A0A5K4FDK8_SCHMA Loading...

DUF2451 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 565 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
1M66.6Low83.7Confident152 Ų15272.5 Ų72.575%0.74937%0.371SS*.  0133.70-71.5160.9-177.100107.4F26M1-F26 VanDerWaalsContact CA-O 3.25Å; M1-F26 WeakPolarHBondContact CA-O 3.22Å
2R77.3Confident83.5Confident98 Ų9869.5 Ų69.537%0.3735%0.354SS..EExtended strand (participates in β ladder)trans-95.6131.2176.3178.9174.7165.2-132-13.4107.4V4 F26 E64R2-V4 HydrophobicContact CG-CG2 3.99Å; R2-F26 PolarHBondContact N-O 3.33Å; R2-F26 PolarHBondContact O-N 2.93Å; R2-E64 IonicContact CZ-OE1 3.52Å; R2-E64 IonicContact CZ-OE2 2.72Å; R2-E64 IonicContact NH1-OE1 4Å; R2-E64 IonicContact NH1-OE2 3.81Å; R2-E64 PolarHBondContact NH1-OE2 3.38Å; R2-E64 IonicContact NH2-OE1 3.64Å; R2-E64 PolarHBondContact NH2-OE1 3.32Å; R2-E64 IonicContact NH2-OE2 3.2Å; R2-E64 PolarHBondContact NH2-OE2 3.5Å
3K83.8Confident82.4Confident120 Ų12076.8 Ų76.852%0.52239%0.386SS..EExtended strand (participates in β ladder)trans-96128.8169.3-66.3-165.2177.9-125.30108.3W23 L24 E25K3-W23 HydrophobicContact CB-CE3 3.9Å; K3-W23 HydrophobicContact CB-CZ3 4.4Å; K3-L24 WeakPolarHBondContact CA-O 3.35Å; K3-E25 HydrophobicContact CD-CG 4.4Å; K3-E25 WeakPolarHBondContact CE-OE1 3.42Å; K3-E25 HydrophobicContact CG-CG 3.96Å; K3-E25 IonicContact NZ-OE1 2.79Å; K3-E25 PolarHBondContact NZ-OE1 2.77Å
4V86.5Confident81.3Confident19 Ų1983.7 Ų83.712%0.11542%0.415CS..EExtended strand (participates in β ladder)trans-122.6136.1175.1-163.20000107.9R2 L24 F26 F60 E64R2-V4 HydrophobicContact CG-CG2 3.99Å; V4-L24 PolarHBondContact N-O 3.35Å; V4-L24 PolarHBondContact O-N 3.41Å; V4-F26 HydrophobicContact CB-CD2 4.36Å; V4-F26 HydrophobicContact CB-CE2 4.17Å; V4-F26 HydrophobicContact CG2-CD2 3.85Å; V4-F26 HydrophobicContact CG2-CE2 4.07Å; V4-F60 HydrophobicContact CB-CZ 4.17Å; V4-F60 HydrophobicContact CG1-CE2 4.38Å; V4-F60 HydrophobicContact CG1-CZ 3.68Å; V4-E64 HydrophobicContact CG1-CG 4.27Å; V4-E64 WeakPolarHBondContact CG1-OE1 3.28Å; V4-E64 HydrophobicContact CG2-CG 4.41Å
5L89.2Confident80.4Confident56 Ų5688.5 Ų88.529%0.29344%0.443SS..EExtended strand (participates in β ladder)trans-80.2122.4178.5179.567.4000109.3K21 W23 F60L5-K21 HydrophobicContact CD1-CG 3.88Å; L5-W23 HydrophobicContact CB-CD2 4.35Å; L5-W23 HydrophobicContact CB-CE3 4.04Å; L5-W23 HydrophobicContact CB-CH2 4.07Å; L5-W23 HydrophobicContact CB-CZ2 4.33Å; L5-W23 HydrophobicContact CB-CZ3 3.91Å; L5-W23 HydrophobicContact CD1-CD2 4.14Å; L5-W23 HydrophobicContact CD1-CG 4.43Å; L5-W23 HydrophobicContact CD1-CZ2 4.25Å; L5-F60 WeakPolarHBondContact O-CZ 3.44Å
6F89Confident79.6Confident8 Ų886.2 Ų86.24%0.03544%0.435CS..EExtended strand (participates in β ladder)trans-95.7129166.6176.9-103.4000108.7F8 V20 K21 E22 L24 F53 L57 F60F6-F8 HydrophobicContact CE1-CB 3.78Å; F6-F8 HydrophobicContact CZ-CB 3.88Å; F6-V20 HydrophobicContact CE1-CG1 4.48Å; F6-K21 CarbonylContact O-C 3.58Å; F6-K21 WeakPolarHBondContact O-CA 3.32Å; F6-E22 PolarHBondContact N-O 2.81Å; F6-E22 PolarHBondContact O-N 3.14Å; F6-L24 HydrophobicContact CB-CD1 3.95Å; F6-L24 HydrophobicContact CB-CG 4.25Å; F6-L24 HydrophobicContact CG-CD1 4.42Å; F6-F53 AromaticContact CE1-CE2 3.81Å; F6-F53 HydrophobicContact CE1-CE2 3.81Å; F6-F53 HydrophobicContact CE1-CZ 4.35Å; F6-F53 HydrophobicContact CZ-CE2 4.35Å; F6-L57 HydrophobicContact CD1-CD1 4.19Å; F6-L57 HydrophobicContact CD2-CD1 4.18Å; F6-L57 HydrophobicContact CE1-CD1 4.03Å; F6-L57 HydrophobicContact CE2-CB 4.41Å; F6-L57 HydrophobicContact CE2-CD1 4.02Å; F6-L57 HydrophobicContact CG-CD1 4.25Å; F6-L57 HydrophobicContact CZ-CB 4.08Å; F6-L57 HydrophobicContact CZ-CD1 3.93Å; F6-F60 HydrophobicContact CB-CD1 4.32Å; F6-F60 HydrophobicContact CB-CE1 3.96Å; F6-F60 HydrophobicContact CB-CZ 4.2Å; F6-F60 HydrophobicContact CD2-CB 3.95Å; F6-F60 AromaticContact CD2-CD1 3.66Å; F6-F60 HydrophobicContact CD2-CD1 3.66Å; F6-F60 HydrophobicContact CD2-CD2 4.06Å; F6-F60 HydrophobicContact CD2-CE1 4.12Å; F6-F60 HydrophobicContact CD2-CE2 4.46Å; F6-F60 AromaticContact CD2-CG 3.62Å; F6-F60 HydrophobicContact CD2-CG 3.62Å; F6-F60 HydrophobicContact CD2-CZ 4.48Å; F6-F60 HydrophobicContact CE2-CB 3.99Å; F6-F60 HydrophobicