobicContact CD2-CD1 4.11Å; L539-Y645 HydrophobicContact CD2-CD2 3.89Å; L539-Y645 HydrophobicContact CD2-CE1 4.39Å; L539-Y645 HydrophobicContact CD2-CE2 4.16Å; L539-Y645 HydrophobicContact CD2-CG 3.87Å; I637-Y645 HydrophobicContact CG2-CD2 4.03Å; I637-Y645 HydrophobicContact CG2-CE2 4.12Å; N638-Y645 PolarHBondContact ND2-N 2.78Å; N638-Y645 PolarHBondContact ND2-O 3.39Å; N638-Y645 WeakPolarHBondContact OD1-CB 3.18Å; N638-Y645 PolarHBondContact OD1-N 3.39Å; T643-Y645 HydrophobicContact CG2-CD2 4.37Å; T643-Y645 HydrophobicContact CG2-CE2 3.77Å; T643-Y645 VanDerWaalsContact OG1-CD2 3.28Å; T643-Y645 WeakPolarHBondContact OG1-CD2 3.38Å; T643-Y645 WeakPolarHBondContact OG1-CE2 3.16Å
646D95.6Very high94.3Very high19 Ų1953 Ų5310%0.10229%0.291CS..  trans-133.7175.3169.1-163.6-2.7000108.6Q631 N644 T648 N649 H690 K703Q631-D646 WeakPolarHBondContact CG-OD1 3.32Å; Q631-D646 PolarHBondContact NE2-OD1 2.95Å; N644-D646 PolarHBondContact O-N 3.33Å; D646-T648 PolarHBondContact O-N 3.26Å; D646-N649 PolarHBondContact N-OD1 3.05Å; D646-N649 PolarHBondContact O-OD1 2.78Å; D646-H690 PolarHBondContact O-ND1 3.05Å; D646-K703 WeakPolarHBondContact OD2-CE 2.89Å; D646-K703 IonicContact OD2-NZ 2.95Å
647L95.9Very high94.4Very high1 Ų151.4 Ų51.41%0.00529%0.287CS..SBendtrans-59.3-34.5176.8-56.6-175000111.5P627 V630 Q631 M634 H690 L691 P696P627-L647 HydrophobicContact CB-CD1 3.64Å; V630-L647 HydrophobicContact CB-CD2 3.89Å; V630-L647 HydrophobicContact CG1-CD2 3.59Å; Q631-L647 HydrophobicContact CB-CD1 4.43Å; Q631-L647 HydrophobicContact CB-CD2 4.15Å; Q631-L647 HydrophobicContact CB-CG 4.13Å; Q631-L647 HydrophobicContact CG-CG 4.4Å; M634-L647 HydrophobicContact CE-CD2 4.21Å; M634-L647 HydrophobicContact SD-CD2 3.87Å; L647-H690 PolarHBondContact O-N 2.83Å; L647-L691 HydrophobicContact CD1-CD2 4.42Å; L647-L691 HydrophobicContact CD2-CB 4.14Å; L647-L691 HydrophobicContact CD2-CD2 3.97Å; L647-L691 PolarHBondContact O-N 2.9Å; L647-P696 HydrophobicContact CB-CB 3.85Å; L647-P696 HydrophobicContact CB-CG 4.34Å; L647-P696 HydrophobicContact CD1-CB 4.1Å
648T95.9Very high94.7Very high0 Ų052 Ų520%029%0.289CS..EExtended strand (participates in β ladder)trans-137.4136.1170.954.40000109.9D646 L687 D688 I689 P696 N699 L700D646-T648 PolarHBondContact O-N 3.26Å; T648-L687 HydrophobicContact CG2-CD2 4.11Å; T648-D688 CarbonylContact C-O 3.52Å; T648-D688 WeakPolarHBondContact CA-O 2.86Å; T648-I689 HydrophobicContact CG2-CG1 4.12Å; T648-P696 HydrophobicContact CG2-CB 4.33Å; T648-P696 HydrophobicContact CG2-CG 3.65Å; T648-N699 WeakPolarHBondContact OG1-CB 3.02Å; T648-N699 PolarHBondContact OG1-O 2.91Å; T648-L700 HydrophobicContact CG2-CB 4.46Å
649N95.4Very high94.9Very high25 Ų2551.1 Ų51.113%0.13429%0.285CS..EExtended strand (participates in β ladder)trans-116.9118.6179.3-83.474.7000109.8N644 D646 L687 D688 H690N644-N649 PolarHBondContact O-ND2 2.95Å; D646-N649 PolarHBondContact N-OD1 3.05Å; D646-N649 PolarHBondContact O-OD1 2.78Å; N649-L687 WeakPolarHBondContact O-CA 3.08Å; N649-D688 HydrophobicContact CB-CB 4.39Å; N649-D688 PolarHBondContact N-O 3.23Å; N649-D688 PolarHBondContact O-N 3.16Å; N649-H690 PolarHBondContact OD1-CE1 2.76Å; N649-H690 PolarHBondContact OD1-ND1 2.69Å
650Y97.8Very high95.1Very high53 Ų5344.1 Ų44.121%0.20825%0.247CC..EExtended strand (participates in β ladder)trans-86.7139.7169.1-178.5-101.4000110.9D653 A656 V659 G685 F686 K703 P705Y650-D653 PolarHBondContact OH-O 3.35Å; Y650-A656 WeakPolarHBondContact OH-CB 3.49Å; Y650-V659 HydrophobicContact CE2-CG2 4.25Å; Y650-G685 WeakPolarHBondContact OH-CA 3.18Å; Y650-F686 CarbonylContact C-O 3.57Å; Y650-F686 WeakPolarHBondContact CA-O 3.28Å; Y650-F686 WeakPolarHBondContact CD2-O 3.34Å; Y650-K703 WeakPolarHBondContact CB-O 3.5Å; Y650-P705 HydrophobicContact CE1-CG 4Å; Y650-P705 HydrophobicContact CE2-CG 3.77Å; Y650-P705 VanDerWaalsContact CZ-CG 3.43Å; Y650-P705 WeakPolarHBondContact OH-CG 3.49Å
651Y97.5Very high95.5Very high85 Ų8540.8 Ų40.833%0.33323%0.23SC..EExtended strand (participates in β ladder)trans-141.2131.5176.1-173.2-91.3000110.2Q671 V674 D675 G685 F686Y651-Q671 HydrophobicContact CD1-CB 4.04Å; Y651-Q671 HydrophobicContact CD1-CG 3.81Å; Y651-Q671 HydrophobicContact CE1-CB 4.03Å; Y651-Q671 HydrophobicContact CE1-CG 4.27Å; Y651-Q671 HydrophobicContact CG-CG 3.99Å; Y651-V674 HydrophobicContact CD1-CB 4.44Å; Y651-V674 HydrophobicContact CD1-CG1 4.05Å; Y651-V674 HydrophobicContact CE1-CG1 4.23Å; Y651-D675 WeakPolarHBondContact CE1-OD1 3.39Å; Y651-D675 VanDerWaalsContact CZ-OD1 3.31Å; Y651-D675 PolarHBondContact OH-OD1 3.43Å; Y651-D675 PolarHBondContact OH-OD2 3.11Å; Y651-G685 CarbonylContact O-C 3.51Å; Y651-G685 WeakPolarHBondContact O-CA 3.44Å; Y651-F686 PolarHBondContact N-O 3.01Å; Y651-F686 PolarHBondContact O-N 3.29Å
652G97.7Very high95.9Very high28 Ų2837.8 Ų37.829%0.28922%0.218SC..EExtended strand (participates in β ladder)trans130.1-161.2178.100000113
653D98Very high96.1Very high41 Ų4136.1 Ų36.122%0.21919%0.191CC..  trans-66.5131.5-175.9-167.7-67.5000110.5Y650 E655 A656 N678 K683 V684Y650-D653 PolarHBondContact OH-O 3.35Å; D653-E655 PolarHBondContact O-N 3.39Å; D653-E655 VanDerWaalsContact O-N 3.15Å; D653-E655 WeakPolarHBondContact OD1-CA 3.47Å; D653-E655 PolarHBondContact OD1-N 3.4Å; D653-A656 HydrophobicContact CB-CB 4.39Å; D653-A656 WeakPolarHBondContact O-CB 3.35Å; D653-A656 PolarHBondContact O-N 3.25Å; D653-A656 VanDerWaalsContact O-N 3.08Å; D653-N678 PolarHBondContact N-ND2 2.86Å; D653-K683 HydrophobicContact CB-CB 4.35Å; D653-V684 PolarHBondContact N-O 2.95Å; D653-V684 VanDerWaalsContact N-O 3.1Å
654P97Very high95.9Very high106 Ų10635 Ų3569%0.68819%0.187SC*.THydrogen-bonded Turntrans-64.6-16.3179.927.3-35.6000113.7P705P654-P705 WeakPolarHBondContact O-CB 3.18Å
655E96.6Very high95.4Very high102 Ų10229.9 Ų29.948%0.47716%0.161SC..THydrogen-bonded Turntrans-112.130.7174-58.8-172.8126.200111.8D653 T657 K683 T707D653-E655 PolarHBondContact O-N 3.39Å; D653-E655 VanDerWaalsContact O-N 3.15Å; D653-E655 WeakPolarHBondContact OD1-CA 3.47Å; D653-E655 PolarHBondContact OD1-N 3.4Å; E655-T657 PolarHBondContact O-N 2.84Å; E655-K683 HydrophobicContact CB-CD 4.29Å; E655-K683 IonicContact OE2-NZ 3.69Å; E655-K683 PolarHBondContact OE2-NZ 3.34Å; E655-T707 VanDerWaalsContact CA-OG1 3.23Å; E655-T707 WeakPolarHBondContact CA-OG1 3.41Å; E655-T707 HydrophobicContact CB-CG2 4.29Å; E655-T707 PolarHBondContact O-OG1 3.39Å
656A97.8Very high95.2Very high0 Ų027.8 Ų27.80%015%0.153CC..  trans-57.1136-179.500000112.4Y650 D653 V659 K683 P705 T707 V708Y650-A656 WeakPolarHBondContact OH-CB 3.49Å; D653-A656 HydrophobicContact CB-CB 4.39Å; D653-A656 WeakPolarHBondContact O-CB 3.35Å; D653-A656 PolarHBondContact O-N 3.25Å; D653-A656 VanDerWaalsContact O-N 3.08Å; A656-V659 HydrophobicContact CB-CG2 4.15Å; A656-K683 VanDerWaalsContact CA-O 3.27Å; A656-K683 WeakPolarHBondContact CA-O 3.11Å; A656-P705 HydrophobicContact CB-CG 4.3Å; A656-T707 CarbonylContact O-C 3.58Å; A656-T707 PolarHBondContact O-OG1 3.15Å; A656-V708 PolarHBondContact O-N 3.45Å
657T97.2Very high95Very high35 Ų3527.1 Ų27.122%0.21515%0.149CC..SBendtrans-96.1-29.1174.948.30000111.6E655 K683 E709 K710E655-T657 PolarHBondContact O-N 2.84Å; T657-K683 PolarHBondContact N-O 2.93Å; T657-E709 PolarHBondContact O-N 3.19Å; T657-K710 PolarHBondContact O-N 3.13Å; T657-K710 VanDerWaalsContact O-N 3.15Å
658E97.9Very high94.8Very high18 Ų1828.5 Ų28.58%0.08416%0.159CC..EExtended strand (participates in β ladder)trans-117.2128.1175-54.393.2-136.700111.3R682 V684 G685 K710 F765 L768E658-R682 IonicContact OE2-CZ 2.7Å; E658-R682 IonicContact OE2-NE 3.45Å; E658-R682 IonicContact OE2-NH2 3.7Å; E658-R682 PolarHBondContact OE2-NH2 3.49Å; E658-V684 HydrophobicContact CB-CG1 4.3Å; E658-V684 WeakPolarHBondContact O-CA 3.49Å; E658-G685 PolarHBondContact O-N 3.03Å; E658-K710 WeakPolarHBondContact CA-O 3.36Å; E658-F765 HydrophobicContact CB-CD1 4.22Å; E658-L768 HydrophobicContact CB-CB 4.32Å; E658-L768 HydrophobicContact CB-CD1 3.98Å; E658-L768 HydrophobicContact CG-CB 3.99Å
659V98.5Very high94.8Very high0 Ų028.6 Ų28.60%016%0.159CC..EExtended strand (participates in β ladder)trans-127136.6180176.80000111.4Y650 A656 I661 G685 L687 L704 V708 K710 V711 A712Y650-V659 HydrophobicContact CE2-CG2 4.25Å; A656-V659 HydrophobicContact CB-CG2 4.15Å; V659-I661 HydrophobicContact CG1-CG1 4.23Å; V659-G685 VanDerWaalsContact CA-O 3.31Å; V659-G685 WeakPolarHBondContact CA-O 3.39Å; V659-L687 HydrophobicContact CG1-CB 4.43Å; V659-L704 HydrophobicContact CB-CD2 4.41Å; V659-L704 HydrophobicContact CG1-CD2 3.84Å; V659-L704 HydrophobicContact CG2-CD2 4.39Å; V659-V708 HydrophobicContact CB-CG2 4.13Å; V659-V708 HydrophobicContact CG2-CB 4.48Å; V659-V708 HydrophobicContact CG2-CG2 3.77Å; V659-K710 PolarHBondContact N-O 3.43Å; V659-V711 HydrophobicContact CB-CG2 4.49Å; V659-V711 CarbonylContact O-C 3.55Å; V659-V711 VanDerWaalsContact O-CA 3.25Å; V659-V711 WeakPolarHBondContact O-CA 3.17Å; V659-A712 PolarHBondContact O-N 3.05Å
660I98.7Very high94.9Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-94137.8164.5-69.8179000109.3I670 G685 F686 L687 A712 L714 I761 V764 F765I660-I670 HydrophobicContact CB-CG2 4.34Å; I660-I670 HydrophobicContact CG2-CD1 4.09Å; I660-I670 HydrophobicContact CG2-CG2 4.24Å; I660-G685 PolarHBondContact N-O 3.33Å; I660-F686 HydrophobicContact CB-CD2 4.33Å; I660-F686 HydrophobicContact CG2-CD2 4.15Å; I660-F686 CarbonylContact O-C 3.6Å; I660-F686 VanDerWaalsContact O-CA 3.29Å; I660-F686 WeakPolarHBondContact O-CA 3.28Å; I660-F686 VanDerWaalsContact O-CD2 3.3Å; I660-F686 WeakPolarHBondContact O-CD2 3.27Å; I660-L687 PolarHBondContact O-N 3.42Å; I660-A712 CarbonylContact C-O 3.53Å; I660-A712 VanDerWaalsContact CA-O 3.29Å; I660-A712 WeakPolarHBondContact CA-O 3.39Å; I660-A712 HydrophobicContact CG1-CB 4.3Å; I660-L714 HydrophobicContact CG2-CD1 3.72Å; I660-L714 HydrophobicContact CG2-CG 3.97Å; I660-I761 HydrophobicContact CD1-CG2 3.78Å; I660-V764 HydrophobicContact CD1-CB 4.01Å; I660-V764 HydrophobicContact CD1-CG1 3.81Å; I660-V764 HydrophobicContact CG1-CG1 4.12Å; I660-F765 HydrophobicContact CB-CZ 4.14Å; I660-F765 HydrophobicContact CD1-CD1 4.4Å; I660-F765 HydrophobicContact CD1-CD2 3.76Å; I660-F765 HydrophobicContact CD1-CE1 4.05Å; I660-F765 HydrophobicContact CD1-CE2 3.39Å; I660-F765 HydrophobicContact CD1-CG 4.27Å; I660-F765 HydrophobicContact CD1-CZ 3.54Å; I660-F765 HydrophobicContact CG1-CD1 4.38Å; I660-F765 HydrophobicContact CG1-CE1 3.8Å; I660-F765 HydrophobicContact CG1-CE2 4.02Å; I660-F765 HydrophobicContact CG1-CZ 3.6Å
661I98.5Very high94.8Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-117.2126170.1-54.7-170.2000108.3V659 L687 I689 L700 L704 V711 A712 V713 L714 V731V659-I661 HydrophobicContact CG1-CG1 4.23Å; I661-L687 WeakPolarHBondContact CA-O 3.44Å; I661-L687 HydrophobicContact CG1-CB 4.14Å; I661-L687 HydrophobicContact CG2-CD2 4.02Å; I661-I689 HydrophobicContact CG2-CD1 3.62Å; I661-I689 HydrophobicContact CG2-CG1 4.24Å; I661-L700 HydrophobicContact CD1-CD1 4.43Å; I661-L704 HydrophobicContact CD1-CD1 4.45Å; I661-L704 HydrophobicContact CD1-CD2 4.47Å; I661-V711 HydrophobicContact CD1-CG1 3.73Å; I661-V711 HydrophobicContact CG1-CG1 3.73Å; I661-A712 PolarHBondContact N-O 3.2Å; I661-V713 HydrophobicContact CB-CG2 4.46Å; I661-V713 CarbonylContact O-C 3.57Å; I661-V713 WeakPolarHBondContact O-CA 3.31Å; I661-L714 PolarHBondContact O-N 3.5Å; I661-V731 HydrophobicContact CD1-CG1 3.93Å; I661-V731 HydrophobicContact CD1-CG2 4.44Å; I661-V731 HydrophobicContact CG2-CG2 4.08Å
662A96.1Very high94.7Very high0 Ų023.8 Ų23.80%014%0.141CC..EExtended strand (participates in β ladder)trans-149.9-178.517900000110.5I670 F686 L687 I689 L714A662-I670 HydrophobicContact CB-CD1 3.79Å; A662-F686 HydrophobicContact CB-CE2 3.87Å; A662-F686 HydrophobicContact CB-CZ 4.49Å; A662-L687 PolarHBondContact N-O 3.05Å; A662-I689 PolarHBondContact O-N 3.11Å; A662-L714 HydrophobicContact CB-CB 4.06Å
663M91.2Very high94.7Very high40 Ų4022.5 Ų22.520%0.19713%0.127CC..  trans-146.3146.7172.962.1-179.9-63.900112.5H535 I689 Y692 L727H535-M663 PolarHBondContact ND1-O 2.7Å; M663-I689 HydrophobicContact CB-CB 4.29Å; M663-I689 WeakPolarHBondContact CB-O 3.41Å; M663-Y692 HydrophobicContact SD-CD2 4.44Å; M663-L727 HydrophobicContact CG-CD2 4.27Å
664G86.3Confident94.7Very high13 Ų1320.5 Ų20.513%0.13412%0.117CC..SBendtrans85.9-141170.900000114.2A666 S667G664-A666 VanDerWaalsContact C-N 3.26Å; G664-A666 PolarHBondContact O-N 3.37Å; G664-A666 VanDerWaalsContact O-N 3.09Å; G664-S667 WeakPolarHBondContact O-CB 3.39Å; G664-S667 PolarHBondContact O-N 3.14Å; G664-S667 VanDerWaalsContact O-N 3.14Å; G664-S667 PolarHBondContact O-OG 2.95Å
665S82.1Confident94.8Very high16 Ų1618.7 Ų18.711%0.11210%0.101CC..THydrogen-bonded Turntrans-73.1-6.6-161.451.10000116.4D534 R716 T866D534-S665 PolarHBondContact O-OG 3.25Å; S665-R716 PolarHBondContact OG-NH1 3.15Å; S665-T866 PolarHBondContact O-OG1 2.87Å
666A88Confident94.8Very high2 Ų218.1 Ų18.12%0.01710%0.095CC..THydrogen-bonded Turntrans-85.3-13.417300000113.4G664 T669 I670 Y749G664-A666 VanDerWaalsContact C-N 3.26Å; G664-A666 PolarHBondContact O-N 3.37Å; G664-A666 VanDerWaalsContact O-N 3.09Å; A666-T669 PolarHBondContact O-N 3.01Å; A666-I670 HydrophobicContact CB-CD1 4.13Å; A666-I670 WeakPolarHBondContact O-CG1 3.31Å; A666-I670 PolarHBondContact O-N 3.21Å; A666-Y749 HydrophobicContact CB-CD2 4.49Å; A666-Y749 HydrophobicContact CB-CE2 3.48Å; A666-Y749 VanDerWaalsContact CB-CE2 3.48Å
667S91.9Very high94.8Very high4 Ų418.7 Ų18.73%0.02810%0.098CC..Hα-helixtrans-52.9-46-177.5-57.30000113.2G664 T669 I670 Q671 F686 D688G664-S667 WeakPolarHBondContact O-CB 3.39Å; G664-S667 PolarHBondContact O-N 3.14Å; G664-S667 VanDerWaalsContact O-N 3.14Å; G664-S667 PolarHBondContact O-OG 2.95Å; S667-T669 PolarHBondContact O-N 3.38Å; S667-I670 PolarHBondContact O-N 3.42Å; S667-Q671 WeakPolarHBondContact O-CG 3.36Å; S667-Q671 PolarHBondContact O-N 3.38Å; S667-F686 WeakPolarHBondContact OG-CZ 3.39Å; S667-D688 WeakPolarHBondContact CB-OD2 3.31Å; S667-D688 PolarHBondContact OG-OD1 2.86Å; S667-D688 VanDerWaalsContact OG-OD1 3.07Å; S667-D688 PolarHBondContact OG-OD2 2.93Å
668P91.6Very high94.9Very high31 Ų3118.8 Ų18.820%0.20110%0.098CC..Hα-helixtrans-62.8-43.4178.2-24.737.7000113.7I670 Q671 Q672 L864 T866P668-I670 VanDerWaalsContact C-N 3.31Å; P668-I670 PolarHBondContact O-N 3.24Å; P668-Q671 PolarHBondContact O-N 3.32Å; P668-Q672 PolarHBondContact O-N 2.98Å; P668-L864 HydrophobicContact CB-CB 4.15Å; P668-L864 WeakPolarHBondContact CB-O 3.27Å; P668-T866 HydrophobicContact CB-CG2 4Å; P668-T866 HydrophobicContact CG-CG2 3.99Å
669T94.4Very high94.8Very high1 Ų122.1 Ų22.11%0.00613%0.128CC..Hα-helixtrans-60.9-40.3174.9-56.30000111.6A666 S667 T673 V756 P758 I761 T866 Y867A666-T669 PolarHBondContact O-N 3.01Å; S667-T669 PolarHBondContact O-N 3.38Å; T669-T673 WeakPolarHBondContact O-CB 3.33Å; T669-T673 PolarHBondContact O-N 2.9Å; T669-T673 VanDerWaalsContact O-N 3.11Å; T669-T673 PolarHBondContact O-OG1 3.22Å; T669-V756 WeakPolarHBondContact CG2-O 3.3Å; T669-P758 HydrophobicContact CG2-CG 4.11Å; T669-I761 HydrophobicContact CG2-CG1 4.21Å; T669-T866 PolarHBondContact OG1-OG1 3.08Å; T669-Y867 HydrophobicContact CG2-CD1 4.05Å; T669-Y867 HydrophobicContact CG2-CE1 4.45Å
670I97.1Very high94.7Very high0 Ų027.1 Ų27.10%016%0.155CC..Hα-helixtrans-67.5-42.9179-61.9163.1000110.2I660 A662 A666 S667 P668 T673 V674 F686 L714 I761I660-I670 HydrophobicContact CB-CG2 4.34Å; I660-I670 HydrophobicContact CG2-CD1 4.09Å; I660-I670 HydrophobicContact CG2-CG2 4.24Å; A662-I670 HydrophobicContact CB-CD1 3.79Å; A666-I670 HydrophobicContact CB-CD1 4.13Å; A666-I670 WeakPolarHBondContact O-CG1 3.31Å; A666-I670 PolarHBondContact O-N 3.21Å; S667-I670 PolarHBondContact O-N 3.42Å; P668-I670 VanDerWaalsContact C-N 3.31Å; P668-I670 PolarHBondContact O-N 3.24Å; I670-T673 WeakPolarHBondContact O-CB 3.25Å; I670-T673 PolarHBondContact O-N 2.88Å; I670-T673 VanDerWaalsContact O-N 3.13Å; I670-V674 HydrophobicContact CG2-CG2 4.36Å; I670-V674 WeakPolarHBondContact O-CG2 3.26Å; I670-V674 PolarHBondContact O-N 3.21Å; I670-F686 HydrophobicContact CB-CD1 4.41Å; I670-F686 HydrophobicContact CB-CD2 4.16Å; I670-F686 HydrophobicContact CB-CE2 4.33Å; I670-F686 HydrophobicContact CB-CG 4.23Å; I670-F686 HydrophobicContact CD1-CD2 4.25Å; I670-F686 HydrophobicContact CD1-CE2 3.8Å; I670-F686 HydrophobicContact CD1-CZ 4.24Å; I670-F686 HydrophobicContact CG2-CB 3.8Å; I670-F686 HydrophobicContact CG2-CD1 4.11Å; I670-F686 HydrophobicContact CG2-CD2 3.44Å; I670-F686 VanDerWaalsContact CG2-CD2 3.44Å; I670-F686 HydrophobicContact CG2-CE2 4.06Å; I670-F686 HydrophobicContact CG2-CG 3.49Å; I670-F686 VanDerWaalsContact CG2-CG 3.49Å; I670-L714 HydrophobicContact CD1-CD1 4.23Å; I670-I761 HydrophobicContact CG1-CD1 3.91Å; I670-I761 HydrophobicContact CG1-CG1 4.11Å; I670-I761 HydrophobicContact CG1-CG2 4.22Å; I670-I761 HydrophobicContact CG2-CG2 4.29Å
671Q96.6Very high94.6Very high46 Ų4630.3 Ų30.322%0.21519%0.188CC..Hα-helixtrans-58.3-49.3176.1-72.8174.36.900112.2Y651 S667 P668 T673 V674 D675 F686Y651-Q671 HydrophobicContact CD1-CB 4.04Å; Y651-Q671 HydrophobicContact CD1-CG 3.81Å; Y651-Q671 HydrophobicContact CE1-CB 4.03Å; Y651-Q671 HydrophobicContact CE1-CG 4.27Å; Y651-Q671 HydrophobicContact CG-CG 3.99Å; S667-Q671 WeakPolarHBondContact O-CG 3.36Å; S667-Q671 PolarHBondContact O-N 3.38Å; P668-Q671 PolarHBondContact O-N 3.32Å; Q671-T673 PolarHBondContact O-N 2.86Å; Q671-V674 WeakPolarHBondContact O-CB 3.23Å; Q671-V674 PolarHBondContact O-N 2.81Å; Q671-V674 VanDerWaalsContact O-N 3.14Å; Q671-D675 PolarHBondContact O-N 2.77Å; Q671-F686 HydrophobicContact CG-CD1 3.76Å; Q671-F686 HydrophobicContact CG-CE1 4.1Å
672Q96.2Very high94.6Very high17 Ų1732.6 Ų32.68%0.07920%0.197CC..Hα-helixtrans-57.7-38.5175.7-71.9-178.6-58.200111.8P668 D675 Y676 L800 L864 S865P668-Q672 PolarHBondContact O-N 2.98Å; Q672-D675 PolarHBondContact O-N 3.02Å; Q672-Y676 WeakPolarHBondContact O-CB 3.35Å; Q672-Y676 PolarHBondContact O-N 3.43Å; Q672-L800 HydrophobicContact CB-CB 4.23Å; Q672-L800 HydrophobicContact CB-CD1 4.13Å; Q672-L800 PolarHBondContact NE2-O 3.29Å; Q672-L800 WeakPolarHBondContact O-CD1 3.09Å; Q672-L864 HydrophobicContact CG-CB 3.9Å; Q672-L864 HydrophobicContact CG-CD1 4.45Å; Q672-L864 PolarHBondContact OE1-O 3.14Å; Q672-S865 PolarHBondContact NE2-OG 3.08Å
673T97.6Very high94.7Very high0 Ų036.6 Ų36.60%021%0.214CC..Hα-helixtrans-69.5-39.7179-54.80000111.9T669 I670 Q671 Y676 L677 I761 V762 F765T669-T673 WeakPolarHBondContact O-CB 3.33Å; T669-T673 PolarHBondContact O-N 2.9Å; T669-T673 VanDerWaalsContact O-N 3.11Å; T669-T673 PolarHBondContact O-OG1 3.22Å; I670-T673 WeakPolarHBondContact O-CB 3.25Å; I670-T673 PolarHBondContact O-N 2.88Å; I670-T673 VanDerWaalsContact O-N 3.13Å; Q671-T673 PolarHBondContact O-N 2.86Å; T673-Y676 PolarHBondContact O-N 2.8Å; T673-L677 HydrophobicContact CG2-CD1 4.11Å; T673-L677 HydrophobicContact CG2-CG 4.43Å; T673-L677 WeakPolarHBondContact O-CB 3.43Å; T673-L677 WeakPolarHBondContact O-CG 3.47Å; T673-L677 PolarHBondContact O-N 2.81Å; T673-I761 HydrophobicContact CG2-CB 3.89Å; T673-I761 HydrophobicContact CG2-CG2 3.63Å; T673-V762 HydrophobicContact CG2-CG2 3.59Å; T673-F765 HydrophobicContact CG2-CD2 4.41Å
674V98.4Very high95Very high0 Ų034.7 Ų34.70%021%0.205CC..Hα-helixtrans-60.8-46.3173.4164.50000110.4Y651 I670 Q671 Y676 L677 N678 V684 F686 F765Y651-V674 HydrophobicContact CD1-CB 4.44Å; Y651-V674 HydrophobicContact CD1-CG1 4.05Å; Y651-V674 HydrophobicContact CE1-CG1 4.23Å; I670-V674 HydrophobicContact CG2-CG2 4.36Å; I670-V674 WeakPolarHBondContact O-CG2 3.26Å; I670-V674 PolarHBondContact O-N 3.21Å; Q671-V674 WeakPolarHBondContact O-CB 3.23Å; Q671-V674 PolarHBondContact O-N 2.81Å; Q671-V674 VanDerWaalsContact O-N 3.14Å; V674-Y676 VanDerWaalsContact C-N 3.34Å; V674-Y676 PolarHBondContact O-N 2.89Å; V674-L677 PolarHBondContact O-N 3.29Å; V674-N678 WeakPolarHBondContact CG1-ND2 3.26Å; V674-N678 VanDerWaalsContact O-CB 3.31Å; V674-N678 WeakPolarHBondContact O-CB 3.46Å; V674-N678 VanDerWaalsContact O-CG 3.29Å; V674-N678 PolarHBondContact O-N 2.83Å; V674-N678 PolarHBondContact O-ND2 2.89Å; V674-V684 HydrophobicContact CB-CG2 4.42Å; V674-V684 HydrophobicContact CG1-CG2 4.26Å; V674-V684 HydrophobicContact CG2-CG2 4.3Å; V674-F686 HydrophobicContact CG2-CB 3.93Å; V674-F765 HydrophobicContact CG2-CE2 3.9Å; V674-F765 HydrophobicContact CG2-CZ 3.7Å
675D97.7Very high95.6Very high68 Ų6834.1 Ų34.136%0.36420%0.198SC..Hα-helixtrans-58.6-46.6175.8-72.1-25000111.9Y651 Q671 Q672 L677 N678 A679Y651-D675 WeakPolarHBondContact CE1-OD1 3.39Å; Y651-D675 VanDerWaalsContact CZ-OD1 3.31Å; Y651-D675 PolarHBondContact OH-OD1 3.43Å; Y651-D675 PolarHBondContact OH-OD2 3.11Å; Q671-D675 PolarHBondContact O-N 2.77Å; Q672-D675 PolarHBondContact O-N 3.02Å; D675-L677 PolarHBondContact O-N 3.11Å; D675-N678 PolarHBondContact O-N 2.89Å; D675-A679 WeakPolarHBondContact O-CB 3.42Å; D675-A679 PolarHBondContact O-N 2.87Å
676Y97.2Very high96.4Very high90 Ų9033.3 Ų33.335%0.35319%0.193SC..Hα-helixtrans-59.9-46.3177.7170.1-102000112.3Q672 T673 V674 N680 V762 L798 L800Q672-Y676 WeakPolarHBondContact O-CB 3.35Å; Q672-Y676 PolarHBondContact O-N 3.43Å; T673-Y676 PolarHBondContact O-N 2.8Å; V674-Y676 VanDerWaalsContact C-N 3.34Å; V674-Y676 PolarHBondContact O-N 2.89Å; Y676-N680 VanDerWaalsContact CE2-ND2 3.33Å; Y676-N680 WeakPolarHBondContact CE2-ND2 3.47Å; Y676-N680 PolarHBondContact O-N 3.14Å; Y676-N680 PolarHBondContact O-ND2 2.79Å; Y676-V762 HydrophobicContact CD1-CG2 4.48Å; Y676-L798 HydrophobicContact CD1-CD2 3.96Å; Y676-L798 HydrophobicContact CE1-CD2 3.75Å; Y676-L798 HydrophobicContact CE2-CD1 4.47Å; Y676-L800 HydrophobicContact CD2-CD2 3.68Å; Y676-L800 HydrophobicContact CE2-CD2 4.36Å; Y676-L800 HydrophobicContact CG-CD1 4.2Å; Y676-L800 HydrophobicContact CG-CD2 3.81Å
677L97.9Very high96.8Very high11 Ų1133.2 Ų33.26%0.05819%0.192CC..Hα-helixtrans-70-41.3-179.6-70.6175.4000112T673 V674 D675 N680 G681 R682 V684 V762 F765T673-L677 HydrophobicContact CG2-CD1 4.11Å; T673-L677 HydrophobicContact CG2-CG 4.43Å; T673-L677 WeakPolarHBondContact O-CB 3.43Å; T673-L677 WeakPolarHBondContact O-CG 3.47Å; T673-L677 PolarHBondContact O-N 2.81Å; V674-L677 PolarHBondContact O-N 3.29Å; D675-L677 PolarHBondContact O-N 3.11Å; L677-N680 CarbonylContact O-C 3.43Å; L677-N680 WeakPolarHBondContact O-CA 3.49Å; L677-N680 PolarHBondContact O-N 2.76Å; L677-G681 PolarHBondContact O-N 3.39Å; L677-R682 HydrophobicContact CB-CB 4.12Å; L677-R682 HydrophobicContact CB-CG 4.28Å; L677-R682 HydrophobicContact CD2-CG 4.49Å; L677-R682 WeakPolarHBondContact O-CB 3.32Å; L677-R682 PolarHBondContact O-N 3.4Å; L677-R682 VanDerWaalsContact O-N 3.08Å; L677-V684 HydrophobicContact CB-CG2 3.64Å; L677-V684 HydrophobicContact CD1-CG2 4.14Å; L677-V762 HydrophobicContact CD2-CG2 4.38Å; L677-F765 HydrophobicContact CD1-CB 3.66Å; L677-F765 HydrophobicContact CD1-CD2 3.39Å; L677-F765 HydrophobicContact CD1-CE2 4.14Å; L677-F765 HydrophobicContact CD1-CG 3.66Å
678N98.3Very high97Very high38 Ų3833.7 Ų33.720%0.20319%0.194CC..Hα-helixtrans-65.3-40.4177-72.5-16.5000111.7D653 V674 D675 N680 G681 R682 V684D653-N678 PolarHBondContact N-ND2 2.86Å; V674-N678 WeakPolarHBondContact CG1-ND2 3.26Å; V674-N678 VanDerWaalsContact O-CB 3.31Å; V674-N678 WeakPolarHBondContact O-CB 3.46Å; V674-N678 VanDerWaalsContact O-CG 3.29Å; V674-N678 PolarHBondContact O-N 2.83Å; V674-N678 PolarHBondContact O-ND2 2.89Å; D675-N678 PolarHBondContact O-N 2.89Å; N678-N680 PolarHBondContact O-N 2.82Å; N678-G681 PolarHBondContact O-N 2.79Å; N678-R682 WeakPolarHBondContact CA-O 3.33Å; N678-R682 PolarHBondContact OD1-O 3.32Å; N678-V684 PolarHBondContact ND2-O 3.11Å; N678-V684 WeakPolarHBondContact OD1-CG2 3.41Å; N678-V684 PolarHBondContact OD1-N 3.19Å; N678-V684 PolarHBondContact OD1-O 3.26Å
679A97.1Very high97.2Very high88 Ų8832.3 Ų32.373%0.72719%0.185SC*.Hα-helixtrans-61-25.417200000112.8D675 G681D675-A679 WeakPolarHBondContact O-CB 3.42Å; D675-A679 PolarHBondContact O-N 2.87Å; A679-G681 VanDerWaalsContact C-N 3.33Å
680N96.6Very high97.1Very high104 Ų10433.9 Ų33.956%0.55619%0.193SC*.THydrogen-bonded Turntrans-92.216.6173.3-73.1-63.6000113.5Y676 L677 N678Y676-N680 VanDerWaalsContact CE2-ND2 3.33Å; Y676-N680 WeakPolarHBondContact CE2-ND2 3.47Å; Y676-N680 PolarHBondContact O-N 3.14Å; Y676-N680 PolarHBondContact O-ND2 2.79Å; L677-N680 CarbonylContact O-C 3.43Å; L677-N680 WeakPolarHBondContact O-CA 3.49Å; L677-N680 PolarHBondContact O-N 2.76Å; N678-N680 PolarHBondContact O-N 2.82Å
681G96.4Very high97Very high68 Ų6834.5 Ų34.570%0.70120%0.196SC*.THydrogen-bonded Turntrans82.78.7171.500000115.6L677 N678 A679L677-G681 PolarHBondContact O-N 3.39Å; N678-G681 PolarHBondContact O-N 2.79Å; A679-G681 VanDerWaalsContact C-N 3.33Å
682R97.6Very high96.9Very high47 Ų4735.6 Ų35.618%0.17720%0.198CC..  trans-75.3159167.7-64.1-75.7-61.1-86.4-2.2110E658 L677 N678 V684 F765 N766E658-R682 IonicContact OE2-CZ 2.7Å; E658-R682 IonicContact OE2-NE 3.45Å; E658-R682 IonicContact OE2-NH2 3.7Å; E658-R682 PolarHBondContact OE2-NH2 3.49Å; L677-R682 HydrophobicContact CB-CB 4.12Å; L677-R682 HydrophobicContact CB-CG 4.28Å; L677-R682 HydrophobicContact CD2-CG 4.49Å; L677-R682 WeakPolarHBondContact O-CB 3.32Å; L677-R682 PolarHBondContact O-N 3.4Å; L677-R682 VanDerWaalsContact O-N 3.08Å; N678-R682 WeakPolarHBondContact CA-O 3.33Å; N678-R682 PolarHBondContact OD1-O 3.32Å; R682-V684 HydrophobicContact CB-CG1 4.11Å; R682-F765 PolarHBondContact NH2-O 2.85Å; R682-F765 VanDerWaalsContact NH2-O 3.12Å; R682-N766 PolarHBondContact NH1-OD1 3.03Å
683K97.7Very high96.8Very high85 Ų8540.6 Ų40.637%0.3722%0.216SC..  trans-114.179.4170.9-66.3-167.9175.7-169.60109.4D653 E655 A656 T657D653-K683 HydrophobicContact CB-CB 4.35Å; E655-K683 HydrophobicContact CB-CD 4.29Å; E655-K683 IonicContact OE2-NZ 3.69Å; E655-K683 PolarHBondContact OE2-NZ 3.34Å; A656-K683 VanDerWaalsContact CA-O 3.27Å; A656-K683 WeakPolarHBondContact CA-O 3.11Å; T657-K683 PolarHBondContact N-O 2.93Å
684V98.6Very high96.7Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-115.2152.3-176.9-63.20000111.9D653 E658 V674 L677 N678 R682 F765D653-V684 PolarHBondContact N-O 2.95Å; D653-V684 VanDerWaalsContact N-O 3.1Å; E658-V684 HydrophobicContact CB-CG1 4.3Å; E658-V684 WeakPolarHBondContact O-CA 3.49Å; V674-V684 HydrophobicContact CB-CG2 4.42Å; V674-V684 HydrophobicContact CG1-CG2 4.26Å; V674-V684 HydrophobicContact CG2-CG2 4.3Å; L677-V684 HydrophobicContact CB-CG2 3.64Å; L677-V684 HydrophobicContact CD1-CG2 4.14Å; N678-V684 PolarHBondContact ND2-O 3.11Å; N678-V684 WeakPolarHBondContact OD1-CG2 3.41Å; N678-V684 PolarHBondContact OD1-N 3.19Å; N678-V684 PolarHBondContact OD1-O 3.26Å; R682-V684 HydrophobicContact CB-CG1 4.11Å; V684-F765 HydrophobicContact CB-CD1 3.88Å; V684-F765 HydrophobicContact CB-CE1 3.56Å; V684-F765 HydrophobicContact CB-CZ 4Å; V684-F765 HydrophobicContact CG1-CD1 3.58Å; V684-F765 HydrophobicContact CG1-CE1 3.82Å; V684-F765 HydrophobicContact CG1-CG 4.21Å; V684-F765 HydrophobicContact CG2-CE1 4.34Å; V684-F765 HydrophobicContact CG2-CZ 4.35Å
685G98.5Very high96.6Very high0 Ų043.7 Ų43.70%023%0.233CC..EExtended strand (participates in β ladder)trans-135.2167-179.900000113.5Y650 Y651 E658 V659 I660 F765Y650-G685 WeakPolarHBondContact OH-CA 3.18Å; Y651-G685 CarbonylContact O-C 3.51Å; Y651-G685 WeakPolarHBondContact O-CA 3.44Å; E658-G685 PolarHBondContact O-N 3.03Å; V659-G685 VanDerWaalsContact CA-O 3.31Å; V659-G685 WeakPolarHBondContact CA-O 3.39Å; I660-G685 PolarHBondContact N-O 3.33Å; G685-F765 WeakPolarHBondContact O-CZ 3.49Å
686F98.6Very high96.5Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-140135.5176.8169.7-124.3000109.3Y650 Y651 I660 A662 S667 I670 Q671 V674 D688Y650-F686 CarbonylContact C-O 3.57Å; Y650-F686 WeakPolarHBondContact CA-O 3.28Å; Y650-F686 WeakPolarHBondContact CD2-O 3.34Å; Y651-F686 PolarHBondContact N-O 3.01Å; Y651-F686 PolarHBondContact O-N 3.29Å; I660-F686 HydrophobicContact CB-CD2 4.33Å; I660-F686 HydrophobicContact CG2-CD2 4.15Å; I660-F686 CarbonylContact O-C 3.6Å; I660-F686 VanDerWaalsContact O-CA 3.29Å; I660-F686 WeakPolarHBondContact O-CA 3.28Å; I660-F686 VanDerWaalsContact O-CD2 3.3Å; I660-F686 WeakPolarHBondContact O-CD2 3.27Å; A662-F686 HydrophobicContact CB-CE2 3.87Å; A662-F686 HydrophobicContact CB-CZ 4.49Å; S667-F686 WeakPolarHBondContact OG-CZ 3.39Å; I670-F686 HydrophobicContact CB-CD1 4.41Å; I670-F686 HydrophobicContact CB-CD2 4.16Å; I670-F686 HydrophobicContact CB-CE2 4.33Å; I670-F686 HydrophobicContact CB-CG 4.23Å; I670-F686 HydrophobicContact CD1-CD2 4.25Å; I670-F686 HydrophobicContact CD1-CE2 3.8Å; I670-F686 HydrophobicContact CD1-CZ 4.24Å; I670-F686 HydrophobicContact CG2-CB 3.8Å; I670-F686 HydrophobicContact CG2-CD1 4.11Å; I670-F686 HydrophobicContact CG2-CD2 3.44Å; I670-F686 VanDerWaalsContact CG2-CD2 3.44Å; I670-F686 HydrophobicContact CG2-CE2 4.06Å; I670-F686 HydrophobicContact CG2-CG 3.49Å; I670-F686 VanDerWaalsContact CG2-CG 3.49Å; Q671-F686 HydrophobicContact CG-CD1 3.76Å; Q671-F686 HydrophobicContact CG-CE1 4.1Å; V674-F686 HydrophobicContact CG2-CB 3.93Å; F686-D688 HydrophobicContact CE1-CB 3.75Å; F686-D688 HydrophobicContact CZ-CB 3.69Å
687L98.1Very high96.5Very high0 Ų037.1 Ų37.10%021%0.207CC..EExtended strand (participates in β ladder)trans-120.6117.5172.6-172.6149.9000109.7T648 N649 V659 I660 I661 A662 I689 L700 K703 L704T648-L687 HydrophobicContact CG2-CD2 4.11Å; N649-L687 WeakPolarHBondContact O-CA 3.08Å; V659-L687 HydrophobicContact CG1-CB 4.43Å; I660-L687 PolarHBondContact O-N 3.42Å; I661-L687 WeakPolarHBondContact CA-O 3.44Å; I661-L687 HydrophobicContact CG1-CB 4.14Å; I661-L687 HydrophobicContact CG2-CD2 4.02Å; A662-L687 PolarHBondContact N-O 3.05Å; L687-I689 HydrophobicContact CD2-CD1 4.42Å; L687-I689 HydrophobicContact CD2-CG1 3.8Å; L687-L700 HydrophobicContact CD1-CG 4.34Å; L687-L700 HydrophobicContact CD2-CD1 4.33Å; L687-L700 HydrophobicContact CD2-CG 4.32Å; L687-K703 HydrophobicContact CD1-CB 4.14Å; L687-L704 HydrophobicContact CB-CD2 4.43Å; L687-L704 HydrophobicContact CD1-CD2 3.75Å; L687-L704 HydrophobicContact CD1-CG 3.74Å
688D95.5Very high96.3Very high13 Ų1342.4 Ų42.47%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-93.3138.6176.8-160.9-4.9000110.6T648 N649 S667 F686 H690T648-D688 CarbonylContact C-O 3.52Å; T648-D688 WeakPolarHBondContact CA-O 2.86Å; N649-D688 HydrophobicContact CB-CB 4.39Å; N649-D688 PolarHBondContact N-O 3.23Å; N649-D688 PolarHBondContact O-N 3.16Å; S667-D688 WeakPolarHBondContact CB-OD2 3.31Å; S667-D688 PolarHBondContact OG-OD1 2.86Å; S667-D688 VanDerWaalsContact OG-OD1 3.07Å; S667-D688 PolarHBondContact OG-OD2 2.93Å; F686-D688 HydrophobicContact CE1-CB 3.75Å; F686-D688 HydrophobicContact CZ-CB 3.69Å; D688-H690 IonicContact OD2-NE2 2.75Å
689I95Very high96.2Very high2 Ų241.6 Ų41.61%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-111.7119.2179.7-61.9169.2000109.7T648 I661 A662 M663 L687 L691 F695 L700 L727T648-I689 HydrophobicContact CG2-CG1 4.12Å; I661-I689 HydrophobicContact CG2-CD1 3.62Å; I661-I689 HydrophobicContact CG2-CG1 4.24Å; A662-I689 PolarHBondContact O-N 3.11Å; M663-I689 HydrophobicContact CB-CB 4.29Å; M663-I689 WeakPolarHBondContact CB-O 3.41Å; L687-I689 HydrophobicContact CD2-CD1 4.42Å; L687-I689 HydrophobicContact CD2-CG1 3.8Å; I689-L691 VanDerWaalsContact CG2-O 3.26Å; I689-L691 WeakPolarHBondContact CG2-O 3.45Å; I689-F695 HydrophobicContact CD1-CE2 4.21Å; I689-F695 HydrophobicContact CD1-CZ 4.04Å; I689-L700 HydrophobicContact CD1-CD1 4.38Å; I689-L727 HydrophobicContact CD1-CD1 3.42Å; I689-L727 VanDerWaalsContact CD1-CD1 3.42Å; I689-L727 HydrophobicContact CD1-CD2 4.38Å; I689-L727 HydrophobicContact CD1-CG 4.43Å
690H93.6Very high96.2Very high35 Ų3537.4 Ų37.416%0.16219%0.192CC..SBendtrans-99.6-23.9178.3-61.8141000113.5M537 L539 M634 D646 L647 N649 D688M537-H690 HydrophobicContact CE-CB 4.38Å; M537-H690 VanDerWaalsContact CE-O 3.27Å; M537-H690 WeakPolarHBondContact CE-O 3.39Å; L539-H690 HydrophobicContact CD1-CB 3.97Å; M634-H690 HydrophobicContact CE-CB 3.63Å; D646-H690 PolarHBondContact O-ND1 3.05Å; L647-H690 PolarHBondContact O-N 2.83Å; N649-H690 PolarHBondContact OD1-CE1 2.76Å; N649-H690 PolarHBondContact OD1-ND1 2.69Å; D688-H690 IonicContact OD2-NE2 2.75Å
691L95Very high96.2Very high12 Ų1234.1 Ų34.16%0.06317%0.174CC..  trans-116.6116.9174.2-178.166.8000109.8F554 P627 V630 L647 I689 P694 P696F554-L691 HydrophobicContact CE1-CD1 4.34Å; P627-L691 HydrophobicContact CB-CD2 4.37Å; P627-L691 HydrophobicContact CG-CD2 4.45Å; V630-L691 HydrophobicContact CG2-CD1 4.43Å; V630-L691 HydrophobicContact CG2-CD2 4.45Å; L647-L691 HydrophobicContact CD1-CD2 4.42Å; L647-L691 HydrophobicContact CD2-CB 4.14Å; L647-L691 HydrophobicContact CD2-CD2 3.97Å; L647-L691 PolarHBondContact O-N 2.9Å; I689-L691 VanDerWaalsContact CG2-O 3.26Å; I689-L691 WeakPolarHBondContact CG2-O 3.45Å; L691-P694 WeakPolarHBondContact CD2-O 3.16Å; L691-P696 WeakPolarHBondContact O-CD 3.46Å; L691-P696 WeakPolarHBondContact O-CG 3.42Å
692Y94Very high96.1Very high70 Ų7037 Ų3728%0.27517%0.17SC..  trans-90-35.7179-175.2-120.3000113.4M663 F695 P726 L727 D730M663-Y692 HydrophobicContact SD-CD2 4.44Å; Y692-F695 AromaticContact CD2-CD2 3.96Å; Y692-F695 HydrophobicContact CD2-CD2 3.96Å; Y692-F695 HydrophobicContact CD2-CE2 4.01Å; Y692-F695 HydrophobicContact CE2-CD2 4.1Å; Y692-F695 HydrophobicContact CE2-CE2 4.06Å; Y692-F695 WeakPolarHBondContact O-CA 3.47Å; Y692-F695 WeakPolarHBondContact O-CD2 3.33Å; Y692-P726 VanDerWaalsContact OH-CB 3.23Å; Y692-P726 WeakPolarHBondContact OH-CB 3.28Å; Y692-L727 HydrophobicContact CD2-CD1 4.48Å; Y692-L727 HydrophobicContact CE2-CD1 4.25Å; Y692-D730 WeakPolarHBondContact CE2-OD2 3.38Å; Y692-D730 VanDerWaalsContact CZ-OD2 3.24Å; Y692-D730 PolarHBondContact OH-OD2 3.33Å
693R94.3Very high96Very high121 Ų12137.8 Ų37.846%0.45717%0.174SC..SBendtrans-143.4129.4179-72.9-63-174.7-94.66.1111.6D730R693-D730 IonicContact CZ-OD1 2.95Å; R693-D730 IonicContact CZ-OD2 2.65Å; R693-D730 IonicContact NH1-OD1 3.64Å; R693-D730 IonicContact NH1-OD2 3.92Å; R693-D730 PolarHBondContact NH1-OD2 3.23Å; R693-D730 IonicContact NH2-OD1 2.77Å; R693-D730 PolarHBondContact NH2-OD1 3.19Å; R693-D730 IonicContact NH2-OD2 2.99Å; R693-D730 PolarHBondContact NH2-OD2 2.93Å
694P95.1Very high96Very high30 Ų3034 Ų3420%0.19516%0.158CC..SBendcis-54.2138.5-11.4-20.731000112.1Y623 M626 P627 L691Y623-P694 HydrophobicContact CD1-CG 4.08Å; Y623-P694 VanDerWaalsContact O-CG 3.32Å; Y623-P694 WeakPolarHBondContact O-CG 3.21Å; M626-P694 HydrophobicContact CB-CG 4.22Å; P627-P694 HydrophobicContact CG-CB 4.1Å; P627-P694 HydrophobicContact CG-CG 4.31Å; L691-P694 WeakPolarHBondContact CD2-O 3.16Å
695F96.6Very high95.8Very high35 Ų3534.5 Ų34.515%0.15416%0.161CC..  trans-69.6127.8-175.4-163.9-101.2000109.6I689 Y692 A697 L700 L727 D730 V731 V734I689-F695 HydrophobicContact CD1-CE2 4.21Å; I689-F695 HydrophobicContact CD1-CZ 4.04Å; Y692-F695 AromaticContact CD2-CD2 3.96Å; Y692-F695 HydrophobicContact CD2-CD2 3.96Å; Y692-F695 HydrophobicContact CD2-CE2 4.01Å; Y692-F695 HydrophobicContact CE2-CD2 4.1Å; Y692-F695 HydrophobicContact CE2-CE2 4.06Å; Y692-F695 WeakPolarHBondContact O-CA 3.47Å; Y692-F695 WeakPolarHBondContact O-CD2 3.33Å; F695-A697 PolarHBondContact O-N 2.83Å; F695-L700 HydrophobicContact CE1-CD1 3.99Å; F695-L700 HydrophobicContact CZ-CD1 4.11Å; F695-L727 HydrophobicContact CE2-CD1 3.71Å; F695-L727 HydrophobicContact CZ-CD1 3.98Å; F695-D730 HydrophobicContact CD1-CB 4.31Å; F695-D730 HydrophobicContact CD2-CB 4.03Å; F695-D730 HydrophobicContact CE1-CB 4.06Å; F695-D730 HydrophobicContact CE2-CB 3.79Å; F695-D730 HydrophobicContact CG-CB 4.29Å; F695-D730 HydrophobicContact CZ-CB 3.8Å; F695-V731 HydrophobicContact CZ-CG2 4.06Å; F695-V734 HydrophobicContact CD1-CG2 3.8Å; F695-V734 HydrophobicContact CE1-CG2 3.73Å
696P95.8Very high95.5Very high4 Ų440.6 Ų40.63%0.02619%0.194CC..  trans-81.162.5-170.634.2-38.5000111.4L647 T648 L691 E698 N699 L700L647-P696 HydrophobicContact CB-CB 3.85Å; L647-P696 HydrophobicContact CB-CG 4.34Å; L647-P696 HydrophobicContact CD1-CB 4.1Å; T648-P696 HydrophobicContact CG2-CB 4.33Å; T648-P696 HydrophobicContact CG2-CG 3.65Å; L691-P696 WeakPolarHBondContact O-CD 3.46Å; L691-P696 WeakPolarHBondContact O-CG 3.42Å; P696-E698 PolarHBondContact O-N 3.09Å; P696-N699 HydrophobicContact CB-CB 4.23Å; P696-N699 PolarHBondContact O-N 3.04Å; P696-L700 WeakPolarHBondContact O-CB 3.45Å; P696-L700 PolarHBondContact O-N 2.83Å
697A95.4Very high95.4Very high17 Ų1743.1 Ų43.114%0.1421%0.209CC..Hα-helixtrans-58.2-44.4-172.800000113.4F695 L700 L701 V734F695-A697 PolarHBondContact O-N 2.83Å; A697-L700 PolarHBondContact O-N 3.23Å; A697-L701 WeakPolarHBondContact O-CG 3.48Å; A697-L701 PolarHBondContact O-N 2.98Å; A697-L701 VanDerWaalsContact O-N 3.07Å; A697-V734 HydrophobicContact CB-CB 4.45Å; A697-V734 HydrophobicContact CB-CG1 4.02Å; A697-V734 HydrophobicContact CB-CG2 3.54Å
698E95.3Very high95.3Very high122 Ų12243.1 Ų43.157%0.5721%0.209SC*.Hα-helixtrans-67.6-43.3-179.4-56.9-54.613800111.3P696 L700 L701 E702 R737P696-E698 PolarHBondContact O-N 3.09Å; E698-L700 VanDerWaalsContact C-N 3.33Å; E698-L700 PolarHBondContact O-N 3.4Å; E698-L701 PolarHBondContact O-N 3.26Å; E698-E702 WeakPolarHBondContact O-CB 3.34Å; E698-E702 PolarHBondContact O-N 3.36Å; E698-R737 IonicContact OE1-NH1 3.95Å
699N95.9Very high95.3Very high21 Ų2148 Ų4811%0.11223%0.232CC..Hα-helixtrans-63.8-37.8174.6-58.271.4000111.7Q631 T648 P696 E702 K703Q631-N699 PolarHBondContact NE2-ND2 3.43Å; T648-N699 WeakPolarHBondContact OG1-CB 3.02Å; T648-N699 PolarHBondContact OG1-O 2.91Å; P696-N699 HydrophobicContact CB-CB 4.23Å; P696-N699 PolarHBondContact O-N 3.04Å; N699-E702 PolarHBondContact O-N 3.09Å; N699-K703 WeakPolarHBondContact O-CB 3.27Å; N699-K703 WeakPolarHBondContact O-CG 3.4Å; N699-K703 PolarHBondContact O-N 3.21Å
700L96.5Very high95.5Very high0 Ų049.3 Ų49.30%024%0.237CC..Hα-helixtrans-62.2-45.5176.4-173.8152.1000111.1T648 I661 L687 I689 F695 P696 A697 E698 L704 V731 V734 L735T648-L700 HydrophobicContact CG2-CB 4.46Å; I661-L700 HydrophobicContact CD1-CD1 4.43Å; L687-L700 HydrophobicContact CD1-CG 4.34Å; L687-L700 HydrophobicContact CD2-CD1 4.33Å; L687-L700 HydrophobicContact CD2-CG 4.32Å; I689-L700 HydrophobicContact CD1-CD1 4.38Å; F695-L700 HydrophobicContact CE1-CD1 3.99Å; F695-L700 HydrophobicContact CZ-CD1 4.11Å; P696-L700 WeakPolarHBondContact O-CB 3.45Å; P696-L700 PolarHBondContact O-N 2.83Å; A697-L700 PolarHBondContact O-N 3.23Å; E698-L700 VanDerWaalsContact C-N 3.33Å; E698-L700 PolarHBondContact O-N 3.4Å; L700-L704 HydrophobicContact CD2-CD1 3.6Å; L700-L704 HydrophobicContact CD2-CG 4.46Å; L700-L704 HydrophobicContact CG-CD1 4.44Å; L700-L704 WeakPolarHBondContact O-CG 3.44Å; L700-L704 PolarHBondContact O-N 3.29Å; L700-V731 HydrophobicContact CD1-CG2 4.19Å; L700-V734 HydrophobicContact CB-CG1 4.49Å; L700-V734 HydrophobicContact CD2-CG1 3.84Å; L700-L735 HydrophobicContact CD2-CD2 3.9Å; L700-L735 HydrophobicContact CD2-CG 4.44Å
701L96.2Very high95.7Very high34 Ų3447.6 Ų47.618%0.17823%0.229CC..Hα-helixtrans-65.9-40.7177.2-69.4169.4000112.1A697 E698 V734 L735 R737 H738A697-L701 WeakPolarHBondContact O-CG 3.48Å; A697-L701 PolarHBondContact O-N 2.98Å; A697-L701 VanDerWaalsContact O-N 3.07Å; E698-L701 PolarHBondContact O-N 3.26Å; L701-V734 HydrophobicContact CD1-CG1 4.06Å; L701-V734 HydrophobicContact CD2-CG1 3.96Å; L701-V734 HydrophobicContact CG-CG1 3.68Å; L701-L735 HydrophobicContact CD2-CD2 4.42Å; L701-R737 HydrophobicContact CD1-CB 4.07Å; L701-H738 HydrophobicContact CD2-CB 3.91Å
702E95.3Very high95.9Very high130 Ų13047 Ų4761%0.60723%0.227SC*.Hα-helixtrans-63.5-41.1178.4-175.7-159130.700112.6E698 N699E698-E702 WeakPolarHBondContact O-CB 3.34Å; E698-E702 PolarHBondContact O-N 3.36Å; N699-E702 PolarHBondContact O-N 3.09Å
703K95.9Very high96.1Very high62 Ų6243.7 Ų43.727%0.2721%0.213SC..Hα-helixtrans-84.6-16.9-172.3-63.8-58.5-176.6-149.60114D646 Y650 L687 N699D646-K703 WeakPolarHBondContact OD2-CE 2.89Å; D646-K703 IonicContact OD2-NZ 2.95Å; Y650-K703 WeakPolarHBondContact CB-O 3.5Å; L687-K703 HydrophobicContact CD1-CB 4.14Å; N699-K703 WeakPolarHBondContact O-CB 3.27Å; N699-K703 WeakPolarHBondContact O-CG 3.4Å; N699-K703 PolarHBondContact O-N 3.21Å
704L96.2Very high96.3Very high7 Ų738 Ų384%0.03719%0.192CC..SBendtrans-75.6138.7177.2-79173.2000111.1V659 I661 L687 L700 D706 L735V659-L704 HydrophobicContact CB-CD2 4.41Å; V659-L704 HydrophobicContact CG1-CD2 3.84Å; V659-L704 HydrophobicContact CG2-CD2 4.39Å; I661-L704 HydrophobicContact CD1-CD1 4.45Å; I661-L704 HydrophobicContact CD1-CD2 4.47Å; L687-L704 HydrophobicContact CB-CD2 4.43Å; L687-L704 HydrophobicContact CD1-CD2 3.75Å; L687-L704 HydrophobicContact CD1-CG 3.74Å; L700-L704 HydrophobicContact CD2-CD1 3.6Å; L700-L704 HydrophobicContact CD2-CG 4.46Å; L700-L704 HydrophobicContact CG-CD1 4.44Å; L700-L704 WeakPolarHBondContact O-CG 3.44Å; L700-L704 PolarHBondContact O-N 3.29Å; L704-D706 PolarHBondContact O-N 3.16Å; L704-L735 HydrophobicContact CD1-CD2 3.52Å
705P94.9Very high96.3Very high10 Ų1037.1 Ų37.17%0.06519%0.185CC..  trans-59.1136171.8-26.435.5000112.4Y650 P654 A656 T707 V708Y650-P705 HydrophobicContact CE1-CG 4Å; Y650-P705 HydrophobicContact CE2-CG 3.77Å; Y650-P705 VanDerWaalsContact CZ-CG 3.43Å; Y650-P705 WeakPolarHBondContact OH-CG 3.49Å; P654-P705 WeakPolarHBondContact O-CB 3.18Å; A656-P705 HydrophobicContact CB-CG 4.3Å; P705-T707 PolarHBondContact O-N 2.93Å; P705-V708 WeakPolarHBondContact O-CB 3.38Å; P705-V708 VanDerWaalsContact O-CG1 3.25Å; P705-V708 WeakPolarHBondContact O-CG1 3.35Å; P705-V708 PolarHBondContact O-N 3.05Å
706D92.7Very high96.1Very high128 Ų12836.3 Ų36.368%0.68418%0.182SC*.THydrogen-bonded Turntrans-60-13.6172.4-78.1-34.2000113.2L704 N740L704-D706 PolarHBondContact O-N 3.16Å; D706-N740 PolarHBondContact O-ND2 2.84Å
707T95.8Very high95.9Very high52 Ų5239.1 Ų39.132%0.31920%0.198SC..THydrogen-bonded Turntrans-91.1-3178.6520000113.7E655 A656 P705 E709E655-T707 VanDerWaalsContact CA-OG1 3.23Å; E655-T707 WeakPolarHBondContact CA-OG1 3.41Å; E655-T707 HydrophobicContact CB-CG2 4.29Å; E655-T707 PolarHBondContact O-OG1 3.39Å; A656-T707 CarbonylContact O-C 3.58Å; A656-T707 PolarHBondContact O-OG1 3.15Å; P705-T707 PolarHBondContact O-N 2.93Å; T707-E709 PolarHBondContact O-N 3.12Å
708V96.8Very high95.7Very high0 Ų044.1 Ų44.10%022%0.217CC..  trans-62.8129.3-175.7700000111A656 V659 P705 V711 N740 P742A656-V708 PolarHBondContact O-N 3.45Å; V659-V708 HydrophobicContact CB-CG2 4.13Å; V659-V708 HydrophobicContact CG2-CB 4.48Å; V659-V708 HydrophobicContact CG2-CG2 3.77Å; P705-V708 WeakPolarHBondContact O-CB 3.38Å; P705-V708 VanDerWaalsContact O-CG1 3.25Å; P705-V708 WeakPolarHBondContact O-CG1 3.35Å; P705-V708 PolarHBondContact O-N 3.05Å; V708-V711 HydrophobicContact CG2-CG2 3.74Å; V708-N740 PolarHBondContact O-ND2 3.06Å; V708-P742 HydrophobicContact CG1-CB 4.29Å; V708-P742 HydrophobicContact CG1-CG 4.07Å; V708-P742 HydrophobicContact CG2-CB 4.38Å
709E96Very high95.5Very high116 Ų11642.9 Ų42.954%0.54221%0.211SC..  trans-111-33.3178.8-62.6-173.2176.100111.6T657 T707 P742 I743T657-E709 PolarHBondContact O-N 3.19Å; T707-E709 PolarHBondContact O-N 3.12Å; E709-P742 VanDerWaalsContact C-CB 3.44Å; E709-P742 CarbonylContact O-C 3.47Å; E709-P742 WeakPolarHBondContact O-CA 3.23Å; E709-P742 VanDerWaalsContact O-CB 3.25Å; E709-P742 WeakPolarHBondContact O-CB 3.46Å; E709-I743 PolarHBondContact O-N 2.98Å
710K97.6Very high95.2Very high29 Ų2947.2 Ų47.213%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-142.5138.1-175.5-54.2175.5-170.7172.60111.6T657 E658 V659 I743 L768 F770 L775T657-K710 PolarHBondContact O-N 3.13Å; T657-K710 VanDerWaalsContact O-N 3.15Å; E658-K710 WeakPolarHBondContact CA-O 3.36Å; V659-K710 PolarHBondContact N-O 3.43Å; K710-I743 CarbonylContact C-O 3.19Å; K710-I743 WeakPolarHBondContact CA-O 3.49Å; K710-I743 HydrophobicContact CG-CB 4.37Å; K710-L768 HydrophobicContact CB-CD2 3.97Å; K710-L768 WeakPolarHBondContact CD-O 3.49Å; K710-L768 WeakPolarHBondContact CE-O 3.38Å; K710-L768 PolarHBondContact NZ-O 3.13Å; K710-F770 PolarHBondContact NZ-O 3.5Å; K710-L775 HydrophobicContact CD-CD1 4.36Å
711V98.3Very high95Very high0 Ų051.6 Ų51.60%029%0.286CS..EExtended strand (participates in β ladder)trans-127.3130.2-177.4177.20000109.9V659 I661 V708 V713 L735 P742 I743 V744 I745V659-V711 HydrophobicContact CB-CG2 4.49Å; V659-V711 CarbonylContact O-C 3.55Å; V659-V711 VanDerWaalsContact O-CA 3.25Å; V659-V711 WeakPolarHBondContact O-CA 3.17Å; I661-V711 HydrophobicContact CD1-CG1 3.73Å; I661-V711 HydrophobicContact CG1-CG1 3.73Å; V708-V711 HydrophobicContact CG2-CG2 3.74Å; V711-V713 HydrophobicContact CG1-CG2 4.09Å; V711-L735 HydrophobicContact CB-CD1 4.29Å; V711-L735 HydrophobicContact CG1-CD1 4.29Å; V711-L735 HydrophobicContact CG2-CD1 4.04Å; V711-P742 HydrophobicContact CG2-CB 4.14Å; V711-P742 HydrophobicContact CG2-CG 4Å; V711-I743 PolarHBondContact N-O 3.13Å; V711-V744 HydrophobicContact CB-CG2 4.47Å; V711-V744 HydrophobicContact CG1-CG1 4.45Å; V711-V744 WeakPolarHBondContact O-CA 3.39Å; V711-I745 PolarHBondContact O-N 2.72Å
712A98.5Very high94.8Very high0 Ų051.9 Ų51.90%029%0.29CS..EExtended strand (participates in β ladder)trans-106.3123165.800000109.9V659 I660 I661 I745 V764 L768 F779V659-A712 PolarHBondContact O-N 3.05Å; I660-A712 CarbonylContact C-O 3.53Å; I660-A712 VanDerWaalsContact CA-O 3.29Å; I660-A712 WeakPolarHBondContact CA-O 3.39Å; I660-A712 HydrophobicContact CG1-CB 4.3Å; I661-A712 PolarHBondContact N-O 3.2Å; A712-I745 WeakPolarHBondContact CA-O 3.4Å; A712-I745 HydrophobicContact CB-CD1 4.35Å; A712-I745 HydrophobicContact CB-CG1 4Å; A712-V764 HydrophobicContact CB-CG1 3.48Å; A712-V764 VanDerWaalsContact CB-CG1 3.48Å; A712-L768 HydrophobicContact CB-CD1 3.89Å; A712-L768 HydrophobicContact CB-CD2 4.1Å; A712-L768 HydrophobicContact CB-CG 4.25Å; A712-F779 HydrophobicContact CB-CZ 4.25Å
713V98.6Very high94.6Very high0 Ų052.3 Ų52.30%030%0.297CS..EExtended strand (participates in β ladder)trans-99.4126.4176.1-170.40000109.1I661 V711 L727 L728 V731 V744 I745 G746 G747I661-V713 HydrophobicContact CB-CG2 4.46Å; I661-V713 CarbonylContact O-C 3.57Å; I661-V713 WeakPolarHBondContact O-CA 3.31Å; V711-V713 HydrophobicContact CG1-CG2 4.09Å; V713-L727 HydrophobicContact CG1-CB 4.21Å; V713-L727 HydrophobicContact CG1-CD2 3.92Å; V713-L727 HydrophobicContact CG1-CG 3.63Å; V713-L728 HydrophobicContact CB-CB 4.21Å; V713-L728 HydrophobicContact CB-CD1 3.98Å; V713-L728 HydrophobicContact CG1-CB 4.25Å; V713-L728 HydrophobicContact CG2-CD1 3.99Å; V713-V731 HydrophobicContact CG1-CG2 4.19Å; V713-V731 HydrophobicContact CG2-CB 3.87Å; V713-V731 HydrophobicContact CG2-CG1 3.58Å; V713-V731 HydrophobicContact CG2-CG2 4.19Å; V713-V744 HydrophobicContact CG2-CG1 3.7Å; V713-I745 PolarHBondContact N-O 3.48Å; V713-G746 CarbonylContact O-C 3.52Å; V713-G746 WeakPolarHBondContact O-CA 3.26Å; V713-G747 PolarHBondContact O-N 2.84Å
714L98.2Very high94.6Very high2 Ų249.4 Ų49.41%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-106.6116.2-177.9-62-176.2000110.8I660 I661 A662 I670 G747 Y749 I761 V764 F779I660-L714 HydrophobicContact CG2-CD1 3.72Å; I660-L714 HydrophobicContact CG2-CG 3.97Å; I661-L714 PolarHBondContact O-N 3.5Å; A662-L714 HydrophobicContact CB-CB 4.06Å; I670-L714 HydrophobicContact CD1-CD1 4.23Å; L714-G747 CarbonylContact C-O 3.58Å; L714-G747 WeakPolarHBondContact CA-O 3.11Å; L714-Y749 HydrophobicContact CB-CD1 3.65Å; L714-Y749 HydrophobicContact CB-CE1 3.62Å; L714-I761 HydrophobicContact CD1-CD1 4.21Å; L714-V764 HydrophobicContact CD2-CG2 4.41Å; L714-F779 HydrophobicContact CD2-CE2 3.99Å; L714-F779 HydrophobicContact CD2-CZ 3.86Å
715D95.6Very high94.6Very high10 Ų1049.5 Ų49.55%0.05329%0.285CS..EExtended strand (participates in β ladder)trans-106.1130.2177.3-85.6-91.1000110.7T717 E725 L727 L728 G747 R748 Y749D715-T717 HydrophobicContact CB-CG2 4.31Å; D715-T717 PolarHBondContact O-N 3.33Å; D715-E725 HydrophobicContact CB-CB 3.52Å; D715-E725 HydrophobicContact CB-CG 3.96Å; D715-E725 WeakPolarHBondContact OD2-CB 3.47Å; D715-L727 VanDerWaalsContact OD1-CB 3.25Å; D715-L727 WeakPolarHBondContact OD1-CB 3.29Å; D715-L727 PolarHBondContact OD1-N 2.99Å; D715-L728 PolarHBondContact OD2-N 3.47Å; D715-G747 PolarHBondContact N-O 3.23Å; D715-R748 WeakPolarHBondContact O-CA 3.13Å; D715-Y749 WeakPolarHBondContact O-CD1 3.35Å; D715-Y749 PolarHBondContact O-N 3.45Å
716R92Very high94.6Very high19 Ų1950.7 Ų50.77%0.07229%0.293CS..SBendtrans-94.836173.5-161.9160.7-175.9171.122.5112.3D534 S665 Y749 G750D534-R716 HydrophobicContact CB-CG 4.12Å; D534-R716 WeakPolarHBondContact O-CD 3.3Å; D534-R716 PolarHBondContact O-NE 3.34Å; D534-R716 PolarHBondContact O-NH1 2.8Å; D534-R716 IonicContact OD1-NE 3.15Å; S665-R716 PolarHBondContact OG-NH1 3.15Å; R716-Y749 HydrophobicContact CB-CD1 4.46Å; R716-Y749 HydrophobicContact CB-CE1 3.89Å; R716-Y749 HydrophobicContact CB-CE2 4.48Å; R716-Y749 WeakPolarHBondContact CG-O 3.39Å; R716-G750 VanDerWaalsContact CZ-O 3.26Å; R716-G750 PolarHBondContact NE-O 3.39Å; R716-G750 PolarHBondContact NH2-O 2.95Å
717T91.3Very high94.9Very high62 Ų6244.7 Ų44.738%0.3826%0.261SS..  trans-142.7163.9179.2-173.70000109.9D715 P726D715-T717 HydrophobicContact CB-CG2 4.31Å; D715-T717 PolarHBondContact O-N 3.33Å; T717-P726 HydrophobicContact CG2-CG 4.26Å
718K91.7Very high95Very high122 Ų12242.2 Ų42.253%0.5325%0.246SC..  trans-130.5122.4172.3-179.8172.3-178.11680108.4P720 I751K718-P720 HydrophobicContact CG-CG 4.38Å; K718-P720 WeakPolarHBondContact O-CD 3.45Å; K718-I751 HydrophobicContact CB-CD1 4.06Å
719E91.5Very high95Very high97 Ų9745.3 Ų45.345%0.45326%0.262SS..  trans-113.690.4175.9-171.8171.3177.500110.1G721 S722 P726E719-G721 PolarHBondContact O-N 2.94Å; E719-S722 PolarHBondContact O-N 3.47Å; E719-S722 PolarHBondContact O-OG 3.45Å; E719-P726 WeakPolarHBondContact OE2-CG 3.46Å
720P89.9Confident95.1Very high111 Ų11141.2 Ų41.272%0.72124%0.244SC*.THydrogen-bonded Turntrans-62131.5-176.5-20.833000112.2K718 S722K718-P720 HydrophobicContact CG-CG 4.38Å; K718-P720 WeakPolarHBondContact O-CD 3.45Å; P720-S722 VanDerWaalsContact C-N 3.34Å
721G91.1Very high95.1Very high92 Ų9239.9 Ų39.995%0.94824%0.238SC*.THydrogen-bonded Turntrans88.9-6.1178.400000114.9E719E719-G721 PolarHBondContact O-N 2.94Å
722S93.5Very high95Very high40 Ų4042.7 Ų42.728%0.2825%0.251SS..SBendtrans-77.3155.3166.967.80000111.1E719 P720 G724E719-S722 PolarHBondContact O-N 3.47Å; E719-S722 PolarHBondContact O-OG 3.45Å; P720-S722 VanDerWaalsContact C-N 3.34Å; S722-G724 WeakPolarHBondContact CB-O 3.42Å; S722-G724 PolarHBondContact O-N 3.13Å; S722-G724 PolarHBondContact OG-O 3.17Å
723D91.5Very high94.9Very high139 Ų13946.3 Ų46.374%0.74328%0.276SS*.SBendtrans-77.3-7.6172.7-166.349.5000112.1R778D723-R778 VanDerWaalsContact O-CZ 3.25Å; D723-R778 PolarHBondContact O-NE 3.5Å; D723-R778 PolarHBondContact O-NH2 3.02Å
724G94.2Very high94.9Very high1 Ų146.6 Ų46.61%0.0128%0.278CS..SBendtrans179.8160.918000000111S722 L729S722-G724 WeakPolarHBondContact CB-O 3.42Å; S722-G724 PolarHBondContact O-N 3.13Å; S722-G724 PolarHBondContact OG-O 3.17Å; G724-L729 WeakPolarHBondContact O-CD1 3.45Å
725E96.6Very high94.8Very high9 Ų946.7 Ų46.74%0.04228%0.278CS..  trans-75.6156.8-177.2-71.865.8-169.500111D715 L727 L728 L729 R748D715-E725 HydrophobicContact CB-CB 3.52Å; D715-E725 HydrophobicContact CB-CG 3.96Å; D715-E725 WeakPolarHBondContact OD2-CB 3.47Å; E725-L727 PolarHBondContact O-N 3.04Å; E725-L728 WeakPolarHBondContact O-CB 3.35Å; E725-L728 PolarHBondContact O-N 3.27Å; E725-L729 WeakPolarHBondContact O-CG 3.32Å; E725-L729 PolarHBondContact O-N 3.37Å; E725-R748 HydrophobicContact CG-CG 3.95Å; E725-R748 WeakPolarHBondContact OE1-CD 3.35Å; E725-R748 IonicContact OE1-CZ 2.74Å; E725-R748 IonicContact OE1-NE 3.82Å; E725-R748 IonicContact OE1-NH1 2.67Å; E725-R748 PolarHBondContact OE1-NH1 3.42Å
726P96.2Very high94.7Very high36 Ų3653.7 Ų53.723%0.23431%0.305CS..Hα-helixtrans-57.3-44.9-167.3-27.834.7000114.6Y692 T717 E719 L729 D730Y692-P726 VanDerWaalsContact OH-CB 3.23Å; Y692-P726 WeakPolarHBondContact OH-CB 3.28Å; T717-P726 HydrophobicContact CG2-CG 4.26Å; E719-P726 WeakPolarHBondContact OE2-CG 3.46Å; P726-L729 PolarHBondContact O-N 3.12Å; P726-D730 VanDerWaalsContact O-CG 3.31Å; P726-D730 PolarHBondContact O-N 3.01Å; P726-D730 VanDerWaalsContact O-N 3.14Å
727L97.1Very high94.7Very high2 Ų260 Ų601%0.0133%0.329CS..Hα-helixtrans-69.4-42.9-179.2178.160.7000110.9M663 I689 Y692 F695 V713 D715 E725 L729 D730 V731M663-L727 HydrophobicContact CG-CD2 4.27Å; I689-L727 HydrophobicContact CD1-CD1 3.42Å; I689-L727 VanDerWaalsContact CD1-CD1 3.42Å; I689-L727 HydrophobicContact CD1-CD2 4.38Å; I689-L727 HydrophobicContact CD1-CG 4.43Å; Y692-L727 HydrophobicContact CD2-CD1 4.48Å; Y692-L727 HydrophobicContact CE2-CD1 4.25Å; F695-L727 HydrophobicContact CE2-CD1 3.71Å; F695-L727 HydrophobicContact CZ-CD1 3.98Å; V713-L727 HydrophobicContact CG1-CB 4.21Å; V713-L727 HydrophobicContact CG1-CD2 3.92Å; V713-L727 HydrophobicContact CG1-CG 3.63Å; D715-L727 VanDerWaalsContact OD1-CB 3.25Å; D715-L727 WeakPolarHBondContact OD1-CB 3.29Å; D715-L727 PolarHBondContact OD1-N 2.99Å; E725-L727 PolarHBondContact O-N 3.04Å; L727-L729 VanDerWaalsContact C-N 3.35Å; L727-L729 PolarHBondContact O-N 2.95Å; L727-D730 PolarHBondContact O-N 3.26Å; L727-V731 HydrophobicContact CD1-CG2 3.98Å; L727-V731 HydrophobicContact CG-CG2 4.29Å; L727-V731 WeakPolarHBondContact O-CB 3.33Å; L727-V731 VanDerWaalsContact O-CG2 3.27Å; L727-V731 WeakPolarHBondContact O-CG2 3.39Å; L727-V731 PolarHBondContact O-N 3.43Å
728L98.1Very high94.7Very high0 Ų057.5 Ų57.50%031%0.313CS..Hα-helixtrans-51.7-51.4172.2171.165.9000112.3V713 D715 E725 D730 V731 Q732 V744V713-L728 HydrophobicContact CB-CB 4.21Å; V713-L728 HydrophobicContact CB-CD1 3.98Å; V713-L728 HydrophobicContact CG1-CB 4.25Å; V713-L728 HydrophobicContact CG2-CD1 3.99Å; D715-L728 PolarHBondContact OD2-N 3.47Å; E725-L728 WeakPolarHBondContact O-CB 3.35Å; E725-L728 PolarHBondContact O-N 3.27Å; L728-D730 VanDerWaalsContact C-N 3.34Å; L728-D730 PolarHBondContact O-N 3.3Å; L728-V731 PolarHBondContact O-N 3.13Å; L728-Q732 HydrophobicContact CD1-CG 4.04Å; L728-Q732 WeakPolarHBondContact O-CB 3.27Å; L728-Q732 VanDerWaalsContact O-CG 3.3Å; L728-Q732 WeakPolarHBondContact O-CG 3.33Å; L728-Q732 PolarHBondContact O-N 3.11Å; L728-V744 HydrophobicContact CD1-CG1 3.87Å
729L97.6Very high94.5Very high64 Ų6457.1 Ų57.134%0.33532%0.321SS..Hα-helixtrans-64.5-39.3-176.8-67.6-178.4000112.1G724 E725 P726 L727 Q732 S733G724-L729 WeakPolarHBondContact O-CD1 3.45Å; E725-L729 WeakPolarHBondContact O-CG 3.32Å; E725-L729 PolarHBondContact O-N 3.37Å; P726-L729 PolarHBondContact O-N 3.12Å; L727-L729 VanDerWaalsContact C-N 3.35Å; L727-L729 PolarHBondContact O-N 2.95Å; L729-Q732 PolarHBondContact O-N 3.17Å; L729-S733 PolarHBondContact O-N 3.32Å
730D97.7Very high94.4Very high31 Ų3156.3 Ų56.317%0.16632%0.319CS..Hα-helixtrans-65.5-45.3175.9-69.8-36.3000111.8Y692 R693 F695 P726 L727 L728 Q732 S733 V734Y692-D730 WeakPolarHBondContact CE2-OD2 3.38Å; Y692-D730 VanDerWaalsContact CZ-OD2 3.24Å; Y692-D730 PolarHBondContact OH-OD2 3.33Å; R693-D730 IonicContact CZ-OD1 2.95Å; R693-D730 IonicContact CZ-OD2 2.65Å; R693-D730 IonicContact NH1-OD1 3.64Å; R693-D730 IonicContact NH1-OD2 3.92Å; R693-D730 PolarHBondContact NH1-OD2 3.23Å; R693-D730 IonicContact NH2-OD1 2.77Å; R693-D730 PolarHBondContact NH2-OD1 3.19Å; R693-D730 IonicContact NH2-OD2 2.99Å; R693-D730 PolarHBondContact NH2-OD2 2.93Å; F695-D730 HydrophobicContact CD1-CB 4.31Å; F695-D730 HydrophobicContact CD2-CB 4.03Å; F695-D730 HydrophobicContact CE1-CB 4.06Å; F695-D730 HydrophobicContact CE2-CB 3.79Å; F695-D730 HydrophobicContact CG-CB 4.29Å; F695-D730 HydrophobicContact CZ-CB 3.8Å; P726-D730 VanDerWaalsContact O-CG 3.31Å; P726-D730 PolarHBondContact O-N 3.01Å; P726-D730 VanDerWaalsContact O-N 3.14Å; L727-D730 PolarHBondContact O-N 3.26Å; L728-D730 VanDerWaalsContact C-N 3.34Å; L728-D730 PolarHBondContact O-N 3.3Å; D730-Q732 VanDerWaalsContact C-N 3.34Å; D730-Q732 PolarHBondContact O-N 3.13Å; D730-S733 WeakPolarHBondContact O-CB 3.46Å; D730-S733 PolarHBondContact O-N 3.13Å; D730-V734 WeakPolarHBondContact O-CG2 3.46Å; D730-V734 PolarHBondContact O-N 3.1Å
731V97.8Very high94.5Very high0 Ų057.7 Ų57.70%031%0.31CS..Hα-helixtrans-61.5-43.8176.9168.70000110.7I661 F695 L700 V713 L727 L728 S733 V734 L735 V744I661-V731 HydrophobicContact CD1-CG1 3.93Å; I661-V731 HydrophobicContact CD1-CG2 4.44Å; I661-V731 HydrophobicContact CG2-CG2 4.08Å; F695-V731 HydrophobicContact CZ-CG2 4.06Å; L700-V731 HydrophobicContact CD1-CG2 4.19Å; V713-V731 HydrophobicContact CG1-CG2 4.19Å; V713-V731 HydrophobicContact CG2-CB 3.87Å; V713-V731 HydrophobicContact CG2-CG1 3.58Å; V713-V731 HydrophobicContact CG2-CG2 4.19Å; L727-V731 HydrophobicContact CD1-CG2 3.98Å; L727-V731 HydrophobicContact CG-CG2 4.29Å; L727-V731 WeakPolarHBondContact O-CB 3.33Å; L727-V731 VanDerWaalsContact O-CG2 3.27Å; L727-V731 WeakPolarHBondContact O-CG2 3.39Å; L727-V731 PolarHBondContact O-N 3.43Å; L728-V731 PolarHBondContact O-N 3.13Å; V731-S733 VanDerWaalsContact C-N 3.3Å; V731-S733 PolarHBondContact O-N 2.84Å; V731-V734 PolarHBondContact O-N 2.86Å; V731-L735 HydrophobicContact CG1-CD1 3.5Å; V731-L735 HydrophobicContact CG1-CG 4Å; V731-L735 WeakPolarHBondContact O-CB 3.46Å; V731-L735 WeakPolarHBondContact O-CG 3.3Å; V731-L735 PolarHBondContact O-N 3.09Å; V731-V744 HydrophobicContact CG1-CG1 4.24Å
732Q97Very high94.7Very high60 Ų6053.9 Ų53.928%0.2827%0.269SS..Hα-helixtrans-59.3-41.6175.3-76.3-175.9-30.700112L728 L729 D730 V734 Y736 V744L728-Q732 HydrophobicContact CD1-CG 4.04Å; L728-Q732 WeakPolarHBondContact O-CB 3.27Å; L728-Q732 VanDerWaalsContact O-CG 3.3Å; L728-Q732 WeakPolarHBondContact O-CG 3.33Å; L728-Q732 PolarHBondContact O-N 3.11Å; L729-Q732 PolarHBondContact O-N 3.17Å; D730-Q732 VanDerWaalsContact C-N 3.34Å; D730-Q732 PolarHBondContact O-N 3.13Å; Q732-V734 VanDerWaalsContact C-N 3.35Å; Q732-V734 PolarHBondContact O-N 3.45Å; Q732-Y736 PolarHBondContact O-N 2.61Å; Q732-V744 HydrophobicContact CG-CB 3.92Å; Q732-V744 HydrophobicContact CG-CG1 3.75Å; Q732-V744 HydrophobicContact CG-CG2 4.48Å
733S96.9Very high94.8Very high75 Ų7554.7 Ų54.752%0.52427%0.27SS..Hα-helixtrans-60.8-42.7176.3-169.60000112.3L729 D730 V731L729-S733 PolarHBondContact O-N 3.32Å; D730-S733 WeakPolarHBondContact O-CB 3.46Å; D730-S733 PolarHBondContact O-N 3.13Å; V731-S733 VanDerWaalsContact C-N 3.3Å; V731-S733 PolarHBondContact O-N 2.84Å
734V96.8Very high95.1Very high6 Ų648.8 Ų48.84%0.03624%0.238CC..Hα-helixtrans-71.5-47178.7176.40000111.5F695 A697 L700 L701 D730 V731 Q732 Y736 R737F695-V734 HydrophobicContact CD1-CG2 3.8Å; F695-V734 HydrophobicContact CE1-CG2 3.73Å; A697-V734 HydrophobicContact CB-CB 4.45Å; A697-V734 HydrophobicContact CB-CG1 4.02Å; A697-V734 HydrophobicContact CB-CG2 3.54Å; L700-V734 HydrophobicContact CB-CG1 4.49Å; L700-V734 HydrophobicContact CD2-CG1 3.84Å; L701-V734 HydrophobicContact CD1-CG1 4.06Å; L701-V734 HydrophobicContact CD2-CG1 3.96Å; L701-V734 HydrophobicContact CG-CG1 3.68Å; D730-V734 WeakPolarHBondContact O-CG2 3.46Å; D730-V734 PolarHBondContact O-N 3.1Å; V731-V734 PolarHBondContact O-N 2.86Å; Q732-V734 VanDerWaalsContact C-N 3.35Å; Q732-V734 PolarHBondContact O-N 3.45Å; V734-Y736 PolarHBondContact O-N 2.95Å; V734-Y736 VanDerWaalsContact O-N 3.17Å; V734-R737 VanDerWaalsContact O-CB 3.29Å; V734-R737 WeakPolarHBondContact O-CB 3.31Å; V734-R737 PolarHBondContact O-N 3.06Å
735L96.5Very high95.3Very high4 Ų448.8 Ų48.82%0.02124%0.238CC..Hα-helixtrans-68.8-13.8-176.6-68.3-178.6000113.9L700 L701 L704 V711 V731 R737 H738 P742 V744L700-L735 HydrophobicContact CD2-CD2 3.9Å; L700-L735 HydrophobicContact CD2-CG 4.44Å; L701-L735 HydrophobicContact CD2-CD2 4.42Å; L704-L735 HydrophobicContact CD1-CD2 3.52Å; V711-L735 HydrophobicContact CB-CD1 4.29Å; V711-L735 HydrophobicContact CG1-CD1 4.29Å; V711-L735 HydrophobicContact CG2-CD1 4.04Å; V731-L735 HydrophobicContact CG1-CD1 3.5Å; V731-L735 HydrophobicContact CG1-CG 4Å; V731-L735 WeakPolarHBondContact O-CB 3.46Å; V731-L735 WeakPolarHBondContact O-CG 3.3Å; V731-L735 PolarHBondContact O-N 3.09Å; L735-R737 PolarHBondContact O-N 3.13Å; L735-H738 HydrophobicContact CD2-CB 4.07Å; L735-H738 VanDerWaalsContact O-CB 3.31Å; L735-H738 WeakPolarHBondContact O-CB 3.29Å; L735-H738 PolarHBondContact O-N 2.89Å; L735-P742 HydrophobicContact CD1-CG 4.15Å; L735-P742 HydrophobicContact CD2-CG 4.48Å; L735-V744 HydrophobicContact CB-CG2 4.27Å; L735-V744 HydrophobicContact CD1-CG2 3.56Å
736Y93.8Very high95.3Very high157 Ų15748.4 Ų48.462%0.61624%0.237SC*.THydrogen-bonded Turntrans-57.2-26.9165.4-171.9-96.7000112.9Q732 V734 R741Q732-Y736 PolarHBondContact O-N 2.61Å; V734-Y736 PolarHBondContact O-N 2.95Å; V734-Y736 VanDerWaalsContact O-N 3.17Å; Y736-R741 PolarHBondContact O-NH2 3.27Å
737R92.5Very high95.4Very high153 Ų15346.8 Ų46.858%0.57723%0.226SC*.THydrogen-bonded Turntrans-87.8-12.5177.4-50.9177.4-169.7178.52.5113.2E698 L701 V734 L735E698-R737 IonicContact OE1-NH1 3.95Å; L701-R737 HydrophobicContact CD1-CB 4.07Å; V734-R737 VanDerWaalsContact O-CB 3.29Å; V734-R737 WeakPolarHBondContact O-CB 3.31Å; V734-R737 PolarHBondContact O-N 3.06Å; L735-R737 PolarHBondContact O-N 3.13Å
738H91Very high95.4Very high9 Ų948.6 Ų48.64%0.04223%0.233CC..SBendtrans-68.9139.8180-165-79.4000110.6L701 L735 N740 R741L701-H738 HydrophobicContact CD2-CB 3.91Å; L735-H738 HydrophobicContact CD2-CB 4.07Å; L735-H738 VanDerWaalsContact O-CB 3.31Å; L735-H738 WeakPolarHBondContact O-CB 3.29Å; L735-H738 PolarHBondContact O-N 2.89Å; H738-N740 PolarHBondContact ND1-N 3.33Å; H738-N740 PolarHBondContact O-N 3.13Å; H738-R741 WeakPolarHBondContact O-CG 3.49Å; H738-R741 PolarHBondContact O-N 3.2Å; H738-R741 VanDerWaalsContact O-N 3.17Å
739T86.4Confident95.2Very high113 Ų11348.9 Ų48.969%0.69323%0.234SC*.THydrogen-bonded Turntrans-57.2-47.6-177.246.60000112.3
740N89.7Confident94.9Very high80 Ų8046.1 Ų46.143%0.42822%0.221SC..THydrogen-bonded Turntrans-76.4-18.4178.3-70.53.7000115.3D706 V708 H738D706-N740 PolarHBondContact O-ND2 2.84Å; V708-N740 PolarHBondContact O-ND2 3.06Å; H738-N740 PolarHBondContact ND1-N 3.33Å; H738-N740 PolarHBondContact O-N 3.13Å
741R91.9Very high94.6Very high141 Ų14148.1 Ų48.153%0.53223%0.231SC..  trans43.763-172.1-60.1-175.6171.6-151.6-8.3112.5Y736 H738Y736-R741 PolarHBondContact O-NH2 3.27Å; H738-R741 WeakPolarHBondContact O-CG 3.49Å; H738-R741 PolarHBondContact O-N 3.2Å; H738-R741 VanDerWaalsContact O-N 3.17Å
742P95.5Very high94Very high11 Ų1149.6 Ų49.67%0.07124%0.243CC..  trans-57.8155.5-177.228.2-37.6000111.6V708 E709 V711 L735 V744V708-P742 HydrophobicContact CG1-CB 4.29Å; V708-P742 HydrophobicContact CG1-CG 4.07Å; V708-P742 HydrophobicContact CG2-CB 4.38Å; E709-P742 VanDerWaalsContact C-CB 3.44Å; E709-P742 CarbonylContact O-C 3.47Å; E709-P742 WeakPolarHBondContact O-CA 3.23Å; E709-P742 VanDerWaalsContact O-CB 3.25Å; E709-P742 WeakPolarHBondContact O-CB 3.46Å; V711-P742 HydrophobicContact CG2-CB 4.14Å; V711-P742 HydrophobicContact CG2-CG 4Å; L735-P742 HydrophobicContact CD1-CG 4.15Å; L735-P742 HydrophobicContact CD2-CG 4.48Å; P742-V744 WeakPolarHBondContact O-CG2 3.43Å; P742-V744 PolarHBondContact O-N 3.08Å
743I96.5Very high93.5Very high58 Ų5848.1 Ų48.130%0.29724%0.239SC..EExtended strand (participates in β ladder)trans-70.1126173.7-61.2167.2000108.5E709 K710 V711 I745 A772 L775E709-I743 PolarHBondContact O-N 2.98Å; K710-I743 CarbonylContact C-O 3.19Å; K710-I743 WeakPolarHBondContact CA-O 3.49Å; K710-I743 HydrophobicContact CG-CB 4.37Å; V711-I743 PolarHBondContact N-O 3.13Å; I743-I745 HydrophobicContact CG2-CG2 4.4Å; I743-A772 HydrophobicContact CD1-CB 3.43Å; I743-A772 VanDerWaalsContact CD1-CB 3.43Å; I743-L775 HydrophobicContact CG2-CD1 3.94Å
744V97.7Very high93.1Very high15 Ų1547.1 Ų47.19%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-112.9117.9-177.9-168.70000110.6V711 V713 L728 V731 Q732 L735 P742V711-V744 HydrophobicContact CB-CG2 4.47Å; V711-V744 HydrophobicContact CG1-CG1 4.45Å; V711-V744 WeakPolarHBondContact O-CA 3.39Å; V713-V744 HydrophobicContact CG2-CG1 3.7Å; L728-V744 HydrophobicContact CD1-CG1 3.87Å; V731-V744 HydrophobicContact CG1-CG1 4.24Å; Q732-V744 HydrophobicContact CG-CB 3.92Å; Q732-V744 HydrophobicContact CG-CG1 3.75Å; Q732-V744 HydrophobicContact CG-CG2 4.48Å; L735-V744 HydrophobicContact CB-CG2 4.27Å; L735-V744 HydrophobicContact CD1-CG2 3.56Å; P742-V744 WeakPolarHBondContact O-CG2 3.43Å; P742-V744 PolarHBondContact O-N 3.08Å
745I97.8Very high92.8Very high1 Ų148 Ų481%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-113.3154.2174.560.8170000111V711 A712 V713 I743 L768 L775 F779V711-I745 PolarHBondContact O-N 2.72Å; A712-I745 WeakPolarHBondContact CA-O 3.4Å; A712-I745 HydrophobicContact CB-CD1 4.35Å; A712-I745 HydrophobicContact CB-CG1 4Å; V713-I745 PolarHBondContact N-O 3.48Å; I743-I745 HydrophobicContact CG2-CG2 4.4Å; I745-L768 HydrophobicContact CD1-CD2 3.6Å; I745-L768 HydrophobicContact CD1-CG 4.44Å; I745-L768 HydrophobicContact CG1-CD2 3.92Å; I745-L775 HydrophobicContact CD1-CD2 4.42Å; I745-L775 HydrophobicContact CG2-CB 4.26Å; I745-L775 HydrophobicContact CG2-CD1 4.48Å; I745-F779 HydrophobicContact CB-CE1 4.3Å; I745-F779 HydrophobicContact CD1-CD1 4.13Å; I745-F779 HydrophobicContact CD1-CE1 3.65Å; I745-F779 HydrophobicContact CG1-CE1 3.85Å
746G98Very high92.7Very high1 Ų148.1 Ų48.11%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-116.9131.9-176.300000113.5V713 Q777 R778 F779V713-G746 CarbonylContact O-C 3.52Å; V713-G746 WeakPolarHBondContact O-CA 3.26Å; G746-Q777 PolarHBondContact N-O 3.24Å; G746-R778 CarbonylContact O-C 3.55Å; G746-R778 VanDerWaalsContact O-CA 3.25Å; G746-R778 WeakPolarHBondContact O-CA 3.5Å; G746-F779 VanDerWaalsContact C-CE1 3.44Å; G746-F779 WeakPolarHBondContact O-CD1 3.46Å; G746-F779 WeakPolarHBondContact O-CE1 3.38Å; G746-F779 PolarHBondContact O-N 3.46Å
747G97.6Very high92.7Very high1 Ų141 Ų411%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-121.9134.9179.900000112.2V713 L714 D715 F779V713-G747 PolarHBondContact O-N 2.84Å; L714-G747 CarbonylContact C-O 3.58Å; L714-G747 WeakPolarHBondContact CA-O 3.11Å; D715-G747 PolarHBondContact N-O 3.23Å; G747-F779 VanDerWaalsContact CA-CE2 3.44Å; G747-F779 WeakPolarHBondContact CA-O 3.34Å
748R96.4Very high92.9Very high41 Ų4133.8 Ų33.816%0.15518%0.176CC..EExtended strand (participates in β ladder)trans-96.3139.7166.7-65.6176.5-70.5-129.30.6111.2D715 E725 F779 T780 I781D715-R748 WeakPolarHBondContact O-CA 3.13Å; E725-R748 HydrophobicContact CG-CG 3.95Å; E725-R748 WeakPolarHBondContact OE1-CD 3.35Å; E725-R748 IonicContact OE1-CZ 2.74Å; E725-R748 IonicContact OE1-NE 3.82Å; E725-R748 IonicContact OE1-NH1 2.67Å; E725-R748 PolarHBondContact OE1-NH1 3.42Å; R748-F779 PolarHBondContact N-O 3.3Å; R748-T780 HydrophobicContact CB-CG2 4.29Å; R748-T780 WeakPolarHBondContact O-CA 3.37Å; R748-I781 PolarHBondContact O-N 3.13Å; R748-I781 VanDerWaalsContact O-N 3.12Å
749Y95Very high93.2Very high5 Ų533.8 Ų33.82%0.0218%0.177CC..  trans-147.1160.1-177.178.1-77000111.8A666 L714 D715 R716 I751 V756 I781A666-Y749 HydrophobicContact CB-CD2 4.49Å; A666-Y749 HydrophobicContact CB-CE2 3.48Å; A666-Y749 VanDerWaalsContact CB-CE2 3.48Å; L714-Y749 HydrophobicContact CB-CD1 3.65Å; L714-Y749 HydrophobicContact CB-CE1 3.62Å; D715-Y749 WeakPolarHBondContact O-CD1 3.35Å; D715-Y749 PolarHBondContact O-N 3.45Å; R716-Y749 HydrophobicContact CB-CD1 4.46Å; R716-Y749 HydrophobicContact CB-CE1 3.89Å; R716-Y749 HydrophobicContact CB-CE2 4.48Å; R716-Y749 WeakPolarHBondContact CG-O 3.39Å; Y749-I751 PolarHBondContact O-N 3.25Å; Y749-V756 HydrophobicContact CD2-CB 4.49Å; Y749-V756 HydrophobicContact CD2-CG1 4.07Å; Y749-V756 HydrophobicContact CD2-CG2 3.59Å; Y749-V756 HydrophobicContact CE2-CG2 4.02Å; Y749-I781 VanDerWaalsContact CB-CG1 3.42Å
750G91Very high93.6Very high6 Ų629.2 Ų29.26%0.06215%0.148CC..  trans58.611.8160.900000118.8R716 A752 S753 K754R716-G750 VanDerWaalsContact CZ-O 3.26Å; R716-G750 PolarHBondContact NE-O 3.39Å; R716-G750 PolarHBondContact NH2-O 2.95Å; G750-A752 PolarHBondContact O-N 2.73Å; G750-S753 PolarHBondContact O-N 3.17Å; G750-K754 VanDerWaalsContact CA-O 3.29Å; G750-K754 WeakPolarHBondContact CA-O 3.37Å; G750-K754 PolarHBondContact O-N 2.81Å
751I90Very high94Very high74 Ų7425.4 Ų25.438%0.37913%0.127SC..G310 helixtrans-53137.8-178.5-63.4176.4000110.2K718 Y749 S753 K754K718-I751 HydrophobicContact CB-CD1 4.06Å; Y749-I751 PolarHBondContact O-N 3.25Å; I751-S753 VanDerWaalsContact C-N 3.34Å; I751-S753 PolarHBondContact O-N 2.97Å; I751-K754 PolarHBondContact O-N 3.43Å
752A86.7Confident94.3Very high30 Ų3019.3 Ų19.325%0.24811%0.106CC..G310 helixtrans59.542.2-179.400000112.9A523 S530 F532 D534 G750 K754A523-A752 HydrophobicContact CB-CB 4.26Å; S530-A752 WeakPolarHBondContact OG-CB 3.5Å; F532-A752 VanDerWaalsContact CB-O 3.31Å; F532-A752 WeakPolarHBondContact CB-O 3.14Å; D534-A752 PolarHBondContact OD1-N 3.15Å; G750-A752 PolarHBondContact O-N 2.73Å; A752-K754 PolarHBondContact O-N 3.38Å
753S85.3Confident94.3Very high29 Ų2919.3 Ų19.320%0.20311%0.107CC..G310 helixtrans55.223.5-174.7-51.90000115.4F532 G533 G750 I751 D755F532-S753 WeakPolarHBondContact CB-OG 3.33Å; G533-S753 PolarHBondContact N-OG 2.87Å; G533-S753 PolarHBondContact O-N 3.35Å; G533-S753 PolarHBondContact O-OG 2.95Å; G750-S753 PolarHBondContact O-N 3.17Å; I751-S753 VanDerWaalsContact C-N 3.34Å; I751-S753 PolarHBondContact O-N 2.97Å; S753-D755 PolarHBondContact O-N 2.69Å
754K90.1Very high94.4Very high55 Ų5516.5 Ų16.524%0.2399%0.092CC..  trans-57.4134.9170.7-167.1166-166.3-175.10109G750 I751 A752 G782 I783 N1042G750-K754 VanDerWaalsContact CA-O 3.29Å; G750-K754 WeakPolarHBondContact CA-O 3.37Å; G750-K754 PolarHBondContact O-N 2.81Å; I751-K754 PolarHBondContact O-N 3.43Å; A752-K754 PolarHBondContact O-N 3.38Å; K754-G782 WeakPolarHBondContact CE-O 3.13Å; K754-G782 PolarHBondContact NZ-O 3.11Å; K754-I783 HydrophobicContact CD-CG2 4.07Å; K754-N1042 VanDerWaalsContact CE-OD1 3.26Å; K754-N1042 WeakPolarHBondContact CE-OD1 3.4Å; K754-N1042 PolarHBondContact NZ-O 3.2Å
755D90.4Very high94.4Very high23 Ų2315.8 Ų15.812%0.1239%0.088CC..  trans-68.5142.1-167.5-155.918.3000112R562 S753 Q760 Y867 N868R562-D755 IonicContact NH1-OD1 2.67Å; S753-D755 PolarHBondContact O-N 2.69Å; D755-Q760 PolarHBondContact O-NE2 3.4Å; D755-Y867 WeakPolarHBondContact OD1-CA 3.41Å; D755-N868 VanDerWaalsContact OD2-CB 3.29Å; D755-N868 WeakPolarHBondContact OD2-CB 3.27Å; D755-N868 PolarHBondContact OD2-N 3.39Å; D755-N868 PolarHBondContact OD2-ND2 3.39Å
756V92.9Very high94.4Very high7 Ų718.9 Ų18.94%0.04210%0.104CC..  trans-119.799.7-173.7-173.60000107.8T669 Y749 I761 Y867T669-V756 WeakPolarHBondContact CG2-O 3.3Å; Y749-V756 HydrophobicContact CD2-CB 4.49Å; Y749-V756 HydrophobicContact CD2-CG1 4.07Å; Y749-V756 HydrophobicContact CD2-CG2 3.59Å; Y749-V756 HydrophobicContact CE2-CG2 4.02Å; V756-I761 HydrophobicContact CG1-CD1 3.92Å; V756-I761 HydrophobicContact CG1-CG1 4.48Å; V756-Y867 WeakPolarHBondContact O-CB 3.37Å
757T95Very high94.4Very high9 Ų919.4 Ų19.46%0.05511%0.107CC..  trans-99.6157.7-173.8530000111.8D759 Q760 I761 Y867 E870T757-D759 VanDerWaalsContact C-N 3.28Å; T757-D759 WeakPolarHBondContact CB-OD1 3.47Å; T757-D759 PolarHBondContact O-N 3.33Å; T757-D759 VanDerWaalsContact OG1-CG 3.3Å; T757-D759 PolarHBondContact OG1-OD1 2.94Å; T757-D759 PolarHBondContact OG1-OD2 3.41Å; T757-Q760 WeakPolarHBondContact O-CB 3.5Å; T757-Q760 PolarHBondContact O-N 3.05Å; T757-Q760 VanDerWaalsContact O-N 3.1Å; T757-Q760 WeakPolarHBondContact OG1-CG 3.41Å; T757-Q760 PolarHBondContact OG1-NE2 3.08Å; T757-I761 PolarHBondContact O-N 2.96Å; T757-Y867 HydrophobicContact CG2-CD2 4.39Å; T757-Y867 HydrophobicContact CG2-CG 4.4Å; T757-E870 HydrophobicContact CG2-CG 4.45Å
758P96.5Very high94.4Very high0 Ų019.3 Ų19.30%011%0.106CC..Hα-helixtrans-54.7-37.9-179.9-29.736.8000114.7T669 Q760 I761 V762 L798 L800 Y867T669-P758 HydrophobicContact CG2-CG 4.11Å; P758-Q760 VanDerWaalsContact C-N 3.28Å; P758-Q760 PolarHBondContact O-N 2.88Å; P758-I761 PolarHBondContact O-N 3.26Å; P758-V762 WeakPolarHBondContact O-CG2 3.41Å; P758-V762 PolarHBondContact O-N 3.4Å; P758-L798 HydrophobicContact CB-CB 4.34Å; P758-L798 HydrophobicContact CB-CD2 4.1Å; P758-L798 HydrophobicContact CB-CG 4.21Å; P758-L798 WeakPolarHBondContact CD-O 3.2Å; P758-L798 WeakPolarHBondContact CG-O 3.45Å; P758-L800 HydrophobicContact CB-CD1 3.65Å; P758-L800 HydrophobicContact CB-CG 3.91Å; P758-L800 HydrophobicContact CG-CB 4.3Å; P758-L800 HydrophobicContact CG-CD1 4.02Å; P758-L800 HydrophobicContact CG-CG 3.99Å; P758-Y867 HydrophobicContact CG-CD1 4.17Å; P758-Y867 HydrophobicContact CG-CE1 3.57Å; P758-Y867 HydrophobicContact CG-CE2 4.46Å
759D96.1Very high94.4Very high9 Ų921.5 Ų21.55%0.04812%0.12CC..Hα-helixtrans-59.7-36.7177.658.7-75.5000112.7T757 I761 V762 A763 S795 E796 L798T757-D759 VanDerWaalsContact C-N 3.28Å; T757-D759 WeakPolarHBondContact CB-OD1 3.47Å; T757-D759 PolarHBondContact O-N 3.33Å; T757-D759 VanDerWaalsContact OG1-CG 3.3Å; T757-D759 PolarHBondContact OG1-OD1 2.94Å; T757-D759 PolarHBondContact OG1-OD2 3.41Å; D759-I761 VanDerWaalsContact C-N 3.34Å; D759-I761 PolarHBondContact O-N 3.43Å; D759-V762 PolarHBondContact O-N 3.19Å; D759-A763 PolarHBondContact O-N 3.3Å; D759-S795 VanDerWaalsContact CB-OG 3.3Å; D759-S795 WeakPolarHBondContact CB-OG 3.22Å; D759-S795 PolarHBondContact O-OG 2.7Å; D759-E796 VanDerWaalsContact CB-O 3.26Å; D759-E796 WeakPolarHBondContact CB-O 3.29Å; D759-L798 HydrophobicContact CB-CB 4.07Å
760Q96.5Very high94.4Very high17 Ų1725.8 Ų25.88%0.07914%0.139CC..Hα-helixtrans-67-37.1175.1-60.8174.938.800111.5D755 T757 P758 A763 V764 I781 G782D755-Q760 PolarHBondContact O-NE2 3.4Å; T757-Q760 WeakPolarHBondContact O-CB 3.5Å; T757-Q760 PolarHBondContact O-N 3.05Å; T757-Q760 VanDerWaalsContact O-N 3.1Å; T757-Q760 WeakPolarHBondContact OG1-CG 3.41Å; T757-Q760 PolarHBondContact OG1-NE2 3.08Å; P758-Q760 VanDerWaalsContact C-N 3.28Å; P758-Q760 PolarHBondContact O-N 2.88Å; Q760-A763 WeakPolarHBondContact O-CB 3.31Å; Q760-A763 PolarHBondContact O-N 3.2Å; Q760-V764 PolarHBondContact O-N 3.29Å; Q760-I781 HydrophobicContact CB-CB 4.4Å; Q760-I781 HydrophobicContact CB-CD1 4.26Å; Q760-G782 VanDerWaalsContact OE1-CA 3.25Å
761I97.3Very high94.7Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-71.3-39.6176.2-56.6-51.3000110.8I660 T669 I670 T673 L714 V756 T757 P758 D759 A763 V764 F765 I781I660-I761 HydrophobicContact CD1-CG2 3.78Å; T669-I761 HydrophobicContact CG2-CG1 4.21Å; I670-I761 HydrophobicContact CG1-CD1 3.91Å; I670-I761 HydrophobicContact CG1-CG1 4.11Å; I670-I761 HydrophobicContact CG1-CG2 4.22Å; I670-I761 HydrophobicContact CG2-CG2 4.29Å; T673-I761 HydrophobicContact CG2-CB 3.89Å; T673-I761 HydrophobicContact CG2-CG2 3.63Å; L714-I761 HydrophobicContact CD1-CD1 4.21Å; V756-I761 HydrophobicContact CG1-CD1 3.92Å; V756-I761 HydrophobicContact CG1-CG1 4.48Å; T757-I761 PolarHBondContact O-N 2.96Å; P758-I761 PolarHBondContact O-N 3.26Å; D759-I761 VanDerWaalsContact C-N 3.34Å; D759-I761 PolarHBondContact O-N 3.43Å; I761-A763 VanDerWaalsContact C-N 3.26Å; I761-A763 PolarHBondContact O-N 3.44Å; I761-V764 WeakPolarHBondContact O-CB 3.48Å; I761-V764 PolarHBondContact O-N 2.98Å; I761-F765 HydrophobicContact CG2-CD2 4.05Å; I761-F765 HydrophobicContact CG2-CE2 3.91Å; I761-F765 PolarHBondContact O-N 2.91Å; I761-F765 VanDerWaalsContact O-N 3.14Å; I761-I781 HydrophobicContact CD1-CD1 4.15Å
762V97.4Very high94.7Very high13 Ų1328 Ų288%0.07916%0.161CC..Hα-helixtrans-57.4-41172.1170.10000110.7T673 Y676 L677 P758 D759 V764 F765 N766 L798T673-V762 HydrophobicContact CG2-CG2 3.59Å; Y676-V762 HydrophobicContact CD1-CG2 4.48Å; L677-V762 HydrophobicContact CD2-CG2 4.38Å; P758-V762 WeakPolarHBondContact O-CG2 3.41Å; P758-V762 PolarHBondContact O-N 3.4Å; D759-V762 PolarHBondContact O-N 3.19Å; V762-V764 VanDerWaalsContact C-N 3.26Å; V762-V764 PolarHBondContact O-N 3.04Å; V762-F765 PolarHBondContact O-N 2.57Å; V762-N766 WeakPolarHBondContact CG1-ND2 3.27Å; V762-N766 WeakPolarHBondContact O-CB 3.36Å; V762-N766 VanDerWaalsContact O-CG 3.24Å; V762-N766 PolarHBondContact O-N 3.46Å; V762-L798 HydrophobicContact CG2-CD2 4Å
763A97.3Very high95.1Very high11 Ų1131.5 Ų31.59%0.09119%0.19CC..Hα-helixtrans-59.2-35.7175.900000112.7D759 Q760 I761 H767 L792 P793D759-A763 PolarHBondContact O-N 3.3Å; Q760-A763 WeakPolarHBondContact O-CB 3.31Å; Q760-A763 PolarHBondContact O-N 3.2Å; I761-A763 VanDerWaalsContact C-N 3.26Å; I761-A763 PolarHBondContact O-N 3.44Å; A763-H767 VanDerWaalsContact O-CB 3.32Å; A763-H767 WeakPolarHBondContact O-CB 3.47Å; A763-H767 PolarHBondContact O-N 3.32Å; A763-L792 HydrophobicContact CB-CB 4.36Å; A763-P793 WeakPolarHBondContact CB-O 3.44Å
764V98.1Very high95.5Very high0 Ų035.9 Ų35.90%021%0.208CC..Hα-helixtrans-65.7-50.9174.1-177.30000111.1I660 A712 L714 Q760 I761 V762 N766 H767 L768 F779 I781 L792I660-V764 HydrophobicContact CD1-CB 4.01Å; I660-V764 HydrophobicContact CD1-CG1 3.81Å; I660-V764 HydrophobicContact CG1-CG1 4.12Å; A712-V764 HydrophobicContact CB-CG1 3.48Å; A712-V764 VanDerWaalsContact CB-CG1 3.48Å; L714-V764 HydrophobicContact CD2-CG2 4.41Å; Q760-V764 PolarHBondContact O-N 3.29Å; I761-V764 WeakPolarHBondContact O-CB 3.48Å; I761-V764 PolarHBondContact O-N 2.98Å; V762-V764 VanDerWaalsContact C-N 3.26Å; V762-V764 PolarHBondContact O-N 3.04Å; V764-N766 VanDerWaalsContact C-N 3.27Å; V764-N766 PolarHBondContact O-N 3.35Å; V764-H767 PolarHBondContact O-N 3.37Å; V764-L768 WeakPolarHBondContact O-CG 3.47Å; V764-L768 PolarHBondContact O-N 3.16Å; V764-F779 HydrophobicContact CG1-CE2 4.27Å; V764-F779 HydrophobicContact CG1-CZ 3.9Å; V764-F779 HydrophobicContact CG2-CE2 3.83Å; V764-F779 HydrophobicContact CG2-CZ 4.29Å; V764-I781 HydrophobicContact CG2-CD1 4.07Å; V764-I781 HydrophobicContact CG2-CG2 3.78Å; V764-L792 HydrophobicContact CG2-CD1 4.23Å
765F98Very high95.8Very high0 Ų033.8 Ų33.80%020%0.199CC..Hα-helixtrans-63.9-31.3178.4-79.6-64000113.4E658 I660 T673 V674 L677 R682 V684 G685 I761 V762 L768E658-F765 HydrophobicContact CB-CD1 4.22Å; I660-F765 HydrophobicContact CB-CZ 4.14Å; I660-F765 HydrophobicContact CD1-CD1 4.4Å; I660-F765 HydrophobicContact CD1-CD2 3.76Å; I660-F765 HydrophobicContact CD1-CE1 4.05Å; I660-F765 HydrophobicContact CD1-CE2 3.39Å; I660-F765 HydrophobicContact CD1-CG 4.27Å; I660-F765 HydrophobicContact CD1-CZ 3.54Å; I660-F765 HydrophobicContact CG1-CD1 4.38Å; I660-F765 HydrophobicContact CG1-CE1 3.8Å; I660-F765 HydrophobicContact CG1-CE2 4.02Å; I660-F765 HydrophobicContact CG1-CZ 3.6Å; T673-F765 HydrophobicContact CG2-CD2 4.41Å; V674-F765 HydrophobicContact CG2-CE2 3.9Å; V674-F765 HydrophobicContact CG2-CZ 3.7Å; L677-F765 HydrophobicContact CD1-CB 3.66Å; L677-F765 HydrophobicContact CD1-CD2 3.39Å; L677-F765 HydrophobicContact CD1-CE2 4.14Å; L677-F765 HydrophobicContact CD1-CG 3.66Å; R682-F765 PolarHBondContact NH2-O 2.85Å; R682-F765 VanDerWaalsContact NH2-O 3.12Å; V684-F765 HydrophobicContact CB-CD1 3.88Å; V684-F765 HydrophobicContact CB-CE1 3.56Å; V684-F765 HydrophobicContact CB-CZ 4Å; V684-F765 HydrophobicContact CG1-CD1 3.58Å; V684-F765 HydrophobicContact CG1-CE1 3.82Å; V684-F765 HydrophobicContact CG1-CG 4.21Å; V684-F765 HydrophobicContact CG2-CE1 4.34Å; V684-F765 HydrophobicContact CG2-CZ 4.35Å; G685-F765 WeakPolarHBondContact O-CZ 3.49Å; I761-F765 HydrophobicContact CG2-CD2 4.05Å; I761-F765 HydrophobicContact CG2-CE2 3.91Å; I761-F765 PolarHBondContact O-N 2.91Å; I761-F765 VanDerWaalsContact O-N 3.14Å; V762-F765 PolarHBondContact O-N 2.57Å; F765-L768 HydrophobicContact CD1-CD1 4.29Å
766N96.7Very high96.1Very high65 Ų6535.9 Ų35.935%0.34821%0.207SC..Hα-helixtrans-71.8-40.7173.9-73.3-14.3000111.3R682 V762 V764 L768 L769R682-N766 PolarHBondContact NH1-OD1 3.03Å; V762-N766 WeakPolarHBondContact CG1-ND2 3.27Å; V762-N766 WeakPolarHBondContact O-CB 3.36Å; V762-N766 VanDerWaalsContact O-CG 3.24Å; V762-N766 PolarHBondContact O-N 3.46Å; V764-N766 VanDerWaalsContact C-N 3.27Å; V764-N766 PolarHBondContact O-N 3.35Å; N766-L768 VanDerWaalsContact C-N 3.28Å; N766-L768 PolarHBondContact O-N 3.41Å; N766-L769 VanDerWaalsContact O-CB 3.28Å; N766-L769 WeakPolarHBondContact O-CB 3.31Å; N766-L769 PolarHBondContact O-N 2.99Å
767H97.4Very high96.2Very high12 Ų1239.9 Ų39.96%0.05623%0.225CC..Hα-helixtrans-63-37.2175.8-17063.5000111.3A763 V764 L769 F770 L775 K776 L792A763-H767 VanDerWaalsContact O-CB 3.32Å; A763-H767 WeakPolarHBondContact O-CB 3.47Å; A763-H767 PolarHBondContact O-N 3.32Å; V764-H767 PolarHBondContact O-N 3.37Å; H767-L769 PolarHBondContact O-N 2.82Å; H767-L769 VanDerWaalsContact O-N 3.13Å; H767-F770 AromaticContact CE1-CD2 3.98Å; H767-F770 AromaticContact ND1-CD2 3.61Å; H767-F770 AromaticContact ND1-CE2 3.76Å; H767-F770 WeakPolarHBondContact O-CB 3.37Å; H767-F770 PolarHBondContact O-N 3Å; H767-L775 WeakPolarHBondContact O-CD2 3.25Å; H767-K776 PolarHBondContact NE2-N 2.83Å; H767-K776 VanDerWaalsContact NE2-N 3.12Å; H767-L792 HydrophobicContact CB-CD1 3.86Å; H767-L792 HydrophobicContact CB-CD2 4.15Å
768L97.8Very high96.2Very high0 Ų041.9 Ų41.90%023%0.232CC..THydrogen-bonded Turntrans-60.5-18.9173.2-71.2174.9000113.7E658 K710 A712 I745 V764 F765 N766 F770E658-L768 HydrophobicContact CB-CB 4.32Å; E658-L768 HydrophobicContact CB-CD1 3.98Å; E658-L768 HydrophobicContact CG-CB 3.99Å; K710-L768 HydrophobicContact CB-CD2 3.97Å; K710-L768 WeakPolarHBondContact CD-O 3.49Å; K710-L768 WeakPolarHBondContact CE-O 3.38Å; K710-L768 PolarHBondContact NZ-O 3.13Å; A712-L768 HydrophobicContact CB-CD1 3.89Å; A712-L768 HydrophobicContact CB-CD2 4.1Å; A712-L768 HydrophobicContact CB-CG 4.25Å; I745-L768 HydrophobicContact CD1-CD2 3.6Å; I745-L768 HydrophobicContact CD1-CG 4.44Å; I745-L768 HydrophobicContact CG1-CD2 3.92Å; V764-L768 WeakPolarHBondContact O-CG 3.47Å; V764-L768 PolarHBondContact O-N 3.16Å; F765-L768 HydrophobicContact CD1-CD1 4.29Å; N766-L768 VanDerWaalsContact C-N 3.28Å; N766-L768 PolarHBondContact O-N 3.41Å; L768-F770 PolarHBondContact O-N 3.3Å
769L96.1Very high96.3Very high87 Ų8742 Ų4246%0.45523%0.232SC..THydrogen-bonded Turntrans-71.2-19.8174.6-65.5176.2000113.1N766 H767N766-L769 VanDerWaalsContact O-CB 3.28Å; N766-L769 WeakPolarHBondContact O-CB 3.31Å; N766-L769 PolarHBondContact O-N 2.99Å; H767-L769 PolarHBondContact O-N 2.82Å; H767-L769 VanDerWaalsContact O-N 3.13Å
770F96.8Very high96.3Very high95 Ų9541.9 Ų41.942%0.41723%0.232SC..SBendtrans-67.8152.3-175.6-68-3.8000112.5K710 H767 L768 E774 L775K710-F770 PolarHBondContact NZ-O 3.5Å; H767-F770 AromaticContact CE1-CD2 3.98Å; H767-F770 AromaticContact ND1-CD2 3.61Å; H767-F770 AromaticContact ND1-CE2 3.76Å; H767-F770 WeakPolarHBondContact O-CB 3.37Å; H767-F770 PolarHBondContact O-N 3Å; L768-F770 PolarHBondContact O-N 3.3Å; F770-E774 HydrophobicContact CB-CB 4.19Å; F770-L775 HydrophobicContact CB-CD2 4.07Å
771P95.5Very high96.4Very high72 Ų7241.5 Ų41.547%0.46823%0.23SC..  trans-55.7149.4170.8-23.334.2000111.4A773 E774 L775P771-A773 PolarHBondContact O-N 3.44Å; P771-E774 PolarHBondContact O-N 3.47Å; P771-L775 PolarHBondContact O-N 2.97Å
772A91.6Very high96.2Very high53 Ų5341.9 Ų41.944%0.43824%0.235SC..THydrogen-bonded Turntrans-50.2-36.7-176.700000114.2I743 E774 L775I743-A772 HydrophobicContact CD1-CB 3.43Å; I743-A772 VanDerWaalsContact CD1-CB 3.43Å; A772-E774 VanDerWaalsContact C-N 3.28Å; A772-E774 PolarHBondContact O-N 3.39Å; A772-L775 PolarHBondContact O-N 2.87Å
773A93.9Very high96.1Very high104 Ų10443.8 Ų43.886%0.8624%0.244SC*.THydrogen-bonded Turntrans-70.2-20.2-179.800000114.1P771P771-A773 PolarHBondContact O-N 3.44Å
774E95.2Very high96.1Very high122 Ų12246.2 Ų46.257%0.5726%0.255SS*.THydrogen-bonded Turntrans-101.4-10.5-178.2-66.3175.4-136.300112.3F770 P771 A772 K776F770-E774 HydrophobicContact CB-CB 4.19Å; P771-E774 PolarHBondContact O-N 3.47Å; A772-E774 VanDerWaalsContact C-N 3.28Å; A772-E774 PolarHBondContact O-N 3.39Å; E774-K776 PolarHBondContact O-N 2.58Å
775L96Very high96Very high10 Ų1046.8 Ų46.85%0.05226%0.258CS..SBendtrans-68.8117.5176.8-69.7175.6000111.1K710 I743 I745 H767 F770 P771 A772 Q777K710-L775 HydrophobicContact CD-CD1 4.36Å; I743-L775 HydrophobicContact CG2-CD1 3.94Å; I745-L775 HydrophobicContact CD1-CD2 4.42Å; I745-L775 HydrophobicContact CG2-CB 4.26Å; I745-L775 HydrophobicContact CG2-CD1 4.48Å; H767-L775 WeakPolarHBondContact O-CD2 3.25Å; F770-L775 HydrophobicContact CB-CD2 4.07Å; P771-L775 PolarHBondContact O-N 2.97Å; A772-L775 PolarHBondContact O-N 2.87Å; L775-Q777 PolarHBondContact O-N 2.87Å; L775-Q777 VanDerWaalsContact O-N 3.1Å
776K95.6Very high95.9Very high67 Ų6750 Ų5029%0.29128%0.275SS..  trans-57.4112.7161.6-59.4-175.1-171.2-1770109.7H767 E774 R778 F779 N789 S791 L792H767-K776 PolarHBondContact NE2-N 2.83Å; H767-K776 VanDerWaalsContact NE2-N 3.12Å; E774-K776 PolarHBondContact O-N 2.58Å; K776-R778 PolarHBondContact O-N 2.79Å; K776-F779 HydrophobicContact CB-CB 4.31Å; K776-N789 WeakPolarHBondContact CE-O 3.28Å; K776-N789 PolarHBondContact NZ-O 3.34Å; K776-S791 PolarHBondContact NZ-O 2.79Å; K776-L792 HydrophobicContact CD-CD2 4.18Å
777Q94.9Very high95.9Very high91 Ų9150 Ų5043%0.42528%0.277SS..SBendtrans-64.2-31.5178.9-65.7-59.6-48.700112.5G746 L775G746-Q777 PolarHBondContact N-O 3.24Å; L775-Q777 PolarHBondContact O-N 2.87Å; L775-Q777 VanDerWaalsContact O-N 3.1Å
778R96.1Very high95.8Very high51 Ų5153.1 Ų53.119%0.19230%0.297CS..EExtended strand (participates in β ladder)trans-125.6137171.6-57.2-64.5174.1-96.72.5108.1D723 G746 K776 L790D723-R778 VanDerWaalsContact O-CZ 3.25Å; D723-R778 PolarHBondContact O-NE 3.5Å; D723-R778 PolarHBondContact O-NH2 3.02Å; G746-R778 CarbonylContact O-C 3.55Å; G746-R778 VanDerWaalsContact O-CA 3.25Å; G746-R778 WeakPolarHBondContact O-CA 3.5Å; K776-R778 PolarHBondContact O-N 2.79Å; R778-L790 WeakPolarHBondContact O-CD2 3.49Å
779F97.3Very high95.7Very high2 Ų258 Ų581%0.00932%0.324CS..EExtended strand (participates in β ladder)trans-145.8171.2178.764.6-88.8000111.7A712 L714 I745 G746 G747 R748 V764 K776 I781 L790 L792A712-F779 HydrophobicContact CB-CZ 4.25Å; L714-F779 HydrophobicContact CD2-CE2 3.99Å; L714-F779 HydrophobicContact CD2-CZ 3.86Å; I745-F779 HydrophobicContact CB-CE1 4.3Å; I745-F779 HydrophobicContact CD1-CD1 4.13Å; I745-F779 HydrophobicContact CD1-CE1 3.65Å; I745-F779 HydrophobicContact CG1-CE1 3.85Å; G746-F779 VanDerWaalsContact C-CE1 3.44Å; G746-F779 WeakPolarHBondContact O-CD1 3.46Å; G746-F779 WeakPolarHBondContact O-CE1 3.38Å; G746-F779 PolarHBondContact O-N 3.46Å; G747-F779 VanDerWaalsContact CA-CE2 3.44Å; G747-F779 WeakPolarHBondContact CA-O 3.34Å; R748-F779 PolarHBondContact N-O 3.3Å; V764-F779 HydrophobicContact CG1-CE2 4.27Å; V764-F779 HydrophobicContact CG1-CZ 3.9Å; V764-F779 HydrophobicContact CG2-CE2 3.83Å; V764-F779 HydrophobicContact CG2-CZ 4.29Å; K776-F779 HydrophobicContact CB-CB 4.31Å; F779-I781 HydrophobicContact CD2-CG2 4Å; F779-I781 HydrophobicContact CE2-CG2 3.98Å; F779-L790 VanDerWaalsContact CA-O 3.27Å; F779-L790 WeakPolarHBondContact CA-O 3.39Å; F779-L790 WeakPolarHBondContact CB-O 3.48Å; F779-L792 HydrophobicContact CB-CD2 4.06Å; F779-L792 HydrophobicContact CB-CG 4.14Å; F779-L792 HydrophobicContact CD2-CD1 3.54Å; F779-L792 HydrophobicContact CD2-CD2 4.48Å; F779-L792 HydrophobicContact CD2-CG 3.79Å; F779-L792 HydrophobicContact CE2-CD1 3.83Å; F779-L792 HydrophobicContact CG-CD1 4.12Å; F779-L792 HydrophobicContact CG-CD2 4.37Å; F779-L792 HydrophobicContact CG-CG 4.17Å
780T97.4Very high95.7Very high8 Ų856.1 Ų56.15%0.04931%0.314CS..EExtended strand (participates in β ladder)trans-129.3152.8171.557.20000110R748 I783 L790 S791 L792R748-T780 HydrophobicContact CB-CG2 4.29Å; R748-T780 WeakPolarHBondContact O-CA 3.37Å; T780-I783 HydrophobicContact CG2-CD1 4.41Å; T780-L790 PolarHBondContact N-O 2.85Å; T780-L790 VanDerWaalsContact N-O 3.12Å; T780-S791 CarbonylContact O-C 3.53Å; T780-S791 VanDerWaalsContact O-CA 3.28Å; T780-S791 WeakPolarHBondContact O-CA 3.25Å; T780-S791 WeakPolarHBondContact OG1-CA 3.03Å; T780-S791 WeakPolarHBondContact OG1-CB 3.48Å; T780-S791 PolarHBondContact OG1-N 3.2Å; T780-L792 PolarHBondContact O-N 3.46Å
781I97Very high95.8Very high8 Ų852.5 Ų52.54%0.04130%0.3CS..  trans-127.8153.6172.361.9175.9000110.7R748 Y749 Q760 I761 V764 F779 I783 L792R748-I781 PolarHBondContact O-N 3.13Å; R748-I781 VanDerWaalsContact O-N 3.12Å; Y749-I781 VanDerWaalsContact CB-CG1 3.42Å; Q760-I781 HydrophobicContact CB-CB 4.4Å; Q760-I781 HydrophobicContact CB-CD1 4.26Å; I761-I781 HydrophobicContact CD1-CD1 4.15Å; V764-I781 HydrophobicContact CG2-CD1 4.07Å; V764-I781 HydrophobicContact CG2-CG2 3.78Å; F779-I781 HydrophobicContact CD2-CG2 4Å; F779-I781 HydrophobicContact CE2-CG2 3.98Å; I781-I783 VanDerWaalsContact C-N 3.34Å; I781-I783 PolarHBondContact O-N 3.32Å; I781-L792 HydrophobicContact CG2-CB 4.28Å; I781-L792 HydrophobicContact CG2-CD1 3.98Å; I781-L792 HydrophobicContact CG2-CG 4.25Å
782G94.2Very high95.8Very high9 Ų949.5 Ų49.59%0.09328%0.28CS..SBendtrans789.8179.200000115.4K754 Q760K754-G782 WeakPolarHBondContact CE-O 3.13Å; K754-G782 PolarHBondContact NZ-O 3.11Å; Q760-G782 VanDerWaalsContact OE1-CA 3.25Å
783I95.8Very high95.9Very high52 Ų5252 Ų5227%0.26729%0.292SS..SBendtrans-136.4162.817569.7170000110.7K754 T780 I781 D785 S791 V1046K754-I783 HydrophobicContact CD-CG2 4.07Å; T780-I783 HydrophobicContact CG2-CD1 4.41Å; I781-I783 VanDerWaalsContact C-N 3.34Å; I781-I783 PolarHBondContact O-N 3.32Å; I783-D785 HydrophobicContact CD1-CB 4.24Å; I783-S791 WeakPolarHBondContact O-CB 3.34Å; I783-V1046 HydrophobicContact CD1-CG2 4.3Å
784I96.3Very high95.2Very high62 Ų6251.4 Ų51.432%0.31827%0.272SS..BIsolated β-bridgetrans-103104.7169.2-56.3172.2000107.7M794 S1045 V1046I784-M794 HydrophobicContact CD1-CE 4.35Å; I784-M794 HydrophobicContact CG1-CE 4.16Å; I784-S1045 CarbonylContact O-C 3.52Å; I784-S1045 VanDerWaalsContact O-CA 3.31Å; I784-S1045 WeakPolarHBondContact O-CA 3.45Å; I784-V1046 PolarHBondContact O-N 2.97Å
785D96.4Very high94.5Very high13 Ų1348.2 Ų48.27%0.0726%0.263CS..  trans-105.486176.9-172.6-17.6000109.6I783 V787 T788 N789 S791 V1046I783-D785 HydrophobicContact CD1-CB 4.24Å; D785-V787 VanDerWaalsContact C-N 3.32Å; D785-V787 PolarHBondContact OD1-N 3.46Å; D785-T788 PolarHBondContact OD1-N 2.87Å; D785-T788 PolarHBondContact OD1-OG1 3.35Å; D785-T788 PolarHBondContact OD2-OG1 3.23Å; D785-N789 WeakPolarHBondContact O-CA 3.14Å; D785-N789 PolarHBondContact O-N 2.76Å; D785-S791 PolarHBondContact N-OG 2.81Å; D785-V1046 HydrophobicContact CB-CG2 3.98Å
786D96.7Very high94Very high67 Ų6756.2 Ų56.236%0.35830%0.301SS..THydrogen-bonded Turntrans-85-3.3179.154.4-12.8000113.6S1045 V1046 N1047D786-S1045 VanDerWaalsContact CG-CB 3.5Å; D786-S1045 VanDerWaalsContact CG-OG 3.24Å; D786-S1045 WeakPolarHBondContact OD1-CB 3.37Å; D786-S1045 PolarHBondContact OD1-OG 3.46Å; D786-S1045 VanDerWaalsContact OD2-CB 3.23Å; D786-S1045 WeakPolarHBondContact OD2-CB 3.18Å; D786-S1045 PolarHBondContact OD2-OG 3Å; D786-V1046 PolarHBondContact OD1-N 3.19Å; D786-N1047 VanDerWaalsContact CG-CB 3.46Å; D786-N1047 WeakPolarHBondContact OD1-CB 3.48Å; D786-N1047 PolarHBondContact OD1-N 3.1Å; D786-N1047 VanDerWaalsContact OD2-CB 3.26Å; D786-N1047 WeakPolarHBondContact OD2-CB 3.43Å
787V96.7Very high93.6Very high65 Ų6557.3 Ų57.339%0.39431%0.313SS..THydrogen-bonded Turntrans-92-56.1179.2179.60000110.3D785 V1046 N1047 I1050D785-V787 VanDerWaalsContact C-N 3.32Å; D785-V787 PolarHBondContact OD1-N 3.46Å; V787-V1046 HydrophobicContact CB-CG1 4.22Å; V787-V1046 HydrophobicContact CG2-CB 4.14Å; V787-V1046 HydrophobicContact CG2-CG1 3.83Å; V787-N1047 HydrophobicContact CG2-CB 3.69Å; V787-I1050 HydrophobicContact CG1-CD1 4.28Å; V787-I1050 HydrophobicContact CG2-CD1 3.83Å
788T94.9Very high93.5Very high77 Ų7754.8 Ų54.847%0.47230%0.302SS..THydrogen-bonded Turntrans-97.9-8.3-179.870.70000112.3D785 L790D785-T788 PolarHBondContact OD1-N 2.87Å; D785-T788 PolarHBondContact OD1-OG1 3.35Å; D785-T788 PolarHBondContact OD2-OG1 3.23Å; T788-L790 PolarHBondContact O-N 3.39Å; T788-L790 VanDerWaalsContact O-N 3.16Å; T788-L790 WeakPolarHBondContact OG1-CD1 3.32Å; T788-L790 VanDerWaalsContact OG1-CG 3.24Å; T788-L790 WeakPolarHBondContact OG1-CG 3.43Å
789N96Very high93.4Very high104 Ų10454 Ų5456%0.55630%0.302SS*.  trans55.630.4178.8-63.7-83000112K776 D785K776-N789 WeakPolarHBondContact CE-O 3.28Å; K776-N789 PolarHBondContact NZ-O 3.34Å; D785-N789 WeakPolarHBondContact O-CA 3.14Å; D785-N789 PolarHBondContact O-N 2.76Å
790L96.1Very high93.3Very high47 Ų4755.6 Ų55.625%0.24631%0.31CS..  trans-85-22.4179.4-67177.8000112.8R778 F779 T780 T788R778-L790 WeakPolarHBondContact O-CD2 3.49Å; F779-L790 VanDerWaalsContact CA-O 3.27Å; F779-L790 WeakPolarHBondContact CA-O 3.39Å; F779-L790 WeakPolarHBondContact CB-O 3.48Å; T780-L790 PolarHBondContact N-O 2.85Å; T780-L790 VanDerWaalsContact N-O 3.12Å; T788-L790 PolarHBondContact O-N 3.39Å; T788-L790 VanDerWaalsContact O-N 3.16Å; T788-L790 WeakPolarHBondContact OG1-CD1 3.32Å; T788-L790 VanDerWaalsContact OG1-CG 3.24Å; T788-L790 WeakPolarHBondContact OG1-CG 3.43Å
791S97.2Very high93.2Very high19 Ų1955.8 Ų55.813%0.13331%0.311CS..BIsolated β-bridgetrans-65.4140.3179.356.30000111.9K776 T780 I783 D785K776-S791 PolarHBondContact NZ-O 2.79Å; T780-S791 CarbonylContact O-C 3.53Å; T780-S791 VanDerWaalsContact O-CA 3.28Å; T780-S791 WeakPolarHBondContact O-CA 3.25Å; T780-S791 WeakPolarHBondContact OG1-CA 3.03Å; T780-S791 WeakPolarHBondContact OG1-CB 3.48Å; T780-S791 PolarHBondContact OG1-N 3.2Å; I783-S791 WeakPolarHBondContact O-CB 3.34Å; D785-S791 PolarHBondContact N-OG 2.81Å
792L97.2Very high93Very high8 Ų856.6 Ų56.64%0.04232%0.317CS..PPolyproline II helixtrans-79.9147.1169.1-58.1-176.2000110.1A763 V764 H767 K776 F779 T780 I781A763-L792 HydrophobicContact CB-CB 4.36Å; V764-L792 HydrophobicContact CG2-CD1 4.23Å; H767-L792 HydrophobicContact CB-CD1 3.86Å; H767-L792 HydrophobicContact CB-CD2 4.15Å; K776-L792 HydrophobicContact CD-CD2 4.18Å; F779-L792 HydrophobicContact CB-CD2 4.06Å; F779-L792 HydrophobicContact CB-CG 4.14Å; F779-L792 HydrophobicContact CD2-CD1 3.54Å; F779-L792 HydrophobicContact CD2-CD2 4.48Å; F779-L792 HydrophobicContact CD2-CG 3.79Å; F779-L792 HydrophobicContact CE2-CD1 3.83Å; F779-L792 HydrophobicContact CG-CD1 4.12Å; F779-L792 HydrophobicContact CG-CD2 4.37Å; F779-L792 HydrophobicContact CG-CG 4.17Å; T780-L792 PolarHBondContact O-N 3.46Å; I781-L792 HydrophobicContact CG2-CB 4.28Å; I781-L792 HydrophobicContact CG2-CD1 3.98Å; I781-L792 HydrophobicContact CG2-CG 4.25Å
793P92.1Very high92.8Very high107 Ų10766 Ų6670%0.69536%0.356SS*.PPolyproline II helixtrans-64.5136.4178.327.3-33.9000110.8A763A763-P793 WeakPolarHBondContact CB-O 3.44Å
794M80.3Confident92.5Very high90 Ų9066.7 Ų66.744%0.44336%0.364SS..PPolyproline II helixtrans-75138.2173.7-63-176.9-69.800109.8I784I784-M794 HydrophobicContact CD1-CE 4.35Å; I784-M794 HydrophobicContact CG1-CE 4.16Å
795S81.4Confident92.4Very high55 Ų5563.8 Ų63.839%0.38535%0.35SS..  trans-87.1-176.8168.659.60000111D759D759-S795 VanDerWaalsContact CB-OG 3.3Å; D759-S795 WeakPolarHBondContact CB-OG 3.22Å; D759-S795 PolarHBondContact O-OG 2.7Å
796E85.5Confident92.4Very high178 Ų17865.8 Ų65.883%0.83236%0.358SS*.SBendtrans-58.3147.6169.2-66.3-175.5172.600110.8D759 L798D759-E796 VanDerWaalsContact CB-O 3.26Å; D759-E796 WeakPolarHBondContact CB-O 3.29Å; E796-L798 PolarHBondContact O-N 3.42Å
797V87.1Confident92.4Very high91 Ų9162.8 Ų62.855%0.55234%0.342SS*.  trans-58.4123.4179.4177.10000109.2E870V797-E870 HydrophobicContact CG1-CB 3.73Å; V797-E870 HydrophobicContact CG1-CG 3.89Å
798L92.3Very high92.4Very high37 Ų3759.7 Ų59.719%0.19432%0.323CS..  trans-118.2112.9-177.2-178.564000109.9Y676 P758 D759 V762 E796 L800Y676-L798 HydrophobicContact CD1-CD2 3.96Å; Y676-L798 HydrophobicContact CE1-CD2 3.75Å; Y676-L798 HydrophobicContact CE2-CD1 4.47Å; P758-L798 HydrophobicContact CB-CB 4.34Å; P758-L798 HydrophobicContact CB-CD2 4.1Å; P758-L798 HydrophobicContact CB-CG 4.21Å; P758-L798 WeakPolarHBondContact CD-O 3.2Å; P758-L798 WeakPolarHBondContact CG-O 3.45Å; D759-L798 HydrophobicContact CB-CB 4.07Å; V762-L798 HydrophobicContact CG2-CD2 4Å; E796-L798 PolarHBondContact O-N 3.42Å; L798-L800 HydrophobicContact CD1-CD2 3.9Å; L798-L800 HydrophobicContact CD2-CD1 4.32Å; L798-L800 HydrophobicContact CD2-CD2 4.02Å; L798-L800 HydrophobicContact CD2-CG 4.22Å; L798-L800 HydrophobicContact CG-CD2 3.82Å; L798-L800 HydrophobicContact CG-CG 4.02Å
799D93.8Very high92.5Very high36 Ų3657.4 Ų57.419%0.19331%0.306CS..  trans-102.8111.6173.1-167.1-12.4000110.2T801 Q807 Y867 E870 A871D799-T801 VanDerWaalsContact OD1-CB 3.22Å; D799-T801 WeakPolarHBondContact OD1-CB 3.37Å; D799-T801 PolarHBondContact OD1-N 3.03Å; D799-T801 PolarHBondContact OD1-OG1 3.46Å; D799-Q807 PolarHBondContact OD2-NE2 3.06Å; D799-Q807 PolarHBondContact OD2-OE1 3.45Å; D799-Y867 WeakPolarHBondContact OD1-CE2 3.5Å; D799-Y867 PolarHBondContact OD1-OH 3.5Å; D799-E870 HydrophobicContact CB-CB 4.36Å; D799-A871 HydrophobicContact CB-CB 4Å; D799-A871 WeakPolarHBondContact OD2-CB 3.49Å; D799-A871 PolarHBondContact OD2-N 2.8Å; D799-A871 VanDerWaalsContact OD2-N 3.12Å
800L95.2Very high92.5Very high34 Ų3452.5 Ų52.518%0.17828%0.28CS..  trans-96.915179-60.2-178.8000113.3Q672 Y676 P758 L798 Y867Q672-L800 HydrophobicContact CB-CB 4.23Å; Q672-L800 HydrophobicContact CB-CD1 4.13Å; Q672-L800 PolarHBondContact NE2-O 3.29Å; Q672-L800 WeakPolarHBondContact O-CD1 3.09Å; Y676-L800 HydrophobicContact CD2-CD2 3.68Å; Y676-L800 HydrophobicContact CE2-CD2 4.36Å; Y676-L800 HydrophobicContact CG-CD1 4.2Å; Y676-L800 HydrophobicContact CG-CD2 3.81Å; P758-L800 HydrophobicContact CB-CD1 3.65Å; P758-L800 HydrophobicContact CB-CG 3.91Å; P758-L800 HydrophobicContact CG-CB 4.3Å; P758-L800 HydrophobicContact CG-CD1 4.02Å; P758-L800 HydrophobicContact CG-CG 3.99Å; L798-L800 HydrophobicContact CD1-CD2 3.9Å; L798-L800 HydrophobicContact CD2-CD1 4.32Å; L798-L800 HydrophobicContact CD2-CD2 4.02Å; L798-L800 HydrophobicContact CD2-CG 4.22Å; L798-L800 HydrophobicContact CG-CD2 3.82Å; L798-L800 HydrophobicContact CG-CG 4.02Å; L800-Y867 PolarHBondContact N-OH 3.5Å
801T95Very high92.4Very high12 Ų1250.9 Ų50.97%0.07427%0.271CS..SBendtrans-61.1135.6174-54.90000109.8D799 K803 T805 Q807 R857 S865 Y867D799-T801 VanDerWaalsContact OD1-CB 3.22Å; D799-T801 WeakPolarHBondContact OD1-CB 3.37Å; D799-T801 PolarHBondContact OD1-N 3.03Å; D799-T801 PolarHBondContact OD1-OG1 3.46Å; T801-K803 PolarHBondContact O-N 2.88Å; T801-T805 HydrophobicContact CG2-CG2 3.79Å; T801-Q807 HydrophobicContact CG2-CG 4.1Å; T801-Q807 PolarHBondContact OG1-OE1 3.05Å; T801-R857 PolarHBondContact OG1-NE 3.19Å; T801-S865 VanDerWaalsContact CA-OG 3.26Å; T801-S865 WeakPolarHBondContact CA-OG 3.41Å; T801-S865 WeakPolarHBondContact CB-OG 3.48Å; T801-S865 VanDerWaalsContact OG1-CB 3.3Å; T801-S865 WeakPolarHBondContact OG1-CB 3.5Å; T801-S865 PolarHBondContact OG1-OG 3.14Å; T801-Y867 PolarHBondContact N-OH 3.29Å; T801-Y867 VanDerWaalsContact N-OH 3.15Å; T801-Y867 PolarHBondContact OG1-OH 3.03Å
802P93Very high92.1Very high25 Ų2550 Ų5016%0.16227%0.265CS..  trans-50.7137.6179.2-29.434.9000112.7S804 T805 E861P802-S804 PolarHBondContact O-N 3Å; P802-S804 VanDerWaalsContact O-N 3.13Å; P802-T805 WeakPolarHBondContact O-CB 3.41Å; P802-T805 PolarHBondContact O-N 2.65Å; P802-E861 HydrophobicContact CB-CB 4.34Å; P802-E861 VanDerWaalsContact CB-OE2 3.29Å; P802-E861 WeakPolarHBondContact CB-OE2 3.04Å; P802-E861 HydrophobicContact CG-CB 4.34Å
803K89.6Confident91.6Very high208 Ų20850.8 Ų50.890%0.90427%0.269SS*.THydrogen-bonded Turntrans-61.7-25.4-175.6-67.2-176.2179.4179.40113.4T801 T805T801-K803 PolarHBondContact O-N 2.88Å; K803-T805 VanDerWaalsContact C-N 3.3Å
804S90Very high91.1Very high65 Ų6546 Ų4646%0.45524%0.239SC..THydrogen-bonded Turntrans-79-9.9175.656.60000114.1P802 E861P802-S804 PolarHBondContact O-N 3Å; P802-S804 VanDerWaalsContact O-N 3.13Å; S804-E861 PolarHBondContact OG-OE1 2.77Å
805T95Very high90.9Very high1 Ų147 Ų471%0.00625%0.254CS..SBendtrans-90.2118.5-178.9-63.30000109.1T801 P802 K803 R857 F858 I863T801-T805 HydrophobicContact CG2-CG2 3.79Å; P802-T805 WeakPolarHBondContact O-CB 3.41Å; P802-T805 PolarHBondContact O-N 2.65Å; K803-T805 VanDerWaalsContact C-N 3.3Å; T805-R857 HydrophobicContact CG2-CB 3.99Å; T805-F858 CarbonylContact C-O 3.58Å; T805-F858 WeakPolarHBondContact CA-O 3.35Å; T805-I863 HydrophobicContact CG2-CD1 4.21Å; T805-I863 HydrophobicContact CG2-CG1 4.17Å
806F95.9Very high90.6Very high56 Ų5645.7 Ų45.725%0.24624%0.243CC..EExtended strand (participates in β ladder)trans-72.9133.7176.6-167.6-87.7000109.7A808 R857 F858 D873 F874 F954 T958F806-A808 HydrophobicContact CD1-CB 4.43Å; F806-A808 HydrophobicContact CE1-CB 4.09Å; F806-R857 VanDerWaalsContact O-CA 3.29Å; F806-R857 WeakPolarHBondContact O-CA 3.36Å; F806-F858 HydrophobicContact CB-CD2 4.01Å; F806-F858 HydrophobicContact CB-CE1 4.45Å; F806-F858 HydrophobicContact CB-CE2 3.47Å; F806-F858 VanDerWaalsContact CB-CE2 3.47Å; F806-F858 HydrophobicContact CB-CZ 3.72Å; F806-F858 AromaticContact CD1-CE1 3.79Å; F806-F858 HydrophobicContact CD1-CE1 3.79Å; F806-F858 AromaticContact CD1-CE2 3.85Å; F806-F858 HydrophobicContact CD1-CE2 3.85Å; F806-F858 AromaticContact CD1-CZ 3.17Å; F806-F858 HydrophobicContact CD1-CZ 3.17Å; F806-F858 AromaticContact CE1-CZ 3.92Å; F806-F858 HydrophobicContact CE1-CZ 3.92Å; F806-F858 AromaticContact CG-CE2 3.81Å; F806-F858 HydrophobicContact CG-CE2 3.81Å; F806-F858 AromaticContact CG-CZ 3.64Å; F806-F858 HydrophobicContact CG-CZ 3.64Å; F806-F858 PolarHBondContact N-O 2.74Å; F806-F858 PolarHBondContact O-N 3.21Å; F806-F858 VanDerWaalsContact O-N 3.1Å; F806-D873 HydrophobicContact CD1-CB 4.49Å; F806-D873 HydrophobicContact CD2-CB 3.9Å; F806-D873 HydrophobicContact CE1-CB 4.26Å; F806-D873 HydrophobicContact CE2-CB 3.62Å; F806-D873 HydrophobicContact CG-CB 4.35Å; F806-D873 HydrophobicContact CZ-CB 3.83Å; F806-F874 HydrophobicContact CE1-CB 3.82Å; F806-F874 HydrophobicContact CZ-CB 3.79Å; F806-F954 HydrophobicContact CE1-CE2 4.22Å; F806-F954 HydrophobicContact CE1-CZ 4.45Å; F806-T958 HydrophobicContact CE1-CG2 4.15Å; F806-T958 HydrophobicContact CZ-CG2 3.7Å
807Q97Very high90.2Very high4 Ų438.5 Ų38.52%0.01922%0.217CC..EExtended strand (participates in β ladder)trans-119.8126.5-179.2-55.4-162.572.800110.7D799 T801 L856 R857 V869 A871 D873 F874D799-Q807 PolarHBondContact OD2-NE2 3.06Å; D799-Q807 PolarHBondContact OD2-OE1 3.45Å; T801-Q807 HydrophobicContact CG2-CG 4.1Å; T801-Q807 PolarHBondContact OG1-OE1 3.05Å; Q807-L856 CarbonylContact C-O 3.59Å; Q807-L856 WeakPolarHBondContact CA-O 3.26Å; Q807-R857 HydrophobicContact CG-CG 4.16Å; Q807-V869 HydrophobicContact CB-CG1 3.84Å; Q807-V869 HydrophobicContact CB-CG2 4.24Å; Q807-A871 WeakPolarHBondContact CB-O 3.33Å; Q807-A871 PolarHBondContact NE2-O 3.05Å; Q807-A871 VanDerWaalsContact NE2-O 3.08Å; Q807-D873 PolarHBondContact N-OD2 3.47Å; Q807-D873 PolarHBondContact O-N 3.38Å; Q807-F874 PolarHBondContact O-N 3.26Å
808A96.9Very high90Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-127.9144179.800000112F806 F810 L856 F874 F954F806-A808 HydrophobicContact CD1-CB 4.43Å; F806-A808 HydrophobicContact CE1-CB 4.09Å; A808-F810 HydrophobicContact CB-CD2 4.44Å; A808-F810 HydrophobicContact CB-CE2 3.55Å; A808-F810 HydrophobicContact CB-CZ 4.02Å; A808-L856 HydrophobicContact CB-CB 4.2Å; A808-L856 PolarHBondContact N-O 3.23Å; A808-L856 PolarHBondContact O-N 2.9Å; A808-F874 CarbonylContact C-O 3.59Å; A808-F874 VanDerWaalsContact CA-O 3.31Å; A808-F874 WeakPolarHBondContact CA-O 3.43Å; A808-F874 HydrophobicContact CB-CB 4.05Å; A808-F874 HydrophobicContact CB-CD1 4.39Å; A808-F954 HydrophobicContact CB-CE2 4.12Å; A808-F954 HydrophobicContact CB-CZ 4.46Å
809K96.6Very high89.7Confident28 Ų2833.4 Ų33.412%0.12219%0.187CC..EExtended strand (participates in β ladder)trans-127.7129.7178.6-171177.4-177.9172.10110.5N853 S854 A872 F874 V875 G876K809-N853 WeakPolarHBondContact CE-ND2 3.34Å; K809-N853 VanDerWaalsContact CG-OD1 3.3Å; K809-N853 WeakPolarHBondContact CG-OD1 3.42Å; K809-S854 CarbonylContact C-O 2.7Å; K809-S854 WeakPolarHBondContact CA-O 3.47Å; K809-A872 HydrophobicContact CB-CB 4.37Å; K809-F874 PolarHBondContact N-O 2.96Å; K809-V875 HydrophobicContact CB-CG2 4.37Å; K809-V875 CarbonylContact O-C 3.55Å; K809-V875 VanDerWaalsContact O-CA 3.27Å; K809-V875 WeakPolarHBondContact O-CA 3.45Å; K809-G876 PolarHBondContact O-N 3.4Å
810F95.9Very high89.2Confident2 Ų233.6 Ų33.61%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-125.1122.7-176.6-59.3-97.3000111.4A808 T818 N822 N853 S854 L856 F874 G876 H878 F954A808-F810 HydrophobicContact CB-CD2 4.44Å; A808-F810 HydrophobicContact CB-CE2 3.55Å; A808-F810 HydrophobicContact CB-CZ 4.02Å; F810-T818 HydrophobicContact CB-CG2 4.46Å; F810-N822 VanDerWaalsContact CB-ND2 3.26Å; F810-N822 WeakPolarHBondContact CB-ND2 3.49Å; F810-N822 WeakPolarHBondContact CD1-OD1 3.46Å; F810-N822 WeakPolarHBondContact CG-ND2 3.41Å; F810-N822 WeakPolarHBondContact CG-OD1 3.35Å; F810-N853 CarbonylContact O-C 3.54Å; F810-N853 VanDerWaalsContact O-CA 3.28Å; F810-N853 WeakPolarHBondContact O-CA 3.45Å; F810-S854 PolarHBondContact N-O 2.96Å; F810-S854 PolarHBondContact O-N 3.28Å; F810-L856 HydrophobicContact CD2-CD1 4.19Å; F810-L856 HydrophobicContact CE2-CB 4.39Å; F810-L856 HydrophobicContact CE2-CD1 4.21Å; F810-L856 HydrophobicContact CE2-CD2 3.91Å; F810-L856 HydrophobicContact CE2-CG 4.39Å; F810-F874 HydrophobicContact CD1-CE1 4.32Å; F810-F874 HydrophobicContact CE1-CD1 4.03Å; F810-F874 AromaticContact CE1-CE1 3.6Å; F810-F874 HydrophobicContact CE1-CE1 3.6Å; F810-F874 HydrophobicContact CZ-CD1 4.05Å; F810-F874 HydrophobicContact CZ-CE1 4.05Å; F810-G876 CarbonylContact C-O 3.33Å; F810-G876 WeakPolarHBondContact CA-O 3.45Å; F810-H878 AromaticContact CD1-NE2 3.71Å; F810-F954 HydrophobicContact CE1-CB 4.4Å; F810-F954 AromaticContact CE1-CD2 3.93Å; F810-F954 HydrophobicContact CE1-CD2 3.93Å; F810-F954 HydrophobicContact CE1-CE2 4.48Å; F810-F954 HydrophobicContact CE1-CG 4.2Å; F810-F954 HydrophobicContact CE2-CE2 4.49Å; F810-F954 HydrophobicContact CZ-CD1 4.41Å; F810-F954 AromaticContact CZ-CD2 3.51Å; F810-F954 HydrophobicContact CZ-CD2 3.51Å; F810-F954 AromaticContact CZ-CE2 3.64Å; F810-F954 HydrophobicContact CZ-CE2 3.64Å; F810-F954 AromaticContact CZ-CG 3.91Å; F810-F954 HydrophobicContact CZ-CG 3.91Å; F810-F954 HydrophobicContact CZ-CZ 4.16Å
811W94.6Very high88.7Confident13 Ų1332 Ų325%0.04919%0.19CC..EExtended strand (participates in β ladder)trans-96.7118.1174.6-60.384.7000109.5L851 G876 H878 Y882 Y886 L888W811-L851 HydrophobicContact CE3-CD1 4.09Å; W811-L851 HydrophobicContact CE3-CD2 4.43Å; W811-L851 HydrophobicContact CZ3-CD2 4.15Å; W811-G876 PolarHBondContact N-O 2.97Å; W811-H878 PolarHBondContact O-N 3.42Å; W811-Y882 HydrophobicContact CB-CD2 4.23Å; W811-Y886 HydrophobicContact CE3-CG 4.46Å; W811-Y886 HydrophobicContact CZ3-CD1 4.36Å; W811-Y886 HydrophobicContact CZ3-CD2 4.49Å; W811-Y886 HydrophobicContact CZ3-CG 4.01Å; W811-L888 HydrophobicContact CB-CD2 4.12Å; W811-L888 HydrophobicContact CD2-CD2 3.56Å; W811-L888 HydrophobicContact CE3-CD2 3.99Å; W811-L888 HydrophobicContact CG-CD2 3.6Å; W811-L888 HydrophobicContact CZ2-CD2 4.45Å; W811-L888 PolarHBondContact NE1-O 3.2Å
812G90.5Very high88.5Confident0 Ų031.6 Ų31.60%019%0.187CC..EExtended strand (participates in β ladder)trans-142.6176.8-179.700000113T852 Y882G812-T852 WeakPolarHBondContact CA-OG1 3.29Å; G812-T852 PolarHBondContact N-O 3.31Å; G812-T852 PolarHBondContact O-N 3.44Å; G812-T852 PolarHBondContact O-OG1 3.04Å; G812-Y882 PolarHBondContact O-OH 3.39Å
813L85.3Confident88.3Confident25 Ų2533.8 Ų33.813%0.13119%0.194CC..EExtended strand (participates in β ladder)trans-107.9136.5178.3-172.276.9000110.1S815 D816 G849 G850 Y882 I1071L813-S815 PolarHBondContact O-N 2.81Å; L813-D816 HydrophobicContact CB-CB 4.15Å; L813-D816 WeakPolarHBondContact CB-OD2 3.34Å; L813-D816 PolarHBondContact N-OD2 2.71Å; L813-D816 WeakPolarHBondContact O-CB 3.43Å; L813-D816 PolarHBondContact O-N 2.95Å; L813-G849 WeakPolarHBondContact CD1-O 3.43Å; L813-G850 CarbonylContact C-O 3.57Å; L813-G850 WeakPolarHBondContact CA-O 2.97Å; L813-Y882 WeakPolarHBondContact CD1-OH 3.38Å; L813-I1071 HydrophobicContact CD1-CB 4.36Å; L813-I1071 HydrophobicContact CD1-CD1 3.99Å; L813-I1071 HydrophobicContact CD1-CG2 4.15Å; L813-I1071 HydrophobicContact CD2-CD1 4.44Å
814G82.6Confident88.2Confident6 Ų625 Ų256%0.06216%0.156CC..THydrogen-bonded Turntrans-53.8130.5173.100000110.8K847 G849 G850G814-K847 WeakPolarHBondContact CA-O 3.12Å; G814-G849 WeakPolarHBondContact O-CA 3.08Å; G814-G849 PolarHBondContact O-N 2.95Å; G814-G850 PolarHBondContact N-O 3.48Å
815S75.2Confident88.2Confident110 Ų11021.9 Ų21.977%0.76914%0.135SC*.THydrogen-bonded Turntrans76.54.5-175.6-46.10000117.3L813L813-S815 PolarHBondContact O-N 2.81Å
816D75.6Confident88.1Confident28 Ų2822.1 Ų22.115%0.1514%0.136CC..SBendtrans-86.1-7.1174.774.21.6000114.4L813 T818L813-D816 HydrophobicContact CB-CB 4.15Å; L813-D816 WeakPolarHBondContact CB-OD2 3.34Å; L813-D816 PolarHBondContact N-OD2 2.71Å; L813-D816 WeakPolarHBondContact O-CB 3.43Å; L813-D816 PolarHBondContact O-N 2.95Å; D816-T818 WeakPolarHBondContact OD1-CA 3.3Å; D816-T818 WeakPolarHBondContact OD1-CB 3.42Å; D816-T818 PolarHBondContact OD1-N 3.31Å; D816-T818 PolarHBondContact OD1-OG1 3.24Å; D816-T818 PolarHBondContact OD2-OG1 3.36Å; D816-T818 VanDerWaalsContact OD2-OG1 3.05Å
817G77.4Confident87.8Confident27 Ų2724.2 Ų24.228%0.27815%0.145SC..SBendtrans93.2-3.9-178.500000115.6V819 G820 A821 N947G817-V819 PolarHBondContact O-N 2.69Å; G817-G820 WeakPolarHBondContact O-CA 3.28Å; G817-G820 PolarHBondContact O-N 3.33Å; G817-G820 VanDerWaalsContact O-N 3.13Å; G817-A821 PolarHBondContact O-N 2.91Å; G817-N947 WeakPolarHBondContact O-CB 3.37Å
818T82.8Confident87.5Confident1 Ų124 Ų241%0.00614%0.144CC..Hα-helixtrans-58-50.8-178.9-63.20000112.8F810 D816 G820 A821 N822 H878F810-T818 HydrophobicContact CB-CG2 4.46Å; D816-T818 WeakPolarHBondContact OD1-CA 3.3Å; D816-T818 WeakPolarHBondContact OD1-CB 3.42Å; D816-T818 PolarHBondContact OD1-N 3.31Å; D816-T818 PolarHBondContact OD1-OG1 3.24Å; D816-T818 PolarHBondContact OD2-OG1 3.36Å; D816-T818 VanDerWaalsContact OD2-OG1 3.05Å; T818-G820 VanDerWaalsContact C-N 3.26Å; T818-G820 PolarHBondContact O-N 2.95Å; T818-A821 WeakPolarHBondContact O-CB 3.2Å; T818-A821 PolarHBondContact O-N 2.87Å; T818-N822 VanDerWaalsContact O-CG 3.26Å; T818-N822 PolarHBondContact O-N 3.01Å; T818-N822 PolarHBondContact O-ND2 2.86Å; T818-H878 WeakPolarHBondContact CB-ND1 3.39Å; T818-H878 HydrophobicContact CG2-CB 4.49Å; T818-H878 WeakPolarHBondContact CG2-ND1 2.94Å; T818-H878 WeakPolarHBondContact OG1-CB 3.01Å; T818-H878 PolarHBondContact OG1-ND1 3.35Å
819V85.8Confident87.2Confident20 Ų2024 Ų2412%0.12114%0.144CC..Hα-helixtrans-59.4-40.8176.8176.80000110.7G817 N822 K823 F841 Y843 T852G817-V819 PolarHBondContact O-N 2.69Å; V819-N822 PolarHBondContact O-N 3.44Å; V819-K823 HydrophobicContact CG1-CD 4.35Å; V819-K823 HydrophobicContact CG1-CG 4.43Å; V819-K823 WeakPolarHBondContact O-CB 3.47Å; V819-K823 WeakPolarHBondContact O-CG 3.44Å; V819-K823 PolarHBondContact O-N 3.21Å; V819-F841 HydrophobicContact CG1-CB 4.41Å; V819-F841 HydrophobicContact CG1-CD1 3.76Å; V819-F841 HydrophobicContact CG1-CE1 4.34Å; V819-F841 HydrophobicContact CG1-CG 4.12Å; V819-Y843 HydrophobicContact CG1-CE1 4.16Å; V819-Y843 WeakPolarHBondContact CG1-OH 3.11Å; V819-Y843 HydrophobicContact CG2-CE1 3.88Å; V819-T852 HydrophobicContact CG2-CG2 3.9Å
820G83.3Confident86.9Confident40 Ų4022.9 Ų22.941%0.41214%0.14SC..Hα-helixtrans-61.5-45.7177.100000112.2G817 T818 N822 K823 Q824G817-G820 WeakPolarHBondContact O-CA 3.28Å; G817-G820 PolarHBondContact O-N 3.33Å; G817-G820 VanDerWaalsContact O-N 3.13Å; T818-G820 VanDerWaalsContact C-N 3.26Å; T818-G820 PolarHBondContact O-N 2.95Å; G820-N822 VanDerWaalsContact C-N 3.35Å; G820-N822 PolarHBondContact O-N 2.95Å; G820-K823 PolarHBondContact O-N 2.65Å; G820-Q824 WeakPolarHBondContact O-CB 3.41Å; G820-Q824 PolarHBondContact O-N 2.99Å
821A84.8Confident86.6Confident1 Ų128.5 Ų28.51%0.00817%0.17CC..Hα-helixtrans-58-46.5174.800000111.6G817 T818 Q824 A825 N947G817-A821 PolarHBondContact O-N 2.91Å; T818-A821 WeakPolarHBondContact O-CB 3.2Å; T818-A821 PolarHBondContact O-N 2.87Å; A821-Q824 WeakPolarHBondContact O-CB 3.49Å; A821-Q824 PolarHBondContact O-N 3.41Å; A821-A825 WeakPolarHBondContact O-CB 3.28Å; A821-A825 PolarHBondContact O-N 2.79Å; A821-N947 HydrophobicContact CB-CB 4.03Å; A821-N947 WeakPolarHBondContact CB-O 3.1Å
822N91.1Very high86.4Confident4 Ų431.8 Ų31.82%0.02119%0.189CC..Hα-helixtrans-68.6-38.1-179.2-65.2-26.6000112.6F810 T818 V819 G820 Q824 A825 I826 F841 S854 L856F810-N822 VanDerWaalsContact CB-ND2 3.26Å; F810-N822 WeakPolarHBondContact CB-ND2 3.49Å; F810-N822 WeakPolarHBondContact CD1-OD1 3.46Å; F810-N822 WeakPolarHBondContact CG-ND2 3.41Å; F810-N822 WeakPolarHBondContact CG-OD1 3.35Å; T818-N822 VanDerWaalsContact O-CG 3.26Å; T818-N822 PolarHBondContact O-N 3.01Å; T818-N822 PolarHBondContact O-ND2 2.86Å; V819-N822 PolarHBondContact O-N 3.44Å; G820-N822 VanDerWaalsContact C-N 3.35Å; G820-N822 PolarHBondContact O-N 2.95Å; N822-Q824 VanDerWaalsContact C-N 3.31Å; N822-A825 PolarHBondContact O-N 3.37Å; N822-I826 WeakPolarHBondContact O-CG2 3.45Å; N822-I826 PolarHBondContact O-N 2.78Å; N822-F841 HydrophobicContact CB-CE1 3.76Å; N822-S854 VanDerWaalsContact ND2-CB 3.29Å; N822-S854 WeakPolarHBondContact ND2-CB 3.45Å; N822-S854 PolarHBondContact ND2-OG 3.02Å; N822-L856 HydrophobicContact CB-CD1 4.14Å; N822-L856 HydrophobicContact CB-CD2 4.49Å
823K88.9Confident86.3Confident71 Ų7133 Ų3331%0.30920%0.196SC..Hα-helixtrans-62.3-39171.9-76.1-171.6176-169.50111.7L567 V819 G820 I826 K827 F841L567-K823 HydrophobicContact CD1-CB 3.89Å; L567-K823 HydrophobicContact CD1-CD 4.28Å; L567-K823 HydrophobicContact CD1-CG 3.69Å; V819-K823 HydrophobicContact CG1-CD 4.35Å; V819-K823 HydrophobicContact CG1-CG 4.43Å; V819-K823 WeakPolarHBondContact O-CB 3.47Å; V819-K823 WeakPolarHBondContact O-CG 3.44Å; V819-K823 PolarHBondContact O-N 3.21Å; G820-K823 PolarHBondContact O-N 2.65Å; K823-I826 WeakPolarHBondContact O-CG2 3.31Å; K823-K827 WeakPolarHBondContact O-CB 3.32Å; K823-K827 WeakPolarHBondContact O-CG 3.35Å; K823-K827 PolarHBondContact O-N 2.99Å; K823-F841 HydrophobicContact CB-CZ 4.25Å; K823-F841 HydrophobicContact CD-CE2 4.34Å; K823-F841 HydrophobicContact CD-CZ 4.46Å; K823-F841 HydrophobicContact CG-CD2 4.3Å; K823-F841 HydrophobicContact CG-CE1 3.83Å; K823-F841 HydrophobicContact CG-CE2 3.6Å; K823-F841 HydrophobicContact CG-CZ 3.32Å
824Q87.6Confident86.5Confident22 Ų2239.2 Ų39.210%0.10323%0.23CC..Hα-helixtrans-67.8-48.5176.1-174.9-176.5-6.800110.7G820 A821 N822 I826 K827 I828 E973G820-Q824 WeakPolarHBondContact O-CB 3.41Å; G820-Q824 PolarHBondContact O-N 2.99Å; A821-Q824 WeakPolarHBondContact O-CB 3.49Å; A821-Q824 PolarHBondContact O-N 3.41Å; N822-Q824 VanDerWaalsContact C-N 3.31Å; Q824-I826 PolarHBondContact O-N 2.85Å; Q824-K827 PolarHBondContact O-N 3.08Å; Q824-I828 HydrophobicContact CG-CD1 3.93Å; Q824-I828 HydrophobicContact CG-CG1 4.49Å; Q824-I828 WeakPolarHBondContact O-CG1 3.42Å; Q824-I828 PolarHBondContact O-N 2.98Å; Q824-E973 HydrophobicContact CG-CB 4.39Å
825A90.6Very high86.9Confident1 Ų142 Ų421%0.00824%0.239CC..Hα-helixtrans-56.6-49.4-18000000112.2A821 N822 K827 I828 I829 F954 F955A821-A825 WeakPolarHBondContact O-CB 3.28Å; A821-A825 PolarHBondContact O-N 2.79Å; N822-A825 PolarHBondContact O-N 3.37Å; A825-K827 VanDerWaalsContact C-N 3.32Å; A825-K827 PolarHBondContact O-N 3.36Å; A825-I828 PolarHBondContact O-N 3.22Å; A825-I829 VanDerWaalsContact O-CG1 3.3Å; A825-I829 WeakPolarHBondContact O-CG1 3.47Å; A825-I829 PolarHBondContact O-N 2.92Å; A825-F954 HydrophobicContact CB-CD1 4.11Å; A825-F954 HydrophobicContact CB-CE1 4.26Å; A825-F955 HydrophobicContact CB-CE2 3.93Å; A825-F955 HydrophobicContact CB-CZ 4.16Å
826I91.6Very high87.7Confident5 Ų541.8 Ų41.83%0.02622%0.222CC..Hα-helixtrans-66.3-33.3180-162.667.6000112.6L567 N822 K823 Q824 G830 A837 A839 L856 F858L567-I826 HydrophobicContact CB-CG2 4.2Å; L567-I826 HydrophobicContact CD1-CG2 3.72Å; N822-I826 WeakPolarHBondContact O-CG2 3.45Å; N822-I826 PolarHBondContact O-N 2.78Å; K823-I826 WeakPolarHBondContact O-CG2 3.31Å; Q824-I826 PolarHBondContact O-N 2.85Å; I826-G830 PolarHBondContact O-N 2.85Å; I826-A837 HydrophobicContact CD1-CB 3.81Å; I826-A837 HydrophobicContact CG1-CB 4Å; I826-A839 HydrophobicContact CB-CB 4.14Å; I826-A839 HydrophobicContact CG1-CB 3.93Å; I826-A839 HydrophobicContact CG2-CB 3.91Å; I826-L856 HydrophobicContact CB-CD2 4.19Å; I826-L856 HydrophobicContact CB-CG 4.44Å; I826-L856 HydrophobicContact CD1-CD2 4.45Å; I826-L856 HydrophobicContact CD1-CG 4.34Å; I826-F858 HydrophobicContact CD1-CB 4.37Å; I826-F858 HydrophobicContact CD1-CD1 3.95Å
827K90.2Very high88.5Confident100 Ų10040.8 Ų40.844%0.43522%0.218SC..Hα-helixtrans-67.6-44.5174.6-76.8176.8179.5-1700111.8L567 K823 Q824 A825 I829 G830 N831L567-K827 HydrophobicContact CD1-CG 4.46Å; K823-K827 WeakPolarHBondContact O-CB 3.32Å; K823-K827 WeakPolarHBondContact O-CG 3.35Å; K823-K827 PolarHBondContact O-N 2.99Å; Q824-K827 PolarHBondContact O-N 3.08Å; A825-K827 VanDerWaalsContact C-N 3.32Å; A825-K827 PolarHBondContact O-N 3.36Å; K827-I829 VanDerWaalsContact C-N 3.3Å; K827-I829 PolarHBondContact O-N 3.46Å; K827-G830 PolarHBondContact O-N 3.23Å; K827-N831 WeakPolarHBondContact O-CB 3.47Å; K827-N831 VanDerWaalsContact O-CG 3.24Å; K827-N831 PolarHBondContact O-N 3.04Å; K827-N831 PolarHBondContact O-ND2 3.12Å
828I90Very high89.2Confident0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-58-47.4175.8-71.5171.3000109.6Q824 A825 N832 F955 M961 L969 L970 E973Q824-I828 HydrophobicContact CG-CD1 3.93Å; Q824-I828 HydrophobicContact CG-CG1 4.49Å; Q824-I828 WeakPolarHBondContact O-CG1 3.42Å; Q824-I828 PolarHBondContact O-N 2.98Å; A825-I828 PolarHBondContact O-N 3.22Å; I828-N832 VanDerWaalsContact O-CB 3.3Å; I828-N832 WeakPolarHBondContact O-CB 3.32Å; I828-N832 PolarHBondContact O-N 2.9Å; I828-N832 VanDerWaalsContact O-N 3.07Å; I828-N832 PolarHBondContact O-ND2 2.83Å; I828-F955 HydrophobicContact CB-CZ 4.01Å; I828-F955 HydrophobicContact CD1-CE2 4.31Å; I828-F955 HydrophobicContact CG2-CE1 4.3Å; I828-F955 HydrophobicContact CG2-CE2 4.49Å; I828-F955 HydrophobicContact CG2-CZ 3.79Å; I828-M961 HydrophobicContact CG2-CE 4.24Å; I828-M961 HydrophobicContact CG2-SD 4.24Å; I828-L969 HydrophobicContact CG2-CB 4.19Å; I828-L969 HydrophobicContact CG2-CD1 4.13Å; I828-L970 HydrophobicContact CD1-CD2 3.51Å; I828-L970 HydrophobicContact CD1-CG 4.22Å; I828-E973 HydrophobicContact CD1-CG 4.04Å; I828-E973 HydrophobicContact CG1-CG 3.92Å
829I91.8Very high89.7Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-61.4-54.2177.8-65.3165.2000110.5A825 K827 N831 T833 Y835 F858 F954 F955 I960A825-I829 VanDerWaalsContact O-CG1 3.3Å; A825-I829 WeakPolarHBondContact O-CG1 3.47Å; A825-I829 PolarHBondContact O-N 2.92Å; K827-I829 VanDerWaalsContact C-N 3.3Å; K827-I829 PolarHBondContact O-N 3.46Å; I829-N831 PolarHBondContact O-N 3.14Å; I829-T833 WeakPolarHBondContact O-CB 3.48Å; I829-T833 WeakPolarHBondContact O-CG2 3.33Å; I829-T833 PolarHBondContact O-N 2.92Å; I829-T833 PolarHBondContact O-OG1 2.83Å; I829-Y835 HydrophobicContact CG2-CD2 4.11Å; I829-F858 HydrophobicContact CD1-CD1 3.91Å; I829-F858 HydrophobicContact CD1-CD2 4.45Å; I829-F858 HydrophobicContact CD1-CE1 3.8Å; I829-F858 HydrophobicContact CD1-CE2 4.34Å; I829-F858 HydrophobicContact CD1-CG 4.25Å; I829-F858 HydrophobicContact CD1-CZ 4.04Å; I829-F858 HydrophobicContact CG2-CB 3.94Å; I829-F858 HydrophobicContact CG2-CD2 4.06Å; I829-F858 HydrophobicContact CG2-CG 3.89Å; I829-F954 HydrophobicContact CD1-CE1 4.16Å; I829-F955 HydrophobicContact CD1-CE1 4.13Å; I829-F955 HydrophobicContact CD1-CZ 4.3Å; I829-F955 HydrophobicContact CG1-CE1 3.77Å; I829-F955 HydrophobicContact CG1-CZ 3.99Å; I829-I960 HydrophobicContact CD1-CD1 4.14Å; I829-I960 HydrophobicContact CG1-CG2 4.45Å
830G89.5Confident89.9Confident4 Ų439.2 Ų39.24%0.04120%0.201CC..Hα-helixtrans-66.7-31.4-174.900000115K569 I826 K827K569-G830 PolarHBondContact NZ-O 2.85Å; I826-G830 PolarHBondContact O-N 2.85Å; K827-G830 PolarHBondContact O-N 3.23Å
831N89.7Confident90.2Very high121 Ų12137.6 Ų37.665%0.64718%0.183SC*.Hα-helixtrans-87.8-24.9-177.9-68-12000113.4K827 I829K827-N831 WeakPolarHBondContact O-CB 3.47Å; K827-N831 VanDerWaalsContact O-CG 3.24Å; K827-N831 PolarHBondContact O-N 3.04Å; K827-N831 PolarHBondContact O-ND2 3.12Å; I829-N831 PolarHBondContact O-N 3.14Å
832N89.9Confident90.2Very high82 Ų8240.2 Ų40.244%0.43920%0.201SC..Hα-helixtrans-1148-175.8-57.1-84.5000113.1I828 M961 L969I828-N832 VanDerWaalsContact O-CB 3.3Å; I828-N832 WeakPolarHBondContact O-CB 3.32Å; I828-N832 PolarHBondContact O-N 2.9Å; I828-N832 VanDerWaalsContact O-N 3.07Å; I828-N832 PolarHBondContact O-ND2 2.83Å; N832-M961 HydrophobicContact CB-CE 4.17Å; N832-L969 HydrophobicContact CB-CD1 3.83Å; N832-L969 WeakPolarHBondContact OD1-CD2 3.46Å
833T89.3Confident89.8Confident26 Ų2642.4 Ų42.416%0.1621%0.209CC..SBendtrans-135.6164.1172.173.70000111K569 I829 Y835 M961K569-T833 PolarHBondContact NZ-O 2.87Å; I829-T833 WeakPolarHBondContact O-CB 3.48Å; I829-T833 WeakPolarHBondContact O-CG2 3.33Å; I829-T833 PolarHBondContact O-N 2.92Å; I829-T833 PolarHBondContact O-OG1 2.83Å; T833-Y835 HydrophobicContact CG2-CD2 4.42Å; T833-Y835 PolarHBondContact O-N 3.44Å; T833-Y835 VanDerWaalsContact OG1-CB 3.31Å; T833-Y835 WeakPolarHBondContact OG1-CB 3.44Å; T833-Y835 PolarHBondContact OG1-N 3.41Å; T833-Y835 VanDerWaalsContact OG1-N 3.15Å; T833-M961 HydrophobicContact CG2-CE 3.27Å
834D88.4Confident89.3Confident155 Ų15540.6 Ų40.683%0.82920%0.203SC*.SBendtrans-79.29170.5-63.6-33.7000112.7
835Y92.1Very high88.6Confident63 Ų6344.9 Ų44.925%0.24724%0.235CC..  trans-72.5140.8179.3-62.1-19000111.6I829 T833 F858 G859 K860 I960I829-Y835 HydrophobicContact CG2-CD2 4.11Å; T833-Y835 HydrophobicContact CG2-CD2 4.42Å; T833-Y835 PolarHBondContact O-N 3.44Å; T833-Y835 VanDerWaalsContact OG1-CB 3.31Å; T833-Y835 WeakPolarHBondContact OG1-CB 3.44Å; T833-Y835 PolarHBondContact OG1-N 3.41Å; T833-Y835 VanDerWaalsContact OG1-N 3.15Å; Y835-F858 HydrophobicContact CD2-CD2 4.14Å; Y835-G859 CarbonylContact C-O 3.57Å; Y835-G859 VanDerWaalsContact CA-O 3.27Å; Y835-G859 WeakPolarHBondContact CA-O 3.34Å; Y835-G859 WeakPolarHBondContact CB-O 3.42Å; Y835-K860 HydrophobicContact CD1-CG 3.81Å; Y835-K860 HydrophobicContact CE1-CD 4.36Å; Y835-K860 HydrophobicContact CE1-CG 3.56Å; Y835-I960 HydrophobicContact CE2-CG2 4.11Å
836Y91.5Very high87.9Confident107 Ų10748.5 Ų48.542%0.4225%0.251SS..EExtended strand (participates in β ladder)trans-63.9135.4155-64.1-85.9000107.5F858 G859 K860 E861 P862Y836-F858 CarbonylContact O-C 3.33Å; Y836-F858 WeakPolarHBondContact O-CA 3.12Å; Y836-F858 WeakPolarHBondContact O-CB 3.48Å; Y836-G859 PolarHBondContact N-O 2.8Å; Y836-G859 PolarHBondContact O-N 2.93Å; Y836-K860 WeakPolarHBondContact CE2-O 3.22Å; Y836-E861 WeakPolarHBondContact CD2-O 3.16Å; Y836-P862 HydrophobicContact CE1-CG 4.34Å; Y836-P862 HydrophobicContact CE2-CG 4.05Å
837A92.7Very high86.9Confident7 Ų755.5 Ų55.56%0.05828%0.281CS..EExtended strand (participates in β ladder)trans-132.8133.1-176.900000109Q568 K569 I826 F858Q568-A837 WeakPolarHBondContact CA-O 2.89Å; K569-A837 PolarHBondContact N-O 3.34Å; I826-A837 HydrophobicContact CD1-CB 3.81Å; I826-A837 HydrophobicContact CG1-CB 4Å; A837-F858 HydrophobicContact CB-CB 4.43Å
838Q92.5Very high86.2Confident3 Ų354.6 Ų54.61%0.01429%0.287CS..EExtended strand (participates in β ladder)trans-139.6136178.6-179.5177.565.900109.3E566 L567 Y840 R857 I863 S865E566-Q838 WeakPolarHBondContact OE1-CG 3.49Å; E566-Q838 PolarHBondContact OE1-NE2 2.87Å; L567-Q838 CarbonylContact O-C 3.44Å; L567-Q838 VanDerWaalsContact O-CA 3.28Å; L567-Q838 WeakPolarHBondContact O-CA 3.21Å; Q838-Y840 HydrophobicContact CG-CD2 4.34Å; Q838-Y840 HydrophobicContact CG-CE2 3.74Å; Q838-Y840 PolarHBondContact NE2-OH 2.84Å; Q838-R857 HydrophobicContact CB-CB 4.45Å; Q838-R857 PolarHBondContact N-O 2.88Å; Q838-R857 PolarHBondContact O-N 3.49Å; Q838-I863 HydrophobicContact CB-CD1 4.02Å; Q838-I863 HydrophobicContact CB-CG2 4.4Å; Q838-I863 VanDerWaalsContact OE1-CG2 3.22Å; Q838-S865 PolarHBondContact OE1-O 2.89Å
839A92.7Very high85.5Confident0 Ų055.5 Ų55.50%030%0.296CS..EExtended strand (participates in β ladder)trans-141.9132.9171.700000111.9E566 L567 I826 F841 H855 L856E566-A839 CarbonylContact C-O 3.39Å; E566-A839 WeakPolarHBondContact CA-O 3.44Å; L567-A839 HydrophobicContact CB-CB 4.4Å; L567-A839 PolarHBondContact N-O 3.47Å; L567-A839 PolarHBondContact O-N 2.97Å; I826-A839 HydrophobicContact CB-CB 4.14Å; I826-A839 HydrophobicContact CG1-CB 3.93Å; I826-A839 HydrophobicContact CG2-CB 3.91Å; A839-F841 HydrophobicContact CB-CE2 3.84Å; A839-F841 HydrophobicContact CB-CZ 3.64Å; A839-H855 CarbonylContact C-O 3.31Å; A839-H855 VanDerWaalsContact CA-O 3.23Å; A839-H855 WeakPolarHBondContact CA-O 3.48Å; A839-L856 HydrophobicContact CB-CD1 3.89Å; A839-L856 HydrophobicContact CB-CG 3.9Å
840Y90.2Very high85.2Confident11 Ų1155.5 Ų55.54%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-112.2138171.7-60.3-73.9000110.7R562 E566 Q838 S854 H855R562-Y840 HydrophobicContact CG-CD1 4.05Å; R562-Y840 HydrophobicContact CG-CE1 3.84Å; R562-Y840 VanDerWaalsContact NH2-CZ 3.25Å; E566-Y840 HydrophobicContact CB-CD1 3.87Å; E566-Y840 HydrophobicContact CB-CE1 3.91Å; E566-Y840 HydrophobicContact CG-CD1 3.84Å; E566-Y840 HydrophobicContact CG-CE1 3.58Å; E566-Y840 VanDerWaalsContact OE1-CE1 3.22Å; E566-Y840 WeakPolarHBondContact OE1-CE1 3.5Å; E566-Y840 PolarHBondContact OE1-OH 2.89Å; E566-Y840 VanDerWaalsContact OE2-CE1 3.3Å; E566-Y840 WeakPolarHBondContact OE2-CE1 3.25Å; Q838-Y840 HydrophobicContact CG-CD2 4.34Å; Q838-Y840 HydrophobicContact CG-CE2 3.74Å; Q838-Y840 PolarHBondContact NE2-OH 2.84Å; Y840-S854 CarbonylContact O-C 3.36Å; Y840-S854 WeakPolarHBondContact O-CA 3.3Å; Y840-H855 PolarHBondContact N-O 2.81Å; Y840-H855 PolarHBondContact O-N 2.78Å
841F88.6Confident85.2Confident7 Ų755.6 Ų55.63%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-117.4108.1178.9-54.6-80.4000109.9H565 L567 V819 N822 K823 A839 Y843 S854 L856H565-F841 WeakPolarHBondContact O-CD2 3.33Å; H565-F841 PolarHBondContact O-N 2.84Å; L567-F841 HydrophobicContact CD1-CE2 3.99Å; L567-F841 HydrophobicContact CD1-CZ 4.27Å; L567-F841 HydrophobicContact CG-CE2 4.13Å; V819-F841 HydrophobicContact CG1-CB 4.41Å; V819-F841 HydrophobicContact CG1-CD1 3.76Å; V819-F841 HydrophobicContact CG1-CE1 4.34Å; V819-F841 HydrophobicContact CG1-CG 4.12Å; N822-F841 HydrophobicContact CB-CE1 3.76Å; K823-F841 HydrophobicContact CB-CZ 4.25Å; K823-F841 HydrophobicContact CD-CE2 4.34Å; K823-F841 HydrophobicContact CD-CZ 4.46Å; K823-F841 HydrophobicContact CG-CD2 4.3Å; K823-F841 HydrophobicContact CG-CE1 3.83Å; K823-F841 HydrophobicContact CG-CE2 3.6Å; K823-F841 HydrophobicContact CG-CZ 3.32Å; A839-F841 HydrophobicContact CB-CE2 3.84Å; A839-F841 HydrophobicContact CB-CZ 3.64Å; F841-Y843 HydrophobicContact CB-CE2 3.53Å; F841-Y843 WeakPolarHBondContact CB-OH 3.49Å; F841-Y843 VanDerWaalsContact O-CD2 3.23Å; F841-Y843 WeakPolarHBondContact O-CD2 3.33Å; F841-Y843 WeakPolarHBondContact O-CE2 3.34Å; F841-S854 WeakPolarHBondContact CD1-OG 3.36Å; F841-L856 HydrophobicContact CE1-CD1 4.42Å
842S85.6Confident85.2Confident55 Ų5549.9 Ų49.939%0.38527%0.265SS..EExtended strand (participates in β ladder)trans-89.4135.2174-177.10000110.3T852 N853S842-T852 VanDerWaalsContact O-CA 3.31Å; S842-T852 WeakPolarHBondContact O-CA 3.19Å; S842-N853 WeakPolarHBondContact CB-O 3.43Å; S842-N853 PolarHBondContact N-O 2.82Å; S842-N853 PolarHBondContact O-N 2.94Å
843Y81.7Confident85.3Confident50 Ų5047 Ų4720%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-128.7138.2179.6-54.6-96.7000109H565 V819 F841 T852H565-Y843 HydrophobicContact CB-CE2 4.32Å; H565-Y843 AromaticContact CD2-CD2 3.85Å; H565-Y843 AromaticContact CD2-CE2 3.33Å; H565-Y843 WeakPolarHBondContact CD2-CE2 3.35Å; V819-Y843 HydrophobicContact CG1-CE1 4.16Å; V819-Y843 WeakPolarHBondContact CG1-OH 3.11Å; V819-Y843 HydrophobicContact CG2-CE1 3.88Å; F841-Y843 HydrophobicContact CB-CE2 3.53Å; F841-Y843 WeakPolarHBondContact CB-OH 3.49Å; F841-Y843 VanDerWaalsContact O-CD2 3.23Å; F841-Y843 WeakPolarHBondContact O-CD2 3.33Å; F841-Y843 WeakPolarHBondContact O-CE2 3.34Å; Y843-T852 HydrophobicContact CD1-CG2 3.75Å; Y843-T852 HydrophobicContact CE1-CG2 4.21Å
844D78.2Confident85.6Confident33 Ų3345.8 Ų45.818%0.17624%0.242CC..  trans-70.6163.8164.18413.5000111.5K846 K847 G850 L851D844-K846 PolarHBondContact O-N 2.95Å; D844-K846 WeakPolarHBondContact OD1-CA 3.42Å; D844-K846 WeakPolarHBondContact OD1-CB 3.25Å; D844-K846 PolarHBondContact OD1-N 3.33Å; D844-K847 PolarHBondContact O-N 2.77Å; D844-K847 VanDerWaalsContact O-N 3.13Å; D844-G850 VanDerWaalsContact CG-CA 3.46Å; D844-G850 WeakPolarHBondContact OD1-CA 3.38Å; D844-G850 VanDerWaalsContact OD2-CA 3.24Å; D844-G850 WeakPolarHBondContact OD2-CA 3.04Å; D844-L851 VanDerWaalsContact CG-N 3.27Å; D844-L851 PolarHBondContact N-O 3.37Å; D844-L851 PolarHBondContact OD2-N 3.1Å
845S74.4Confident85.9Confident113 Ų11338.7 Ų38.779%0.7921%0.205SC*.THydrogen-bonded Turntrans-64.8-9.7-177.7-55.10000114.7K847S845-K847 VanDerWaalsContact C-N 3.31Å
846K76Confident86.1Confident77 Ų7735.7 Ų35.734%0.33519%0.193SC..THydrogen-bonded Turntrans-76.9-21.2176.3-55.2-177.3175.778.10111.8D844 S848 E1067D844-K846 PolarHBondContact O-N 2.95Å; D844-K846 WeakPolarHBondContact OD1-CA 3.42Å; D844-K846 WeakPolarHBondContact OD1-CB 3.25Å; D844-K846 PolarHBondContact OD1-N 3.33Å; K846-S848 VanDerWaalsContact C-N 3.29Å; K846-S848 PolarHBondContact O-N 3.49Å; K846-E1067 WeakPolarHBondContact CE-OE1 3.31Å; K846-E1067 IonicContact NZ-OE1 3.61Å; K846-E1067 PolarHBondContact NZ-OE1 3.41Å; K846-E1067 IonicContact NZ-OE2 3.58Å
847K70.5Confident86.3Confident152 Ų15230.7 Ų30.766%0.66117%0.173SC*.  trans57.2-80.1-173.9-61.6-178175.5-176.30112.5G814 D844 S845 G850G814-K847 WeakPolarHBondContact CA-O 3.12Å; D844-K847 PolarHBondContact O-N 2.77Å; D844-K847 VanDerWaalsContact O-N 3.13Å; S845-K847 VanDerWaalsContact C-N 3.31Å; K847-G850 PolarHBondContact O-N 2.87Å
848S74.9Confident86.4Confident81 Ų8130.6 Ų30.657%0.56617%0.171SC*.THydrogen-bonded Turntrans-77.1131.9177.364.40000110.9K846 G850K846-S848 VanDerWaalsContact C-N 3.29Å; K846-S848 PolarHBondContact O-N 3.49Å; S848-G850 PolarHBondContact O-N 3.17Å; S848-G850 VanDerWaalsContact O-N 3.1Å
849G76.3Confident86.5Confident18 Ų1830.6 Ų30.619%0.18617%0.172CC..THydrogen-bonded Turntrans62.511.2-174.500000113L813 G814 R1069L813-G849 WeakPolarHBondContact CD1-O 3.43Å; G814-G849 WeakPolarHBondContact O-CA 3.08Å; G814-G849 PolarHBondContact O-N 2.95Å; G849-R1069 PolarHBondContact O-NH1 3.36Å; G849-R1069 PolarHBondContact O-NH2 2.97Å
850G84.1Confident86.4Confident0 Ų037.9 Ų37.90%020%0.204CC..SBendtrans-81.416817500000112.4L813 G814 D844 K847 S848L813-G850 CarbonylContact C-O 3.57Å; L813-G850 WeakPolarHBondContact CA-O 2.97Å; G814-G850 PolarHBondContact N-O 3.48Å; D844-G850 VanDerWaalsContact CG-CA 3.46Å; D844-G850 WeakPolarHBondContact OD1-CA 3.38Å; D844-G850 VanDerWaalsContact OD2-CA 3.24Å; D844-G850 WeakPolarHBondContact OD2-CA 3.04Å; K847-G850 PolarHBondContact O-N 2.87Å; S848-G850 PolarHBondContact O-N 3.17Å; S848-G850 VanDerWaalsContact O-N 3.1Å
851L89.8Confident86.5Confident6 Ų642 Ų423%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-68.3139.3166.7178.966.8000110.1W811 D844 Y882 Y886 Q1039W811-L851 HydrophobicContact CE3-CD1 4.09Å; W811-L851 HydrophobicContact CE3-CD2 4.43Å; W811-L851 HydrophobicContact CZ3-CD2 4.15Å; D844-L851 VanDerWaalsContact CG-N 3.27Å; D844-L851 PolarHBondContact N-O 3.37Å; D844-L851 PolarHBondContact OD2-N 3.1Å; L851-Y882 HydrophobicContact CD1-CD2 4.22Å; L851-Y882 HydrophobicContact CD1-CE2 3.53Å; L851-Y886 HydrophobicContact CD1-CE2 4.12Å; L851-Y886 HydrophobicContact CD2-CE1 4Å; L851-Q1039 VanDerWaalsContact CD2-CD 3.44Å; L851-Q1039 HydrophobicContact CD2-CG 3.44Å; L851-Q1039 VanDerWaalsContact CD2-CG 3.44Å
852T90.3Very high86.5Confident1 Ų145.2 Ų45.21%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-125.3140.6168.7630000110.2G812 V819 S842 Y843G812-T852 WeakPolarHBondContact CA-OG1 3.29Å; G812-T852 PolarHBondContact N-O 3.31Å; G812-T852 PolarHBondContact O-N 3.44Å; G812-T852 PolarHBondContact O-OG1 3.04Å; V819-T852 HydrophobicContact CG2-CG2 3.9Å; S842-T852 VanDerWaalsContact O-CA 3.31Å; S842-T852 WeakPolarHBondContact O-CA 3.19Å; Y843-T852 HydrophobicContact CD1-CG2 3.75Å; Y843-T852 HydrophobicContact CE1-CG2 4.21Å
853N92Very high86.7Confident22 Ų2243.1 Ų43.112%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-131.7117.7175.1179.77.7000108.8K809 F810 S842 H855K809-N853 WeakPolarHBondContact CE-ND2 3.34Å; K809-N853 VanDerWaalsContact CG-OD1 3.3Å; K809-N853 WeakPolarHBondContact CG-OD1 3.42Å; F810-N853 CarbonylContact O-C 3.54Å; F810-N853 VanDerWaalsContact O-CA 3.28Å; F810-N853 WeakPolarHBondContact O-CA 3.45Å; S842-N853 WeakPolarHBondContact CB-O 3.43Å; S842-N853 PolarHBondContact N-O 2.82Å; S842-N853 PolarHBondContact O-N 2.94Å; N853-H855 PolarHBondContact ND2-CE1 3.25Å; N853-H855 VanDerWaalsContact ND2-CE1 3.34Å; N853-H855 PolarHBondContact ND2-NE2 3.24Å
854S94.3Very high87.1Confident0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-103.8129.5179.1-43.90000109.9K809 F810 N822 Y840 F841K809-S854 CarbonylContact C-O 2.7Å; K809-S854 WeakPolarHBondContact CA-O 3.47Å; F810-S854 PolarHBondContact N-O 2.96Å; F810-S854 PolarHBondContact O-N 3.28Å; N822-S854 VanDerWaalsContact ND2-CB 3.29Å; N822-S854 WeakPolarHBondContact ND2-CB 3.45Å; N822-S854 PolarHBondContact ND2-OG 3.02Å; Y840-S854 CarbonylContact O-C 3.36Å; Y840-S854 WeakPolarHBondContact O-CA 3.3Å; F841-S854 WeakPolarHBondContact CD1-OG 3.36Å
855H95.5Very high87.8Confident7 Ų742.4 Ų42.43%0.03223%0.229CC..EExtended strand (participates in β ladder)trans-112.6111.6179-63.1-87.2000108.4A839 Y840 N853 V869A839-H855 CarbonylContact C-O 3.31Å; A839-H855 VanDerWaalsContact CA-O 3.23Å; A839-H855 WeakPolarHBondContact CA-O 3.48Å; Y840-H855 PolarHBondContact N-O 2.81Å; Y840-H855 PolarHBondContact O-N 2.78Å; N853-H855 PolarHBondContact ND2-CE1 3.25Å; N853-H855 VanDerWaalsContact ND2-CE1 3.34Å; N853-H855 PolarHBondContact ND2-NE2 3.24Å; H855-V869 HydrophobicContact CB-CB 4.4Å; H855-V869 HydrophobicContact CB-CG2 3.93Å; H855-V869 PolarHBondContact ND1-N 2.82Å; H855-V869 VanDerWaalsContact ND1-N 3.17Å
856L95.7Very high88.5Confident0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-111.7137.9-177.7-86.865000109.5Q807 A808 F810 N822 I826 A839 F841Q807-L856 CarbonylContact C-O 3.59Å; Q807-L856 WeakPolarHBondContact CA-O 3.26Å; A808-L856 HydrophobicContact CB-CB 4.2Å; A808-L856 PolarHBondContact N-O 3.23Å; A808-L856 PolarHBondContact O-N 2.9Å; F810-L856 HydrophobicContact CD2-CD1 4.19Å; F810-L856 HydrophobicContact CE2-CB 4.39Å; F810-L856 HydrophobicContact CE2-CD1 4.21Å; F810-L856 HydrophobicContact CE2-CD2 3.91Å; F810-L856 HydrophobicContact CE2-CG 4.39Å; N822-L856 HydrophobicContact CB-CD1 4.14Å; N822-L856 HydrophobicContact CB-CD2 4.49Å; I826-L856 HydrophobicContact CB-CD2 4.19Å; I826-L856 HydrophobicContact CB-CG 4.44Å; I826-L856 HydrophobicContact CD1-CD2 4.45Å; I826-L856 HydrophobicContact CD1-CG 4.34Å; A839-L856 HydrophobicContact CB-CD1 3.89Å; A839-L856 HydrophobicContact CB-CG 3.9Å; F841-L856 HydrophobicContact CE1-CD1 4.42Å
857R95.6Very high89.2Confident1 Ų134.4 Ų34.40%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-134.9136.6170.5-65.1-171.6175.3106.3-0.6110T801 T805 F806 Q807 Q838 I863 S865 Y867 N868 V869T801-R857 PolarHBondContact OG1-NE 3.19Å; T805-R857 HydrophobicContact CG2-CB 3.99Å; F806-R857 VanDerWaalsContact O-CA 3.29Å; F806-R857 WeakPolarHBondContact O-CA 3.36Å; Q807-R857 HydrophobicContact CG-CG 4.16Å; Q838-R857 HydrophobicContact CB-CB 4.45Å; Q838-R857 PolarHBondContact N-O 2.88Å; Q838-R857 PolarHBondContact O-N 3.49Å; R857-I863 HydrophobicContact CB-CD1 3.9Å; R857-I863 HydrophobicContact CB-CG2 4.18Å; R857-I863 WeakPolarHBondContact O-CD1 3.44Å; R857-S865 PolarHBondContact NH1-O 2.95Å; R857-Y867 PolarHBondContact NH1-O 2.59Å; R857-Y867 PolarHBondContact NH2-O 2.61Å; R857-N868 PolarHBondContact NH2-O 3Å; R857-V869 HydrophobicContact CG-CG2 4.09Å
858F95.4Very high90.3Very high5 Ų529.3 Ų29.32%0.02216%0.161CC..EExtended strand (participates in β ladder)trans-153145.5170.849.5-89.7000111.4T805 F806 I826 I829 Y835 Y836 A837 F954 I960T805-F858 CarbonylContact C-O 3.58Å; T805-F858 WeakPolarHBondContact CA-O 3.35Å; F806-F858 HydrophobicContact CB-CD2 4.01Å; F806-F858 HydrophobicContact CB-CE1 4.45Å; F806-F858 HydrophobicContact CB-CE2 3.47Å; F806-F858 VanDerWaalsContact CB-CE2 3.47Å; F806-F858 HydrophobicContact CB-CZ 3.72Å; F806-F858 AromaticContact CD1-CE1 3.79Å; F806-F858 HydrophobicContact CD1-CE1 3.79Å; F806-F858 AromaticContact CD1-CE2 3.85Å; F806-F858 HydrophobicContact CD1-CE2 3.85Å; F806-F858 AromaticContact CD1-CZ 3.17Å; F806-F858 HydrophobicContact CD1-CZ 3.17Å; F806-F858 AromaticContact CE1-CZ 3.92Å; F806-F858 HydrophobicContact CE1-CZ 3.92Å; F806-F858 AromaticContact CG-CE2 3.81Å; F806-F858 HydrophobicContact CG-CE2 3.81Å; F806-F858 AromaticContact CG-CZ 3.64Å; F806-F858 HydrophobicContact CG-CZ 3.64Å; F806-F858 PolarHBondContact N-O 2.74Å; F806-F858 PolarHBondContact O-N 3.21Å; F806-F858 VanDerWaalsContact O-N 3.1Å; I826-F858 HydrophobicContact CD1-CB 4.37Å; I826-F858 HydrophobicContact CD1-CD1 3.95Å; I829-F858 HydrophobicContact CD1-CD1 3.91Å; I829-F858 HydrophobicContact CD1-CD2 4.45Å; I829-F858 HydrophobicContact CD1-CE1 3.8Å; I829-F858 HydrophobicContact CD1-CE2 4.34Å; I829-F858 HydrophobicContact CD1-CG 4.25Å; I829-F858 HydrophobicContact CD1-CZ 4.04Å; I829-F858 HydrophobicContact CG2-CB 3.94Å; I829-F858 HydrophobicContact CG2-CD2 4.06Å; I829-F858 HydrophobicContact CG2-CG 3.89Å; Y835-F858 HydrophobicContact CD2-CD2 4.14Å; Y836-F858 CarbonylContact O-C 3.33Å; Y836-F858 WeakPolarHBondContact O-CA 3.12Å; Y836-F858 WeakPolarHBondContact O-CB 3.48Å; A837-F858 HydrophobicContact CB-CB 4.43Å; F858-F954 HydrophobicContact CE1-CZ 4.06Å; F858-F954 HydrophobicContact CZ-CZ 4.08Å; F858-I960 HydrophobicContact CE1-CD1 4.26Å; F858-I960 HydrophobicContact CE2-CD1 3.38Å; F858-I960 HydrophobicContact CE2-CG1 3.7Å; F858-I960 HydrophobicContact CE2-CG2 4.05Å; F858-I960 HydrophobicContact CZ-CD1 3.19Å; F858-I960 HydrophobicContact CZ-CG1 4Å
859G93.7Very high91.2Very high3 Ų325.6 Ų25.63%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-178.7177.4-176.300000113.3Y835 Y836 E861Y835-G859 CarbonylContact C-O 3.57Å; Y835-G859 VanDerWaalsContact CA-O 3.27Å; Y835-G859 WeakPolarHBondContact CA-O 3.34Å; Y835-G859 WeakPolarHBondContact CB-O 3.42Å; Y836-G859 PolarHBondContact N-O 2.8Å; Y836-G859 PolarHBondContact O-N 2.93Å; G859-E861 VanDerWaalsContact C-N 3.32Å
860K91.4Very high91.9Very high153 Ų15327.3 Ų27.367%0.66514%0.138SC*.SBendtrans-77.6-17.1-179.6-65.5-176.7179.6-179.30113.9Y835 Y836Y835-K860 HydrophobicContact CD1-CG 3.81Å; Y835-K860 HydrophobicContact CE1-CD 4.36Å; Y835-K860 HydrophobicContact CE1-CG 3.56Å; Y836-K860 WeakPolarHBondContact CE2-O 3.22Å
861E91.3Very high92.4Very high98 Ų9828.4 Ų28.446%0.45815%0.148SC..SBendtrans-101.8148.7-178.3-64.5-178.3-161.300110.6P802 S804 Y836 G859 I863P802-E861 HydrophobicContact CB-CB 4.34Å; P802-E861 VanDerWaalsContact CB-OE2 3.29Å; P802-E861 WeakPolarHBondContact CB-OE2 3.04Å; P802-E861 HydrophobicContact CG-CB 4.34Å; S804-E861 PolarHBondContact OG-OE1 2.77Å; Y836-E861 WeakPolarHBondContact CD2-O 3.16Å; G859-E861 VanDerWaalsContact C-N 3.32Å; E861-I863 PolarHBondContact O-N 3.27Å
862P89.1Confident92.7Very high74 Ų7428.3 Ų28.348%0.48115%0.148SC..  trans-54134.6173-25.934.5000112.2Y836 L864Y836-P862 HydrophobicContact CE1-CG 4.34Å; Y836-P862 HydrophobicContact CE2-CG 4.05Å; P862-L864 PolarHBondContact O-N 3.08Å
863I91.3Very high93Very high12 Ų1230 Ų306%0.06216%0.157CC..  trans-95.597.9-176.2-54.2168.7000109.1T805 Q838 R857 E861T805-I863 HydrophobicContact CG2-CD1 4.21Å; T805-I863 HydrophobicContact CG2-CG1 4.17Å; Q838-I863 HydrophobicContact CB-CD1 4.02Å; Q838-I863 HydrophobicContact CB-CG2 4.4Å; Q838-I863 VanDerWaalsContact OE1-CG2 3.22Å; R857-I863 HydrophobicContact CB-CD1 3.9Å; R857-I863 HydrophobicContact CB-CG2 4.18Å; R857-I863 WeakPolarHBondContact O-CD1 3.44Å; E861-I863 PolarHBondContact O-N 3.27Å
864L89.6Confident93.3Very high68 Ų6829 Ų2936%0.35615%0.152SC..  trans-88-7.5175.2-60.5-177.3000113.4P668 Q672 P862 T866P668-L864 HydrophobicContact CB-CB 4.15Å; P668-L864 WeakPolarHBondContact CB-O 3.27Å; Q672-L864 HydrophobicContact CG-CB 3.9Å; Q672-L864 HydrophobicContact CG-CD1 4.45Å; Q672-L864 PolarHBondContact OE1-O 3.14Å; P862-L864 PolarHBondContact O-N 3.08Å; L864-T866 VanDerWaalsContact C-N 3.31Å; L864-T866 PolarHBondContact O-N 2.81Å
865S92.6Very high93.5Very high0 Ų029.1 Ų29.10%015%0.152CC..  trans-69.881.3-177.5-51.40000112Q672 T801 Q838 R857 Y867Q672-S865 PolarHBondContact NE2-OG 3.08Å; T801-S865 VanDerWaalsContact CA-OG 3.26Å; T801-S865 WeakPolarHBondContact CA-OG 3.41Å; T801-S865 WeakPolarHBondContact CB-OG 3.48Å; T801-S865 VanDerWaalsContact OG1-CB 3.3Å; T801-S865 WeakPolarHBondContact OG1-CB 3.5Å; T801-S865 PolarHBondContact OG1-OG 3.14Å; Q838-S865 PolarHBondContact OE1-O 2.89Å; R857-S865 PolarHBondContact NH1-O 2.95Å; S865-Y867 PolarHBondContact O-N 2.74Å
866T88.3Confident93.5Very high22 Ų2228.8 Ų28.814%0.13515%0.15CC..  trans-80.816.8179.547.20000113.7R562 S665 P668 T669 L864R562-T866 PolarHBondContact NH1-O 3.36Å; R562-T866 VanDerWaalsContact NH2-C 3.31Å; R562-T866 PolarHBondContact NH2-O 3.47Å; S665-T866 PolarHBondContact O-OG1 2.87Å; P668-T866 HydrophobicContact CB-CG2 4Å; P668-T866 HydrophobicContact CG-CG2 3.99Å; T669-T866 PolarHBondContact OG1-OG1 3.08Å; L864-T866 VanDerWaalsContact C-N 3.31Å; L864-T866 PolarHBondContact O-N 2.81Å
867Y91.4Very high93.5Very high0 Ų028.8 Ų28.80%015%0.15CC..SBendtrans-108.5168.3173.450.6-86.2000110.4T669 D755 V756 T757 P758 D799 L800 T801 R857 S865 E870T669-Y867 HydrophobicContact CG2-CD1 4.05Å; T669-Y867 HydrophobicContact CG2-CE1 4.45Å; D755-Y867 WeakPolarHBondContact OD1-CA 3.41Å; V756-Y867 WeakPolarHBondContact O-CB 3.37Å; T757-Y867 HydrophobicContact CG2-CD2 4.39Å; T757-Y867 HydrophobicContact CG2-CG 4.4Å; P758-Y867 HydrophobicContact CG-CD1 4.17Å; P758-Y867 HydrophobicContact CG-CE1 3.57Å; P758-Y867 HydrophobicContact CG-CE2 4.46Å; D799-Y867 WeakPolarHBondContact OD1-CE2 3.5Å; D799-Y867 PolarHBondContact OD1-OH 3.5Å; L800-Y867 PolarHBondContact N-OH 3.5Å; T801-Y867 PolarHBondContact N-OH 3.29Å; T801-Y867 VanDerWaalsContact N-OH 3.15Å; T801-Y867 PolarHBondContact OG1-OH 3.03Å; R857-Y867 PolarHBondContact NH1-O 2.59Å; R857-Y867 PolarHBondContact NH2-O 2.61Å; S865-Y867 PolarHBondContact O-N 2.74Å; Y867-E870 HydrophobicContact CD2-CG 4.46Å
868N92.7Very high93.3Very high44 Ų4429 Ų2924%0.23515%0.151CC..  trans-64.1163.2179-68.8-50.1000112D755 R857 E870D755-N868 VanDerWaalsContact OD2-CB 3.29Å; D755-N868 WeakPolarHBondContact OD2-CB 3.27Å; D755-N868 PolarHBondContact OD2-N 3.39Å; D755-N868 PolarHBondContact OD2-ND2 3.39Å; R857-N868 PolarHBondContact NH2-O 3Å; N868-E870 PolarHBondContact O-N 2.65Å; N868-E870 VanDerWaalsContact O-N 3.14Å
869V94.4Very high93Very high3 Ų329.7 Ų29.72%0.01816%0.155CC..  trans-67.7112.4174.2172.30000109.4Q807 H855 R857 A872Q807-V869 HydrophobicContact CB-CG1 3.84Å; Q807-V869 HydrophobicContact CB-CG2 4.24Å; H855-V869 HydrophobicContact CB-CB 4.4Å; H855-V869 HydrophobicContact CB-CG2 3.93Å; H855-V869 PolarHBondContact ND1-N 2.82Å; H855-V869 VanDerWaalsContact ND1-N 3.17Å; R857-V869 HydrophobicContact CG-CG2 4.09Å; V869-A872 HydrophobicContact CG1-CB 3.8Å
870E92.2Very high92.7Very high54 Ų5430.7 Ų30.725%0.25216%0.162SC..SBendtrans-98.3-34176.4-68.8-57.3138.900112T757 V797 D799 Y867 N868 G891T757-E870 HydrophobicContact CG2-CG 4.45Å; V797-E870 HydrophobicContact CG1-CB 3.73Å; V797-E870 HydrophobicContact CG1-CG 3.89Å; D799-E870 HydrophobicContact CB-CB 4.36Å; Y867-E870 HydrophobicContact CD2-CG 4.46Å; N868-E870 PolarHBondContact O-N 2.65Å; N868-E870 VanDerWaalsContact O-N 3.14Å; E870-G891 VanDerWaalsContact O-CA 3.27Å; E870-G891 WeakPolarHBondContact O-CA 3.43Å
871A93.5Very high92.5Very high24 Ų2424.6 Ų24.620%0.19814%0.14CC..SBendtrans-118.598.4173.500000111.5D799 Q807 G891 K893D799-A871 HydrophobicContact CB-CB 4Å; D799-A871 WeakPolarHBondContact OD2-CB 3.49Å; D799-A871 PolarHBondContact OD2-N 2.8Å; D799-A871 VanDerWaalsContact OD2-N 3.12Å; Q807-A871 WeakPolarHBondContact CB-O 3.33Å; Q807-A871 PolarHBondContact NE2-O 3.05Å; Q807-A871 VanDerWaalsContact NE2-O 3.08Å; A871-G891 CarbonylContact C-O 3.53Å; A871-G891 VanDerWaalsContact CA-O 3.27Å; A871-G891 WeakPolarHBondContact CA-O 3.24Å; A871-K893 HydrophobicContact CB-CG 4.25Å; A871-K893 WeakPolarHBondContact O-CE 3.44Å
872A96.3Very high92.5Very high3 Ų319.9 Ų19.93%0.02512%0.118CC..EExtended strand (participates in β ladder)trans-91141.4-176.700000112.6K809 V869 V875 G891 K893K809-A872 HydrophobicContact CB-CB 4.37Å; V869-A872 HydrophobicContact CG1-CB 3.8Å; A872-V875 HydrophobicContact CB-CG2 4.05Å; A872-G891 PolarHBondContact N-O 2.8Å; A872-K893 WeakPolarHBondContact O-CG 3.41Å; A872-K893 PolarHBondContact O-N 2.98Å
873D97.2Very high92.5Very high38 Ų3816.4 Ų16.420%0.20310%0.095CC..EExtended strand (participates in β ladder)trans-83.5-28.8165.7-57.5-72000111.3F806 Q807 K893 G896 T897F806-D873 HydrophobicContact CD1-CB 4.49Å; F806-D873 HydrophobicContact CD2-CB 3.9Å; F806-D873 HydrophobicContact CE1-CB 4.26Å; F806-D873 HydrophobicContact CE2-CB 3.62Å; F806-D873 HydrophobicContact CG-CB 4.35Å; F806-D873 HydrophobicContact CZ-CB 3.83Å; Q807-D873 PolarHBondContact N-OD2 3.47Å; Q807-D873 PolarHBondContact O-N 3.38Å; D873-K893 WeakPolarHBondContact OD1-CD 3.22Å; D873-K893 WeakPolarHBondContact OD1-CE 3.46Å; D873-K893 IonicContact OD1-NZ 3.44Å; D873-K893 PolarHBondContact OD1-NZ 2.9Å; D873-K893 IonicContact OD2-NZ 2.75Å; D873-K893 PolarHBondContact OD2-NZ 3.19Å; D873-G896 WeakPolarHBondContact O-CA 3.42Å; D873-T897 PolarHBondContact O-N 3.16Å
874F97.7Very high92.3Very high1 Ų120.7 Ų20.70%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-136.3133.2-179.1-174.9-82.4000111.9F806 Q807 A808 K809 F810 T897 L899 F954 L957 T958F806-F874 HydrophobicContact CE1-CB 3.82Å; F806-F874 HydrophobicContact CZ-CB 3.79Å; Q807-F874 PolarHBondContact O-N 3.26Å; A808-F874 CarbonylContact C-O 3.59Å; A808-F874 VanDerWaalsContact CA-O 3.31Å; A808-F874 WeakPolarHBondContact CA-O 3.43Å; A808-F874 HydrophobicContact CB-CB 4.05Å; A808-F874 HydrophobicContact CB-CD1 4.39Å; K809-F874 PolarHBondContact N-O 2.96Å; F810-F874 HydrophobicContact CD1-CE1 4.32Å; F810-F874 HydrophobicContact CE1-CD1 4.03Å; F810-F874 AromaticContact CE1-CE1 3.6Å; F810-F874 HydrophobicContact CE1-CE1 3.6Å; F810-F874 HydrophobicContact CZ-CD1 4.05Å; F810-F874 HydrophobicContact CZ-CE1 4.05Å; F874-T897 CarbonylContact C-O 3.48Å; F874-T897 WeakPolarHBondContact CA-O 3.27Å; F874-T897 HydrophobicContact CD2-CG2 3.74Å; F874-T897 HydrophobicContact CE2-CG2 3.7Å; F874-L899 HydrophobicContact CE1-CB 4.39Å; F874-L899 HydrophobicContact CE2-CB 4.3Å; F874-L899 HydrophobicContact CZ-CB 3.66Å; F874-L899 HydrophobicContact CZ-CD2 4Å; F874-L899 HydrophobicContact CZ-CG 4.49Å; F874-F954 AromaticContact CD1-CD2 3.9Å; F874-F954 HydrophobicContact CD1-CD2 3.9Å; F874-F954 HydrophobicContact CD1-CE2 4.07Å; F874-F954 HydrophobicContact CD2-CD2 4.32Å; F874-F954 AromaticContact CE1-CD2 3.78Å; F874-F954 HydrophobicContact CE1-CD2 3.78Å; F874-F954 HydrophobicContact CE1-CE2 4.41Å; F874-F954 HydrophobicContact CE2-CD2 4.2Å; F874-F954 HydrophobicContact CG-CD2 4.19Å; F874-F954 HydrophobicContact CG-CE2 4.15Å; F874-F954 AromaticContact CZ-CD2 3.93Å; F874-F954 HydrophobicContact CZ-CD2 3.93Å; F874-L957 HydrophobicContact CE2-CB 3.93Å; F874-L957 HydrophobicContact CE2-CD1 3.9Å; F874-L957 HydrophobicContact CZ-CD1 4.3Å; F874-T958 HydrophobicContact CD2-CG2 3.93Å; F874-T958 HydrophobicContact CE2-CG2 4.36Å
875V97.8Very high92.1Very high1 Ų119.6 Ų19.61%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-121.5120.7170173.70000110.1K809 A872 L889 L892 T897 F898 L899K809-V875 HydrophobicContact CB-CG2 4.37Å; K809-V875 CarbonylContact O-C 3.55Å; K809-V875 VanDerWaalsContact O-CA 3.27Å; K809-V875 WeakPolarHBondContact O-CA 3.45Å; A872-V875 HydrophobicContact CB-CG2 4.05Å; V875-L889 HydrophobicContact CG1-CD2 4.41Å; V875-L892 HydrophobicContact CB-CD1 4.4Å; V875-L892 HydrophobicContact CG2-CB 4.18Å; V875-L892 HydrophobicContact CG2-CD1 3.89Å; V875-L892 HydrophobicContact CG2-CG 4.44Å; V875-T897 PolarHBondContact N-O 3.34Å; V875-F898 HydrophobicContact CB-CD2 4.12Å; V875-F898 HydrophobicContact CG1-CD2 3.88Å; V875-F898 HydrophobicContact CG1-CE2 4.08Å; V875-F898 WeakPolarHBondContact O-CA 3.3Å; V875-F898 WeakPolarHBondContact O-CD2 3.34Å; V875-L899 PolarHBondContact O-N 2.91Å
876G96.2Very high92Very high0 Ų020.3 Ų20.30%011%0.111CC..EExtended strand (participates in β ladder)trans-103.6128.4170.900000111.4K809 F810 W811 L899K809-G876 PolarHBondContact O-N 3.4Å; F810-G876 CarbonylContact C-O 3.33Å; F810-G876 WeakPolarHBondContact CA-O 3.45Å; W811-G876 PolarHBondContact N-O 2.97Å; G876-L899 CarbonylContact C-O 3.56Å; G876-L899 WeakPolarHBondContact CA-O 3.3Å
877C95.1Very high92.1Very high0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-116.3109.1171.7-178.40000110N879 L888 F898 L899 L900 N901C877-N879 PolarHBondContact SG-O 3.21Å; C877-L888 HydrophobicContact CB-CD1 4.04Å; C877-L888 VanDerWaalsContact SG-CD1 3.6Å; C877-F898 HydrophobicContact CB-CE2 3.79Å; C877-F898 HydrophobicContact CB-CZ 4.11Å; C877-L899 PolarHBondContact N-O 2.88Å; C877-L900 HydrophobicContact CB-CD1 3.86Å; C877-N901 PolarHBondContact O-N 3.36Å
878H91.8Very high92.2Very high6 Ų622.7 Ų22.73%0.02812%0.123CC..  trans-90.2-4.4-171.1-67.5-158.9000113.1F810 W811 T818 N901 I946 M950F810-H878 AromaticContact CD1-NE2 3.71Å; W811-H878 PolarHBondContact O-N 3.42Å; T818-H878 WeakPolarHBondContact CB-ND1 3.39Å; T818-H878 HydrophobicContact CG2-CB 4.49Å; T818-H878 WeakPolarHBondContact CG2-ND1 2.94Å; T818-H878 WeakPolarHBondContact OG1-CB 3.01Å; T818-H878 PolarHBondContact OG1-ND1 3.35Å; H878-N901 PolarHBondContact O-ND2 2.81Å; H878-I946 HydrophobicContact CB-CD1 4.28Å; H878-M950 WeakPolarHBondContact CD2-CE 3.39Å; H878-M950 WeakPolarHBondContact CE1-CB 3.48Å; H878-M950 WeakPolarHBondContact NE2-CE 3.41Å
879N88.5Confident92.3Very high19 Ų1920.6 Ų20.610%0.10211%0.111CC..  trans-135.2115.5176.9-171.2-32.9000111C877 A881 Y882C877-N879 PolarHBondContact SG-O 3.21Å; N879-A881 PolarHBondContact O-N 3.04Å; N879-A881 VanDerWaalsContact OD1-CB 3.31Å; N879-A881 WeakPolarHBondContact OD1-CB 3.36Å; N879-A881 PolarHBondContact OD1-N 3.22Å; N879-Y882 HydrophobicContact CB-CD1 4.3Å; N879-Y882 HydrophobicContact CB-CD2 4.02Å; N879-Y882 HydrophobicContact CB-CE1 4.28Å; N879-Y882 HydrophobicContact CB-CE2 4Å; N879-Y882 HydrophobicContact CB-CG 4.19Å; N879-Y882 VanDerWaalsContact O-CB 3.29Å; N879-Y882 WeakPolarHBondContact O-CB 3.48Å; N879-Y882 PolarHBondContact O-N 3.5Å; N879-Y882 VanDerWaalsContact O-N 3.13Å
880S88.8Confident92.1Very high25 Ų2525.9 Ų25.918%0.17513%0.134CC..G310 helixtrans-63.2-23.2-176.9600000114.4Y882 I883S880-Y882 PolarHBondContact O-N 3.36Å; S880-Y882 VanDerWaalsContact O-N 3.13Å; S880-I883 VanDerWaalsContact O-CG1 3.23Å; S880-I883 WeakPolarHBondContact O-CG1 3.31Å; S880-I883 WeakPolarHBondContact O-CG2 3.21Å; S880-I883 PolarHBondContact O-N 3.05Å
881A86.9Confident92.1Very high24 Ų2424.6 Ų24.620%0.19814%0.136CC..G310 helixtrans-60-25.717600000112.5N879 I883 H884N879-A881 PolarHBondContact O-N 3.04Å; N879-A881 VanDerWaalsContact OD1-CB 3.31Å; N879-A881 WeakPolarHBondContact OD1-CB 3.36Å; N879-A881 PolarHBondContact OD1-N 3.22Å; A881-I883 VanDerWaalsContact C-N 3.25Å; A881-I883 PolarHBondContact O-N 3.36Å; A881-H884 PolarHBondContact O-N 3.04Å
882Y90.7Very high92.2Very high0 Ų023.6 Ų23.60%013%0.127CC..G310 helixtrans-70.3-19.3-176-68.8-1.4000113.6W811 G812 L813 L851 N879 S880 H884 Q885 Y886 I1071W811-Y882 HydrophobicContact CB-CD2 4.23Å; G812-Y882 PolarHBondContact O-OH 3.39Å; L813-Y882 WeakPolarHBondContact CD1-OH 3.38Å; L851-Y882 HydrophobicContact CD1-CD2 4.22Å; L851-Y882 HydrophobicContact CD1-CE2 3.53Å; N879-Y882 HydrophobicContact CB-CD1 4.3Å; N879-Y882 HydrophobicContact CB-CD2 4.02Å; N879-Y882 HydrophobicContact CB-CE1 4.28Å; N879-Y882 HydrophobicContact CB-CE2 4Å; N879-Y882 HydrophobicContact CB-CG 4.19Å; N879-Y882 VanDerWaalsContact O-CB 3.29Å; N879-Y882 WeakPolarHBondContact O-CB 3.48Å; N879-Y882 PolarHBondContact O-N 3.5Å; N879-Y882 VanDerWaalsContact O-N 3.13Å; S880-Y882 PolarHBondContact O-N 3.36Å; S880-Y882 VanDerWaalsContact O-N 3.13Å; Y882-H884 PolarHBondContact O-N 3.1Å; Y882-H884 VanDerWaalsContact O-N 3.15Å; Y882-Q885 PolarHBondContact O-N 3.37Å; Y882-Y886 AromaticContact CD1-CD2 3.99Å; Y882-Y886 HydrophobicContact CD1-CD2 3.99Å; Y882-Y886 AromaticContact CD1-CE2 3.52Å; Y882-Y886 HydrophobicContact CD1-CE2 3.52Å; Y882-Y886 HydrophobicContact CD2-CD2 4.26Å; Y882-Y886 HydrophobicContact CD2-CE2 4.24Å; Y882-Y886 AromaticContact CE1-CE2 3.85Å; Y882-Y886 HydrophobicContact CE1-CE2 3.85Å; Y882-Y886 AromaticContact CG-CD2 3.75Å; Y882-Y886 HydrophobicContact CG-CD2 3.75Å; Y882-Y886 AromaticContact CG-CE2 3.73Å; Y882-Y886 HydrophobicContact CG-CE2 3.73Å; Y882-Y886 PolarHBondContact O-N 2.93Å; Y882-I1071 HydrophobicContact CE1-CG2 4.39Å
883I90.6Very high92.2Very high0 Ų026.4 Ų26.40%014%0.139CC..G310 helixtrans-62.5-22176.476-171.9000112.3S880 A881 L888 L900 W904 L913 P914 R916 L917S880-I883 VanDerWaalsContact O-CG1 3.23Å; S880-I883 WeakPolarHBondContact O-CG1 3.31Å; S880-I883 WeakPolarHBondContact O-CG2 3.21Å; S880-I883 PolarHBondContact O-N 3.05Å; A881-I883 VanDerWaalsContact C-N 3.25Å; A881-I883 PolarHBondContact O-N 3.36Å; I883-L888 HydrophobicContact CB-CD1 4.42Å; I883-L888 HydrophobicContact CG2-CD1 3.91Å; I883-L900 HydrophobicContact CG2-CD1 3.86Å; I883-L900 HydrophobicContact CG2-CD2 4.24Å; I883-W904 HydrophobicContact CD1-CH2 3.68Å; I883-W904 HydrophobicContact CD1-CZ3 3.5Å; I883-L913 HydrophobicContact CD1-CD1 4.46Å; I883-P914 HydrophobicContact CG1-CG 4.35Å; I883-P914 WeakPolarHBondContact O-CG 3.47Å; I883-R916 PolarHBondContact O-NH2 3.14Å; I883-L917 HydrophobicContact CB-CD1 3.86Å; I883-L917 HydrophobicContact CG2-CD1 4.25Å
884H86.9Confident92.1Very high102 Ų10230.4 Ų30.447%0.47216%0.16SC..G310 helixtrans-101.3-8.4176.8-60.4-68.4000113.3A881 Y882 P914A881-H884 PolarHBondContact O-N 3.04Å; Y882-H884 PolarHBondContact O-N 3.1Å; Y882-H884 VanDerWaalsContact O-N 3.15Å; H884-P914 WeakPolarHBondContact ND1-CG 3.32Å
885Q85.6Confident92Very high45 Ų4532.1 Ų32.121%0.2118%0.178CC..THydrogen-bonded Turntrans-107.5-36.8-171.6-62.7-178.317.400112.9Y882 R1069Y882-Q885 PolarHBondContact O-N 3.37Å; Q885-R1069 PolarHBondContact NE2-O 3.23Å
886Y90Very high91.9Very high16 Ų1632.4 Ų32.46%0.06318%0.181CC..SBendtrans-129.3154.2-169.9-52-70.1000112.4W811 L851 Y882 L888 R916 N1037 Q1039W811-Y886 HydrophobicContact CE3-CG 4.46Å; W811-Y886 HydrophobicContact CZ3-CD1 4.36Å; W811-Y886 HydrophobicContact CZ3-CD2 4.49Å; W811-Y886 HydrophobicContact CZ3-CG 4.01Å; L851-Y886 HydrophobicContact CD1-CE2 4.12Å; L851-Y886 HydrophobicContact CD2-CE1 4Å; Y882-Y886 AromaticContact CD1-CD2 3.99Å; Y882-Y886 HydrophobicContact CD1-CD2 3.99Å; Y882-Y886 AromaticContact CD1-CE2 3.52Å; Y882-Y886 HydrophobicContact CD1-CE2 3.52Å; Y882-Y886 HydrophobicContact CD2-CD2 4.26Å; Y882-Y886 HydrophobicContact CD2-CE2 4.24Å; Y882-Y886 AromaticContact CE1-CE2 3.85Å; Y882-Y886 HydrophobicContact CE1-CE2 3.85Å; Y882-Y886 AromaticContact CG-CD2 3.75Å; Y882-Y886 HydrophobicContact CG-CD2 3.75Å; Y882-Y886 AromaticContact CG-CE2 3.73Å; Y882-Y886 HydrophobicContact CG-CE2 3.73Å; Y882-Y886 PolarHBondContact O-N 2.93Å; Y886-L888 VanDerWaalsContact C-N 3.33Å; Y886-L888 PolarHBondContact O-N 2.93Å; Y886-R916 PolarHBondContact O-NH2 2.9Å; Y886-N1037 VanDerWaalsContact CE1-O 3.28Å; Y886-N1037 WeakPolarHBondContact CE1-O 3.18Å; Y886-Q1039 HydrophobicContact CD1-CG 3.96Å; Y886-Q1039 HydrophobicContact CE1-CG 3.89Å
887D89.8Confident92Very high72 Ų7233.5 Ų33.539%0.38519%0.188SC..  trans-81.279.6170.4-162.710.6000111.9L889 K890 R916 L1017D887-L889 PolarHBondContact O-N 2.93Å; D887-K890 HydrophobicContact CB-CB 4.42Å; D887-R916 IonicContact OD1-NH1 3.93Å; D887-R916 PolarHBondContact OD1-NH1 3.49Å; D887-L1017 HydrophobicContact CB-CD1 3.82Å
888L93Very high92.1Very high0 Ų033.5 Ų33.50%019%0.188CC..THydrogen-bonded Turntrans-63.2-37.1-170.4-62.4176.4000114.3W811 C877 I883 Y886 F898W811-L888 HydrophobicContact CB-CD2 4.12Å; W811-L888 HydrophobicContact CD2-CD2 3.56Å; W811-L888 HydrophobicContact CE3-CD2 3.99Å; W811-L888 HydrophobicContact CG-CD2 3.6Å; W811-L888 HydrophobicContact CZ2-CD2 4.45Å; W811-L888 PolarHBondContact NE1-O 3.2Å; C877-L888 HydrophobicContact CB-CD1 4.04Å; C877-L888 VanDerWaalsContact SG-CD1 3.6Å; I883-L888 HydrophobicContact CB-CD1 4.42Å; I883-L888 HydrophobicContact CG2-CD1 3.91Å; Y886-L888 VanDerWaalsContact C-N 3.33Å; Y886-L888 PolarHBondContact O-N 2.93Å; L888-F898 HydrophobicContact CD1-CZ 4.27Å
889L94.4Very high92.4Very high0 Ų033.2 Ų33.20%019%0.187CC..THydrogen-bonded Turntrans-95.20.6-170.7-55.5-177.5000113.2V875 D887 G891 L892 F898 L917 Y920 L921V875-L889 HydrophobicContact CG1-CD2 4.41Å; D887-L889 PolarHBondContact O-N 2.93Å; L889-G891 PolarHBondContact O-N 2.98Å; L889-L892 HydrophobicContact CD2-CD2 3.98Å; L889-L892 WeakPolarHBondContact O-CB 3.28Å; L889-L892 PolarHBondContact O-N 3.38Å; L889-F898 HydrophobicContact CD2-CB 4Å; L889-F898 HydrophobicContact CD2-CD1 3.91Å; L889-F898 HydrophobicContact CD2-CD2 3.41Å; L889-F898 VanDerWaalsContact CD2-CD2 3.41Å; L889-F898 HydrophobicContact CD2-CE1 4.22Å; L889-F898 HydrophobicContact CD2-CE2 3.77Å; L889-F898 HydrophobicContact CD2-CG 3.5Å; L889-F898 HydrophobicContact CD2-CZ 4.16Å; L889-L917 HydrophobicContact CB-CD2 4.42Å; L889-L917 HydrophobicContact CD1-CD2 3.65Å; L889-L917 HydrophobicContact CG-CD2 3.72Å; L889-Y920 HydrophobicContact CB-CD1 3.7Å; L889-Y920 HydrophobicContact CB-CE1 3.84Å; L889-Y920 HydrophobicContact CB-CG 4.13Å; L889-Y920 HydrophobicContact CD1-CD1 3.79Å; L889-Y920 HydrophobicContact CD1-CG 4.25Å; L889-Y920 HydrophobicContact CG-CD1 4.39Å; L889-Y920 VanDerWaalsContact O-CZ 3.23Å; L889-Y920 PolarHBondContact O-OH 3.44Å; L889-L921 HydrophobicContact CD1-CD2 3.66Å; L889-L921 HydrophobicContact CD1-CG 3.91Å
890K90.7Very high92.8Very high113 Ų11332.3 Ų32.349%0.49118%0.182SC..THydrogen-bonded Turntrans-54.2117.2176.6-176.9-179.8176.2-1760110D887D887-K890 HydrophobicContact CB-CB 4.42Å
891G91.9Very high93.1Very high28 Ų2831.8 Ų31.829%0.28918%0.177SC..THydrogen-bonded Turntrans855.8179.200000115E870 A871 A872 L889 K893E870-G891 VanDerWaalsContact O-CA 3.27Å; E870-G891 WeakPolarHBondContact O-CA 3.43Å; A871-G891 CarbonylContact C-O 3.53Å; A871-G891 VanDerWaalsContact CA-O 3.27Å; A871-G891 WeakPolarHBondContact CA-O 3.24Å; A872-G891 PolarHBondContact N-O 2.8Å; L889-G891 PolarHBondContact O-N 2.98Å; G891-K893 PolarHBondContact O-N 3.2Å
892L97Very high93.4Very high2 Ų230.8 Ų30.81%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-70.2121.5170.4179.766.7000109V875 L889 F898 Y920 I926V875-L892 HydrophobicContact CB-CD1 4.4Å; V875-L892 HydrophobicContact CG2-CB 4.18Å; V875-L892 HydrophobicContact CG2-CD1 3.89Å; V875-L892 HydrophobicContact CG2-CG 4.44Å; L889-L892 HydrophobicContact CD2-CD2 3.98Å; L889-L892 WeakPolarHBondContact O-CB 3.28Å; L889-L892 PolarHBondContact O-N 3.38Å; L892-F898 HydrophobicContact CD2-CB 4.2Å; L892-Y920 HydrophobicContact CB-CE1 4.14Å; L892-Y920 PolarHBondContact N-OH 2.91Å; L892-Y920 PolarHBondContact O-OH 3.04Å; L892-I926 HydrophobicContact CD2-CB 4.42Å; L892-I926 HydrophobicContact CD2-CD1 3.6Å; L892-I926 HydrophobicContact CD2-CG1 3.92Å; L892-I926 HydrophobicContact CD2-CG2 3.61Å; L892-I926 HydrophobicContact CG-CD1 3.79Å
893K95.5Very high93.4Very high63 Ų6334.8 Ų34.827%0.27419%0.193SC..EExtended strand (participates in β ladder)trans-62.9154.5-177.9-63.8174.5-163.9166.60111.7A871 A872 D873 G891 G895 G896 I926A871-K893 HydrophobicContact CB-CG 4.25Å; A871-K893 WeakPolarHBondContact O-CE 3.44Å; A872-K893 WeakPolarHBondContact O-CG 3.41Å; A872-K893 PolarHBondContact O-N 2.98Å; D873-K893 WeakPolarHBondContact OD1-CD 3.22Å; D873-K893 WeakPolarHBondContact OD1-CE 3.46Å; D873-K893 IonicContact OD1-NZ 3.44Å; D873-K893 PolarHBondContact OD1-NZ 2.9Å; D873-K893 IonicContact OD2-NZ 2.75Å; D873-K893 PolarHBondContact OD2-NZ 3.19Å; G891-K893 PolarHBondContact O-N 3.2Å; K893-G895 PolarHBondContact O-N 2.9Å; K893-G896 PolarHBondContact O-N 3.37Å; K893-I926 VanDerWaalsContact O-CD1 3.3Å; K893-I926 WeakPolarHBondContact O-CD1 3.48Å
894D95.8Very high93.4Very high121 Ų12137.1 Ų37.165%0.64720%0.201SC*.EExtended strand (participates in β ladder)trans-54.2131.2171.4-67.80.2000110.8G896 H924D894-G896 PolarHBondContact O-N 3.26Å; D894-H924 CarbonylContact C-O 3.48Å; D894-H924 WeakPolarHBondContact CA-O 3.48Å; D894-H924 IonicContact OD1-CE1 3.04Å; D894-H924 IonicContact OD1-CG 3.73Å; D894-H924 IonicContact OD1-ND1 2.93Å; D894-H924 PolarHBondContact OD1-ND1 3.31Å
895G95Very high93.7Very high38 Ų3837 Ų3739%0.39221%0.205SC..EExtended strand (participates in β ladder)trans73.61.5-176.200000115.3K893 H924 K925 N927K893-G895 PolarHBondContact O-N 2.9Å; G895-H924 PolarHBondContact N-O 3.2Å; G895-K925 WeakPolarHBondContact CA-O 3.28Å; G895-N927 PolarHBondContact O-ND2 2.88Å
896G96.1Very high94Very high7 Ų736.8 Ų36.87%0.07220%0.203CC..EExtended strand (participates in β ladder)trans-63.9176.9175.100000113.1D873 K893 D894 I926 N927D873-G896 WeakPolarHBondContact O-CA 3.42Å; K893-G896 PolarHBondContact O-N 3.37Å; D894-G896 PolarHBondContact O-N 3.26Å; G896-I926 WeakPolarHBondContact O-CG2 3.48Å; G896-N927 PolarHBondContact O-N 2.89Å
897T98Very high94.2Very high22 Ų2241.9 Ų41.914%0.13523%0.228CC..EExtended strand (participates in β ladder)trans-112.1133.7-176.5-63.10000112D873 F874 V875 N927 Y929 L957D873-T897 PolarHBondContact O-N 3.16Å; F874-T897 CarbonylContact C-O 3.48Å; F874-T897 WeakPolarHBondContact CA-O 3.27Å; F874-T897 HydrophobicContact CD2-CG2 3.74Å; F874-T897 HydrophobicContact CE2-CG2 3.7Å; V875-T897 PolarHBondContact N-O 3.34Å; T897-N927 CarbonylContact C-O 3.59Å; T897-N927 WeakPolarHBondContact CA-O 3.45Å; T897-Y929 HydrophobicContact CG2-CD2 3.79Å; T897-Y929 HydrophobicContact CG2-CE2 3.97Å; T897-L957 HydrophobicContact CG2-CB 4.49Å; T897-L957 HydrophobicContact CG2-CD1 4.15Å
898F98Very high94.3Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-116.4120.2171.3178.3-132.2000110.6V875 C877 L888 L889 L892 L900 L921 I926 N927 F928 Y929V875-F898 HydrophobicContact CB-CD2 4.12Å; V875-F898 HydrophobicContact CG1-CD2 3.88Å; V875-F898 HydrophobicContact CG1-CE2 4.08Å; V875-F898 WeakPolarHBondContact O-CA 3.3Å; V875-F898 WeakPolarHBondContact O-CD2 3.34Å; C877-F898 HydrophobicContact CB-CE2 3.79Å; C877-F898 HydrophobicContact CB-CZ 4.11Å; L888-F898 HydrophobicContact CD1-CZ 4.27Å; L889-F898 HydrophobicContact CD2-CB 4Å; L889-F898 HydrophobicContact CD2-CD1 3.91Å; L889-F898 HydrophobicContact CD2-CD2 3.41Å; L889-F898 VanDerWaalsContact CD2-CD2 3.41Å; L889-F898 HydrophobicContact CD2-CE1 4.22Å; L889-F898 HydrophobicContact CD2-CE2 3.77Å; L889-F898 HydrophobicContact CD2-CG 3.5Å; L889-F898 HydrophobicContact CD2-CZ 4.16Å; L892-F898 HydrophobicContact CD2-CB 4.2Å; F898-L900 HydrophobicContact CE1-CB 4.13Å; F898-L900 HydrophobicContact CZ-CB 4.07Å; F898-L900 HydrophobicContact CZ-CD1 4.27Å; F898-L921 HydrophobicContact CB-CD2 4.28Å; F898-L921 HydrophobicContact CD1-CD2 4.06Å; F898-I926 HydrophobicContact CB-CG2 3.78Å; F898-N927 PolarHBondContact N-O 3.17Å; F898-F928 HydrophobicContact CB-CD2 4.34Å; F898-F928 AromaticContact CD1-CD2 3.38Å; F898-F928 HydrophobicContact CD1-CD2 3.38Å; F898-F928 AromaticContact CD1-CE2 3.43Å; F898-F928 HydrophobicContact CD1-CE2 3.43Å; F898-F928 VanDerWaalsContact CD1-CE2 3.43Å; F898-F928 HydrophobicContact CD1-CG 4.39Å; F898-F928 HydrophobicContact CD1-CZ 4.45Å; F898-F928 HydrophobicContact CE1-CD2 4.05Å; F898-F928 AromaticContact CE1-CE2 3.59Å; F898-F928 HydrophobicContact CE1-CE2 3.59Å; F898-F928 HydrophobicContact CE1-CZ 4.35Å; F898-F928 HydrophobicContact CG-CD2 4.19Å; F898-F928 HydrophobicContact CG-CE2 4.46Å; F898-Y929 PolarHBondContact O-N 2.7Å
899L97.2Very high94.3Very high1 Ų143 Ų431%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-108.8121.3174.5174.562.4000110.3F874 V875 G876 C877 Y929 I931 M950 A953 L957 L1000F874-L899 HydrophobicContact CE1-CB 4.39Å; F874-L899 HydrophobicContact CE2-CB 4.3Å; F874-L899 HydrophobicContact CZ-CB 3.66Å; F874-L899 HydrophobicContact CZ-CD2 4Å; F874-L899 HydrophobicContact CZ-CG 4.49Å; V875-L899 PolarHBondContact O-N 2.91Å; G876-L899 CarbonylContact C-O 3.56Å; G876-L899 WeakPolarHBondContact CA-O 3.3Å; C877-L899 PolarHBondContact N-O 2.88Å; L899-Y929 WeakPolarHBondContact CA-O 3.19Å; L899-I931 HydrophobicContact CD1-CB 4.42Å; L899-I931 HydrophobicContact CD1-CG2 3.94Å; L899-M950 HydrophobicContact CD2-CE 3.7Å; L899-M950 HydrophobicContact CG-CE 4.12Å; L899-A953 HydrophobicContact CD2-CB 3.66Å; L899-L957 HydrophobicContact CB-CD1 3.97Å; L899-L957 HydrophobicContact CD1-CD1 3.98Å; L899-L957 HydrophobicContact CD2-CD1 4.08Å; L899-L957 HydrophobicContact CG-CD1 4.21Å; L899-L1000 HydrophobicContact CD1-CD1 3.88Å
900L96.6Very high94.1Very high0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-112.6119.1176.6179.365.3000111.5C877 I883 F898 T902 F928 Y929 I930 I931C877-L900 HydrophobicContact CB-CD1 3.86Å; I883-L900 HydrophobicContact CG2-CD1 3.86Å; I883-L900 HydrophobicContact CG2-CD2 4.24Å; F898-L900 HydrophobicContact CE1-CB 4.13Å; F898-L900 HydrophobicContact CZ-CB 4.07Å; F898-L900 HydrophobicContact CZ-CD1 4.27Å; L900-T902 HydrophobicContact CD2-CG2 4.45Å; L900-T902 HydrophobicContact CG-CG2 4.41Å; L900-T902 PolarHBondContact O-N 2.94Å; L900-F928 HydrophobicContact CB-CE2 3.88Å; L900-F928 HydrophobicContact CB-CZ 4.43Å; L900-F928 HydrophobicContact CD2-CE2 4.43Å; L900-F928 HydrophobicContact CD2-CZ 4.22Å; L900-Y929 PolarHBondContact N-O 3.18Å; L900-I930 HydrophobicContact CB-CG2 4.36Å; L900-I930 WeakPolarHBondContact O-CA 3.41Å; L900-I931 PolarHBondContact O-N 2.9Å; L900-I931 VanDerWaalsContact O-N 3.1Å
901N94.6Very high94.1Very high14 Ų1447.3 Ų47.38%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-77.8118.3167.2-178.331.5000109.9C877 H878 I931 A933 I946 M950C877-N901 PolarHBondContact O-N 3.36Å; H878-N901 PolarHBondContact O-ND2 2.81Å; N901-I931 CarbonylContact C-O 3.53Å; N901-I931 VanDerWaalsContact CA-O 3.3Å; N901-I931 WeakPolarHBondContact CA-O 3.44Å; N901-I931 PolarHBondContact OD1-O 2.76Å; N901-A933 VanDerWaalsContact OD1-CB 3.28Å; N901-A933 WeakPolarHBondContact OD1-CB 3.31Å; N901-A933 PolarHBondContact OD1-N 3.48Å; N901-I946 WeakPolarHBondContact ND2-CD1 3.47Å; N901-M950 HydrophobicContact CB-CE 3.98Å; N901-M950 HydrophobicContact CB-SD 3.95Å
902T93.2Very high94.1Very high3 Ų349 Ų492%0.01825%0.253CS..  trans-152.4149.1-178.4-174.80000111.9L900 W904 V909 I930 I931 N932L900-T902 HydrophobicContact CD2-CG2 4.45Å; L900-T902 HydrophobicContact CG-CG2 4.41Å; L900-T902 PolarHBondContact O-N 2.94Å; T902-W904 HydrophobicContact CG2-CB 4.3Å; T902-W904 WeakPolarHBondContact OG1-CB 3.34Å; T902-W904 VanDerWaalsContact OG1-CD2 3.26Å; T902-W904 PolarHBondContact OG1-N 2.71Å; T902-V909 HydrophobicContact CG2-CG2 3.82Å; T902-I930 HydrophobicContact CG2-CB 4.21Å; T902-I930 HydrophobicContact CG2-CG2 4.39Å; T902-I931 PolarHBondContact N-O 2.88Å; T902-N932 VanDerWaalsContact O-CA 3.23Å; T902-N932 WeakPolarHBondContact O-CA 3.28Å; T902-N932 VanDerWaalsContact O-CB 3.27Å; T902-N932 WeakPolarHBondContact O-CB 3.3Å
903V90.9Very high93.9Very high84 Ų8449.1 Ų49.151%0.50925%0.253SS..SBendtrans-81.5-4.4172-60.90000113M934V903-M934 HydrophobicContact CG1-CB 4.36Å
904W91.9Very high93.7Very high48 Ų4847.2 Ų47.218%0.18225%0.247CC..  trans-82.4145.5-177.8-55.6-22.5000111.5I883 T902 K908 V909 L912I883-W904 HydrophobicContact CD1-CH2 3.68Å; I883-W904 HydrophobicContact CD1-CZ3 3.5Å; T902-W904 HydrophobicContact CG2-CB 4.3Å; T902-W904 WeakPolarHBondContact OG1-CB 3.34Å; T902-W904 VanDerWaalsContact OG1-CD2 3.26Å; T902-W904 PolarHBondContact OG1-N 2.71Å; W904-K908 HydrophobicContact CB-CB 4.02Å; W904-K908 HydrophobicContact CB-CD 4.14Å; W904-K908 HydrophobicContact CB-CG 3.97Å; W904-K908 HydrophobicContact CD2-CG 4.43Å; W904-K908 HydrophobicContact CG-CB 4.47Å; W904-K908 HydrophobicContact CG-CD 3.9Å; W904-K908 HydrophobicContact CG-CG 3.88Å; W904-V909 HydrophobicContact CB-CG2 3.8Å; W904-V909 HydrophobicContact CE3-CG2 4.23Å; W904-L912 HydrophobicContact CD2-CD1 3.92Å; W904-L912 HydrophobicContact CE3-CB 4.27Å; W904-L912 HydrophobicContact CE3-CD1 4.15Å; W904-L912 HydrophobicContact CH2-CB 4.26Å; W904-L912 HydrophobicContact CH2-CD1 4.08Å; W904-L912 HydrophobicContact CZ2-CD1 3.83Å; W904-L912 HydrophobicContact CZ3-CB 3.95Å; W904-L912 HydrophobicContact CZ3-CD1 4.22Å
905D92.2Very high93.5Very high101 Ų10144.7 Ų44.754%0.5423%0.233SC..  trans-77.1174.3166.662.113000111.2E907 K908 V909D905-E907 VanDerWaalsContact C-N 3.33Å; D905-E907 PolarHBondContact O-N 3.35Å; D905-K908 PolarHBondContact O-N 2.69Å; D905-K908 WeakPolarHBondContact OD1-CB 3.37Å; D905-K908 PolarHBondContact OD1-N 3.1Å; D905-V909 VanDerWaalsContact O-CG2 3.29Å; D905-V909 WeakPolarHBondContact O-CG2 3.41Å; D905-V909 PolarHBondContact O-N 3.25Å
906E93Very high93.3Very high39 Ų3944.5 Ų44.518%0.18222%0.221CC..Hα-helixtrans-56.1-44.9-177.2169.9174-171.200112.9K908 V909 K910 K1001 I1003E906-K908 PolarHBondContact O-N 2.81Å; E906-V909 PolarHBondContact O-N 3.03Å; E906-K910 HydrophobicContact CG-CD 4.2Å; E906-K910 WeakPolarHBondContact O-CG 3.43Å; E906-K910 PolarHBondContact O-N 2.93Å; E906-K910 WeakPolarHBondContact OE1-CE 3.19Å; E906-K910 IonicContact OE1-NZ 3.59Å; E906-K910 PolarHBondContact OE1-NZ 3.23Å; E906-K1001 WeakPolarHBondContact OE2-CE 3.24Å; E906-K1001 IonicContact OE2-NZ 3.82Å; E906-K1001 PolarHBondContact OE2-NZ 3.33Å; E906-I1003 HydrophobicContact CB-CD1 3.84Å; E906-I1003 HydrophobicContact CG-CD1 3.7Å
907E92.8Very high93.1Very high124 Ų12444.2 Ų44.258%0.57922%0.218SC*.Hα-helixtrans-64.4-43.8-178.2-66.1-55.8115.500111.1D905 K910 Q911D905-E907 VanDerWaalsContact C-N 3.33Å; D905-E907 PolarHBondContact O-N 3.35Å; E907-K910 PolarHBondContact O-N 3.15Å; E907-K910 IonicContact OE1-NZ 3.42Å; E907-Q911 PolarHBondContact O-N 3.19Å
908K92.5Very high92.9Very high95 Ų9544.2 Ų44.241%0.41322%0.216SC..Hα-helixtrans-69.2-33.7177.1-172.6169.1-175.8174.50112.5W904 D905 E906 Q911 L912W904-K908 HydrophobicContact CB-CB 4.02Å; W904-K908 HydrophobicContact CB-CD 4.14Å; W904-K908 HydrophobicContact CB-CG 3.97Å; W904-K908 HydrophobicContact CD2-CG 4.43Å; W904-K908 HydrophobicContact CG-CB 4.47Å; W904-K908 HydrophobicContact CG-CD 3.9Å; W904-K908 HydrophobicContact CG-CG 3.88Å; D905-K908 PolarHBondContact O-N 2.69Å; D905-K908 WeakPolarHBondContact OD1-CB 3.37Å; D905-K908 PolarHBondContact OD1-N 3.1Å; E906-K908 PolarHBondContact O-N 2.81Å; K908-Q911 PolarHBondContact O-N 2.96Å; K908-L912 HydrophobicContact CD-CD1 4.3Å; K908-L912 HydrophobicContact CG-CD1 3.65Å; K908-L912 HydrophobicContact CG-CG 4.17Å; K908-L912 WeakPolarHBondContact O-CB 3.37Å; K908-L912 WeakPolarHBondContact O-CG 3.4Å; K908-L912 PolarHBondContact O-N 3.47Å
909V92.5Very high92.7Very high1 Ų148.9 Ų48.91%0.00623%0.234CC..Hα-helixtrans-62.1-50170.9169.50000110.4T902 W904 D905 E906 Q911 L912 L913 F928 I930T902-V909 HydrophobicContact CG2-CG2 3.82Å; W904-V909 HydrophobicContact CB-CG2 3.8Å; W904-V909 HydrophobicContact CE3-CG2 4.23Å; D905-V909 VanDerWaalsContact O-CG2 3.29Å; D905-V909 WeakPolarHBondContact O-CG2 3.41Å; D905-V909 PolarHBondContact O-N 3.25Å; E906-V909 PolarHBondContact O-N 3.03Å; V909-Q911 PolarHBondContact O-N 2.98Å; V909-L912 PolarHBondContact O-N 3.37Å; V909-L913 WeakPolarHBondContact O-CB 3.48Å; V909-L913 PolarHBondContact O-N 3.26Å; V909-F928 HydrophobicContact CG1-CE1 3.78Å; V909-F928 HydrophobicContact CG1-CZ 3.81Å; V909-I930 HydrophobicContact CG1-CG2 4.32Å; V909-I930 HydrophobicContact CG2-CD1 4.05Å; V909-I930 HydrophobicContact CG2-CG2 4.3Å
910K91.5Very high92.5Very high53 Ų5351.3 Ų51.323%0.2324%0.243CC..Hα-helixtrans-58.7-35.3177.6-70.4175.8-177164.40111.8E906 E907 K918 W1009E906-K910 HydrophobicContact CG-CD 4.2Å; E906-K910 WeakPolarHBondContact O-CG 3.43Å; E906-K910 PolarHBondContact O-N 2.93Å; E906-K910 WeakPolarHBondContact OE1-CE 3.19Å; E906-K910 IonicContact OE1-NZ 3.59Å; E906-K910 PolarHBondContact OE1-NZ 3.23Å; E907-K910 PolarHBondContact O-N 3.15Å; E907-K910 IonicContact OE1-NZ 3.42Å; K910-K918 WeakPolarHBondContact O-CE 3.42Å; K910-K918 PolarHBondContact O-NZ 3.42Å; K910-W1009 HydrophobicContact CB-CZ2 4.16Å; K910-W1009 HydrophobicContact CG-CH2 4.35Å; K910-W1009 HydrophobicContact CG-CZ2 3.92Å
911Q90.5Very high92.5Very high150 Ų15051.3 Ų51.370%0.70124%0.243SC*.Hα-helixtrans-72.1-50.4177.2-170.2-177.99.800112.9E907 K908 V909E907-Q911 PolarHBondContact O-N 3.19Å; K908-Q911 PolarHBondContact O-N 2.96Å; V909-Q911 PolarHBondContact O-N 2.98Å
912L90.6Very high92.5Very high64 Ų6451.6 Ų51.634%0.33525%0.248SC..Hα-helixtrans-87.8-18.5-168.7-64.1-179.9000114.5W904 K908 V909 P914W904-L912 HydrophobicContact CD2-CD1 3.92Å; W904-L912 HydrophobicContact CE3-CB 4.27Å; W904-L912 HydrophobicContact CE3-CD1 4.15Å; W904-L912 HydrophobicContact CH2-CB 4.26Å; W904-L912 HydrophobicContact CH2-CD1 4.08Å; W904-L912 HydrophobicContact CZ2-CD1 3.83Å; W904-L912 HydrophobicContact CZ3-CB 3.95Å; W904-L912 HydrophobicContact CZ3-CD1 4.22Å; K908-L912 HydrophobicContact CD-CD1 4.3Å; K908-L912 HydrophobicContact CG-CD1 3.65Å; K908-L912 HydrophobicContact CG-CG 4.17Å; K908-L912 WeakPolarHBondContact O-CB 3.37Å; K908-L912 WeakPolarHBondContact O-CG 3.4Å; K908-L912 PolarHBondContact O-N 3.47Å; V909-L912 PolarHBondContact O-N 3.37Å; L912-P914 WeakPolarHBondContact O-CD 3.33Å
913L92.8Very high92.5Very high4 Ų455.3 Ų55.32%0.02127%0.267CS..SBendtrans-61.3125.9179.2-167.172.6000110.1I883 V909 L917 K918 L921 F928 W1009I883-L913 HydrophobicContact CD1-CD1 4.46Å; V909-L913 WeakPolarHBondContact O-CB 3.48Å; V909-L913 PolarHBondContact O-N 3.26Å; L913-L917 HydrophobicContact CD1-CB 4.17Å; L913-L917 HydrophobicContact CD1-CD1 3.77Å; L913-L917 HydrophobicContact CD2-CB 4.25Å; L913-L917 HydrophobicContact CG-CB 4.01Å; L913-L917 HydrophobicContact CG-CD1 4.45Å; L913-K918 HydrophobicContact CB-CG 4.31Å; L913-K918 HydrophobicContact CD2-CG 3.93Å; L913-K918 HydrophobicContact CG-CG 4.25Å; L913-K918 WeakPolarHBondContact O-CE 3.32Å; L913-K918 PolarHBondContact O-NZ 3.45Å; L913-L921 HydrophobicContact CD2-CD1 3.72Å; L913-F928 HydrophobicContact CD2-CE1 4.23Å; L913-W1009 HydrophobicContact CD2-CH2 4.1Å; L913-W1009 HydrophobicContact CD2-CZ3 4.04Å
914P91.9Very high92.7Very high22 Ų2253.9 Ų53.914%0.14326%0.255CS..  trans-56.2141.8178.3-3138.3000113.5I883 H884 L912 R916 L917 K918I883-P914 HydrophobicContact CG1-CG 4.35Å; I883-P914 WeakPolarHBondContact O-CG 3.47Å; H884-P914 WeakPolarHBondContact ND1-CG 3.32Å; L912-P914 WeakPolarHBondContact O-CD 3.33Å; P914-R916 HydrophobicContact CB-CG 4.08Å; P914-R916 PolarHBondContact O-N 3.39Å; P914-R916 VanDerWaalsContact O-N 3.13Å; P914-L917 PolarHBondContact O-N 3.23Å; P914-K918 PolarHBondContact O-N 3.44Å; P914-K918 VanDerWaalsContact O-N 3.09Å
915N91.5Very high92.9Very high68 Ų6859.7 Ų59.736%0.36428%0.282SS..Hα-helixtrans-54.6-34.5-179.7-74.13000113.6L917 K918 R919 V1012 E1013N915-L917 VanDerWaalsContact C-N 3.33Å; N915-L917 PolarHBondContact O-N 3.16Å; N915-K918 WeakPolarHBondContact O-CB 3.47Å; N915-K918 PolarHBondContact O-N 2.99Å; N915-R919 WeakPolarHBondContact O-CB 3.25Å; N915-R919 PolarHBondContact O-N 2.77Å; N915-V1012 HydrophobicContact CB-CB 4.37Å; N915-V1012 HydrophobicContact CB-CG2 3.91Å; N915-V1012 WeakPolarHBondContact O-CG2 3.39Å; N915-E1013 WeakPolarHBondContact CB-O 3.26Å; N915-E1013 PolarHBondContact ND2-O 2.85Å
916R90.1Very high93.1Very high34 Ų3455.1 Ų55.113%0.12826%0.257CS..Hα-helixtrans-59.5-40.9174.873.4-172.4-17987.8-5.8112.9I883 Y886 D887 P914 Y920 A1014 L1017I883-R916 PolarHBondContact O-NH2 3.14Å; Y886-R916 PolarHBondContact O-NH2 2.9Å; D887-R916 IonicContact OD1-NH1 3.93Å; D887-R916 PolarHBondContact OD1-NH1 3.49Å; P914-R916 HydrophobicContact CB-CG 4.08Å; P914-R916 PolarHBondContact O-N 3.39Å; P914-R916 VanDerWaalsContact O-N 3.13Å; R916-Y920 WeakPolarHBondContact O-CB 3.5Å; R916-Y920 PolarHBondContact O-N 2.91Å; R916-A1014 HydrophobicContact CB-CB 4.33Å; R916-L1017 VanDerWaalsContact CZ-CD1 3.43Å; R916-L1017 VanDerWaalsContact NE-CG 3.32Å
917L93.2Very high93.3Very high1 Ų155.7 Ų55.71%0.00526%0.261CS..Hα-helixtrans-75-43.2-179.3-69.8-177.8000109I883 L889 L913 P914 N915 R919 Y920 L921I883-L917 HydrophobicContact CB-CD1 3.86Å; I883-L917 HydrophobicContact CG2-CD1 4.25Å; L889-L917 HydrophobicContact CB-CD2 4.42Å; L889-L917 HydrophobicContact CD1-CD2 3.65Å; L889-L917 HydrophobicContact CG-CD2 3.72Å; L913-L917 HydrophobicContact CD1-CB 4.17Å; L913-L917 HydrophobicContact CD1-CD1 3.77Å; L913-L917 HydrophobicContact CD2-CB 4.25Å; L913-L917 HydrophobicContact CG-CB 4.01Å; L913-L917 HydrophobicContact CG-CD1 4.45Å; P914-L917 PolarHBondContact O-N 3.23Å; N915-L917 VanDerWaalsContact C-N 3.33Å; N915-L917 PolarHBondContact O-N 3.16Å; L917-R919 VanDerWaalsContact C-N 3.29Å; L917-R919 PolarHBondContact O-N 3.03Å; L917-Y920 PolarHBondContact O-N 3.47Å; L917-L921 WeakPolarHBondContact O-CB 3.49Å; L917-L921 WeakPolarHBondContact O-CG 2.99Å; L917-L921 PolarHBondContact O-N 3.22Å
918K94.1Very high93.6Very high22 Ų2249.9 Ų49.910%0.09623%0.234CC..Hα-helixtrans-51.7-50.3173.2-70.3177.8171.7162.80111.7K910 L913 P914 N915 L921 A922 W1009 V1012K910-K918 WeakPolarHBondContact O-CE 3.42Å; K910-K918 PolarHBondContact O-NZ 3.42Å; L913-K918 HydrophobicContact CB-CG 4.31Å; L913-K918 HydrophobicContact CD2-CG 3.93Å; L913-K918 HydrophobicContact CG-CG 4.25Å; L913-K918 WeakPolarHBondContact O-CE 3.32Å; L913-K918 PolarHBondContact O-NZ 3.45Å; P914-K918 PolarHBondContact O-N 3.44Å; P914-K918 VanDerWaalsContact O-N 3.09Å; N915-K918 WeakPolarHBondContact O-CB 3.47Å; N915-K918 PolarHBondContact O-N 2.99Å; K918-L921 PolarHBondContact O-N 3.46Å; K918-A922 PolarHBondContact O-N 3.13Å; K918-A922 VanDerWaalsContact O-N 3.11Å; K918-W1009 HydrophobicContact CB-CB 4Å; K918-W1009 HydrophobicContact CB-CD2 3.62Å; K918-W1009 HydrophobicContact CB-CE3 3.72Å; K918-W1009 HydrophobicContact CB-CG 3.76Å; K918-W1009 HydrophobicContact CB-CZ3 4.45Å; K918-W1009 HydrophobicContact CD-CD2 4.08Å; K918-W1009 HydrophobicContact CD-CG 4.3Å; K918-W1009 HydrophobicContact CD-CZ2 4.28Å; K918-W1009 HydrophobicContact CG-CD2 3.63Å; K918-W1009 HydrophobicContact CG-CE3 3.78Å; K918-W1009 HydrophobicContact CG-CG 4.15Å; K918-W1009 HydrophobicContact CG-CH2 4.24Å; K918-W1009 HydrophobicContact CG-CZ2 4.09Å; K918-W1009 HydrophobicContact CG-CZ3 4.09Å; K918-V1012 HydrophobicContact CB-CG2 4.38Å
919R92.7Very high93.8Very high99 Ų9947.5 Ų47.537%0.37422%0.223SC..Hα-helixtrans-61.8-49.2178.5-174.6171.3-176.2139.8-2.1112.4N915 L917 L921 A922 D923 W1009 V1012 A1014N915-R919 WeakPolarHBondContact O-CB 3.25Å; N915-R919 PolarHBondContact O-N 2.77Å; L917-R919 VanDerWaalsContact C-N 3.29Å; L917-R919 PolarHBondContact O-N 3.03Å; R919-L921 VanDerWaalsContact C-N 3.34Å; R919-L921 PolarHBondContact O-N 2.7Å; R919-A922 PolarHBondContact O-N 3.11Å; R919-D923 VanDerWaalsContact CG-OD2 3.25Å; R919-D923 WeakPolarHBondContact CG-OD2 3.44Å; R919-D923 IonicContact NE-OD2 3.49Å; R919-D923 PolarHBondContact NE-OD2 2.98Å; R919-D923 WeakPolarHBondContact O-CB 3.47Å; R919-D923 PolarHBondContact O-N 3.45Å; R919-W1009 VanDerWaalsContact CA-O 3.29Å; R919-W1009 WeakPolarHBondContact CA-O 3.28Å; R919-V1012 HydrophobicContact CB-CG2 4.11Å; R919-V1012 PolarHBondContact NH1-O 3.28Å; R919-A1014 HydrophobicContact CB-CB 4.39Å
920Y94.1Very high94Very high51 Ų5147.9 Ų47.920%0.223%0.225CC..Hα-helixtrans-58.3-45.6177.4-166.9-76.7000111.9L889 L892 R916 L917 A922 D923 H924 I926L889-Y920 HydrophobicContact CB-CD1 3.7Å; L889-Y920 HydrophobicContact CB-CE1 3.84Å; L889-Y920 HydrophobicContact CB-CG 4.13Å; L889-Y920 HydrophobicContact CD1-CD1 3.79Å; L889-Y920 HydrophobicContact CD1-CG 4.25Å; L889-Y920 HydrophobicContact CG-CD1 4.39Å; L889-Y920 VanDerWaalsContact O-CZ 3.23Å; L889-Y920 PolarHBondContact O-OH 3.44Å; L892-Y920 HydrophobicContact CB-CE1 4.14Å; L892-Y920 PolarHBondContact N-OH 2.91Å; L892-Y920 PolarHBondContact O-OH 3.04Å; R916-Y920 WeakPolarHBondContact O-CB 3.5Å; R916-Y920 PolarHBondContact O-N 2.91Å; L917-Y920 PolarHBondContact O-N 3.47Å; Y920-A922 VanDerWaalsContact C-N 3.28Å; Y920-A922 PolarHBondContact O-N 3.35Å; Y920-D923 PolarHBondContact O-N 3.01Å; Y920-H924 HydrophobicContact CD1-CB 4.34Å; Y920-H924 AromaticContact CD1-CD2 3.62Å; Y920-H924 AromaticContact CD2-CD2 3.64Å; Y920-H924 AromaticContact CD2-NE2 3.79Å; Y920-H924 HydrophobicContact CE1-CB 4.08Å; Y920-H924 AromaticContact CE1-CD2 3.55Å; Y920-H924 AromaticContact CE1-CG 3.83Å; Y920-H924 AromaticContact CE2-CD2 3.6Å; Y920-H924 AromaticContact CE2-NE2 3.52Å; Y920-H924 AromaticContact CG-CD2 3.66Å; Y920-H924 AromaticContact CZ-CD2 3.54Å; Y920-H924 AromaticContact CZ-CG 3.98Å; Y920-H924 AromaticContact CZ-NE2 3.76Å; Y920-H924 WeakPolarHBondContact O-CB 3.31Å; Y920-H924 PolarHBondContact O-CD2 3.44Å; Y920-H924 VanDerWaalsContact O-CD2 3.27Å; Y920-H924 PolarHBondContact O-N 3.33Å; Y920-I926 HydrophobicContact CD1-CG1 4.35Å; Y920-I926 HydrophobicContact CE1-CD1 4.46Å; Y920-I926 HydrophobicContact CE1-CG1 4.41Å
921L95.3Very high94.2Very high0 Ų045.5 Ų45.50%021%0.214CC..Hα-helixtrans-58.8-40.5179-69.5173.5000111.8L889 F898 L913 L917 K918 R919 K925 I926 F928 I1005 W1009L889-L921 HydrophobicContact CD1-CD2 3.66Å; L889-L921 HydrophobicContact CD1-CG 3.91Å; F898-L921 HydrophobicContact CB-CD2 4.28Å; F898-L921 HydrophobicContact CD1-CD2 4.06Å; L913-L921 HydrophobicContact CD2-CD1 3.72Å; L917-L921 WeakPolarHBondContact O-CB 3.49Å; L917-L921 WeakPolarHBondContact O-CG 2.99Å; L917-L921 PolarHBondContact O-N 3.22Å; K918-L921 PolarHBondContact O-N 3.46Å; R919-L921 VanDerWaalsContact C-N 3.34Å; R919-L921 PolarHBondContact O-N 2.7Å; L921-K925 PolarHBondContact O-N 2.8Å; L921-I926 HydrophobicContact CB-CB 4.5Å; L921-I926 HydrophobicContact CD2-CB 3.58Å; L921-I926 HydrophobicContact CD2-CG1 4.07Å; L921-I926 HydrophobicContact CD2-CG2 3.46Å; L921-I926 VanDerWaalsContact CD2-CG2 3.46Å; L921-I926 PolarHBondContact O-N 3.19Å; L921-F928 HydrophobicContact CD1-CB 4.5Å; L921-F928 HydrophobicContact CD1-CD1 3.93Å; L921-F928 HydrophobicContact CD1-CE1 4.3Å; L921-F928 HydrophobicContact CD1-CG 4.11Å; L921-F928 HydrophobicContact CD2-CB 4.41Å; L921-I1005 HydrophobicContact CB-CD1 3.86Å; L921-W1009 HydrophobicContact CD1-CZ3 4.01Å
922A94.6Very high94.3Very high21 Ų2140.4 Ų40.417%0.17419%0.192CC..Hα-helixtrans-73.8-50.5178.700000112.7K918 R919 Y920 H924 K925 I1005 W1009 A1010K918-A922 PolarHBondContact O-N 3.13Å; K918-A922 VanDerWaalsContact O-N 3.11Å; R919-A922 PolarHBondContact O-N 3.11Å; Y920-A922 VanDerWaalsContact C-N 3.28Å; Y920-A922 PolarHBondContact O-N 3.35Å; A922-H924 VanDerWaalsContact C-N 3.27Å; A922-H924 PolarHBondContact O-N 3.04Å; A922-K925 PolarHBondContact O-N 2.66Å; A922-I1005 HydrophobicContact CB-CG2 3.97Å; A922-W1009 HydrophobicContact CB-CB 3.97Å; A922-A1010 HydrophobicContact CB-CB 4.01Å
923D93.9Very high94.4Very high80 Ų8037.4 Ų37.443%0.42818%0.176SC..Hα-helixtrans-60.6-37.9-177-72.1-12.4000111.3R919 Y920R919-D923 VanDerWaalsContact CG-OD2 3.25Å; R919-D923 WeakPolarHBondContact CG-OD2 3.44Å; R919-D923 IonicContact NE-OD2 3.49Å; R919-D923 PolarHBondContact NE-OD2 2.98Å; R919-D923 WeakPolarHBondContact O-CB 3.47Å; R919-D923 PolarHBondContact O-N 3.45Å; Y920-D923 PolarHBondContact O-N 3.01Å
924H95.3Very high94.1Very high55 Ų5538.6 Ų38.626%0.25518%0.182SC..THydrogen-bonded Turntrans-98.45.7-178.3-62.9-81.4000114.2D894 G895 Y920 A922 I926D894-H924 CarbonylContact C-O 3.48Å; D894-H924 WeakPolarHBondContact CA-O 3.48Å; D894-H924 IonicContact OD1-CE1 3.04Å; D894-H924 IonicContact OD1-CG 3.73Å; D894-H924 IonicContact OD1-ND1 2.93Å; D894-H924 PolarHBondContact OD1-ND1 3.31Å; G895-H924 PolarHBondContact N-O 3.2Å; Y920-H924 HydrophobicContact CD1-CB 4.34Å; Y920-H924 AromaticContact CD1-CD2 3.62Å; Y920-H924 AromaticContact CD2-CD2 3.64Å; Y920-H924 AromaticContact CD2-NE2 3.79Å; Y920-H924 HydrophobicContact CE1-CB 4.08Å; Y920-H924 AromaticContact CE1-CD2 3.55Å; Y920-H924 AromaticContact CE1-CG 3.83Å; Y920-H924 AromaticContact CE2-CD2 3.6Å; Y920-H924 AromaticContact CE2-NE2 3.52Å; Y920-H924 AromaticContact CG-CD2 3.66Å; Y920-H924 AromaticContact CZ-CD2 3.54Å; Y920-H924 AromaticContact CZ-CG 3.98Å; Y920-H924 AromaticContact CZ-NE2 3.76Å; Y920-H924 WeakPolarHBondContact O-CB 3.31Å; Y920-H924 PolarHBondContact O-CD2 3.44Å; Y920-H924 VanDerWaalsContact O-CD2 3.27Å; Y920-H924 PolarHBondContact O-N 3.33Å; A922-H924 VanDerWaalsContact C-N 3.27Å; A922-H924 PolarHBondContact O-N 3.04Å; H924-I926 VanDerWaalsContact C-N 3.31Å; H924-I926 HydrophobicContact CB-CD1 3.72Å; H924-I926 HydrophobicContact CB-CG1 3.91Å; H924-I926 PolarHBondContact O-N 3.47Å
925K95.7Very high94Very high170 Ų17039.4 Ų39.474%0.73919%0.185SC*.THydrogen-bonded Turntrans51.545.6178.4-56.6175.3-176.8173.10113.5G895 L921 A922G895-K925 WeakPolarHBondContact CA-O 3.28Å; L921-K925 PolarHBondContact O-N 2.8Å; A922-K925 PolarHBondContact O-N 2.66Å
926I97Very high93.9Very high5 Ų536.6 Ų36.63%0.02617%0.17CC..  trans-72.4139-173.3-59.9-53.6000111.3L892 K893 G896 F898 Y920 L921 H924 F928 I1005L892-I926 HydrophobicContact CD2-CB 4.42Å; L892-I926 HydrophobicContact CD2-CD1 3.6Å; L892-I926 HydrophobicContact CD2-CG1 3.92Å; L892-I926 HydrophobicContact CD2-CG2 3.61Å; L892-I926 HydrophobicContact CG-CD1 3.79Å; K893-I926 VanDerWaalsContact O-CD1 3.3Å; K893-I926 WeakPolarHBondContact O-CD1 3.48Å; G896-I926 WeakPolarHBondContact O-CG2 3.48Å; F898-I926 HydrophobicContact CB-CG2 3.78Å; Y920-I926 HydrophobicContact CD1-CG1 4.35Å; Y920-I926 HydrophobicContact CE1-CD1 4.46Å; Y920-I926 HydrophobicContact CE1-CG1 4.41Å; L921-I926 HydrophobicContact CB-CB 4.5Å; L921-I926 HydrophobicContact CD2-CB 3.58Å; L921-I926 HydrophobicContact CD2-CG1 4.07Å; L921-I926 HydrophobicContact CD2-CG2 3.46Å; L921-I926 VanDerWaalsContact CD2-CG2 3.46Å; L921-I926 PolarHBondContact O-N 3.19Å; H924-I926 VanDerWaalsContact C-N 3.31Å; H924-I926 HydrophobicContact CB-CD1 3.72Å; H924-I926 HydrophobicContact CB-CG1 3.91Å; H924-I926 PolarHBondContact O-N 3.47Å; I926-F928 PolarHBondContact O-N 2.8Å; I926-I1005 WeakPolarHBondContact O-CD1 3.4Å
927N97.4Very high93.7Very high51 Ų5135 Ų3527%0.27316%0.164SC..EExtended strand (participates in β ladder)trans-76.8103.8168.8-67.9-73.6000109.7G895 G896 T897 F898 Y929 K1002G895-N927 PolarHBondContact O-ND2 2.88Å; G896-N927 PolarHBondContact O-N 2.89Å; T897-N927 CarbonylContact C-O 3.59Å; T897-N927 WeakPolarHBondContact CA-O 3.45Å; F898-N927 PolarHBondContact N-O 3.17Å; N927-Y929 HydrophobicContact CB-CE2 3.8Å; N927-K1002 PolarHBondContact OD1-NZ 2.9Å
928F97.3Very high93.4Very high1 Ų140.4 Ų40.40%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-97.9125.2-175.9-177.6-147.8000112.5F898 L900 V909 L913 L921 I926 I930 I1003 I1005F898-F928 HydrophobicContact CB-CD2 4.34Å; F898-F928 AromaticContact CD1-CD2 3.38Å; F898-F928 HydrophobicContact CD1-CD2 3.38Å; F898-F928 AromaticContact CD1-CE2 3.43Å; F898-F928 HydrophobicContact CD1-CE2 3.43Å; F898-F928 VanDerWaalsContact CD1-CE2 3.43Å; F898-F928 HydrophobicContact CD1-CG 4.39Å; F898-F928 HydrophobicContact CD1-CZ 4.45Å; F898-F928 HydrophobicContact CE1-CD2 4.05Å; F898-F928 AromaticContact CE1-CE2 3.59Å; F898-F928 HydrophobicContact CE1-CE2 3.59Å; F898-F928 HydrophobicContact CE1-CZ 4.35Å; F898-F928 HydrophobicContact CG-CD2 4.19Å; F898-F928 HydrophobicContact CG-CE2 4.46Å; L900-F928 HydrophobicContact CB-CE2 3.88Å; L900-F928 HydrophobicContact CB-CZ 4.43Å; L900-F928 HydrophobicContact CD2-CE2 4.43Å; L900-F928 HydrophobicContact CD2-CZ 4.22Å; V909-F928 HydrophobicContact CG1-CE1 3.78Å; V909-F928 HydrophobicContact CG1-CZ 3.81Å; L913-F928 HydrophobicContact CD2-CE1 4.23Å; L921-F928 HydrophobicContact CD1-CB 4.5Å; L921-F928 HydrophobicContact CD1-CD1 3.93Å; L921-F928 HydrophobicContact CD1-CE1 4.3Å; L921-F928 HydrophobicContact CD1-CG 4.11Å; L921-F928 HydrophobicContact CD2-CB 4.41Å; I926-F928 PolarHBondContact O-N 2.8Å; F928-I930 HydrophobicContact CE1-CG2 4.33Å; F928-I930 HydrophobicContact CE2-CG2 3.87Å; F928-I930 HydrophobicContact CZ-CG2 3.66Å; F928-I1003 HydrophobicContact CD1-CB 3.66Å; F928-I1003 HydrophobicContact CD1-CG1 4.07Å; F928-I1003 HydrophobicContact CD1-CG2 3.88Å; F928-I1003 HydrophobicContact CE1-CB 4.15Å; F928-I1003 HydrophobicContact CE1-CG1 4.15Å; F928-I1003 HydrophobicContact CE1-CG2 4.18Å; F928-I1003 HydrophobicContact CG-CB 4.27Å; F928-I1003 PolarHBondContact O-N 3.28Å; F928-I1005 HydrophobicContact CB-CD1 4.28Å; F928-I1005 HydrophobicContact CB-CG1 4.41Å
929Y97.5Very high93.2Very high45 Ų4546.5 Ų46.518%0.17622%0.216CC..EExtended strand (participates in β ladder)trans-126.6148.2177.4-63.2-96.2000111.7T897 F898 L899 L900 N927 L957 L1000 K1001 K1002T897-Y929 HydrophobicContact CG2-CD2 3.79Å; T897-Y929 HydrophobicContact CG2-CE2 3.97Å; F898-Y929 PolarHBondContact O-N 2.7Å; L899-Y929 WeakPolarHBondContact CA-O 3.19Å; L900-Y929 PolarHBondContact N-O 3.18Å; N927-Y929 HydrophobicContact CB-CE2 3.8Å; Y929-L957 HydrophobicContact CD1-CD2 3.55Å; Y929-L957 HydrophobicContact CD2-CD1 4.05Å; Y929-L957 HydrophobicContact CD2-CD2 3.62Å; Y929-L957 HydrophobicContact CE1-CD2 3.51Å; Y929-L957 HydrophobicContact CE2-CD2 3.58Å; Y929-L957 HydrophobicContact CG-CD1 4.02Å; Y929-L957 HydrophobicContact CG-CD2 3.6Å; Y929-L957 HydrophobicContact CG-CG 4.49Å; Y929-L1000 HydrophobicContact CD1-CG 4.34Å; Y929-K1001 CarbonylContact C-O 3.41Å; Y929-K1001 VanDerWaalsContact CA-O 3.31Å; Y929-K1001 WeakPolarHBondContact CA-O 3.48Å; Y929-K1002 HydrophobicContact CD1-CB 3.79Å; Y929-K1002 HydrophobicContact CD1-CG 4.15Å; Y929-K1002 HydrophobicContact CE1-CB 3.53Å; Y929-K1002 HydrophobicContact CE1-CD 4.01Å; Y929-K1002 HydrophobicContact CE1-CG 3.72Å
930I96.9Very high92.9Very high9 Ų942.5 Ų42.55%0.04620%0.202CC..EExtended strand (participates in β ladder)trans-124.8150.9172.367.4174.6000111L900 T902 V909 F928 K1001 I1003L900-I930 HydrophobicContact CB-CG2 4.36Å; L900-I930 WeakPolarHBondContact O-CA 3.41Å; T902-I930 HydrophobicContact CG2-CB 4.21Å; T902-I930 HydrophobicContact CG2-CG2 4.39Å; V909-I930 HydrophobicContact CG1-CG2 4.32Å; V909-I930 HydrophobicContact CG2-CD1 4.05Å; V909-I930 HydrophobicContact CG2-CG2 4.3Å; F928-I930 HydrophobicContact CE1-CG2 4.33Å; F928-I930 HydrophobicContact CE2-CG2 3.87Å; F928-I930 HydrophobicContact CZ-CG2 3.66Å; I930-K1001 HydrophobicContact CG1-CB 4.04Å; I930-K1001 PolarHBondContact N-O 3.1Å; I930-K1001 PolarHBondContact O-N 3.23Å; I930-I1003 HydrophobicContact CD1-CD1 3.63Å; I930-I1003 HydrophobicContact CD1-CG1 4.25Å; I930-I1003 HydrophobicContact CG1-CD1 3.87Å; I930-I1003 HydrophobicContact CG1-CG1 4.11Å; I930-I1003 HydrophobicContact CG2-CD1 4.48Å; I930-I1003 HydrophobicContact CG2-CG1 3.95Å
931I95.3Very high92.3Very high3 Ų341.6 Ų41.62%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-144.7144.9171.8-168.5161.8000109.9L899 L900 N901 T902 I936 V949 M950 A953 T996 L1000L899-I931 HydrophobicContact CD1-CB 4.42Å; L899-I931 HydrophobicContact CD1-CG2 3.94Å; L900-I931 PolarHBondContact O-N 2.9Å; L900-I931 VanDerWaalsContact O-N 3.1Å; N901-I931 CarbonylContact C-O 3.53Å; N901-I931 VanDerWaalsContact CA-O 3.3Å; N901-I931 WeakPolarHBondContact CA-O 3.44Å; N901-I931 PolarHBondContact OD1-O 2.76Å; T902-I931 PolarHBondContact N-O 2.88Å; I931-I936 HydrophobicContact CD1-CD1 4Å; I931-I936 HydrophobicContact CG1-CD1 4.01Å; I931-V949 HydrophobicContact CD1-CG1 3.61Å; I931-V949 HydrophobicContact CG1-CG1 4.3Å; I931-M950 HydrophobicContact CG2-CE 4.24Å; I931-M950 HydrophobicContact CG2-SD 3.86Å; I931-A953 HydrophobicContact CD1-CB 4.21Å; I931-T996 HydrophobicContact CD1-CG2 3.47Å; I931-T996 VanDerWaalsContact CD1-CG2 3.47Å; I931-L1000 HydrophobicContact CB-CD1 4.3Å; I931-L1000 HydrophobicContact CD1-CD1 4.29Å
932N93.7Very high91.4Very high44 Ų4442.7 Ų42.724%0.23521%0.214CC..  trans-101.381.8170.6-173.2-13.2000109.5T902 M934 D935 I936T902-N932 VanDerWaalsContact O-CA 3.23Å; T902-N932 WeakPolarHBondContact O-CA 3.28Å; T902-N932 VanDerWaalsContact O-CB 3.27Å; T902-N932 WeakPolarHBondContact O-CB 3.3Å; N932-M934 PolarHBondContact O-N 2.87Å; N932-M934 PolarHBondContact OD1-N 2.78Å; N932-D935 HydrophobicContact CB-CB 4.15Å; N932-D935 WeakPolarHBondContact ND2-CB 3.23Å; N932-D935 PolarHBondContact O-N 2.83Å; N932-D935 WeakPolarHBondContact OD1-CB 3.41Å; N932-D935 PolarHBondContact OD1-N 2.84Å; N932-I936 WeakPolarHBondContact O-CG1 3.34Å; N932-I936 PolarHBondContact O-N 3.37Å
933A91Very high90.4Very high0 Ų043.7 Ų43.70%023%0.227CC..Hα-helixtrans-69.1-26.3-176.700000112.9N901 A937 I946 V949 M950N901-A933 VanDerWaalsContact OD1-CB 3.28Å; N901-A933 WeakPolarHBondContact OD1-CB 3.31Å; N901-A933 PolarHBondContact OD1-N 3.48Å; A933-A937 VanDerWaalsContact O-CB 3.3Å; A933-A937 WeakPolarHBondContact O-CB 3.21Å; A933-A937 PolarHBondContact O-N 3.24Å; A933-I946 HydrophobicContact CB-CB 3.8Å; A933-I946 HydrophobicContact CB-CG2 3.75Å; A933-V949 HydrophobicContact CB-CB 3.96Å; A933-V949 HydrophobicContact CB-CG1 3.58Å; A933-M950 HydrophobicContact CB-CG 4.44Å; A933-M950 HydrophobicContact CB-SD 3.81Å
934M86.6Confident89.3Confident29 Ų2942.1 Ų42.114%0.14323%0.23CC..Hα-helixtrans-67.5-45.2176.7-169.859.655.600111.7V903 N932 I936 A937 Q938 I946 L1073V903-M934 HydrophobicContact CG1-CB 4.36Å; N932-M934 PolarHBondContact O-N 2.87Å; N932-M934 PolarHBondContact OD1-N 2.78Å; M934-I936 VanDerWaalsContact C-N 3.32Å; M934-I936 PolarHBondContact O-N 2.82Å; M934-A937 PolarHBondContact O-N 2.93Å; M934-Q938 WeakPolarHBondContact O-CB 3.39Å; M934-Q938 VanDerWaalsContact O-CG 3.31Å; M934-Q938 WeakPolarHBondContact O-CG 3.27Å; M934-Q938 PolarHBondContact O-N 2.9Å; M934-Q938 HydrophobicContact SD-CG 4.48Å; M934-I946 HydrophobicContact CE-CG2 4.1Å; M934-L1073 HydrophobicContact CE-CD1 3.42Å; M934-L1073 VanDerWaalsContact CE-CD1 3.42Å; M934-L1073 HydrophobicContact SD-CD1 4.36Å
935D90.4Very high88.3Confident40 Ų4046.3 Ų46.321%0.21424%0.243CC..Hα-helixtrans-61.2-41.1176178.167.3000111.7N932 K939N932-D935 HydrophobicContact CB-CB 4.15Å; N932-D935 WeakPolarHBondContact ND2-CB 3.23Å; N932-D935 PolarHBondContact O-N 2.83Å; N932-D935 WeakPolarHBondContact OD1-CB 3.41Å; N932-D935 PolarHBondContact OD1-N 2.84Å; D935-K939 WeakPolarHBondContact O-CB 3.45Å; D935-K939 VanDerWaalsContact O-CG 3.31Å; D935-K939 WeakPolarHBondContact O-CG 3.29Å; D935-K939 PolarHBondContact O-N 2.53Å; D935-K939 WeakPolarHBondContact OD1-CE 3.35Å; D935-K939 IonicContact OD1-NZ 3.6Å; D935-K939 PolarHBondContact OD1-NZ 3.29Å; D935-K939 IonicContact OD2-NZ 3.99Å; D935-K939 PolarHBondContact OD2-NZ 3.48Å
936I90Very high87.8Confident8 Ų838.5 Ų38.54%0.04121%0.21CC..Hα-helixtrans-63.9-48.6176.1-62.9166.3000110.4I931 N932 M934 Q938 K939 T940 V949 A992 A995 K999I931-I936 HydrophobicContact CD1-CD1 4Å; I931-I936 HydrophobicContact CG1-CD1 4.01Å; N932-I936 WeakPolarHBondContact O-CG1 3.34Å; N932-I936 PolarHBondContact O-N 3.37Å; M934-I936 VanDerWaalsContact C-N 3.32Å; M934-I936 PolarHBondContact O-N 2.82Å; I936-Q938 PolarHBondContact O-N 2.92Å; I936-K939 PolarHBondContact O-N 3Å; I936-T940 HydrophobicContact CG2-CG2 4.42Å; I936-T940 WeakPolarHBondContact O-CB 3.25Å; I936-T940 VanDerWaalsContact O-CG2 3.27Å; I936-T940 WeakPolarHBondContact O-CG2 3.39Å; I936-T940 PolarHBondContact O-N 2.88Å; I936-T940 PolarHBondContact O-OG1 3.45Å; I936-V949 HydrophobicContact CB-CG2 4.08Å; I936-V949 HydrophobicContact CD1-CG1 3.74Å; I936-V949 HydrophobicContact CG2-CG2 3.63Å; I936-A992 HydrophobicContact CG2-CB 4.11Å; I936-A995 HydrophobicContact CG2-CB 4.1Å; I936-K999 HydrophobicContact CD1-CB 3.84Å; I936-K999 HydrophobicContact CD1-CG 4.2Å; I936-K999 HydrophobicContact CG1-CB 4.5Å; I936-K999 HydrophobicContact CG1-CG 4.35Å
937A86.1Confident87.2Confident0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-63.2-39.7-179.900000112.4A933 M934 T940 G941 L942 G943A933-A937 VanDerWaalsContact O-CB 3.3Å; A933-A937 WeakPolarHBondContact O-CB 3.21Å; A933-A937 PolarHBondContact O-N 3.24Å; M934-A937 PolarHBondContact O-N 2.93Å; A937-T940 WeakPolarHBondContact CA-OG1 3.49Å; A937-T940 PolarHBondContact O-OG1 2.81Å; A937-G941 PolarHBondContact O-N 3.5Å; A937-G941 VanDerWaalsContact O-N 3.14Å; A937-L942 HydrophobicContact CB-CB 4.25Å; A937-L942 PolarHBondContact O-N 3.14Å; A937-G943 VanDerWaalsContact CB-O 3.28Å; A937-G943 WeakPolarHBondContact CB-O 3.43Å
938Q86.4Confident86.7Confident116 Ų11636.7 Ų36.754%0.54220%0.2SC..Hα-helixtrans-66.5-48176.1-74.1179.2-5.100112M934 I936 T940 G941M934-Q938 WeakPolarHBondContact O-CB 3.39Å; M934-Q938 VanDerWaalsContact O-CG 3.31Å; M934-Q938 WeakPolarHBondContact O-CG 3.27Å; M934-Q938 PolarHBondContact O-N 2.9Å; M934-Q938 HydrophobicContact SD-CG 4.48Å; I936-Q938 PolarHBondContact O-N 2.92Å; Q938-T940 VanDerWaalsContact C-N 3.27Å; Q938-T940 PolarHBondContact O-N 2.82Å; Q938-G941 PolarHBondContact O-N 2.9Å; Q938-G941 VanDerWaalsContact O-N 3.07Å
939K89Confident86.4Confident149 Ų14936.7 Ų36.765%0.64820%0.2SC*.Hα-helixtrans-64.9-30.4-179.9-76.1172.81771600113.6D935 I936 G941D935-K939 WeakPolarHBondContact O-CB 3.45Å; D935-K939 VanDerWaalsContact O-CG 3.31Å; D935-K939 WeakPolarHBondContact O-CG 3.29Å; D935-K939 PolarHBondContact O-N 2.53Å; D935-K939 WeakPolarHBondContact OD1-CE 3.35Å; D935-K939 IonicContact OD1-NZ 3.6Å; D935-K939 PolarHBondContact OD1-NZ 3.29Å; D935-K939 IonicContact OD2-NZ 3.99Å; D935-K939 PolarHBondContact OD2-NZ 3.48Å; I936-K939 PolarHBondContact O-N 3Å; K939-G941 VanDerWaalsContact C-N 3.35Å
940T86.9Confident86.1Confident15 Ų1534.7 Ų34.79%0.09219%0.192CC..THydrogen-bonded Turntrans-87.6-3.8176.555.70000112.7I936 A937 Q938 R988 Q991 A992I936-T940 HydrophobicContact CG2-CG2 4.42Å; I936-T940 WeakPolarHBondContact O-CB 3.25Å; I936-T940 VanDerWaalsContact O-CG2 3.27Å; I936-T940 WeakPolarHBondContact O-CG2 3.39Å; I936-T940 PolarHBondContact O-N 2.88Å; I936-T940 PolarHBondContact O-OG1 3.45Å; A937-T940 WeakPolarHBondContact CA-OG1 3.49Å; A937-T940 PolarHBondContact O-OG1 2.81Å; Q938-T940 VanDerWaalsContact C-N 3.27Å; Q938-T940 PolarHBondContact O-N 2.82Å; T940-R988 WeakPolarHBondContact O-CB 3.23Å; T940-R988 VanDerWaalsContact O-CD 3.23Å; T940-R988 WeakPolarHBondContact O-CD 3.27Å; T940-R988 WeakPolarHBondContact O-CG 3.09Å; T940-Q991 HydrophobicContact CG2-CB 4.06Å; T940-A992 HydrophobicContact CG2-CB 3.99Å
941G81.5Confident85.8Confident32 Ų3234.3 Ų34.333%0.3319%0.191SC..THydrogen-bonded Turntrans74.327.4178.400000114.7A937 Q938 K939 R988A937-G941 PolarHBondContact O-N 3.5Å; A937-G941 VanDerWaalsContact O-N 3.14Å; Q938-G941 PolarHBondContact O-N 2.9Å; Q938-G941 VanDerWaalsContact O-N 3.07Å; K939-G941 VanDerWaalsContact C-N 3.35Å; G941-R988 PolarHBondContact O-NH1 2.88Å
942L76.5Confident85.6Confident23 Ų2334.2 Ų34.212%0.1219%0.19CC..  trans-93.1-0.9174.2-64.9175000113.5A937 G944 R945 R988 A992A937-L942 HydrophobicContact CB-CB 4.25Å; A937-L942 PolarHBondContact O-N 3.14Å; L942-G944 PolarHBondContact O-N 3.3Å; L942-R945 PolarHBondContact O-N 2.93Å; L942-R988 HydrophobicContact CD2-CB 3.78Å; L942-R988 HydrophobicContact CG-CB 4.2Å; L942-A992 HydrophobicContact CD1-CB 3.59Å
943G73.2Confident85.6Confident42 Ų4232.1 Ų32.143%0.43318%0.179SC..THydrogen-bonded Turntrans65.5-128.3-178.100000111.4A937A937-G943 VanDerWaalsContact CB-O 3.28Å; A937-G943 WeakPolarHBondContact CB-O 3.43Å
944G71Confident85.7Confident48 Ų4832.2 Ų32.250%0.49518%0.179SC..THydrogen-bonded Turntrans-87.66.7179.800000115.8L942 I946L942-G944 PolarHBondContact O-N 3.3Å; G944-I946 PolarHBondContact O-N 2.96Å
945R75.6Confident86.1Confident142 Ų14230.9 Ų30.954%0.53617%0.173SC..  trans-85103.7-175.2-64.8-175.1-175.2-174.54.3111.1L942L942-R945 PolarHBondContact O-N 2.93Å
946I84.6Confident86.2Confident6 Ų632.1 Ų32.13%0.03118%0.177CC..  trans-96.8-0.1-176.461169.1000113.8H878 N901 A933 M934 G944 Q948 V949 M950H878-I946 HydrophobicContact CB-CD1 4.28Å; N901-I946 WeakPolarHBondContact ND2-CD1 3.47Å; A933-I946 HydrophobicContact CB-CB 3.8Å; A933-I946 HydrophobicContact CB-CG2 3.75Å; M934-I946 HydrophobicContact CE-CG2 4.1Å; G944-I946 PolarHBondContact O-N 2.96Å; I946-Q948 PolarHBondContact O-N 3.43Å; I946-V949 PolarHBondContact O-N 3.44Å; I946-M950 HydrophobicContact CB-CG 4.35Å; I946-M950 HydrophobicContact CD1-CG 4.11Å; I946-M950 HydrophobicContact CG1-CG 4.28Å; I946-M950 WeakPolarHBondContact O-CG 3.2Å; I946-M950 PolarHBondContact O-N 3.38Å
947N83.9Confident86.4Confident15 Ų1532.8 Ų32.88%0.0818%0.181CC..Hα-helixtrans-57.2-47.4-168.957.5-61.5000113.9G817 A821 M950 S951G817-N947 WeakPolarHBondContact O-CB 3.37Å; A821-N947 HydrophobicContact CB-CB 4.03Å; A821-N947 WeakPolarHBondContact CB-O 3.1Å; N947-M950 PolarHBondContact O-N 3.32Å; N947-S951 WeakPolarHBondContact O-CB 3.19Å; N947-S951 PolarHBondContact O-N 3.33Å
948Q88Confident86.5Confident4 Ų433.1 Ų33.12%0.01918%0.183CC..Hα-helixtrans-69.1-36.1-178.9-65.6-51.1-33.500112.3I946 T952 V974 N989 I993I946-Q948 PolarHBondContact O-N 3.43Å; Q948-T952 WeakPolarHBondContact O-CB 3.21Å; Q948-T952 PolarHBondContact O-N 2.83Å; Q948-T952 PolarHBondContact O-OG1 3.09Å; Q948-V974 VanDerWaalsContact CD-CG2 3.41Å; Q948-V974 HydrophobicContact CG-CG2 3.94Å; Q948-N989 HydrophobicContact CG-CB 4.21Å; Q948-N989 WeakPolarHBondContact CG-OD1 3.39Å; Q948-I993 HydrophobicContact CB-CG1 4.06Å
949V90.4Very high86.1Confident1 Ų135.8 Ų35.81%0.00620%0.201CC..Hα-helixtrans-62.9-49.2176.2-179.40000110.3I931 A933 I936 I946 T952 A953 A992 T996I931-V949 HydrophobicContact CD1-CG1 3.61Å; I931-V949 HydrophobicContact CG1-CG1 4.3Å; A933-V949 HydrophobicContact CB-CB 3.96Å; A933-V949 HydrophobicContact CB-CG1 3.58Å; I936-V949 HydrophobicContact CB-CG2 4.08Å; I936-V949 HydrophobicContact CD1-CG1 3.74Å; I936-V949 HydrophobicContact CG2-CG2 3.63Å; I946-V949 PolarHBondContact O-N 3.44Å; V949-T952 PolarHBondContact O-N 3.19Å; V949-A953 WeakPolarHBondContact O-CB 2.85Å; V949-A953 PolarHBondContact O-N 3.46Å; V949-A992 HydrophobicContact CG2-CB 4.12Å; V949-T996 WeakPolarHBondContact CA-OG1 3.21Å; V949-T996 HydrophobicContact CG1-CG2 3.98Å; V949-T996 WeakPolarHBondContact CG1-OG1 3.42Å; V949-T996 VanDerWaalsContact O-CG2 3.3Å; V949-T996 WeakPolarHBondContact O-CG2 3.33Å
950M91.3Very high85.9Confident2 Ų230 Ų301%0.0118%0.177CC..Hα-helixtrans-68.8-37.7-178.7-62.6-50-64.200112.6H878 L899 N901 I931 A933 I946 N947 A953 F954H878-M950 WeakPolarHBondContact CD2-CE 3.39Å; H878-M950 WeakPolarHBondContact CE1-CB 3.48Å; H878-M950 WeakPolarHBondContact NE2-CE 3.41Å; L899-M950 HydrophobicContact CD2-CE 3.7Å; L899-M950 HydrophobicContact CG-CE 4.12Å; N901-M950 HydrophobicContact CB-CE 3.98Å; N901-M950 HydrophobicContact CB-SD 3.95Å; I931-M950 HydrophobicContact CG2-CE 4.24Å; I931-M950 HydrophobicContact CG2-SD 3.86Å; A933-M950 HydrophobicContact CB-CG 4.44Å; A933-M950 HydrophobicContact CB-SD 3.81Å; I946-M950 HydrophobicContact CB-CG 4.35Å; I946-M950 HydrophobicContact CD1-CG 4.11Å; I946-M950 HydrophobicContact CG1-CG 4.28Å; I946-M950 WeakPolarHBondContact O-CG 3.2Å; I946-M950 PolarHBondContact O-N 3.38Å; N947-M950 PolarHBondContact O-N 3.32Å; M950-A953 PolarHBondContact O-N 3.02Å; M950-F954 PolarHBondContact O-N 3.09Å
951S89.7Confident85.9Confident2 Ų230.2 Ų30.21%0.01418%0.177CC..Hα-helixtrans-63-43.1173.8-167.90000111.5N947 F954 F955N947-S951 WeakPolarHBondContact O-CB 3.19Å; N947-S951 PolarHBondContact O-N 3.33Å; S951-F954 PolarHBondContact O-N 2.9Å; S951-F955 VanDerWaalsContact O-CD2 3.28Å; S951-F955 WeakPolarHBondContact O-CD2 3.33Å; S951-F955 PolarHBondContact O-N 2.91Å; S951-F955 VanDerWaalsContact O-N 3.15Å
952T91.8Very high86.2Confident0 Ų033.2 Ų33.20%019%0.185CC..Hα-helixtrans-64.7-43.5178-54.30000110.9Q948 V949 F954 F955 E956 Y966 L967 L970 I993 T996 V997Q948-T952 WeakPolarHBondContact O-CB 3.21Å; Q948-T952 PolarHBondContact O-N 2.83Å; Q948-T952 PolarHBondContact O-OG1 3.09Å; V949-T952 PolarHBondContact O-N 3.19Å; T952-F954 VanDerWaalsContact C-N 3.27Å; T952-F954 PolarHBondContact O-N 2.91Å; T952-F955 PolarHBondContact O-N 3.11Å; T952-E956 WeakPolarHBondContact O-CB 3.25Å; T952-E956 PolarHBondContact O-N 3.2Å; T952-Y966 HydrophobicContact CG2-CE2 4.35Å; T952-L967 HydrophobicContact CG2-CD1 4.46Å; T952-L970 HydrophobicContact CG2-CD1 4.39Å; T952-I993 HydrophobicContact CG2-CG2 4.03Å; T952-T996 HydrophobicContact CG2-CG2 3.98Å; T952-V997 HydrophobicContact CG2-CG2 4.18Å
953A93.2Very high86.8Confident0 Ų036.1 Ų36.10%020%0.198CC..Hα-helixtrans-62.4-35.6177.100000112.1L899 I931 V949 M950 L957 T996 L1000L899-A953 HydrophobicContact CD2-CB 3.66Å; I931-A953 HydrophobicContact CD1-CB 4.21Å; V949-A953 WeakPolarHBondContact O-CB 2.85Å; V949-A953 PolarHBondContact O-N 3.46Å; M950-A953 PolarHBondContact O-N 3.02Å; A953-L957 VanDerWaalsContact O-CB 3.26Å; A953-L957 WeakPolarHBondContact O-CB 3.44Å; A953-L957 WeakPolarHBondContact O-CG 2.92Å; A953-L957 PolarHBondContact O-N 2.91Å; A953-T996 HydrophobicContact CB-CG2 3.91Å; A953-L1000 HydrophobicContact CB-CD1 4.08Å
954F94.3Very high87.5Confident2 Ų242 Ų421%0.00921%0.214CC..Hα-helixtrans-63.2-49.9173.2172.7-113.2000111.9F806 A808 F810 A825 I829 F858 F874 M950 S951 T952 L957 T958 I960F806-F954 HydrophobicContact CE1-CE2 4.22Å; F806-F954 HydrophobicContact CE1-CZ 4.45Å; A808-F954 HydrophobicContact CB-CE2 4.12Å; A808-F954 HydrophobicContact CB-CZ 4.46Å; F810-F954 HydrophobicContact CE1-CB 4.4Å; F810-F954 AromaticContact CE1-CD2 3.93Å; F810-F954 HydrophobicContact CE1-CD2 3.93Å; F810-F954 HydrophobicContact CE1-CE2 4.48Å; F810-F954 HydrophobicContact CE1-CG 4.2Å; F810-F954 HydrophobicContact CE2-CE2 4.49Å; F810-F954 HydrophobicContact CZ-CD1 4.41Å; F810-F954 AromaticContact CZ-CD2 3.51Å; F810-F954 HydrophobicContact CZ-CD2 3.51Å; F810-F954 AromaticContact CZ-CE2 3.64Å; F810-F954 HydrophobicContact CZ-CE2 3.64Å; F810-F954 AromaticContact CZ-CG 3.91Å; F810-F954 HydrophobicContact CZ-CG 3.91Å; F810-F954 HydrophobicContact CZ-CZ 4.16Å; A825-F954 HydrophobicContact CB-CD1 4.11Å; A825-F954 HydrophobicContact CB-CE1 4.26Å; I829-F954 HydrophobicContact CD1-CE1 4.16Å; F858-F954 HydrophobicContact CE1-CZ 4.06Å; F858-F954 HydrophobicContact CZ-CZ 4.08Å; F874-F954 AromaticContact CD1-CD2 3.9Å; F874-F954 HydrophobicContact CD1-CD2 3.9Å; F874-F954 HydrophobicContact CD1-CE2 4.07Å; F874-F954 HydrophobicContact CD2-CD2 4.32Å; F874-F954 AromaticContact CE1-CD2 3.78Å; F874-F954 HydrophobicContact CE1-CD2 3.78Å; F874-F954 HydrophobicContact CE1-CE2 4.41Å; F874-F954 HydrophobicContact CE2-CD2 4.2Å; F874-F954 HydrophobicContact CG-CD2 4.19Å; F874-F954 HydrophobicContact CG-CE2 4.15Å; F874-F954 AromaticContact CZ-CD2 3.93Å; F874-F954 HydrophobicContact CZ-CD2 3.93Å; M950-F954 PolarHBondContact O-N 3.09Å; S951-F954 PolarHBondContact O-N 2.9Å; T952-F954 VanDerWaalsContact C-N 3.27Å; T952-F954 PolarHBondContact O-N 2.91Å; F954-L957 PolarHBondContact O-N 3.38Å; F954-T958 HydrophobicContact CD2-CG2 3.85Å; F954-T958 HydrophobicContact CE2-CG2 3.62Å; F954-T958 HydrophobicContact CZ-CG2 4.28Å; F954-T958 WeakPolarHBondContact O-CB 3.5Å; F954-T958 VanDerWaalsContact O-CG2 3.27Å; F954-T958 WeakPolarHBondContact O-CG2 3.3Å; F954-T958 PolarHBondContact O-N 2.68Å; F954-T958 VanDerWaalsContact O-N 3.14Å; F954-T958 PolarHBondContact O-OG1 3.33Å; F954-I960 HydrophobicContact CE1-CD1 4.17Å; F954-I960 HydrophobicContact CZ-CD1 3.97Å
955F93.6Very high88.4Confident2 Ų242.9 Ų42.91%0.00921%0.21CC..Hα-helixtrans-65.4-38.4178.1-78.7-72.4000113.2A825 I828 I829 S951 T952 L957 T958 M961 Y966 L970A825-F955 HydrophobicContact CB-CE2 3.93Å; A825-F955 HydrophobicContact CB-CZ 4.16Å; I828-F955 HydrophobicContact CB-CZ 4.01Å; I828-F955 HydrophobicContact CD1-CE2 4.31Å; I828-F955 HydrophobicContact CG2-CE1 4.3Å; I828-F955 HydrophobicContact CG2-CE2 4.49Å; I828-F955 HydrophobicContact CG2-CZ 3.79Å; I829-F955 HydrophobicContact CD1-CE1 4.13Å; I829-F955 HydrophobicContact CD1-CZ 4.3Å; I829-F955 HydrophobicContact CG1-CE1 3.77Å; I829-F955 HydrophobicContact CG1-CZ 3.99Å; S951-F955 VanDerWaalsContact O-CD2 3.28Å; S951-F955 WeakPolarHBondContact O-CD2 3.33Å; S951-F955 PolarHBondContact O-N 2.91Å; S951-F955 VanDerWaalsContact O-N 3.15Å; T952-F955 PolarHBondContact O-N 3.11Å; F955-L957 VanDerWaalsContact C-N 3.34Å; F955-L957 PolarHBondContact O-N 3.06Å; F955-T958 PolarHBondContact O-N 3.38Å; F955-M961 HydrophobicContact CE1-SD 4.18Å; F955-Y966 HydrophobicContact CB-CD1 3.87Å; F955-Y966 HydrophobicContact CB-CD2 3.51Å; F955-Y966 HydrophobicContact CB-CE1 4.01Å; F955-Y966 HydrophobicContact CB-CE2 3.73Å; F955-Y966 HydrophobicContact CB-CG 3.64Å; F955-Y966 HydrophobicContact CD1-CG 4.23Å; F955-Y966 HydrophobicContact CD2-CD2 4.43Å; F955-Y966 AromaticContact CG-CD2 3.99Å; F955-Y966 HydrophobicContact CG-CD2 3.99Å; F955-Y966 HydrophobicContact CG-CG 4Å; F955-L970 HydrophobicContact CD2-CD1 4.13Å; F955-L970 HydrophobicContact CD2-CD2 4.09Å; F955-L970 HydrophobicContact CD2-CG 4.36Å; F955-L970 HydrophobicContact CE2-CD2 3.99Å
956E93.4Very high89.2Confident66 Ų6636.2 Ų36.231%0.30819%0.185SC..Hα-helixtrans-67.4-34.2177.4-177.269.8-150.400112.1T952 T958 H963 Y966 V997 L1000T952-E956 WeakPolarHBondContact O-CB 3.25Å; T952-E956 PolarHBondContact O-N 3.2Å; E956-T958 VanDerWaalsContact C-N 3.34Å; E956-H963 IonicContact OE2-CE1 3.77Å; E956-H963 IonicContact OE2-ND1 2.71Å; E956-H963 PolarHBondContact OE2-ND1 3.27Å; E956-Y966 PolarHBondContact OE2-OH 2.67Å; E956-V997 HydrophobicContact CG-CG1 4.38Å; E956-L1000 HydrophobicContact CB-CD2 4.4Å; E956-L1000 HydrophobicContact CG-CD2 3.95Å
957L93Very high89.4Confident22 Ų2237 Ų3712%0.11519%0.189CC..Hα-helixtrans-82.9-10.3178.9-73.7-179.4000114.4F874 T897 L899 Y929 A953 F954 F955 L1000F874-L957 HydrophobicContact CE2-CB 3.93Å; F874-L957 HydrophobicContact CE2-CD1 3.9Å; F874-L957 HydrophobicContact CZ-CD1 4.3Å; T897-L957 HydrophobicContact CG2-CB 4.49Å; T897-L957 HydrophobicContact CG2-CD1 4.15Å; L899-L957 HydrophobicContact CB-CD1 3.97Å; L899-L957 HydrophobicContact CD1-CD1 3.98Å; L899-L957 HydrophobicContact CD2-CD1 4.08Å; L899-L957 HydrophobicContact CG-CD1 4.21Å; Y929-L957 HydrophobicContact CD1-CD2 3.55Å; Y929-L957 HydrophobicContact CD2-CD1 4.05Å; Y929-L957 HydrophobicContact CD2-CD2 3.62Å; Y929-L957 HydrophobicContact CE1-CD2 3.51Å; Y929-L957 HydrophobicContact CE2-CD2 3.58Å; Y929-L957 HydrophobicContact CG-CD1 4.02Å; Y929-L957 HydrophobicContact CG-CD2 3.6Å; Y929-L957 HydrophobicContact CG-CG 4.49Å; A953-L957 VanDerWaalsContact O-CB 3.26Å; A953-L957 WeakPolarHBondContact O-CB 3.44Å; A953-L957 WeakPolarHBondContact O-CG 2.92Å; A953-L957 PolarHBondContact O-N 2.91Å; F954-L957 PolarHBondContact O-N 3.38Å; F955-L957 VanDerWaalsContact C-N 3.34Å; F955-L957 PolarHBondContact O-N 3.06Å; L957-L1000 HydrophobicContact CD1-CD1 4.21Å; L957-L1000 HydrophobicContact CD1-CD2 4.41Å; L957-L1000 HydrophobicContact CD2-CD2 3.56Å; L957-L1000 HydrophobicContact CD2-CG 4.34Å; L957-L1000 HydrophobicContact CG-CD1 4.42Å; L957-L1000 HydrophobicContact CG-CD2 3.74Å
958T89.8Confident89.8Confident6 Ų640 Ų404%0.03721%0.209CC..SBendtrans-118.7124.7-176.859.50000109F806 F874 F954 F955 E956 I960F806-T958 HydrophobicContact CE1-CG2 4.15Å; F806-T958 HydrophobicContact CZ-CG2 3.7Å; F874-T958 HydrophobicContact CD2-CG2 3.93Å; F874-T958 HydrophobicContact CE2-CG2 4.36Å; F954-T958 HydrophobicContact CD2-CG2 3.85Å; F954-T958 HydrophobicContact CE2-CG2 3.62Å; F954-T958 HydrophobicContact CZ-CG2 4.28Å; F954-T958 WeakPolarHBondContact O-CB 3.5Å; F954-T958 VanDerWaalsContact O-CG2 3.27Å; F954-T958 WeakPolarHBondContact O-CG2 3.3Å; F954-T958 PolarHBondContact O-N 2.68Å; F954-T958 VanDerWaalsContact O-N 3.14Å; F954-T958 PolarHBondContact O-OG1 3.33Å; F955-T958 PolarHBondContact O-N 3.38Å; E956-T958 VanDerWaalsContact C-N 3.34Å; T958-I960 HydrophobicContact CG2-CD1 4.33Å; T958-I960 PolarHBondContact O-N 3.26Å; T958-I960 WeakPolarHBondContact OG1-CD1 3.33Å
959D78.2Confident90.1Very high173 Ų17341.6 Ų41.693%0.92522%0.218SC*.THydrogen-bonded Turntrans-74.634.8-178.9-60.1-40.5000112.8
960I83.6Confident90.1Very high27 Ų2741.6 Ų41.614%0.13822%0.217CC..THydrogen-bonded Turntrans-75.4-42.8-176-54.6164.2000110.4I829 Y835 F858 F954 T958I829-I960 HydrophobicContact CD1-CD1 4.14Å; I829-I960 HydrophobicContact CG1-CG2 4.45Å; Y835-I960 HydrophobicContact CE2-CG2 4.11Å; F858-I960 HydrophobicContact CE1-CD1 4.26Å; F858-I960 HydrophobicContact CE2-CD1 3.38Å; F858-I960 HydrophobicContact CE2-CG1 3.7Å; F858-I960 HydrophobicContact CE2-CG2 4.05Å; F858-I960 HydrophobicContact CZ-CD1 3.19Å; F858-I960 HydrophobicContact CZ-CG1 4Å; F954-I960 HydrophobicContact CE1-CD1 4.17Å; F954-I960 HydrophobicContact CZ-CD1 3.97Å; T958-I960 HydrophobicContact CG2-CD1 4.33Å; T958-I960 PolarHBondContact O-N 3.26Å; T958-I960 WeakPolarHBondContact OG1-CD1 3.33Å
961M88.3Confident90.1Very high20 Ų2043.7 Ų43.710%0.09923%0.227CC..SBendtrans-137.6142.5179.4-70.7177.9179.800107.5I828 N832 T833 F955 T965 Y966 L969I828-M961 HydrophobicContact CG2-CE 4.24Å; I828-M961 HydrophobicContact CG2-SD 4.24Å; N832-M961 HydrophobicContact CB-CE 4.17Å; T833-M961 HydrophobicContact CG2-CE 3.27Å; F955-M961 HydrophobicContact CE1-SD 4.18Å; M961-T965 HydrophobicContact SD-CG2 4.46Å; M961-Y966 HydrophobicContact CB-CD1 4.3Å; M961-L969 HydrophobicContact SD-CD1 4.23Å
962D87.8Confident90Very high95 Ų9546.3 Ų46.351%0.50825%0.249SC..  trans-68.2158.4172.961.831000111.4E964 T965 Y966D962-E964 PolarHBondContact O-N 2.9Å; D962-E964 PolarHBondContact OD1-N 2.98Å; D962-T965 PolarHBondContact O-N 2.92Å; D962-T965 WeakPolarHBondContact OD1-CA 3.2Å; D962-T965 WeakPolarHBondContact OD1-CB 3.34Å; D962-T965 PolarHBondContact OD1-N 2.93Å; D962-T965 PolarHBondContact OD1-OG1 3.41Å; D962-Y966 WeakPolarHBondContact O-CD1 3.34Å; D962-Y966 PolarHBondContact O-N 2.95Å; D962-Y966 VanDerWaalsContact O-N 3.1Å
963H87.2Confident89.7Confident83 Ų8349.6 Ų49.638%0.38426%0.264SS..Hα-helixtrans-55-34.5180-173.294.6000112.8E956 T965 Y966 L967E956-H963 IonicContact OE2-CE1 3.77Å; E956-H963 IonicContact OE2-ND1 2.71Å; E956-H963 PolarHBondContact OE2-ND1 3.27Å; H963-T965 VanDerWaalsContact C-N 3.33Å; H963-T965 PolarHBondContact O-N 3.41Å; H963-Y966 VanDerWaalsContact CA-CE1 3.43Å; H963-Y966 HydrophobicContact CB-CE1 4.23Å; H963-Y966 AromaticContact ND1-CZ 3.97Å; H963-Y966 PolarHBondContact ND1-OH 2.75Å; H963-Y966 VanDerWaalsContact ND1-OH 3.17Å; H963-L967 WeakPolarHBondContact O-CB 3.47Å; H963-L967 PolarHBondContact O-N 3.05Å
964E89Confident89.3Confident167 Ų16749.6 Ų49.678%0.7826%0.264SS*.Hα-helixtrans-73.1-24.8179.7-62-174.7174.900112.8D962 P968D962-E964 PolarHBondContact O-N 2.9Å; D962-E964 PolarHBondContact OD1-N 2.98Å; E964-P968 WeakPolarHBondContact O-CD 3.28Å; E964-P968 VanDerWaalsContact O-CG 3.25Å; E964-P968 WeakPolarHBondContact O-CG 3.31Å
965T89.9Confident88.9Confident66 Ų6652.5 Ų52.541%0.40528%0.279SS..Hα-helixtrans-89.8-49.8-179.6-60.40000112.6M961 D962 H963 P968 L969M961-T965 HydrophobicContact SD-CG2 4.46Å; D962-T965 PolarHBondContact O-N 2.92Å; D962-T965 WeakPolarHBondContact OD1-CA 3.2Å; D962-T965 WeakPolarHBondContact OD1-CB 3.34Å; D962-T965 PolarHBondContact OD1-N 2.93Å; D962-T965 PolarHBondContact OD1-OG1 3.41Å; H963-T965 VanDerWaalsContact C-N 3.33Å; H963-T965 PolarHBondContact O-N 3.41Å; T965-P968 WeakPolarHBondContact O-CD 3.37Å; T965-L969 HydrophobicContact CG2-CD1 4.19Å; T965-L969 WeakPolarHBondContact O-CD1 3.44Å; T965-L969 WeakPolarHBondContact O-CG 3.49Å
966Y91.4Very high88.3Confident2 Ų256 Ų561%0.00831%0.309CS..Hα-helixtrans-78.1-30-172.578.7-105.1000112.8T952 F955 E956 M961 D962 H963 L969 L970T952-Y966 HydrophobicContact CG2-CE2 4.35Å; F955-Y966 HydrophobicContact CB-CD1 3.87Å; F955-Y966 HydrophobicContact CB-CD2 3.51Å; F955-Y966 HydrophobicContact CB-CE1 4.01Å; F955-Y966 HydrophobicContact CB-CE2 3.73Å; F955-Y966 HydrophobicContact CB-CG 3.64Å; F955-Y966 HydrophobicContact CD1-CG 4.23Å; F955-Y966 HydrophobicContact CD2-CD2 4.43Å; F955-Y966 AromaticContact CG-CD2 3.99Å; F955-Y966 HydrophobicContact CG-CD2 3.99Å; F955-Y966 HydrophobicContact CG-CG 4Å; E956-Y966 PolarHBondContact OE2-OH 2.67Å; M961-Y966 HydrophobicContact CB-CD1 4.3Å; D962-Y966 WeakPolarHBondContact O-CD1 3.34Å; D962-Y966 PolarHBondContact O-N 2.95Å; D962-Y966 VanDerWaalsContact O-N 3.1Å; H963-Y966 VanDerWaalsContact CA-CE1 3.43Å; H963-Y966 HydrophobicContact CB-CE1 4.23Å; H963-Y966 AromaticContact ND1-CZ 3.97Å; H963-Y966 PolarHBondContact ND1-OH 2.75Å; H963-Y966 VanDerWaalsContact ND1-OH 3.17Å; Y966-L969 PolarHBondContact O-N 3.04Å; Y966-L970 HydrophobicContact CD2-CD1 3.56Å; Y966-L970 HydrophobicContact CD2-CG 4.25Å; Y966-L970 HydrophobicContact CE2-CD1 3.87Å; Y966-L970 WeakPolarHBondContact O-CG 3.49Å; Y966-L970 PolarHBondContact O-N 2.97Å
967L90.7Very high87.4Confident23 Ų2355.5 Ų55.512%0.1232%0.316CS..Hα-helixtrans-64.6-45.9-175.3-156.582.9000111.8T952 H963 L969 L970 K971 I993T952-L967 HydrophobicContact CG2-CD1 4.46Å; H963-L967 WeakPolarHBondContact O-CB 3.47Å; H963-L967 PolarHBondContact O-N 3.05Å; L967-L969 VanDerWaalsContact C-N 3.33Å; L967-L969 PolarHBondContact O-N 3.16Å; L967-L970 PolarHBondContact O-N 3.03Å; L967-K971 WeakPolarHBondContact O-CG 3.11Å; L967-K971 PolarHBondContact O-N 3.26Å; L967-K971 VanDerWaalsContact O-N 3.11Å; L967-I993 HydrophobicContact CD1-CG2 3.47Å; L967-I993 VanDerWaalsContact CD1-CG2 3.47Å; L967-I993 HydrophobicContact CG-CG2 4.14Å
968P92.3Very high86.5Confident76 Ų7656.6 Ų56.649%0.49432%0.319SS..Hα-helixtrans-61.1-38.5171.6-23.535.6000113.1E964 T965 K971 A972E964-P968 WeakPolarHBondContact O-CD 3.28Å; E964-P968 VanDerWaalsContact O-CG 3.25Å; E964-P968 WeakPolarHBondContact O-CG 3.31Å; T965-P968 WeakPolarHBondContact O-CD 3.37Å; P968-K971 PolarHBondContact O-N 3.45Å; P968-A972 WeakPolarHBondContact O-CB 3.3Å; P968-A972 PolarHBondContact O-N 3.39Å
969L92.7Very high85.8Confident39 Ų3957.7 Ų57.720%0.20433%0.332CS..Hα-helixtrans-65.2-43.4179-67.4173.6000112.1I828 N832 M961 T965 Y966 L967 K971 A972 E973I828-L969 HydrophobicContact CG2-CB 4.19Å; I828-L969 HydrophobicContact CG2-CD1 4.13Å; N832-L969 HydrophobicContact CB-CD1 3.83Å; N832-L969 WeakPolarHBondContact OD1-CD2 3.46Å; M961-L969 HydrophobicContact SD-CD1 4.23Å; T965-L969 HydrophobicContact CG2-CD1 4.19Å; T965-L969 WeakPolarHBondContact O-CD1 3.44Å; T965-L969 WeakPolarHBondContact O-CG 3.49Å; Y966-L969 PolarHBondContact O-N 3.04Å; L967-L969 VanDerWaalsContact C-N 3.33Å; L967-L969 PolarHBondContact O-N 3.16Å; L969-K971 VanDerWaalsContact C-N 3.33Å; L969-K971 PolarHBondContact O-N 3.46Å; L969-A972 PolarHBondContact O-N 2.87Å; L969-E973 PolarHBondContact O-N 3.3Å
970L90.2Very high85.4Confident0 Ų056 Ų560%032%0.316CS..Hα-helixtrans-60-44.7173.7-75.1174.8000111.3I828 T952 F955 Y966 L967 E973 V974 I993I828-L970 HydrophobicContact CD1-CD2 3.51Å; I828-L970 HydrophobicContact CD1-CG 4.22Å; T952-L970 HydrophobicContact CG2-CD1 4.39Å; F955-L970 HydrophobicContact CD2-CD1 4.13Å; F955-L970 HydrophobicContact CD2-CD2 4.09Å; F955-L970 HydrophobicContact CD2-CG 4.36Å; F955-L970 HydrophobicContact CE2-CD2 3.99Å; Y966-L970 HydrophobicContact CD2-CD1 3.56Å; Y966-L970 HydrophobicContact CD2-CG 4.25Å; Y966-L970 HydrophobicContact CE2-CD1 3.87Å; Y966-L970 WeakPolarHBondContact O-CG 3.49Å; Y966-L970 PolarHBondContact O-N 2.97Å; L967-L970 PolarHBondContact O-N 3.03Å; L970-E973 PolarHBondContact O-N 3.37Å; L970-V974 WeakPolarHBondContact O-CG2 3.46Å; L970-V974 PolarHBondContact O-N 2.84Å; L970-I993 HydrophobicContact CB-CD1 4.13Å
971K91.7Very high84.8Confident46 Ų4660.2 Ų60.220%0.233%0.334CS..Hα-helixtrans-65.1-38.7178.5-71.9-173.5-179.3-178.10112.1L967 P968 L969 V974 D975 W990 I993 D994L967-K971 WeakPolarHBondContact O-CG 3.11Å; L967-K971 PolarHBondContact O-N 3.26Å; L967-K971 VanDerWaalsContact O-N 3.11Å; P968-K971 PolarHBondContact O-N 3.45Å; L969-K971 VanDerWaalsContact C-N 3.33Å; L969-K971 PolarHBondContact O-N 3.46Å; K971-V974 PolarHBondContact O-N 2.75Å; K971-D975 PolarHBondContact O-N 3.35Å; K971-W990 HydrophobicContact CB-CD2 4.49Å; K971-W990 HydrophobicContact CB-CG 4.38Å; K971-W990 HydrophobicContact CB-CZ2 4.43Å; K971-W990 HydrophobicContact CD-CB 4.39Å; K971-W990 HydrophobicContact CD-CD2 4.26Å; K971-W990 HydrophobicContact CD-CG 4.02Å; K971-W990 HydrophobicContact CG-CD2 4.4Å; K971-W990 HydrophobicContact CG-CG 3.93Å; K971-W990 PolarHBondContact O-NE1 2.9Å; K971-I993 HydrophobicContact CG-CD1 4.14Å; K971-D994 WeakPolarHBondContact CE-OD1 3.48Å; K971-D994 IonicContact NZ-OD1 3.41Å; K971-D994 PolarHBondContact NZ-OD1 3.21Å; K971-D994 IonicContact NZ-OD2 3.19Å; K971-D994 PolarHBondContact NZ-OD2 2.83Å
972A89Confident84.2Confident58 Ų5861.1 Ų61.148%0.47934%0.342SS..Hα-helixtrans-67-41.5176.100000112.3P968 L969 V974 D975 A976P968-A972 WeakPolarHBondContact O-CB 3.3Å; P968-A972 PolarHBondContact O-N 3.39Å; L969-A972 PolarHBondContact O-N 2.87Å; A972-V974 PolarHBondContact O-N 3.01Å; A972-D975 PolarHBondContact O-N 2.99Å; A972-A976 PolarHBondContact O-N 2.91Å
973E85.4Confident84Confident69 Ų6962.5 Ų62.532%0.32234%0.34SS..Hα-helixtrans-64.5-38.4174.6-81.6-71.2149.400112.3Q824 I828 L969 L970 D975 A976 A977Q824-E973 HydrophobicContact CG-CB 4.39Å; I828-E973 HydrophobicContact CD1-CG 4.04Å; I828-E973 HydrophobicContact CG1-CG 3.92Å; L969-E973 PolarHBondContact O-N 3.3Å; L970-E973 PolarHBondContact O-N 3.37Å; E973-D975 VanDerWaalsContact C-N 3.33Å; E973-A976 PolarHBondContact O-N 3.36Å; E973-A977 VanDerWaalsContact O-CB 3.28Å; E973-A977 WeakPolarHBondContact O-CB 3.29Å; E973-A977 PolarHBondContact O-N 3.32Å
974V84.8Confident83.8Confident0 Ų061.9 Ų61.90%034%0.342CS..Hα-helixtrans-61.3-43171.9166.50000111Q948 L970 K971 A972 A977 Y978 V986 N989 I993Q948-V974 VanDerWaalsContact CD-CG2 3.41Å; Q948-V974 HydrophobicContact CG-CG2 3.94Å; L970-V974 WeakPolarHBondContact O-CG2 3.46Å; L970-V974 PolarHBondContact O-N 2.84Å; K971-V974 PolarHBondContact O-N 2.75Å; A972-V974 PolarHBondContact O-N 3.01Å; V974-A977 PolarHBondContact O-N 3.27Å; V974-Y978 HydrophobicContact CG1-CD2 4.08Å; V974-Y978 WeakPolarHBondContact O-CB 3.48Å; V974-Y978 WeakPolarHBondContact O-CD2 3.22Å; V974-Y978 PolarHBondContact O-N 3.36Å; V974-V986 HydrophobicContact CG1-CB 4.44Å; V974-V986 HydrophobicContact CG1-CG1 4.19Å; V974-N989 HydrophobicContact CB-CB 4.44Å; V974-N989 HydrophobicContact CG1-CB 3.42Å; V974-N989 VanDerWaalsContact CG1-CB 3.42Å; V974-N989 HydrophobicContact CG2-CB 4.12Å; V974-I993 HydrophobicContact CG2-CD1 4.07Å
975D85.4Confident83.4Confident62 Ų6256.6 Ų56.633%0.33232%0.319SS..Hα-helixtrans-66.3-41.3177.6-163.377.5000111.4K971 A972 E973 A977 G979 R983 V986 W990K971-D975 PolarHBondContact O-N 3.35Å; A972-D975 PolarHBondContact O-N 2.99Å; E973-D975 VanDerWaalsContact C-N 3.33Å; D975-A977 VanDerWaalsContact C-N 3.35Å; D975-A977 PolarHBondContact O-N 3.1Å; D975-G979 WeakPolarHBondContact O-CA 3.45Å; D975-G979 PolarHBondContact O-N 3.09Å; D975-R983 IonicContact OD1-NH1 3.58Å; D975-R983 PolarHBondContact OD1-NH1 3.41Å; D975-V986 HydrophobicContact CB-CG1 4.3Å; D975-W990 HydrophobicContact CB-CZ2 4.42Å
976A79.9Confident83.2Confident77 Ų7753.5 Ų53.564%0.63630%0.3SS*.Hα-helixtrans-62.8-39.317400000112.6A972 E973A972-A976 PolarHBondContact O-N 2.91Å; E973-A976 PolarHBondContact O-N 3.36Å
977A74.3Confident83.1Confident55 Ų5557.4 Ų57.446%0.45532%0.318SS..Hα-helixtrans-80.2-32.5-177.400000114.2E973 V974 D975E973-A977 VanDerWaalsContact O-CB 3.28Å; E973-A977 WeakPolarHBondContact O-CB 3.29Å; E973-A977 PolarHBondContact O-N 3.32Å; V974-A977 PolarHBondContact O-N 3.27Å; D975-A977 VanDerWaalsContact C-N 3.35Å; D975-A977 PolarHBondContact O-N 3.1Å
978Y75.1Confident83.1Confident44 Ų4461.2 Ų61.217%0.17333%0.331CS..Hα-helixtrans-124.9-8.9-171.9-58.1-73.3000114.7V974 K980 K981 S982 I985V974-Y978 HydrophobicContact CG1-CD2 4.08Å; V974-Y978 WeakPolarHBondContact O-CB 3.48Å; V974-Y978 WeakPolarHBondContact O-CD2 3.22Å; V974-Y978 PolarHBondContact O-N 3.36Å; Y978-K980 VanDerWaalsContact C-N 3.32Å; Y978-K980 PolarHBondContact O-N 2.98Å; Y978-K981 HydrophobicContact CD1-CD 4.41Å; Y978-K981 WeakPolarHBondContact O-CA 3.34Å; Y978-K981 WeakPolarHBondContact O-CB 3.19Å; Y978-K981 PolarHBondContact O-N 3.11Å; Y978-S982 PolarHBondContact O-N 3.38Å; Y978-I985 HydrophobicContact CD1-CG2 3.97Å; Y978-I985 HydrophobicContact CG-CG2 3.93Å
979G74.5Confident82.8Confident30 Ų3057.9 Ų57.931%0.30931%0.309SS..THydrogen-bonded Turntrans-58.5-42.3-177.800000112.6D975 K981D975-G979 WeakPolarHBondContact O-CA 3.45Å; D975-G979 PolarHBondContact O-N 3.09Å; G979-K981 PolarHBondContact O-N 3.06Å
980K70.9Confident82.8Confident136 Ų13659.1 Ų59.159%0.59131%0.311SS*.THydrogen-bonded Turntrans-67.1-19.9172.7-62-170.4170.5-149.20113.9R143 D225 Y978R143-K980 PolarHBondContact NH1-O 3.29Å; D225-K980 WeakPolarHBondContact O-CD 3.32Å; Y978-K980 VanDerWaalsContact C-N 3.32Å; Y978-K980 PolarHBondContact O-N 2.98Å
981K70.8Confident82.8Confident117 Ų11764.3 Ų64.351%0.50934%0.335SS..THydrogen-bonded Turntrans-94-45.2-175.1-64.3-172.7179.4-178.20113.1R143 Y978 G979R143-K981 PolarHBondContact NH1-O 3.29Å; R143-K981 VanDerWaalsContact NH1-O 3.08Å; Y978-K981 HydrophobicContact CD1-CD 4.41Å; Y978-K981 WeakPolarHBondContact O-CA 3.34Å; Y978-K981 WeakPolarHBondContact O-CB 3.19Å; Y978-K981 PolarHBondContact O-N 3.11Å; G979-K981 PolarHBondContact O-N 3.06Å
982S74.7Confident82.7Confident39 Ų3962.1 Ų62.127%0.27333%0.325SS..  trans-173.9125.4179.5172.70000110.8Y978 T984 I985 V986Y978-S982 PolarHBondContact O-N 3.38Å; S982-T984 VanDerWaalsContact C-N 3.26Å; S982-T984 PolarHBondContact O-N 2.8Å; S982-T984 PolarHBondContact OG-N 3.25Å; S982-I985 PolarHBondContact O-N 3.37Å; S982-I985 VanDerWaalsContact O-N 3.14Å; S982-I985 PolarHBondContact OG-N 2.92Å; S982-V986 PolarHBondContact O-N 3Å
983R84.3Confident82.8Confident123 Ų12359.3 Ų59.346%0.46430%0.303SS..Hα-helixtrans-60.8-37.4172.1-172.858.9178.7-176.5-2.9112.4D975 I985 V986 E987 W990D975-R983 IonicContact OD1-NH1 3.58Å; D975-R983 PolarHBondContact OD1-NH1 3.41Å; R983-I985 VanDerWaalsContact C-N 3.31Å; R983-I985 PolarHBondContact O-N 3.42Å; R983-V986 WeakPolarHBondContact O-CB 3.36Å; R983-V986 PolarHBondContact O-N 3.34Å; R983-V986 VanDerWaalsContact O-N 3.15Å; R983-E987 HydrophobicContact CG-CG 4.49Å; R983-E987 IonicContact NE-OE1 3.55Å; R983-E987 WeakPolarHBondContact O-CG 3.34Å; R983-E987 PolarHBondContact O-N 3.27Å; R983-W990 VanDerWaalsContact NH2-CH2 3.3Å
984T82.5Confident83.1Confident71 Ų7159.6 Ų59.644%0.43631%0.306SS..Hα-helixtrans-60.9-39175.6-50.60000111.9S982 E987 R988S982-T984 VanDerWaalsContact C-N 3.26Å; S982-T984 PolarHBondContact O-N 2.8Å; S982-T984 PolarHBondContact OG-N 3.25Å; T984-E987 PolarHBondContact O-N 3.09Å; T984-R988 WeakPolarHBondContact O-CB 3.22Å; T984-R988 WeakPolarHBondContact O-CG 3.3Å; T984-R988 PolarHBondContact O-N 2.79Å
985I81.5Confident83.3Confident56 Ų5661.3 Ų61.329%0.28732%0.32SS..Hα-helixtrans-64.7-42.5175.3-66.3176.2000110.5Y978 S982 R983 R988 N989Y978-I985 HydrophobicContact CD1-CG2 3.97Å; Y978-I985 HydrophobicContact CG-CG2 3.93Å; S982-I985 PolarHBondContact O-N 3.37Å; S982-I985 VanDerWaalsContact O-N 3.14Å; S982-I985 PolarHBondContact OG-N 2.92Å; R983-I985 VanDerWaalsContact C-N 3.31Å; R983-I985 PolarHBondContact O-N 3.42Å; I985-R988 PolarHBondContact O-N 3.29Å; I985-N989 WeakPolarHBondContact CG2-ND2 3.41Å; I985-N989 PolarHBondContact O-N 3.24Å; I985-N989 PolarHBondContact O-ND2 2.64Å
986V84.9Confident83.6Confident0 Ų058.3 Ų58.30%030%0.304CS..Hα-helixtrans-58.4-50.91761740000110.8V974 D975 S982 R983 R988 N989 W990V974-V986 HydrophobicContact CG1-CB 4.44Å; V974-V986 HydrophobicContact CG1-CG1 4.19Å; D975-V986 HydrophobicContact CB-CG1 4.3Å; S982-V986 PolarHBondContact O-N 3Å; R983-V986 WeakPolarHBondContact O-CB 3.36Å; R983-V986 PolarHBondContact O-N 3.34Å; R983-V986 VanDerWaalsContact O-N 3.15Å; V986-R988 PolarHBondContact O-N 2.71Å; V986-N989 WeakPolarHBondContact O-CB 3.39Å; V986-N989 PolarHBondContact O-N 3.15Å; V986-N989 VanDerWaalsContact O-N 3.16Å; V986-W990 HydrophobicContact CG1-CD2 3.99Å; V986-W990 VanDerWaalsContact CG1-CE2 3.42Å; V986-W990 HydrophobicContact CG1-CG 4.46Å; V986-W990 HydrophobicContact CG1-CH2 4.3Å; V986-W990 HydrophobicContact CG1-CZ2 3.61Å; V986-W990 PolarHBondContact O-N 3.18Å
987E89.9Confident83.9Confident85 Ų8556.7 Ų56.740%0.39729%0.286SS..Hα-helixtrans-62-41.2-179.4-71.7171.6-178.900112.6R983 T984 N989 W990 Q991R983-E987 HydrophobicContact CG-CG 4.49Å; R983-E987 IonicContact NE-OE1 3.55Å; R983-E987 WeakPolarHBondContact O-CG 3.34Å; R983-E987 PolarHBondContact O-N 3.27Å; T984-E987 PolarHBondContact O-N 3.09Å; E987-N989 VanDerWaalsContact C-N 3.34Å; E987-N989 PolarHBondContact O-N 2.94Å; E987-W990 PolarHBondContact O-N 2.66Å; E987-Q991 WeakPolarHBondContact O-CG 2.94Å; E987-Q991 PolarHBondContact O-N 3.35Å
988R89.6Confident84.5Confident103 Ų10358.3 Ų58.339%0.38930%0.3SS..Hα-helixtrans-62.3-40.3174.8-72.6179.6-179.2178.17.5112.3T940 G941 L942 T984 I985 V986 Q991 A992T940-R988 WeakPolarHBondContact O-CB 3.23Å; T940-R988 VanDerWaalsContact O-CD 3.23Å; T940-R988 WeakPolarHBondContact O-CD 3.27Å; T940-R988 WeakPolarHBondContact O-CG 3.09Å; G941-R988 PolarHBondContact O-NH1 2.88Å; L942-R988 HydrophobicContact CD2-CB 3.78Å; L942-R988 HydrophobicContact CG-CB 4.2Å; T984-R988 WeakPolarHBondContact O-CB 3.22Å; T984-R988 WeakPolarHBondContact O-CG 3.3Å; T984-R988 PolarHBondContact O-N 2.79Å; I985-R988 PolarHBondContact O-N 3.29Å; V986-R988 PolarHBondContact O-N 2.71Å; R988-Q991 PolarHBondContact O-N 2.82Å; R988-A992 PolarHBondContact O-N 2.83Å
989N87.6Confident85.2Confident5 Ų561.9 Ų61.93%0.02732%0.316CS..Hα-helixtrans-65.9-40.8174.1-80.9-79.4000111.5Q948 V974 I985 V986 E987 A992 I993Q948-N989 HydrophobicContact CG-CB 4.21Å; Q948-N989 WeakPolarHBondContact CG-OD1 3.39Å; V974-N989 HydrophobicContact CB-CB 4.44Å; V974-N989 HydrophobicContact CG1-CB 3.42Å; V974-N989 VanDerWaalsContact CG1-CB 3.42Å; V974-N989 HydrophobicContact CG2-CB 4.12Å; I985-N989 WeakPolarHBondContact CG2-ND2 3.41Å; I985-N989 PolarHBondContact O-N 3.24Å; I985-N989 PolarHBondContact O-ND2 2.64Å; V986-N989 WeakPolarHBondContact O-CB 3.39Å; V986-N989 PolarHBondContact O-N 3.15Å; V986-N989 VanDerWaalsContact O-N 3.16Å; E987-N989 VanDerWaalsContact C-N 3.34Å; E987-N989 PolarHBondContact O-N 2.94Å; N989-A992 PolarHBondContact O-N 3.49Å; N989-I993 VanDerWaalsContact O-CG1 3.28Å; N989-I993 WeakPolarHBondContact O-CG1 3.36Å; N989-I993 PolarHBondContact O-N 3.36Å
990W91.6Very high86.1Confident66 Ų6662 Ų6225%0.2531%0.31CS..Hα-helixtrans-61.8-42.8174.7-67.7-3.1000112.1K971 D975 R983 V986 E987 A992 I993 D994K971-W990 HydrophobicContact CB-CD2 4.49Å; K971-W990 HydrophobicContact CB-CG 4.38Å; K971-W990 HydrophobicContact CB-CZ2 4.43Å; K971-W990 HydrophobicContact CD-CB 4.39Å; K971-W990 HydrophobicContact CD-CD2 4.26Å; K971-W990 HydrophobicContact CD-CG 4.02Å; K971-W990 HydrophobicContact CG-CD2 4.4Å; K971-W990 HydrophobicContact CG-CG 3.93Å; K971-W990 PolarHBondContact O-NE1 2.9Å; D975-W990 HydrophobicContact CB-CZ2 4.42Å; R983-W990 VanDerWaalsContact NH2-CH2 3.3Å; V986-W990 HydrophobicContact CG1-CD2 3.99Å; V986-W990 VanDerWaalsContact CG1-CE2 3.42Å; V986-W990 HydrophobicContact CG1-CG 4.46Å; V986-W990 HydrophobicContact CG1-CH2 4.3Å; V986-W990 HydrophobicContact CG1-CZ2 3.61Å; V986-W990 PolarHBondContact O-N 3.18Å; E987-W990 PolarHBondContact O-N 2.66Å; W990-A992 VanDerWaalsContact C-N 3.31Å; W990-A992 PolarHBondContact O-N 3.28Å; W990-I993 WeakPolarHBondContact O-CB 3.19Å; W990-I993 PolarHBondContact O-N 3.35Å; W990-D994 VanDerWaalsContact O-CG 3.28Å; W990-D994 PolarHBondContact O-N 3.15Å
991Q91.1Very high87.2Confident108 Ų10859.8 Ų59.851%0.50530%0.3SS..Hα-helixtrans-61.6-39.2174.1-71.1173.1-0.200112.1T940 E987 R988 D994 A995T940-Q991 HydrophobicContact CG2-CB 4.06Å; E987-Q991 WeakPolarHBondContact O-CG 2.94Å; E987-Q991 PolarHBondContact O-N 3.35Å; R988-Q991 PolarHBondContact O-N 2.82Å; Q991-D994 PolarHBondContact O-N 2.84Å; Q991-A995 WeakPolarHBondContact O-CB 3.44Å; Q991-A995 PolarHBondContact O-N 3.29Å
992A89.5Confident88.4Confident0 Ų058.5 Ų58.50%029%0.294CS..Hα-helixtrans-66-41.8175.700000112.3I936 T940 L942 V949 R988 N989 W990 A995 T996I936-A992 HydrophobicContact CG2-CB 4.11Å; T940-A992 HydrophobicContact CG2-CB 3.99Å; L942-A992 HydrophobicContact CD1-CB 3.59Å; V949-A992 HydrophobicContact CG2-CB 4.12Å; R988-A992 PolarHBondContact O-N 2.83Å; N989-A992 PolarHBondContact O-N 3.49Å; W990-A992 VanDerWaalsContact C-N 3.31Å; W990-A992 PolarHBondContact O-N 3.28Å; A992-A995 PolarHBondContact O-N 3Å; A992-T996 PolarHBondContact O-N 2.82Å; A992-T996 VanDerWaalsContact O-N 3.11Å; A992-T996 PolarHBondContact O-OG1 3.39Å
993I90.4Very high89.4Confident0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-56.9-54.1173-69.9164.8000109.4Q948 T952 L967 L970 K971 V974 N989 W990 A995 T996Q948-I993 HydrophobicContact CB-CG1 4.06Å; T952-I993 HydrophobicContact CG2-CG2 4.03Å; L967-I993 HydrophobicContact CD1-CG2 3.47Å; L967-I993 VanDerWaalsContact CD1-CG2 3.47Å; L967-I993 HydrophobicContact CG-CG2 4.14Å; L970-I993 HydrophobicContact CB-CD1 4.13Å; K971-I993 HydrophobicContact CG-CD1 4.14Å; V974-I993 HydrophobicContact CG2-CD1 4.07Å; N989-I993 VanDerWaalsContact O-CG1 3.28Å; N989-I993 WeakPolarHBondContact O-CG1 3.36Å; N989-I993 PolarHBondContact O-N 3.36Å; W990-I993 WeakPolarHBondContact O-CB 3.19Å; W990-I993 PolarHBondContact O-N 3.35Å; I993-A995 VanDerWaalsContact C-N 3.33Å; I993-A995 PolarHBondContact O-N 3.2Å; I993-T996 VanDerWaalsContact O-CB 3.3Å; I993-T996 WeakPolarHBondContact O-CB 3.23Å; I993-T996 PolarHBondContact O-N 2.77Å; I993-T996 VanDerWaalsContact O-N 3.13Å; I993-T996 PolarHBondContact O-OG1 3.39Å
994D91Very high89.8Confident74 Ų7457.3 Ų57.340%0.39629%0.29SS..Hα-helixtrans-63.1-38.3-177.6-65.9-25.5000112.3K971 W990 Q991 T996K971-D994 WeakPolarHBondContact CE-OD1 3.48Å; K971-D994 IonicContact NZ-OD1 3.41Å; K971-D994 PolarHBondContact NZ-OD1 3.21Å; K971-D994 IonicContact NZ-OD2 3.19Å; K971-D994 PolarHBondContact NZ-OD2 2.83Å; W990-D994 VanDerWaalsContact O-CG 3.28Å; W990-D994 PolarHBondContact O-N 3.15Å; Q991-D994 PolarHBondContact O-N 2.84Å; D994-T996 VanDerWaalsContact C-N 3.29Å; D994-T996 PolarHBondContact O-N 3.38Å
995A90.4Very high90.3Very high36 Ų3656 Ų5630%0.29828%0.28SS..Hα-helixtrans-70.8-22.3178.400000113.8I936 Q991 A992 I993 K999I936-A995 HydrophobicContact CG2-CB 4.1Å; Q991-A995 WeakPolarHBondContact O-CB 3.44Å; Q991-A995 PolarHBondContact O-N 3.29Å; A992-A995 PolarHBondContact O-N 3Å; I993-A995 VanDerWaalsContact C-N 3.33Å; I993-A995 PolarHBondContact O-N 3.2Å; A995-K999 WeakPolarHBondContact O-CB 3.37Å; A995-K999 VanDerWaalsContact O-CG 3.3Å; A995-K999 WeakPolarHBondContact O-CG 3.42Å; A995-K999 PolarHBondContact O-N 2.9Å
996T91.6Very high90.7Very high0 Ų054.9 Ų54.90%028%0.276CS..Hα-helixtrans-62.4-48.8-177.3-60.40000111I931 V949 T952 A953 A992 I993 D994 A998 K999 L1000I931-T996 HydrophobicContact CD1-CG2 3.47Å; I931-T996 VanDerWaalsContact CD1-CG2 3.47Å; V949-T996 WeakPolarHBondContact CA-OG1 3.21Å; V949-T996 HydrophobicContact CG1-CG2 3.98Å; V949-T996 WeakPolarHBondContact CG1-OG1 3.42Å; V949-T996 VanDerWaalsContact O-CG2 3.3Å; V949-T996 WeakPolarHBondContact O-CG2 3.33Å; T952-T996 HydrophobicContact CG2-CG2 3.98Å; A953-T996 HydrophobicContact CB-CG2 3.91Å; A992-T996 PolarHBondContact O-N 2.82Å; A992-T996 VanDerWaalsContact O-N 3.11Å; A992-T996 PolarHBondContact O-OG1 3.39Å; I993-T996 VanDerWaalsContact O-CB 3.3Å; I993-T996 WeakPolarHBondContact O-CB 3.23Å; I993-T996 PolarHBondContact O-N 2.77Å; I993-T996 VanDerWaalsContact O-N 3.13Å; I993-T996 PolarHBondContact O-OG1 3.39Å; D994-T996 VanDerWaalsContact C-N 3.29Å; D994-T996 PolarHBondContact O-N 3.38Å; T996-A998 VanDerWaalsContact C-N 3.31Å; T996-A998 PolarHBondContact O-N 2.81Å; T996-K999 PolarHBondContact O-N 3.1Å; T996-L1000 PolarHBondContact O-N 3.31Å
997V86.2Confident90.8Very high42 Ų4259.2 Ų59.226%0.25531%0.312SS..Hα-helixtrans-59.9-43.5-172.7177.40000110.6T952 E956 K999T952-V997 HydrophobicContact CG2-CG2 4.18Å; E956-V997 HydrophobicContact CG-CG1 4.38Å; V997-K999 VanDerWaalsContact C-N 3.28Å; V997-K999 PolarHBondContact O-N 3.07Å
998A85.9Confident90.9Very high90 Ų9061.5 Ų61.574%0.74432%0.322SS*.Hα-helixtrans-72.1-17.4178.100000114.4T996T996-A998 VanDerWaalsContact C-N 3.31Å; T996-A998 PolarHBondContact O-N 2.81Å
999K91.1Very high91Very high118 Ų11857 Ų5751%0.51331%0.306SS..Hα-helixtrans-105.1-11.2-174.5-75-72.6-179.2179.80113.8I936 A995 T996 V997 K1001I936-K999 HydrophobicContact CD1-CB 3.84Å; I936-K999 HydrophobicContact CD1-CG 4.2Å; I936-K999 HydrophobicContact CG1-CB 4.5Å; I936-K999 HydrophobicContact CG1-CG 4.35Å; A995-K999 WeakPolarHBondContact O-CB 3.37Å; A995-K999 VanDerWaalsContact O-CG 3.3Å; A995-K999 WeakPolarHBondContact O-CG 3.42Å; A995-K999 PolarHBondContact O-N 2.9Å; T996-K999 PolarHBondContact O-N 3.1Å; V997-K999 VanDerWaalsContact C-N 3.28Å; V997-K999 PolarHBondContact O-N 3.07Å; K999-K1001 PolarHBondContact O-N 3.14Å
1000L92.6Very high91.1Very high33 Ų3358.4 Ų58.417%0.17332%0.318CS..  trans-65.6127.1173.2-166.769.3000109.6L899 Y929 I931 A953 E956 L957 T996L899-L1000 HydrophobicContact CD1-CD1 3.88Å; Y929-L1000 HydrophobicContact CD1-CG 4.34Å; I931-L1000 HydrophobicContact CB-CD1 4.3Å; I931-L1000 HydrophobicContact CD1-CD1 4.29Å; A953-L1000 HydrophobicContact CB-CD1 4.08Å; E956-L1000 HydrophobicContact CB-CD2 4.4Å; E956-L1000 HydrophobicContact CG-CD2 3.95Å; L957-L1000 HydrophobicContact CD1-CD1 4.21Å; L957-L1000 HydrophobicContact CD1-CD2 4.41Å; L957-L1000 HydrophobicContact CD2-CD2 3.56Å; L957-L1000 HydrophobicContact CD2-CG 4.34Å; L957-L1000 HydrophobicContact CG-CD1 4.42Å; L957-L1000 HydrophobicContact CG-CD2 3.74Å; T996-L1000 PolarHBondContact O-N 3.31Å
1001K94.7Very high91Very high89 Ų8963.5 Ų63.539%0.38734%0.344SS..EExtended strand (participates in β ladder)trans-125.9120.4-174.7-175.1171.9-179.1179.50110.9E906 Y929 I930 K999 I1003E906-K1001 WeakPolarHBondContact OE2-CE 3.24Å; E906-K1001 IonicContact OE2-NZ 3.82Å; E906-K1001 PolarHBondContact OE2-NZ 3.33Å; Y929-K1001 CarbonylContact C-O 3.41Å; Y929-K1001 VanDerWaalsContact CA-O 3.31Å; Y929-K1001 WeakPolarHBondContact CA-O 3.48Å; I930-K1001 HydrophobicContact CG1-CB 4.04Å; I930-K1001 PolarHBondContact N-O 3.1Å; I930-K1001 PolarHBondContact O-N 3.23Å; K999-K1001 PolarHBondContact O-N 3.14Å; K1001-I1003 HydrophobicContact CD-CD1 4.45Å; K1001-I1003 HydrophobicContact CG-CD1 4.31Å
1002K95.8Very high90.9Very high90 Ų9060 Ų6039%0.39133%0.33SS..EExtended strand (participates in β ladder)trans-73.4137.8168.7-165171.1-173.31640109.7N927 Y929N927-K1002 PolarHBondContact OD1-NZ 2.9Å; Y929-K1002 HydrophobicContact CD1-CB 3.79Å; Y929-K1002 HydrophobicContact CD1-CG 4.15Å; Y929-K1002 HydrophobicContact CE1-CB 3.53Å; Y929-K1002 HydrophobicContact CE1-CD 4.01Å; Y929-K1002 HydrophobicContact CE1-CG 3.72Å
1003I94.9Very high90.7Very high2 Ų267.1 Ų67.11%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-108.5118.5176.1-55-64.3000108E906 F928 I930 K1001 I1005E906-I1003 HydrophobicContact CB-CD1 3.84Å; E906-I1003 HydrophobicContact CG-CD1 3.7Å; F928-I1003 HydrophobicContact CD1-CB 3.66Å; F928-I1003 HydrophobicContact CD1-CG1 4.07Å; F928-I1003 HydrophobicContact CD1-CG2 3.88Å; F928-I1003 HydrophobicContact CE1-CB 4.15Å; F928-I1003 HydrophobicContact CE1-CG1 4.15Å; F928-I1003 HydrophobicContact CE1-CG2 4.18Å; F928-I1003 HydrophobicContact CG-CB 4.27Å; F928-I1003 PolarHBondContact O-N 3.28Å; I930-I1003 HydrophobicContact CD1-CD1 3.63Å; I930-I1003 HydrophobicContact CD1-CG1 4.25Å; I930-I1003 HydrophobicContact CG1-CD1 3.87Å; I930-I1003 HydrophobicContact CG1-CG1 4.11Å; I930-I1003 HydrophobicContact CG2-CD1 4.48Å; I930-I1003 HydrophobicContact CG2-CG1 3.95Å; K1001-I1003 HydrophobicContact CD-CD1 4.45Å; K1001-I1003 HydrophobicContact CG-CD1 4.31Å; I1003-I1005 PolarHBondContact O-N 3.13Å
1004E93.6Very high90Very high135 Ų13569.1 Ų69.163%0.63138%0.38SS*.PPolyproline II helixtrans-70122172.9-66.1-58146.800109.3P1006E1004-P1006 VanDerWaalsContact O-CD 3.26Å; E1004-P1006 WeakPolarHBondContact O-CD 3.37Å
1005I92.2Very high89.2Confident44 Ų4472.7 Ų72.723%0.22639%0.392CS..PPolyproline II helixtrans-80.4117.1-176.9-66.1166000109.1L921 A922 I926 F928 I1003 W1009L921-I1005 HydrophobicContact CB-CD1 3.86Å; A922-I1005 HydrophobicContact CB-CG2 3.97Å; I926-I1005 WeakPolarHBondContact O-CD1 3.4Å; F928-I1005 HydrophobicContact CB-CD1 4.28Å; F928-I1005 HydrophobicContact CB-CG1 4.41Å; I1003-I1005 PolarHBondContact O-N 3.13Å; I1005-W1009 HydrophobicContact CG1-CZ3 4.44Å; I1005-W1009 HydrophobicContact CG2-CD2 4.43Å; I1005-W1009 HydrophobicContact CG2-CE3 3.8Å; I1005-W1009 HydrophobicContact CG2-CZ3 4.39Å
1006P90.4Very high88Confident33 Ų3374.5 Ų74.521%0.21441%0.407CS..PPolyproline II helixtrans-63.7136175.2-22.736.2000111.7E1004 E1008 W1009E1004-P1006 VanDerWaalsContact O-CD 3.26Å; E1004-P1006 WeakPolarHBondContact O-CD 3.37Å; P1006-E1008 HydrophobicContact CB-CG 3.61Å; P1006-E1008 PolarHBondContact O-N 3.41Å; P1006-W1009 HydrophobicContact CB-CG 4.36Å; P1006-W1009 HydrophobicContact CG-CD2 4.34Å; P1006-W1009 HydrophobicContact CG-CG 4.5Å; P1006-W1009 HydrophobicContact CG-CZ2 4.25Å; P1006-W1009 VanDerWaalsContact O-CB 3.32Å; P1006-W1009 WeakPolarHBondContact O-CB 3.3Å; P1006-W1009 PolarHBondContact O-N 2.99Å
1007A87.7Confident86.8Confident90 Ų9076.7 Ų76.774%0.74442%0.419SS*.G310 helixtrans-60.1-31.9178.600000113.1W1009 A1010A1007-W1009 PolarHBondContact O-N 3.04Å; A1007-W1009 VanDerWaalsContact O-N 3.12Å; A1007-A1010 PolarHBondContact O-N 2.89Å; A1007-A1010 VanDerWaalsContact O-N 3.14Å
1008E91.3Very high85.9Confident133 Ų13379.3 Ų79.362%0.62143%0.427SS*.G310 helixtrans-58.5-20.4174.961.6-168.9-147.200113.7P1006 A1010 E1011P1006-E1008 HydrophobicContact CB-CG 3.61Å; P1006-E1008 PolarHBondContact O-N 3.41Å; E1008-A1010 PolarHBondContact O-N 2.92Å; E1008-E1011 PolarHBondContact O-N 3.4Å; E1008-E1011 VanDerWaalsContact O-N 3.1Å
1009W92.2Very high84.4Confident10 Ų1080.1 Ų80.14%0.03843%0.427CS..G310 helixtrans-67.2-20.9176.4-74.911.3000113.4K910 L913 K918 R919 L921 A922 I1005 P1006 A1007 E1011 V1012K910-W1009 HydrophobicContact CB-CZ2 4.16Å; K910-W1009 HydrophobicContact CG-CH2 4.35Å; K910-W1009 HydrophobicContact CG-CZ2 3.92Å; L913-W1009 HydrophobicContact CD2-CH2 4.1Å; L913-W1009 HydrophobicContact CD2-CZ3 4.04Å; K918-W1009 HydrophobicContact CB-CB 4Å; K918-W1009 HydrophobicContact CB-CD2 3.62Å; K918-W1009 HydrophobicContact CB-CE3 3.72Å; K918-W1009 HydrophobicContact CB-CG 3.76Å; K918-W1009 HydrophobicContact CB-CZ3 4.45Å; K918-W1009 HydrophobicContact CD-CD2 4.08Å; K918-W1009 HydrophobicContact CD-CG 4.3Å; K918-W1009 HydrophobicContact CD-CZ2 4.28Å; K918-W1009 HydrophobicContact CG-CD2 3.63Å; K918-W1009 HydrophobicContact CG-CE3 3.78Å; K918-W1009 HydrophobicContact CG-CG 4.15Å; K918-W1009 HydrophobicContact CG-CH2 4.24Å; K918-W1009 HydrophobicContact CG-CZ2 4.09Å; K918-W1009 HydrophobicContact CG-CZ3 4.09Å; R919-W1009 VanDerWaalsContact CA-O 3.29Å; R919-W1009 WeakPolarHBondContact CA-O 3.28Å; L921-W1009 HydrophobicContact CD1-CZ3 4.01Å; A922-W1009 HydrophobicContact CB-CB 3.97Å; I1005-W1009 HydrophobicContact CG1-CZ3 4.44Å; I1005-W1009 HydrophobicContact CG2-CD2 4.43Å; I1005-W1009 HydrophobicContact CG2-CE3 3.8Å; I1005-W1009 HydrophobicContact CG2-CZ3 4.39Å; P1006-W1009 HydrophobicContact CB-CG 4.36Å; P1006-W1009 HydrophobicContact CG-CD2 4.34Å; P1006-W1009 HydrophobicContact CG-CG 4.5Å; P1006-W1009 HydrophobicContact CG-CZ2 4.25Å; P1006-W1009 VanDerWaalsContact O-CB 3.32Å; P1006-W1009 WeakPolarHBondContact O-CB 3.3Å; P1006-W1009 PolarHBondContact O-N 2.99Å; A1007-W1009 PolarHBondContact O-N 3.04Å; A1007-W1009 VanDerWaalsContact O-N 3.12Å; W1009-E1011 VanDerWaalsContact C-N 3.26Å; W1009-E1011 PolarHBondContact O-N 3.35Å; W1009-V1012 VanDerWaalsContact O-CG2 3.25Å; W1009-V1012 WeakPolarHBondContact O-CG2 3.35Å
1010A89.4Confident82.8Confident34 Ų3478.1 Ų78.128%0.28144%0.44SS..G310 helixtrans-70.3-25.3172.600000112.2A922 A1007 E1008A922-A1010 HydrophobicContact CB-CB 4.01Å; A1007-A1010 PolarHBondContact O-N 2.89Å; A1007-A1010 VanDerWaalsContact O-N 3.14Å; E1008-A1010 PolarHBondContact O-N 2.92Å
1011E89.5Confident81.5Confident173 Ų17378.5 Ų78.581%0.80845%0.451SS*.THydrogen-bonded Turntrans-94.1-8.4-174.2-59.4-173.4172.600113.5E1008 W1009E1008-E1011 PolarHBondContact O-N 3.4Å; E1008-E1011 VanDerWaalsContact O-N 3.1Å; W1009-E1011 VanDerWaalsContact C-N 3.26Å; W1009-E1011 PolarHBondContact O-N 3.35Å
1012V88.6Confident80.6Confident33 Ų3377.5 Ų77.520%0.245%0.451CS..SBendtrans-66142.3-178.7-59.10000111.7N915 K918 R919 W1009 A1014N915-V1012 HydrophobicContact CB-CB 4.37Å; N915-V1012 HydrophobicContact CB-CG2 3.91Å; N915-V1012 WeakPolarHBondContact O-CG2 3.39Å; K918-V1012 HydrophobicContact CB-CG2 4.38Å; R919-V1012 HydrophobicContact CB-CG2 4.11Å; R919-V1012 PolarHBondContact NH1-O 3.28Å; W1009-V1012 VanDerWaalsContact O-CG2 3.25Å; W1009-V1012 WeakPolarHBondContact O-CG2 3.35Å; V1012-A1014 PolarHBondContact O-N 2.82Å; V1012-A1014 VanDerWaalsContact O-N 3.11Å
1013E84.6Confident79.7Confident150 Ų15079.8 Ų79.870%0.70147%0.467SS*.  trans-70108.3171.4-165.9-176.5-17800109.3N915 K1015N915-E1013 WeakPolarHBondContact CB-O 3.26Å; N915-E1013 PolarHBondContact ND2-O 2.85Å; E1013-K1015 PolarHBondContact O-N 3.29Å
1014A76.4Confident79.3Confident43 Ų4385.5 Ų85.536%0.35550%0.502SS..  trans-83.898.8177.100000109.5R916 R919 V1012R916-A1014 HydrophobicContact CB-CB 4.33Å; R919-A1014 HydrophobicContact CB-CB 4.39Å; V1012-A1014 PolarHBondContact O-N 2.82Å; V1012-A1014 VanDerWaalsContact O-N 3.11Å
1015K73.2Confident79Confident149 Ų14981.7 Ų81.765%0.64848%0.483SS*.  trans-67.2143.7166.8-68-177179.1179.80109.7E1013E1013-K1015 PolarHBondContact O-N 3.29Å
1016A66.9Low79Confident74 Ų7482.5 Ų82.561%0.61249%0.491SS*.  trans-54.9149.4170.200000110.5F1018A1016-F1018 PolarHBondContact O-N 3.33Å
1017L66.4Low79Confident46 Ų4683 Ų8324%0.24150%0.499CS..SBendtrans-48.6-35.8177.3-109.3143.6000112.3D887 R916D887-L1017 HydrophobicContact CB-CD1 3.82Å; R916-L1017 VanDerWaalsContact CZ-CD1 3.43Å; R916-L1017 VanDerWaalsContact NE-CG 3.32Å
1018F65.7Low79.3Confident97 Ų9779.7 Ų79.743%0.42547%0.467SS..  trans-136.2129.9176.5-62.3-87.4000109.8A1016 R1038A1016-F1018 PolarHBondContact O-N 3.33Å; F1018-R1038 HydrophobicContact CD2-CG 4.49Å; F1018-R1038 HydrophobicContact CE2-CG 3.87Å; F1018-R1038 HydrophobicContact CZ-CG 4.01Å
1019S54.6Low79.3Confident106 Ų10673.6 Ų73.674%0.74144%0.439SS*.  trans-119.2103.7177.860.90000109.9
1020G58.1Low79.3Confident76 Ų7676 Ų7678%0.78445%0.448SS*.SBendtrans74.3134.6176.600000113.7
1021G64.6Low79.4Confident41 Ų4176.8 Ų76.842%0.42345%0.447SS..  trans-73.8149.2172.800000111.2D1023G1021-D1023 PolarHBondContact O-N 3.11Å
1022D76Confident79.6Confident69 Ų6968.8 Ų68.837%0.36941%0.41SS..  trans-74.3105.9166.4178.41.1000108.4T1024 K1025D1022-T1024 PolarHBondContact O-N 3.03Å; D1022-T1024 VanDerWaalsContact O-N 3.11Å; D1022-T1024 VanDerWaalsContact OD1-CB 3.27Å; D1022-T1024 WeakPolarHBondContact OD1-CB 3.03Å; D1022-T1024 WeakPolarHBondContact OD1-CG2 3.31Å; D1022-T1024 PolarHBondContact OD1-N 2.87Å; D1022-T1024 PolarHBondContact OD1-OG1 3.37Å; D1022-T1024 PolarHBondContact OD2-OG1 3.05Å; D1022-T1024 VanDerWaalsContact OD2-OG1 3.06Å; D1022-K1025 HydrophobicContact CB-CD 3.99Å; D1022-K1025 HydrophobicContact CB-CG 4.08Å; D1022-K1025 WeakPolarHBondContact O-CB 3.38Å; D1022-K1025 PolarHBondContact O-N 3.02Å; D1022-K1025 WeakPolarHBondContact OD2-CE 3.18Å
1023D78.4Confident79.8Confident138 Ų13868.3 Ų68.374%0.73841%0.406SS*.THydrogen-bonded Turntrans-63.3-14.2-179.9-73.8-25.2000113.1G1021 K1025G1021-D1023 PolarHBondContact O-N 3.11Å; D1023-K1025 PolarHBondContact O-N 2.85Å
1024T84.7Confident80.1Confident121 Ų12163 Ų6374%0.74238%0.381SS*.THydrogen-bonded Turntrans-74.3-16.1173.674.70000112.9D1022D1022-T1024 PolarHBondContact O-N 3.03Å; D1022-T1024 VanDerWaalsContact O-N 3.11Å; D1022-T1024 VanDerWaalsContact OD1-CB 3.27Å; D1022-T1024 WeakPolarHBondContact OD1-CB 3.03Å; D1022-T1024 WeakPolarHBondContact OD1-CG2 3.31Å; D1022-T1024 PolarHBondContact OD1-N 2.87Å; D1022-T1024 PolarHBondContact OD1-OG1 3.37Å; D1022-T1024 PolarHBondContact OD2-OG1 3.05Å; D1022-T1024 VanDerWaalsContact OD2-OG1 3.06Å
1025K88.4Confident80.8Confident55 Ų5561.5 Ų61.524%0.23937%0.368CS..SBendtrans-84.3144.8176.9-63.8177.5-174.3168.90111.4D1022 D1023 I1029 R1030 E1034 Y1066D1022-K1025 HydrophobicContact CB-CD 3.99Å; D1022-K1025 HydrophobicContact CB-CG 4.08Å; D1022-K1025 WeakPolarHBondContact O-CB 3.38Å; D1022-K1025 PolarHBondContact O-N 3.02Å; D1022-K1025 WeakPolarHBondContact OD2-CE 3.18Å; D1023-K1025 PolarHBondContact O-N 2.85Å; K1025-I1029 HydrophobicContact CB-CB 4.41Å; K1025-I1029 HydrophobicContact CB-CG2 4.36Å; K1025-I1029 HydrophobicContact CD-CG2 4.18Å; K1025-R1030 PolarHBondContact O-NH2 3Å; K1025-E1034 VanDerWaalsContact CD-OE1 3.27Å; K1025-E1034 WeakPolarHBondContact CD-OE1 3.1Å; K1025-E1034 IonicContact NZ-OE1 3.64Å; K1025-E1034 PolarHBondContact NZ-OE1 3.49Å; K1025-Y1066 HydrophobicContact CD-CD1 4.45Å; K1025-Y1066 HydrophobicContact CG-CD1 4.21Å; K1025-Y1066 HydrophobicContact CG-CE1 4.24Å
1026P91.3Very high81.6Confident61 Ų6157.6 Ų57.640%0.39636%0.357SS..  trans-55.5145.7173.6-22.330.8000112.4Y1028 I1029 R1030 Y1066P1026-Y1028 VanDerWaalsContact C-N 3.31Å; P1026-Y1028 PolarHBondContact O-N 2.62Å; P1026-I1029 HydrophobicContact CB-CG1 4.04Å; P1026-I1029 HydrophobicContact CG-CG1 4.04Å; P1026-I1029 WeakPolarHBondContact O-CA 3.37Å; P1026-I1029 WeakPolarHBondContact O-CB 3.38Å; P1026-I1029 PolarHBondContact O-N 3.42Å; P1026-R1030 PolarHBondContact O-N 3.42Å; P1026-Y1066 WeakPolarHBondContact CD-OH 3.44Å; P1026-Y1066 HydrophobicContact CG-CE2 4.49Å
1027A91.7Very high82.6Confident45 Ų4556.4 Ų56.437%0.37234%0.34SS..Hα-helixtrans-52.5-45.9-177.200000112.9I1029 R1030 N1031 N1052A1027-I1029 VanDerWaalsContact C-N 3.25Å; A1027-I1029 PolarHBondContact O-N 3.34Å; A1027-R1030 PolarHBondContact O-N 3.42Å; A1027-R1030 VanDerWaalsContact O-N 3.15Å; A1027-N1031 VanDerWaalsContact O-CB 3.3Å; A1027-N1031 WeakPolarHBondContact O-CB 3.31Å; A1027-N1031 PolarHBondContact O-N 3.46Å; A1027-N1031 PolarHBondContact O-ND2 2.85Å; A1027-N1052 VanDerWaalsContact C-OD1 3.25Å; A1027-N1052 PolarHBondContact O-OD1 3.04Å
1028Y93Very high83.6Confident20 Ų2056.2 Ų56.28%0.07834%0.336CS..Hα-helixtrans-55.1-39.2175.4179.9-84.1000112.9P1026 I1032 L1033 N1052 M1054 M1059 P1060 T1063P1026-Y1028 VanDerWaalsContact C-N 3.31Å; P1026-Y1028 PolarHBondContact O-N 2.62Å; Y1028-I1032 HydrophobicContact CD2-CB 4.22Å; Y1028-I1032 HydrophobicContact CD2-CG1 4.14Å; Y1028-I1032 HydrophobicContact CE2-CB 4.15Å; Y1028-I1032 HydrophobicContact CE2-CG1 4.33Å; Y1028-I1032 HydrophobicContact CE2-CG2 4.04Å; Y1028-I1032 HydrophobicContact CG-CB 4.49Å; Y1028-I1032 WeakPolarHBondContact O-CA 3.25Å; Y1028-I1032 VanDerWaalsContact O-CB 3.3Å; Y1028-I1032 WeakPolarHBondContact O-CB 3.36Å; Y1028-I1032 PolarHBondContact O-N 3.39Å; Y1028-L1033 HydrophobicContact CE1-CB 4.27Å; Y1028-L1033 PolarHBondContact O-N 2.82Å; Y1028-N1052 HydrophobicContact CD2-CB 4.43Å; Y1028-N1052 PolarHBondContact N-OD1 2.69Å; Y1028-M1054 HydrophobicContact CD2-CG 4.44Å; Y1028-M1054 HydrophobicContact CE2-CG 3.93Å; Y1028-M1054 HydrophobicContact CE2-SD 3.77Å; Y1028-M1059 WeakPolarHBondContact OH-CE 3.39Å; Y1028-P1060 HydrophobicContact CD1-CG 3.34Å; Y1028-P1060 HydrophobicContact CD2-CG 4Å; Y1028-P1060 HydrophobicContact CE1-CG 3.74Å; Y1028-P1060 HydrophobicContact CE2-CG 4.31Å; Y1028-P1060 HydrophobicContact CG-CG 3.5Å; Y1028-T1063 HydrophobicContact CD1-CG2 4.23Å; Y1028-T1063 HydrophobicContact CE1-CG2 3.99Å
1029I92.8Very high84.7Confident4 Ų456.3 Ų56.32%0.02134%0.338CS..Iπ-helixtrans-65.5-50179.4-57.9-62.6000109.7K1025 P1026 A1027 L1033 E1034 T1063 Y1066K1025-I1029 HydrophobicContact CB-CB 4.41Å; K1025-I1029 HydrophobicContact CB-CG2 4.36Å; K1025-I1029 HydrophobicContact CD-CG2 4.18Å; P1026-I1029 HydrophobicContact CB-CG1 4.04Å; P1026-I1029 HydrophobicContact CG-CG1 4.04Å; P1026-I1029 WeakPolarHBondContact O-CA 3.37Å; P1026-I1029 WeakPolarHBondContact O-CB 3.38Å; P1026-I1029 PolarHBondContact O-N 3.42Å; A1027-I1029 VanDerWaalsContact C-N 3.25Å; A1027-I1029 PolarHBondContact O-N 3.34Å; I1029-L1033 HydrophobicContact CD1-CB 4.4Å; I1029-L1033 HydrophobicContact CD1-CD2 3.58Å; I1029-L1033 HydrophobicContact CG2-CD2 4.25Å; I1029-L1033 PolarHBondContact O-N 3.05Å; I1029-E1034 HydrophobicContact CG2-CG 4.21Å; I1029-E1034 WeakPolarHBondContact O-CB 3.49Å; I1029-E1034 WeakPolarHBondContact O-CG 3.08Å; I1029-E1034 PolarHBondContact O-N 3.37Å; I1029-T1063 HydrophobicContact CD1-CG2 3.79Å; I1029-Y1066 HydrophobicContact CD1-CD2 3.56Å; I1029-Y1066 HydrophobicContact CD1-CE2 4.09Å; I1029-Y1066 HydrophobicContact CD1-CG 4.06Å; I1029-Y1066 HydrophobicContact CG1-CD2 3.81Å; I1029-Y1066 HydrophobicContact CG1-CE2 4.03Å; I1029-Y1066 HydrophobicContact CG1-CG 4.08Å; I1029-Y1066 HydrophobicContact CG2-CD1 4.16Å; I1029-Y1066 HydrophobicContact CG2-CD2 4.46Å; I1029-Y1066 HydrophobicContact CG2-CG 3.89Å
1030R91.2Very high86.4Confident62 Ų6254.6 Ų54.623%0.23432%0.318CS..Iπ-helixtrans-67.8-42.2-176-163.4-161.8-43.51223.2113.1K1025 P1026 A1027 P1035K1025-R1030 PolarHBondContact O-NH2 3Å; P1026-R1030 PolarHBondContact O-N 3.42Å; A1027-R1030 PolarHBondContact O-N 3.42Å; A1027-R1030 VanDerWaalsContact O-N 3.15Å; R1030-P1035 VanDerWaalsContact O-CD 3.24Å; R1030-P1035 WeakPolarHBondContact O-CD 3.39Å
1031N92.5Very high88Confident49 Ų4952.3 Ų52.326%0.26230%0.295SS..Iπ-helixtrans-97.3-23.4-168.4-59.1-19.7000113A1027 P1035 L1044 N1052A1027-N1031 VanDerWaalsContact O-CB 3.3Å; A1027-N1031 WeakPolarHBondContact O-CB 3.31Å; A1027-N1031 PolarHBondContact O-N 3.46Å; A1027-N1031 PolarHBondContact O-ND2 2.85Å; N1031-P1035 WeakPolarHBondContact O-CG 3.44Å; N1031-L1044 VanDerWaalsContact O-CD2 3.26Å; N1031-L1044 WeakPolarHBondContact O-CD2 3.33Å; N1031-N1052 PolarHBondContact ND2-OD1 3.23Å
1032I93.7Very high89.3Confident6 Ų655 Ų553%0.03130%0.299CS..Iπ-helixtrans-117.9-61.6-178.9-53.9-61.1000111Y1028 E1034 P1035 V1036 L1044 L1049 N1052 M1054Y1028-I1032 HydrophobicContact CD2-CB 4.22Å; Y1028-I1032 HydrophobicContact CD2-CG1 4.14Å; Y1028-I1032 HydrophobicContact CE2-CB 4.15Å; Y1028-I1032 HydrophobicContact CE2-CG1 4.33Å; Y1028-I1032 HydrophobicContact CE2-CG2 4.04Å; Y1028-I1032 HydrophobicContact CG-CB 4.49Å; Y1028-I1032 WeakPolarHBondContact O-CA 3.25Å; Y1028-I1032 VanDerWaalsContact O-CB 3.3Å; Y1028-I1032 WeakPolarHBondContact O-CB 3.36Å; Y1028-I1032 PolarHBondContact O-N 3.39Å; I1032-E1034 PolarHBondContact O-N 3.43Å; I1032-P1035 WeakPolarHBondContact O-CD 3.27Å; I1032-V1036 HydrophobicContact CG2-CG2 4.4Å; I1032-V1036 VanDerWaalsContact O-CB 3.31Å; I1032-V1036 WeakPolarHBondContact O-CB 3.48Å; I1032-V1036 WeakPolarHBondContact O-CG2 3.34Å; I1032-V1036 PolarHBondContact O-N 3.07Å; I1032-L1044 HydrophobicContact CD1-CD1 4.06Å; I1032-L1049 HydrophobicContact CD1-CD2 3.94Å; I1032-N1052 HydrophobicContact CD1-CB 4.04Å; I1032-N1052 HydrophobicContact CG1-CB 3.57Å; I1032-M1054 HydrophobicContact CB-SD 4.46Å; I1032-M1054 HydrophobicContact CD1-SD 4.24Å; I1032-M1054 HydrophobicContact CG1-SD 4.07Å; I1032-M1054 HydrophobicContact CG2-SD 3.69Å
1033L92Very high90.1Very high23 Ų2356.8 Ų56.812%0.1231%0.305CS..Iπ-helixtrans-62.6-48-170.8-176.369.7000112.1Y1028 I1029 V1036 N1037Y1028-L1033 HydrophobicContact CE1-CB 4.27Å; Y1028-L1033 PolarHBondContact O-N 2.82Å; I1029-L1033 HydrophobicContact CD1-CB 4.4Å; I1029-L1033 HydrophobicContact CD1-CD2 3.58Å; I1029-L1033 HydrophobicContact CG2-CD2 4.25Å; I1029-L1033 PolarHBondContact O-N 3.05Å; L1033-V1036 PolarHBondContact O-N 3Å; L1033-N1037 VanDerWaalsContact O-CB 3.27Å; L1033-N1037 WeakPolarHBondContact O-CB 3.4Å; L1033-N1037 PolarHBondContact O-N 3.49Å; L1033-N1037 PolarHBondContact O-ND2 3.45Å
1034E90.3Very high90.9Very high37 Ų3751.6 Ų51.617%0.17328%0.278CS..Hα-helixtrans-66-49.6-177.9-73.8-178.5170.200112.3K1025 I1029 I1032 V1036 N1037 R1038K1025-E1034 VanDerWaalsContact CD-OE1 3.27Å; K1025-E1034 WeakPolarHBondContact CD-OE1 3.1Å; K1025-E1034 IonicContact NZ-OE1 3.64Å; K1025-E1034 PolarHBondContact NZ-OE1 3.49Å; I1029-E1034 HydrophobicContact CG2-CG 4.21Å; I1029-E1034 WeakPolarHBondContact O-CB 3.49Å; I1029-E1034 WeakPolarHBondContact O-CG 3.08Å; I1029-E1034 PolarHBondContact O-N 3.37Å; I1032-E1034 PolarHBondContact O-N 3.43Å; E1034-V1036 PolarHBondContact O-N 2.73Å; E1034-N1037 PolarHBondContact O-N 3.29Å; E1034-R1038 VanDerWaalsContact O-CG 3.31Å; E1034-R1038 WeakPolarHBondContact O-CG 3.38Å; E1034-R1038 PolarHBondContact O-N 2.88Å
1035P91.2Very high91.4Very high13 Ų1346.2 Ų46.28%0.08425%0.245CC..Hα-helixtrans-57-44172.4-27.334.9000113.5R1030 N1031 I1032 N1037 R1038 Q1039 E1040 L1044R1030-P1035 VanDerWaalsContact O-CD 3.24Å; R1030-P1035 WeakPolarHBondContact O-CD 3.39Å; N1031-P1035 WeakPolarHBondContact O-CG 3.44Å; I1032-P1035 WeakPolarHBondContact O-CD 3.27Å; P1035-N1037 PolarHBondContact O-N 3.29Å; P1035-R1038 PolarHBondContact O-N 3.5Å; P1035-R1038 VanDerWaalsContact O-N 3.14Å; P1035-Q1039 PolarHBondContact O-N 3.33Å; P1035-E1040 HydrophobicContact CB-CB 4.29Å; P1035-E1040 WeakPolarHBondContact O-CA 2.92Å; P1035-E1040 WeakPolarHBondContact O-CB 3.23Å; P1035-E1040 PolarHBondContact O-N 2.9Å; P1035-L1044 HydrophobicContact CB-CD2 4.06Å; P1035-L1044 HydrophobicContact CG-CD2 4.31Å
1036V91.2Very high91.8Very high67 Ų6745.7 Ų45.741%0.40625%0.246SC..Hα-helixtrans-61.9-451771700000111I1032 L1033 E1034 R1038 Q1039 L1044I1032-V1036 HydrophobicContact CG2-CG2 4.4Å; I1032-V1036 VanDerWaalsContact O-CB 3.31Å; I1032-V1036 WeakPolarHBondContact O-CB 3.48Å; I1032-V1036 WeakPolarHBondContact O-CG2 3.34Å; I1032-V1036 PolarHBondContact O-N 3.07Å; L1033-V1036 PolarHBondContact O-N 3Å; E1034-V1036 PolarHBondContact O-N 2.73Å; V1036-R1038 PolarHBondContact O-N 2.8Å; V1036-Q1039 PolarHBondContact O-N 3.35Å; V1036-L1044 HydrophobicContact CG2-CD1 3.97Å
1037N87.6Confident92Very high48 Ų4845.2 Ų45.226%0.25724%0.24SC..Hα-helixtrans-61.9-27.4177-78.7-18.7000112.8Y886 L1033 E1034 P1035 Q1039Y886-N1037 VanDerWaalsContact CE1-O 3.28Å; Y886-N1037 WeakPolarHBondContact CE1-O 3.18Å; L1033-N1037 VanDerWaalsContact O-CB 3.27Å; L1033-N1037 WeakPolarHBondContact O-CB 3.4Å; L1033-N1037 PolarHBondContact O-N 3.49Å; L1033-N1037 PolarHBondContact O-ND2 3.45Å; E1034-N1037 PolarHBondContact O-N 3.29Å; P1035-N1037 PolarHBondContact O-N 3.29Å; N1037-Q1039 VanDerWaalsContact C-N 3.31Å
1038R87.2Confident92.2Very high42 Ų4245.4 Ų45.416%0.15824%0.235CC..THydrogen-bonded Turntrans-84.43175.2-68-172.9-57.3-104.55.6114.7F1018 E1034 P1035 V1036 E1040F1018-R1038 HydrophobicContact CD2-CG 4.49Å; F1018-R1038 HydrophobicContact CE2-CG 3.87Å; F1018-R1038 HydrophobicContact CZ-CG 4.01Å; E1034-R1038 VanDerWaalsContact O-CG 3.31Å; E1034-R1038 WeakPolarHBondContact O-CG 3.38Å; E1034-R1038 PolarHBondContact O-N 2.88Å; P1035-R1038 PolarHBondContact O-N 3.5Å; P1035-R1038 VanDerWaalsContact O-N 3.14Å; V1036-R1038 PolarHBondContact O-N 2.8Å; R1038-E1040 VanDerWaalsContact C-N 3.26Å; R1038-E1040 HydrophobicContact CB-CG 4.07Å; R1038-E1040 IonicContact CZ-OE2 3.91Å; R1038-E1040 IonicContact NE-OE1 2.8Å; R1038-E1040 IonicContact NE-OE2 3Å; R1038-E1040 PolarHBondContact NE-OE2 2.87Å; R1038-E1040 IonicContact NH2-OE2 2.65Å; R1038-E1040 PolarHBondContact NH2-OE2 2.91Å; R1038-E1040 PolarHBondContact O-N 2.87Å
1039Q88.3Confident92.4Very high99 Ų9947.8 Ų47.846%0.46325%0.249SC..THydrogen-bonded Turntrans6625.4-172-51.6-63.1-54.200113.8L851 Y886 P1035 V1036 N1037L851-Q1039 VanDerWaalsContact CD2-CD 3.44Å; L851-Q1039 HydrophobicContact CD2-CG 3.44Å; L851-Q1039 VanDerWaalsContact CD2-CG 3.44Å; Y886-Q1039 HydrophobicContact CD1-CG 3.96Å; Y886-Q1039 HydrophobicContact CE1-CG 3.89Å; P1035-Q1039 PolarHBondContact O-N 3.33Å; V1036-Q1039 PolarHBondContact O-N 3.35Å; N1037-Q1039 VanDerWaalsContact C-N 3.31Å
1040E91.1Very high92.4Very high71 Ų7150.7 Ų50.733%0.33226%0.264SS..  trans-101.25.1177.6-63.8169.1174.500112.3P1035 R1038 N1042 Q1043P1035-E1040 HydrophobicContact CB-CB 4.29Å; P1035-E1040 WeakPolarHBondContact O-CA 2.92Å; P1035-E1040 WeakPolarHBondContact O-CB 3.23Å; P1035-E1040 PolarHBondContact O-N 2.9Å; R1038-E1040 VanDerWaalsContact C-N 3.26Å; R1038-E1040 HydrophobicContact CB-CG 4.07Å; R1038-E1040 IonicContact CZ-OE2 3.91Å; R1038-E1040 IonicContact NE-OE1 2.8Å; R1038-E1040 IonicContact NE-OE2 3Å; R1038-E1040 PolarHBondContact NE-OE2 2.87Å; R1038-E1040 IonicContact NH2-OE2 2.65Å; R1038-E1040 PolarHBondContact NH2-OE2 2.91Å; R1038-E1040 PolarHBondContact O-N 2.87Å; E1040-N1042 PolarHBondContact O-N 2.78Å; E1040-Q1043 WeakPolarHBondContact O-CB 3.13Å; E1040-Q1043 PolarHBondContact O-N 3.24Å
1041G91.5Very high92.6Very high28 Ų2854.3 Ų54.329%0.28928%0.283SS..G310 helixtrans-56.8-23.6-178.500000114.6Q1043 L1044G1041-Q1043 PolarHBondContact O-N 3.1Å; G1041-L1044 PolarHBondContact O-N 3.21Å
1042N91.3Very high92.7Very high98 Ų9852.8 Ų52.852%0.52428%0.275SS..G310 helixtrans-65.8-21.9174.6-76.4-24.5000113.7K754 E1040K754-N1042 VanDerWaalsContact CE-OD1 3.26Å; K754-N1042 WeakPolarHBondContact CE-OD1 3.4Å; K754-N1042 PolarHBondContact NZ-O 3.2Å; E1040-N1042 PolarHBondContact O-N 2.78Å
1043Q92Very high92.7Very high105 Ų10554.6 Ų54.649%0.49130%0.296SS..G310 helixtrans-90.2-8.9-179-53.3-55.7-25.300113.3E1040 G1041 S1045E1040-Q1043 WeakPolarHBondContact O-CB 3.13Å; E1040-Q1043 PolarHBondContact O-N 3.24Å; G1041-Q1043 PolarHBondContact O-N 3.1Å; Q1043-S1045 PolarHBondContact O-N 2.98Å
1044L95.2Very high92.7Very high30 Ų3055.5 Ų55.516%0.15730%0.3CS..  trans-67.2132.6176-62177.8000109.9N1031 I1032 P1035 V1036 G1041 D1048N1031-L1044 VanDerWaalsContact O-CD2 3.26Å; N1031-L1044 WeakPolarHBondContact O-CD2 3.33Å; I1032-L1044 HydrophobicContact CD1-CD1 4.06Å; P1035-L1044 HydrophobicContact CB-CD2 4.06Å; P1035-L1044 HydrophobicContact CG-CD2 4.31Å; V1036-L1044 HydrophobicContact CG2-CD1 3.97Å; G1041-L1044 PolarHBondContact O-N 3.21Å; L1044-D1048 WeakPolarHBondContact CA-OD2 3.48Å; L1044-D1048 HydrophobicContact CB-CB 4.44Å
1045S96.3Very high92.7Very high8 Ų860.3 Ų60.36%0.05633%0.326CS..BIsolated β-bridgetrans-80.1167.6176.383.90000112I784 D786 Q1043 N1047 D1048 L1049I784-S1045 CarbonylContact O-C 3.52Å; I784-S1045 VanDerWaalsContact O-CA 3.31Å; I784-S1045 WeakPolarHBondContact O-CA 3.45Å; D786-S1045 VanDerWaalsContact CG-CB 3.5Å; D786-S1045 VanDerWaalsContact CG-OG 3.24Å; D786-S1045 WeakPolarHBondContact OD1-CB 3.37Å; D786-S1045 PolarHBondContact OD1-OG 3.46Å; D786-S1045 VanDerWaalsContact OD2-CB 3.23Å; D786-S1045 WeakPolarHBondContact OD2-CB 3.18Å; D786-S1045 PolarHBondContact OD2-OG 3Å; Q1043-S1045 PolarHBondContact O-N 2.98Å; S1045-N1047 VanDerWaalsContact C-N 3.27Å; S1045-N1047 PolarHBondContact O-N 3.48Å; S1045-N1047 PolarHBondContact OG-N 3.39Å; S1045-D1048 PolarHBondContact N-OD2 3.13Å; S1045-D1048 WeakPolarHBondContact O-CB 3.47Å; S1045-D1048 PolarHBondContact O-N 2.95Å; S1045-D1048 PolarHBondContact OG-N 3.3Å; S1045-D1048 VanDerWaalsContact OG-N 3.07Å; S1045-D1048 PolarHBondContact OG-OD2 2.9Å; S1045-L1049 PolarHBondContact O-N 2.93Å
1046V96.2Very high92.7Very high44 Ų4462.3 Ų62.327%0.26735%0.348SS..Hα-helixtrans-61.1-40.4172.1175.40000110.4I783 I784 D785 D786 V787 L1049 I1050I783-V1046 HydrophobicContact CD1-CG2 4.3Å; I784-V1046 PolarHBondContact O-N 2.97Å; D785-V1046 HydrophobicContact CB-CG2 3.98Å; D786-V1046 PolarHBondContact OD1-N 3.19Å; V787-V1046 HydrophobicContact CB-CG1 4.22Å; V787-V1046 HydrophobicContact CG2-CB 4.14Å; V787-V1046 HydrophobicContact CG2-CG1 3.83Å; V1046-L1049 PolarHBondContact O-N 3.48Å; V1046-I1050 HydrophobicContact CG1-CD1 4.35Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.34Å; V1046-I1050 PolarHBondContact O-N 3.47Å
1047N96.7Very high92.5Very high50 Ų5060.2 Ų60.227%0.26734%0.34SS..Hα-helixtrans-67-35.8178.5-16756.3000112.6D786 V787 S1045 L1049 I1050 E1051D786-N1047 VanDerWaalsContact CG-CB 3.46Å; D786-N1047 WeakPolarHBondContact OD1-CB 3.48Å; D786-N1047 PolarHBondContact OD1-N 3.1Å; D786-N1047 VanDerWaalsContact OD2-CB 3.26Å; D786-N1047 WeakPolarHBondContact OD2-CB 3.43Å; V787-N1047 HydrophobicContact CG2-CB 3.69Å; S1045-N1047 VanDerWaalsContact C-N 3.27Å; S1045-N1047 PolarHBondContact O-N 3.48Å; S1045-N1047 PolarHBondContact OG-N 3.39Å; N1047-L1049 PolarHBondContact O-N 2.91Å; N1047-I1050 PolarHBondContact O-N 3.45Å; N1047-E1051 VanDerWaalsContact ND2-CD 3.29Å; N1047-E1051 PolarHBondContact ND2-OE1 3.29Å; N1047-E1051 PolarHBondContact O-N 2.81Å
1048D95.9Very high92.6Very high49 Ų4962.7 Ų62.726%0.26236%0.357SS..Hα-helixtrans-54.1-41.9174-71.6-34.9000111L1044 S1045 N1052L1044-D1048 WeakPolarHBondContact CA-OD2 3.48Å; L1044-D1048 HydrophobicContact CB-CB 4.44Å; S1045-D1048 PolarHBondContact N-OD2 3.13Å; S1045-D1048 WeakPolarHBondContact O-CB 3.47Å; S1045-D1048 PolarHBondContact O-N 2.95Å; S1045-D1048 PolarHBondContact OG-N 3.3Å; S1045-D1048 VanDerWaalsContact OG-N 3.07Å; S1045-D1048 PolarHBondContact OG-OD2 2.9Å; D1048-N1052 WeakPolarHBondContact O-CB 3.02Å; D1048-N1052 PolarHBondContact O-N 3.33Å; D1048-N1052 PolarHBondContact O-ND2 3.25Å
1049L95.4Very high92.8Very high70 Ų7066.5 Ų66.537%0.36638%0.378SS..Hα-helixtrans-67.2-39.7177.5-56.5-176.9000112I1032 S1045 V1046 N1047 G1053 M1054I1032-L1049 HydrophobicContact CD1-CD2 3.94Å; S1045-L1049 PolarHBondContact O-N 2.93Å; V1046-L1049 PolarHBondContact O-N 3.48Å; N1047-L1049 PolarHBondContact O-N 2.91Å; L1049-G1053 PolarHBondContact O-N 3.08Å; L1049-M1054 HydrophobicContact CB-CB 4.27Å; L1049-M1054 HydrophobicContact CD2-SD 3.92Å; L1049-M1054 WeakPolarHBondContact O-CA 3.27Å; L1049-M1054 VanDerWaalsContact O-CB 3.32Å; L1049-M1054 WeakPolarHBondContact O-CB 3.24Å; L1049-M1054 PolarHBondContact O-N 3.5Å
1050I94.7Very high92.9Very high66 Ų6664.7 Ų64.734%0.33838%0.375SS..Hα-helixtrans-66.3-51.5179.7-64.6178.6000110.6V787 V1046 N1047 N1052 G1053 L1055V787-I1050 HydrophobicContact CG1-CD1 4.28Å; V787-I1050 HydrophobicContact CG2-CD1 3.83Å; V1046-I1050 HydrophobicContact CG1-CD1 4.35Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.34Å; V1046-I1050 PolarHBondContact O-N 3.47Å; N1047-I1050 PolarHBondContact O-N 3.45Å; I1050-N1052 PolarHBondContact O-N 3.42Å; I1050-G1053 PolarHBondContact O-N 2.89Å; I1050-L1055 HydrophobicContact CD1-CD1 4.43Å; I1050-L1055 HydrophobicContact CG1-CD1 4.16Å
1051E95.1Very high93Very high137 Ų13767.2 Ų67.264%0.6440%0.401SS*.Hα-helixtrans-62.3-28.1-177.7-71.6-171.9175.300112.7N1047 G1053N1047-E1051 VanDerWaalsContact ND2-CD 3.29Å; N1047-E1051 PolarHBondContact ND2-OE1 3.29Å; N1047-E1051 PolarHBondContact O-N 2.81Å; E1051-G1053 VanDerWaalsContact C-N 3.34Å
1052N94.3Very high92.9Very high17 Ų1768.6 Ų68.69%0.09141%0.414CS..THydrogen-bonded Turntrans-95.517.6178.1-65.6-82.3000113.3A1027 Y1028 N1031 I1032 D1048 I1050A1027-N1052 VanDerWaalsContact C-OD1 3.25Å; A1027-N1052 PolarHBondContact O-OD1 3.04Å; Y1028-N1052 HydrophobicContact CD2-CB 4.43Å; Y1028-N1052 PolarHBondContact N-OD1 2.69Å; N1031-N1052 PolarHBondContact ND2-OD1 3.23Å; I1032-N1052 HydrophobicContact CD1-CB 4.04Å; I1032-N1052 HydrophobicContact CG1-CB 3.57Å; D1048-N1052 WeakPolarHBondContact O-CB 3.02Å; D1048-N1052 PolarHBondContact O-N 3.33Å; D1048-N1052 PolarHBondContact O-ND2 3.25Å; I1050-N1052 PolarHBondContact O-N 3.42Å
1053G92.4Very high92.8Very high45 Ų4565.6 Ų65.646%0.46440%0.4SS..THydrogen-bonded Turntrans79.215.916800000115.4L1049 I1050 E1051L1049-G1053 PolarHBondContact O-N 3.08Å; I1050-G1053 PolarHBondContact O-N 2.89Å; E1051-G1053 VanDerWaalsContact C-N 3.34Å
1054M93.6Very high92.5Very high42 Ų4264 Ų6421%0.20740%0.404CS..  trans-91.47.5-176.6-59.5-174.869.900114.3Y1028 I1032 L1049 G1056 G1057Y1028-M1054 HydrophobicContact CD2-CG 4.44Å; Y1028-M1054 HydrophobicContact CE2-CG 3.93Å; Y1028-M1054 HydrophobicContact CE2-SD 3.77Å; I1032-M1054 HydrophobicContact CB-SD 4.46Å; I1032-M1054 HydrophobicContact CD1-SD 4.24Å; I1032-M1054 HydrophobicContact CG1-SD 4.07Å; I1032-M1054 HydrophobicContact CG2-SD 3.69Å; L1049-M1054 HydrophobicContact CB-CB 4.27Å; L1049-M1054 HydrophobicContact CD2-SD 3.92Å; L1049-M1054 WeakPolarHBondContact O-CA 3.27Å; L1049-M1054 VanDerWaalsContact O-CB 3.32Å; L1049-M1054 WeakPolarHBondContact O-CB 3.24Å; L1049-M1054 PolarHBondContact O-N 3.5Å; M1054-G1056 VanDerWaalsContact C-N 3.27Å; M1054-G1056 PolarHBondContact O-N 2.93Å; M1054-G1057 PolarHBondContact O-N 2.99Å
1055L89.8Confident92.1Very high138 Ų13865.7 Ų65.772%0.72342%0.423SS*.THydrogen-bonded Turntrans-49.5-46.7179.4-172.995.3000112.5I1050I1050-L1055 HydrophobicContact CD1-CD1 4.43Å; I1050-L1055 HydrophobicContact CG1-CD1 4.16Å
1056G90.2Very high91.6Very high54 Ų5470 Ų7056%0.55744%0.438SS*.THydrogen-bonded Turntrans-93.79.8177.100000114.6M1054 V1058M1054-G1056 VanDerWaalsContact C-N 3.27Å; M1054-G1056 PolarHBondContact O-N 2.93Å; G1056-V1058 VanDerWaalsContact C-N 3.33Å
1057G87.4Confident90.8Very high23 Ų2370.4 Ų70.424%0.23744%0.438CS..  trans75.315.7-17300000115N527 M1054N527-G1057 WeakPolarHBondContact O-CA 3.44Å; M1054-G1057 PolarHBondContact O-N 2.99Å
1058V90.4Very high89.9Confident100 Ų10076.6 Ų76.661%0.60646%0.462SS*.  trans-70.1135178.2-179.60000110.1G1056G1056-V1058 VanDerWaalsContact C-N 3.33Å
1059M90.1Very high89Confident122 Ų12276.8 Ų76.860%0.60146%0.459SS*.  trans-121.9137.6173.4-60.7175.67800109.6Y1028Y1028-M1059 WeakPolarHBondContact OH-CE 3.39Å
1060P91.5Very high88Confident61 Ų6176.5 Ų76.540%0.39647%0.473SS..  trans-66.3147.5175.626.5-31.8000111.3Y1028 T1063Y1028-P1060 HydrophobicContact CD1-CG 3.34Å; Y1028-P1060 HydrophobicContact CD2-CG 4Å; Y1028-P1060 HydrophobicContact CE1-CG 3.74Å; Y1028-P1060 HydrophobicContact CE2-CG 4.31Å; Y1028-P1060 HydrophobicContact CG-CG 3.5Å; P1060-T1063 HydrophobicContact CB-CG2 4.49Å; P1060-T1063 HydrophobicContact CG-CG2 3.85Å; P1060-T1063 WeakPolarHBondContact O-CG2 3.38Å
1061S92.2Very high87Confident125 Ų12575.3 Ų75.387%0.87447%0.467SS*.THydrogen-bonded Turntrans-78.5156.5174-67.30000111.7T1063S1061-T1063 VanDerWaalsContact C-N 3.35Å; S1061-T1063 PolarHBondContact O-N 3.14Å
1062G89.9Confident85.9Confident56 Ų5672.1 Ų72.158%0.57746%0.464SS*.THydrogen-bonded Turntrans77.412172.700000115.8A1064 A1065G1062-A1064 PolarHBondContact O-N 2.96Å; G1062-A1065 WeakPolarHBondContact O-CB 3.32Å; G1062-A1065 PolarHBondContact O-N 3.26Å; G1062-A1065 VanDerWaalsContact O-N 3.16Å
1063T89Confident84.6Confident36 Ų3677.5 Ų77.522%0.22149%0.492CS..G310 helixtrans-59.4-27.318053.10000113.7Y1028 I1029 P1060 S1061 A1065 Y1066Y1028-T1063 HydrophobicContact CD1-CG2 4.23Å; Y1028-T1063 HydrophobicContact CE1-CG2 3.99Å; I1029-T1063 HydrophobicContact CD1-CG2 3.79Å; P1060-T1063 HydrophobicContact CB-CG2 4.49Å; P1060-T1063 HydrophobicContact CG-CG2 3.85Å; P1060-T1063 WeakPolarHBondContact O-CG2 3.38Å; S1061-T1063 VanDerWaalsContact C-N 3.35Å; S1061-T1063 PolarHBondContact O-N 3.14Å; T1063-A1065 PolarHBondContact O-N 2.93Å; T1063-A1065 VanDerWaalsContact O-N 3.11Å; T1063-Y1066 PolarHBondContact O-N 3Å
1064A85.5Confident83.7Confident70 Ų7083 Ų8358%0.57951%0.506SS*.G310 helixtrans-57.7-24.2176.800000113.7G1062 Y1066 E1067G1062-A1064 PolarHBondContact O-N 2.96Å; A1064-Y1066 PolarHBondContact O-N 3.45Å; A1064-E1067 PolarHBondContact O-N 3.41Å; A1064-E1067 VanDerWaalsContact O-N 3.15Å
1065A86.5Confident82.7Confident67 Ų6787.2 Ų87.255%0.55453%0.533SS*.G310 helixtrans-60.4-27.4175.800000112.9G1062 T1063G1062-A1065 WeakPolarHBondContact O-CB 3.32Å; G1062-A1065 PolarHBondContact O-N 3.26Å; G1062-A1065 VanDerWaalsContact O-N 3.16Å; T1063-A1065 PolarHBondContact O-N 2.93Å; T1063-A1065 VanDerWaalsContact O-N 3.11Å
1066Y86.4Confident82Confident97 Ų9786.4 Ų86.438%0.3854%0.536SS..G310 helixtrans-92.9-13.2-179.7-58.4-85.3000113K1025 P1026 I1029 T1063 A1064 K1068K1025-Y1066 HydrophobicContact CD-CD1 4.45Å; K1025-Y1066 HydrophobicContact CG-CD1 4.21Å; K1025-Y1066 HydrophobicContact CG-CE1 4.24Å; P1026-Y1066 WeakPolarHBondContact CD-OH 3.44Å; P1026-Y1066 HydrophobicContact CG-CE2 4.49Å; I1029-Y1066 HydrophobicContact CD1-CD2 3.56Å; I1029-Y1066 HydrophobicContact CD1-CE2 4.09Å; I1029-Y1066 HydrophobicContact CD1-CG 4.06Å; I1029-Y1066 HydrophobicContact CG1-CD2 3.81Å; I1029-Y1066 HydrophobicContact CG1-CE2 4.03Å; I1029-Y1066 HydrophobicContact CG1-CG 4.08Å; I1029-Y1066 HydrophobicContact CG2-CD1 4.16Å; I1029-Y1066 HydrophobicContact CG2-CD2 4.46Å; I1029-Y1066 HydrophobicContact CG2-CG 3.89Å; T1063-Y1066 PolarHBondContact O-N 3Å; A1064-Y1066 PolarHBondContact O-N 3.45Å; Y1066-K1068 PolarHBondContact O-N 3.4Å
1067E80.7Confident81.4Confident53 Ų5391.9 Ų91.925%0.24855%0.548CS..  trans-82.484.6-176.9-158.7-173.9170.300111.1K846 A1064 R1069K846-E1067 WeakPolarHBondContact CE-OE1 3.31Å; K846-E1067 IonicContact NZ-OE1 3.61Å; K846-E1067 PolarHBondContact NZ-OE1 3.41Å; K846-E1067 IonicContact NZ-OE2 3.58Å; A1064-E1067 PolarHBondContact O-N 3.41Å; A1064-E1067 VanDerWaalsContact O-N 3.15Å; E1067-R1069 HydrophobicContact CG-CG 3.7Å; E1067-R1069 PolarHBondContact O-N 2.98Å; E1067-R1069 VanDerWaalsContact OE1-CD 3.24Å; E1067-R1069 WeakPolarHBondContact OE1-CD 3.04Å; E1067-R1069 IonicContact OE1-NE 3.84Å
1068K76.4Confident81.1Confident180 Ų18099.9 Ų99.978%0.78357%0.571SS**  trans-92.578.2178.1-59.5-58.9-178.3-174.50111.6Y1066 G1070Y1066-K1068 PolarHBondContact O-N 3.4Å; K1068-G1070 PolarHBondContact O-N 3.17Å
1069R77Confident80.7Confident54 Ų5498.3 Ų98.320%0.20456%0.558CS.*  trans-70.2-29.9-169.5-54.8-17870.7-152-5.9115.3G849 Q885 E1067 I1071G849-R1069 PolarHBondContact O-NH1 3.36Å; G849-R1069 PolarHBondContact O-NH2 2.97Å; Q885-R1069 PolarHBondContact NE2-O 3.23Å; E1067-R1069 HydrophobicContact CG-CG 3.7Å; E1067-R1069 PolarHBondContact O-N 2.98Å; E1067-R1069 VanDerWaalsContact OE1-CD 3.24Å; E1067-R1069 WeakPolarHBondContact OE1-CD 3.04Å; E1067-R1069 IonicContact OE1-NE 3.84Å; R1069-I1071 HydrophobicContact CB-CG1 4.26Å; R1069-I1071 HydrophobicContact CB-CG2 4.15Å; R1069-I1071 PolarHBondContact O-N 2.8Å; R1069-I1071 VanDerWaalsContact O-N 3.13Å
1070G75.6Confident80.2Confident64 Ų6496.4 Ų96.466%0.6656%0.555SS**  trans57.228.5177.800000115.2K1068K1068-G1070 PolarHBondContact O-N 3.17Å
1071I73.2Confident79.6Confident40 Ų40101.2 Ų101.221%0.20557%0.572CS.*  trans-88.8-10-174.357.3165.7000114.3L813 Y882 R1069L813-I1071 HydrophobicContact CD1-CB 4.36Å; L813-I1071 HydrophobicContact CD1-CD1 3.99Å; L813-I1071 HydrophobicContact CD1-CG2 4.15Å; L813-I1071 HydrophobicContact CD2-CD1 4.44Å; Y882-I1071 HydrophobicContact CE1-CG2 4.39Å; R1069-I1071 HydrophobicContact CB-CG1 4.26Å; R1069-I1071 HydrophobicContact CB-CG2 4.15Å; R1069-I1071 PolarHBondContact O-N 2.8Å; R1069-I1071 VanDerWaalsContact O-N 3.13Å
1072A71.1Confident78.8Confident70 Ų70102.6 Ų102.658%0.57956%0.564SS**  trans-74130.7-178.200000110.1E1074A1072-E1074 VanDerWaalsContact C-N 3.34Å; A1072-E1074 WeakPolarHBondContact CB-O 3.26Å
1073L68.8Low77.2Confident131 Ų131103 Ų10369%0.68656%0.556SS**SBendtrans-73.3-32.2174.6-65.4170.8000111.5M934M934-L1073 HydrophobicContact CE-CD1 3.42Å; M934-L1073 VanDerWaalsContact CE-CD1 3.42Å; M934-L1073 HydrophobicContact SD-CD1 4.36Å
1074E71.6Confident75.5Confident161 Ų161109.5 Ų109.575%0.75258%0.583SS**SBendtrans-126.4140.8178.1-63.1179.2165.900108.7A1072A1072-E1074 VanDerWaalsContact C-N 3.34Å; A1072-E1074 WeakPolarHBondContact CB-O 3.26Å
1075V73.8Confident73.7Confident129 Ų129111.6 Ų111.678%0.78259%0.593SS**PPolyproline II helixtrans-98.1126.6175.9-178.30000107.4E1077V1075-E1077 PolarHBondContact O-N 3.19Å; V1075-E1077 VanDerWaalsContact O-N 3.15Å
1076P74.2Confident71.7Confident121 Ų121113 Ų11379%0.78659%0.594SS**PPolyproline II helixtrans-61.7121.3176.525.1-32.7000109.6
1077E79.2Confident69.5Low169 Ų169116.5 Ų116.579%0.7962%0.616SS**PPolyproline II helixtrans-84.4125.7171.7-174.6173.1-171.500109.2V1075 I1079V1075-E1077 PolarHBondContact O-N 3.19Å; V1075-E1077 VanDerWaalsContact O-N 3.15Å; E1077-I1079 PolarHBondContact O-N 3.17Å
1078W79.6Confident67.6Low191 Ų191120.7 Ų120.772%0.72364%0.64SS**  trans-77.3104.4177.9-177.2-88.4000109.6P1080 V1083W1078-P1080 WeakPolarHBondContact O-CD 3.36Å; W1078-V1083 HydrophobicContact CD2-CG2 4.32Å; W1078-V1083 HydrophobicContact CH2-CB 4.4Å; W1078-V1083 HydrophobicContact CH2-CG1 3.72Å; W1078-V1083 HydrophobicContact CH2-CG2 3.92Å; W1078-V1083 HydrophobicContact CZ2-CB 4.09Å; W1078-V1083 HydrophobicContact CZ2-CG1 3.74Å; W1078-V1083 HydrophobicContact CZ2-CG2 3.68Å; W1078-V1083 HydrophobicContact CZ3-CG2 4.32Å
1079I82Confident65.8Low68 Ų68114.7 Ų114.735%0.34962%0.624SS.*  trans-95.6102.1173.3-56.2174.9000108.1E1077 E1081 H1082E1077-I1079 PolarHBondContact O-N 3.17Å; I1079-E1081 PolarHBondContact O-N 2.94Å; I1079-E1081 VanDerWaalsContact O-N 3.13Å; I1079-H1082 PolarHBondContact O-N 3.31Å; I1079-H1082 VanDerWaalsContact O-N 3.14Å
1080P79.3Confident64Low81 Ų81117.3 Ų117.353%0.52665%0.648SS.*G310 helixtrans-57.9-33-171.3-22.232.8000113.7W1078 H1082 V1083W1078-P1080 WeakPolarHBondContact O-CD 3.36Å; P1080-H1082 VanDerWaalsContact C-N 3.26Å; P1080-H1082 PolarHBondContact O-N 3.49Å; P1080-V1083 PolarHBondContact O-N 3.02Å
1081E79.4Confident62.1Low163 Ų163120.6 Ų120.676%0.76265%0.65SS**G310 helixtrans-66-25.5-177.8-59.1109.3-137.800113.8I1079I1079-E1081 PolarHBondContact O-N 2.94Å; I1079-E1081 VanDerWaalsContact O-N 3.13Å
1082H75.5Confident60.3Low153 Ų153123.4 Ų123.471%0.70867%0.673SS**G310 helixtrans-91.30.7-179.9-63.2161.7000113I1079 P1080I1079-H1082 PolarHBondContact O-N 3.31Å; I1079-H1082 VanDerWaalsContact O-N 3.14Å; P1080-H1082 VanDerWaalsContact C-N 3.26Å; P1080-H1082 PolarHBondContact O-N 3.49Å
1083V55.6Low58.6Low65 Ų65125.4 Ų125.439%0.39468%0.678SS.*  trans-99.298.2-176.6-174.70000110W1078 P1080W1078-V1083 HydrophobicContact CD2-CG2 4.32Å; W1078-V1083 HydrophobicContact CH2-CB 4.4Å; W1078-V1083 HydrophobicContact CH2-CG1 3.72Å; W1078-V1083 HydrophobicContact CH2-CG2 3.92Å; W1078-V1083 HydrophobicContact CZ2-CB 4.09Å; W1078-V1083 HydrophobicContact CZ2-CG1 3.74Å; W1078-V1083 HydrophobicContact CZ2-CG2 3.68Å; W1078-V1083 HydrophobicContact CZ3-CG2 4.32Å; P1080-V1083 PolarHBondContact O-N 3.02Å
1084Q54.4Low57.2Low172 Ų172124 Ų12480%0.80468%0.677SS**  trans-68.9131.9158.6-84.6-177.6-15.800109V1086Q1084-V1086 VanDerWaalsContact C-N 3.33Å; Q1084-V1086 VanDerWaalsContact O-CG2 3.31Å; Q1084-V1086 WeakPolarHBondContact O-CG2 3.49Å; Q1084-V1086 PolarHBondContact O-N 2.9Å
1085C47.3Very low55.3Low115 Ų115121.1 Ų121.178%0.77766%0.664SS**  trans-64.790.1177-159.10000109.5M1087C1085-M1087 VanDerWaalsContact C-N 3.31Å; C1085-M1087 PolarHBondContact O-N 3.45Å
1086V45.6Very low53.4Low95 Ų95124.2 Ų124.258%0.57666%0.662SS**  trans-80.481.4178.3-1630000108.8Q1084 N1088 A1089Q1084-V1086 VanDerWaalsContact C-N 3.33Å; Q1084-V1086 VanDerWaalsContact O-CG2 3.31Å; Q1084-V1086 WeakPolarHBondContact O-CG2 3.49Å; Q1084-V1086 PolarHBondContact O-N 2.9Å; V1086-N1088 HydrophobicContact CG1-CB 4.34Å; V1086-N1088 PolarHBondContact O-N 3.13Å; V1086-A1089 HydrophobicContact CB-CB 4.09Å; V1086-A1089 HydrophobicContact CG1-CB 3.85Å; V1086-A1089 PolarHBondContact O-N 2.9Å
1087M39.7Very low51.6Low171 Ų171127 Ų12784%0.84267%0.665SS**THydrogen-bonded Turntrans-60.7-4.2167.3-79.3-152.2-145.700113.4C1085C1085-M1087 VanDerWaalsContact C-N 3.31Å; C1085-M1087 PolarHBondContact O-N 3.45Å
1088N39.9Very low49.4Very low142 Ų142125.1 Ų125.176%0.75965%0.654SS**THydrogen-bonded Turntrans-104.47.5178.8-73.5-21.3000115.1V1086V1086-N1088 HydrophobicContact CG1-CB 4.34Å; V1086-N1088 PolarHBondContact O-N 3.13Å
1089A38.8Very low47.3Very low53 Ų53117.3 Ų117.344%0.43863%0.633SS.*THydrogen-bonded Turntrans-85.511-177.500000118.8V1086 L1091V1086-A1089 HydrophobicContact CB-CB 4.09Å; V1086-A1089 HydrophobicContact CG1-CB 3.85Å; V1086-A1089 PolarHBondContact O-N 2.9Å; A1089-L1091 VanDerWaalsContact C-N 3.31Å; A1089-L1091 PolarHBondContact O-N 3.16Å
1090P38.9Very low45.1Very low109 Ų109121.6 Ų121.671%0.70865%0.651SS**THydrogen-bonded Turntrans-81.6-0.2168.7-2.719.6000114.8
1091L37.1Very low42.9Very low133 Ų133122.8 Ų122.870%0.69665%0.648SS**SBendtrans-113.2-2-171.4-83.3160.3000116.3A1089 M1095A1089-L1091 VanDerWaalsContact C-N 3.31Å; A1089-L1091 PolarHBondContact O-N 3.16Å; L1091-M1095 HydrophobicContact CD2-CE 4.43Å
1092S35.5Very low40.8Very low99 Ų99119.2 Ų119.269%0.69263%0.634SS**  trans-114.45.5-177.155.80000115.9
1093V35.3Very low39Very low112 Ų112117.2 Ų117.268%0.67963%0.628SS**SBendtrans-72.2132163.1-179.10000107.4M1095V1093-M1095 PolarHBondContact O-N 3.31Å
1094P37.5Very low38.2Very low103 Ų103118.4 Ų118.467%0.66963%0.63SS**SBendtrans-6886.5-135.226.6-35.3000113.7R1096P1094-R1096 PolarHBondContact O-N 2.8Å; P1094-R1096 VanDerWaalsContact O-N 3.13Å
1095M31.7Very low37.3Very low100 Ų100114.7 Ų114.749%0.49361%0.614SS.*THydrogen-bonded Turntrans-67.64160.5-74.4-161.6-174.800112.4L1091 V1093 Q1097 F1098 G1099L1091-M1095 HydrophobicContact CD2-CE 4.43Å; V1093-M1095 PolarHBondContact O-N 3.31Å; M1095-Q1097 PolarHBondContact O-N 2.66Å; M1095-F1098 CarbonylContact O-C 3.59Å; M1095-F1098 WeakPolarHBondContact O-CA 3.31Å; M1095-F1098 PolarHBondContact O-N 3.31Å; M1095-G1099 PolarHBondContact O-N 2.93Å
1096R34Very low36.8Very low194 Ų194118 Ų11873%0.73261%0.61SS**Hα-helixtrans-59.1-31.1172.1-96.5-171.6-178.5-169.62112.5P1094P1094-R1096 PolarHBondContact O-N 2.8Å; P1094-R1096 VanDerWaalsContact O-N 3.13Å
1097Q36.3Very low36.6Very low180 Ų180119.6 Ų119.684%0.84161%0.609SS**Hα-helixtrans-74.8-31.3170.9-84.6-178.5-8.900113.1M1095M1095-Q1097 PolarHBondContact O-N 2.66Å
1098F34.8Very low36.5Very low128 Ų128118.5 Ų118.556%0.56160%0.596SS**Hα-helixtrans-82.6-14.7174.6-88-84000114M1095 H1100 F1101 L1102M1095-F1098 CarbonylContact O-C 3.59Å; M1095-F1098 WeakPolarHBondContact O-CA 3.31Å; M1095-F1098 PolarHBondContact O-N 3.31Å; F1098-H1100 PolarHBondContact O-N 3.01Å; F1098-F1101 HydrophobicContact CD1-CB 3.87Å; F1098-F1101 HydrophobicContact CD1-CG 4.3Å; F1098-F1101 CarbonylContact O-C 3.21Å; F1098-F1101 WeakPolarHBondContact O-CA 3.46Å; F1098-F1101 WeakPolarHBondContact O-CB 3.18Å; F1098-F1101 PolarHBondContact O-N 3.26Å; F1098-L1102 PolarHBondContact O-N 3.4Å
1099G34.6Very low36.5Very low28 Ų28117.6 Ų117.629%0.28959%0.587SS.*Hα-helixtrans-57.3-39.2175.400000111.5M1095 L1102 L1103M1095-G1099 PolarHBondContact O-N 2.93Å; G1099-L1102 PolarHBondContact O-N 3.16Å; G1099-L1103 WeakPolarHBondContact O-CB 3.3Å; G1099-L1103 PolarHBondContact O-N 2.95Å
1100H36.7Very low36.6Very low157 Ų157121.6 Ų121.673%0.72760%0.597SS**Hα-helixtrans-62.5-40.6169.5-83.4-101.1000111.9F1098 M1104F1098-H1100 PolarHBondContact O-N 3.01Å; H1100-M1104 WeakPolarHBondContact O-CB 3.05Å; H1100-M1104 PolarHBondContact O-N 3.34Å
1101F33Very low36.6Very low106 Ų106121.3 Ų121.347%0.46559%0.589SS.*Hα-helixtrans-70.2-35.5178.5-145.3-92.6000113.3F1098 M1104 M1105F1098-F1101 HydrophobicContact CD1-CB 3.87Å; F1098-F1101 HydrophobicContact CD1-CG 4.3Å; F1098-F1101 CarbonylContact O-C 3.21Å; F1098-F1101 WeakPolarHBondContact O-CA 3.46Å; F1098-F1101 WeakPolarHBondContact O-CB 3.18Å; F1098-F1101 PolarHBondContact O-N 3.26Å; F1101-M1104 HydrophobicContact CD2-CE 4.26Å; F1101-M1104 HydrophobicContact CE2-CE 3.98Å; F1101-M1104 HydrophobicContact CZ-CE 4.3Å; F1101-M1104 CarbonylContact O-C 3.58Å; F1101-M1104 PolarHBondContact O-N 3.45Å; F1101-M1105 HydrophobicContact CD1-CG 4.37Å; F1101-M1105 WeakPolarHBondContact O-CB 3.44Å; F1101-M1105 WeakPolarHBondContact O-CG 3.3Å; F1101-M1105 PolarHBondContact O-N 2.95Å
1102L34.3Very low36.5Very low88 Ų88119.1 Ų119.146%0.46158%0.577SS.*Hα-helixtrans-76.6-37.8176.7-85.6161.9000112.3F1098 G1099 M1104 M1105 R1106F1098-L1102 PolarHBondContact O-N 3.4Å; G1099-L1102 PolarHBondContact O-N 3.16Å; L1102-M1104 VanDerWaalsContact C-N 3.3Å; L1102-M1105 HydrophobicContact CD2-CE 3.71Å; L1102-M1105 HydrophobicContact CG-CE 4.46Å; L1102-M1105 PolarHBondContact O-N 3.31Å; L1102-R1106 PolarHBondContact O-N 3.05Å
1103L37.9Very low36.6Very low112 Ų112122.6 Ų122.659%0.58658%0.58SS**Hα-helixtrans-63.4-39.2167.2-91149.5000110.7G1099 R1106 K1107G1099-L1103 WeakPolarHBondContact O-CB 3.3Å; G1099-L1103 PolarHBondContact O-N 2.95Å; L1103-R1106 PolarHBondContact O-N 3.17Å; L1103-K1107 WeakPolarHBondContact O-CB 3.43Å; L1103-K1107 PolarHBondContact O-N 3.37Å
1104M38.9Very low36.8Very low89 Ų89121.3 Ų121.344%0.43858%0.581SS.*Hα-helixtrans-65.4-40.3174.2-164.6177.191.100111.3H1100 F1101 L1102 K1107 W1108H1100-M1104 WeakPolarHBondContact O-CB 3.05Å; H1100-M1104 PolarHBondContact O-N 3.34Å; F1101-M1104 HydrophobicContact CD2-CE 4.26Å; F1101-M1104 HydrophobicContact CE2-CE 3.98Å; F1101-M1104 HydrophobicContact CZ-CE 4.3Å; F1101-M1104 CarbonylContact O-C 3.58Å; F1101-M1104 PolarHBondContact O-N 3.45Å; L1102-M1104 VanDerWaalsContact C-N 3.3Å; M1104-K1107 CarbonylContact O-C 3.56Å; M1104-K1107 PolarHBondContact O-N 3.29Å; M1104-W1108 WeakPolarHBondContact O-CA 3.27Å; M1104-W1108 WeakPolarHBondContact O-CB 3.19Å; M1104-W1108 PolarHBondContact O-N 2.88Å
1105M34.7Very low36.6Very low94 Ų94119.9 Ų119.946%0.46357%0.574SS.*Hα-helixtrans-68-37.7173.9-78.8-153.4-63.800112.9F1101 L1102 W1108 Q1109F1101-M1105 HydrophobicContact CD1-CG 4.37Å; F1101-M1105 WeakPolarHBondContact O-CB 3.44Å; F1101-M1105 WeakPolarHBondContact O-CG 3.3Å; F1101-M1105 PolarHBondContact O-N 2.95Å; L1102-M1105 HydrophobicContact CD2-CE 3.71Å; L1102-M1105 HydrophobicContact CG-CE 4.46Å; L1102-M1105 PolarHBondContact O-N 3.31Å; M1105-W1108 PolarHBondContact O-N 3.08Å; M1105-Q1109 WeakPolarHBondContact O-CB 3.33Å; M1105-Q1109 WeakPolarHBondContact O-CG 3.47Å; M1105-Q1109 PolarHBondContact O-N 3.11Å
1106R37.2Very low36.4Very low186 Ų186121.8 Ų121.870%0.70259%0.585SS**Hα-helixtrans-67.5-40.3174.2-81.7-175175.3-177.71.1111.6L1102 L1103 Q1109 Q1110L1102-R1106 PolarHBondContact O-N 3.05Å; L1103-R1106 PolarHBondContact O-N 3.17Å; R1106-Q1109 PolarHBondContact O-N 3.03Å; R1106-Q1110 WeakPolarHBondContact O-CG 3.28Å; R1106-Q1110 PolarHBondContact O-N 3.03Å
1107K42.6Very low36.2Very low127 Ų127117 Ų11755%0.55258%0.579SS**Hα-helixtrans-68.5-36.2171.9-77.3-173.6178.1-178.20112L1103 M1104 Q1110 L1111L1103-K1107 WeakPolarHBondContact O-CB 3.43Å; L1103-K1107 PolarHBondContact O-N 3.37Å; M1104-K1107 CarbonylContact O-C 3.56Å; M1104-K1107 PolarHBondContact O-N 3.29Å; K1107-Q1110 CarbonylContact O-C 3.52Å; K1107-Q1110 PolarHBondContact O-N 3.38Å; K1107-L1111 WeakPolarHBondContact O-CB 3.3Å; K1107-L1111 WeakPolarHBondContact O-CG 3.39Å; K1107-L1111 PolarHBondContact O-N 3.38Å
1108W36.6Very low35.9Very low149 Ų149114.7 Ų114.756%0.56458%0.577SS**Hα-helixtrans-68.4-37.3173.8-105.381.5000112.1M1104 M1105 Q1110 L1111 L1112M1104-W1108 WeakPolarHBondContact O-CA 3.27Å; M1104-W1108 WeakPolarHBondContact O-CB 3.19Å; M1104-W1108 PolarHBondContact O-N 2.88Å; M1105-W1108 PolarHBondContact O-N 3.08Å; W1108-Q1110 VanDerWaalsContact C-N 3.33Å; W1108-L1111 PolarHBondContact O-N 2.88Å; W1108-L1112 HydrophobicContact CE3-CD1 3.84Å; W1108-L1112 HydrophobicContact CE3-CG 3.99Å; W1108-L1112 HydrophobicContact CZ3-CD1 4.38Å; W1108-L1112 HydrophobicContact CZ3-CD2 4.49Å; W1108-L1112 HydrophobicContact CZ3-CG 4.35Å; W1108-L1112 VanDerWaalsContact O-CB 3.23Å; W1108-L1112 WeakPolarHBondContact O-CB 3.33Å; W1108-L1112 WeakPolarHBondContact O-CG 3.27Å; W1108-L1112 PolarHBondContact O-N 3.46Å
1109Q39.1Very low35.6Very low123 Ų123116.3 Ų116.358%0.57559%0.59SS**Hα-helixtrans-68.2-34.3171.7-81.5-175.6-16.100111.6M1105 R1106 K1113M1105-Q1109 WeakPolarHBondContact O-CB 3.33Å; M1105-Q1109 WeakPolarHBondContact O-CG 3.47Å; M1105-Q1109 PolarHBondContact O-N 3.11Å; R1106-Q1109 PolarHBondContact O-N 3.03Å; Q1109-K1113 VanDerWaalsContact O-CB 3.29Å; Q1109-K1113 WeakPolarHBondContact O-CB 3.44Å; Q1109-K1113 WeakPolarHBondContact O-CG 3.24Å; Q1109-K1113 PolarHBondContact O-N 2.8Å
1110Q42Very low35.1Very low136 Ų136120.8 Ų120.864%0.63662%0.615SS**Hα-helixtrans-69.5-40.2171.8-76.5177.6-9.100111.7R1106 K1107 W1108 K1113 A1114R1106-Q1110 WeakPolarHBondContact O-CG 3.28Å; R1106-Q1110 PolarHBondContact O-N 3.03Å; K1107-Q1110 CarbonylContact O-C 3.52Å; K1107-Q1110 PolarHBondContact O-N 3.38Å; W1108-Q1110 VanDerWaalsContact C-N 3.33Å; Q1110-K1113 PolarHBondContact O-N 3.39Å; Q1110-A1114 WeakPolarHBondContact O-CB 3.18Å; Q1110-A1114 PolarHBondContact O-N 3.09Å
1111L38.1Very low34.5Very low104 Ų104117.1 Ų117.155%0.54561%0.612SS.*Hα-helixtrans-67.6-47.9175.6-84.2159.8000111.3K1107 W1108 K1113 A1114 S1115K1107-L1111 WeakPolarHBondContact O-CB 3.3Å; K1107-L1111 WeakPolarHBondContact O-CG 3.39Å; K1107-L1111 PolarHBondContact O-N 3.38Å; W1108-L1111 PolarHBondContact O-N 2.88Å; L1111-K1113 PolarHBondContact O-N 3.11Å; L1111-A1114 CarbonylContact O-C 3.01Å; L1111-A1114 WeakPolarHBondContact O-CA 3.37Å; L1111-A1114 PolarHBondContact O-N 3.46Å; L1111-S1115 WeakPolarHBondContact O-CA 3.24Å; L1111-S1115 VanDerWaalsContact O-CB 3.24Å; L1111-S1115 WeakPolarHBondContact O-CB 3.1Å; L1111-S1115 PolarHBondContact O-N 2.9Å; L1111-S1115 PolarHBondContact O-OG 2.97Å
1112L36.5Very low34.2Very low87 Ų87120.9 Ų120.946%0.45563%0.631SS.*Hα-helixtrans-58.2-34.6173.1-80.8162.9000112.1W1108 L1116W1108-L1112 HydrophobicContact CE3-CD1 3.84Å; W1108-L1112 HydrophobicContact CE3-CG 3.99Å; W1108-L1112 HydrophobicContact CZ3-CD1 4.38Å; W1108-L1112 HydrophobicContact CZ3-CD2 4.49Å; W1108-L1112 HydrophobicContact CZ3-CG 4.35Å; W1108-L1112 VanDerWaalsContact O-CB 3.23Å; W1108-L1112 WeakPolarHBondContact O-CB 3.33Å; W1108-L1112 WeakPolarHBondContact O-CG 3.27Å; W1108-L1112 PolarHBondContact O-N 3.46Å; L1112-L1116 WeakPolarHBondContact O-CD1 3.34Å; L1112-L1116 WeakPolarHBondContact O-CG 3.19Å; L1112-L1116 PolarHBondContact O-N 3.39Å
1113K37.2Very low34.1Very low172 Ų172126.8 Ų126.875%0.74865%0.653SS**Hα-helixtrans-73.1-29.5172-78.5177.9179.4-178.60113.1Q1109 Q1110 L1111Q1109-K1113 VanDerWaalsContact O-CB 3.29Å; Q1109-K1113 WeakPolarHBondContact O-CB 3.44Å; Q1109-K1113 WeakPolarHBondContact O-CG 3.24Å; Q1109-K1113 PolarHBondContact O-N 2.8Å; Q1110-K1113 PolarHBondContact O-N 3.39Å; L1111-K1113 PolarHBondContact O-N 3.11Å
1114A39Very low33.7Very low84 Ų84128.3 Ų128.369%0.69467%0.667SS**Hα-helixtrans-86.2-24.2177.400000113.2Q1110 L1111Q1110-A1114 WeakPolarHBondContact O-CB 3.18Å; Q1110-A1114 PolarHBondContact O-N 3.09Å; L1111-A1114 CarbonylContact O-C 3.01Å; L1111-A1114 WeakPolarHBondContact O-CA 3.37Å; L1111-A1114 PolarHBondContact O-N 3.46Å
1115S32.7Very low33.8Very low74 Ų74132.5 Ų132.552%0.51772%0.716SS.*SBendtrans-110.320-173.873.80000113L1111 P1117L1111-S1115 WeakPolarHBondContact O-CA 3.24Å; L1111-S1115 VanDerWaalsContact O-CB 3.24Å; L1111-S1115 WeakPolarHBondContact O-CB 3.1Å; L1111-S1115 PolarHBondContact O-N 2.9Å; L1111-S1115 PolarHBondContact O-OG 2.97Å; S1115-P1117 WeakPolarHBondContact O-CD 3.49Å
1116L27.9Very low33.7Very low140 Ų140134.4 Ų134.473%0.73373%0.728SS**  trans-92.878.1156.4-85.7160.7000108.2L1112 V1118L1112-L1116 WeakPolarHBondContact O-CD1 3.34Å; L1112-L1116 WeakPolarHBondContact O-CG 3.19Å; L1112-L1116 PolarHBondContact O-N 3.39Å; L1116-V1118 PolarHBondContact O-N 2.89Å; L1116-V1118 VanDerWaalsContact O-N 3.11Å
1117P30.4Very low33.5Very low93 Ų93131.7 Ų131.760%0.60473%0.73SS**  trans-68.6110.5162.829.8-29.3000106.5S1115 I1119S1115-P1117 WeakPolarHBondContact O-CD 3.49Å; P1117-I1119 PolarHBondContact O-N 2.83Å
1118V29.7Very low33Very low131 Ų131131.9 Ų131.979%0.79474%0.739SS**  trans21.172.9144-169.70000113.7L1116L1116-V1118 PolarHBondContact O-N 2.89Å; L1116-V1118 VanDerWaalsContact O-N 3.11Å
1119I27.8Very low32.8Very low163 Ų163130.9 Ų130.984%0.83675%0.75SS**  trans-97.265.7154.6-52.8-179.3000105.7P1117P1117-I1119 PolarHBondContact O-N 2.83Å
1120C24.4Very low32.4Very low122 Ų122131.4 Ų131.482%0.82476%0.761SS**  trans-127.662159.9-83.80000106.5
1121A25.4Very low31.8Very low79 Ų79131.1 Ų131.165%0.65377%0.769SS**  trans-146.9126.1163.100000108
1122E26.8Very low31.4Very low186 Ų186133.1 Ų133.187%0.86979%0.785SS**  trans78.584.8169.5-58.5-172.5166.600118.8
1123K31.8Very low31Very low211 Ų211136.6 Ų136.692%0.91781%0.81SS**  -152.2100.4120.4-106.6178.5-173.6-177.80110.4
1124T28.8Very low30.5Very low145 Ų145133.7 Ų133.789%0.8982%0.816SS**  trans-62.6121.4148.339.50000109.6
1125A40.7Very low29.7Very low176 Ų176138.2 Ų138.2100%1.45583%0.827SS**  trans-155.80143.100000107

Retrieved 1,125 of 1,125 residues in 233.1 ms (Link to these results)

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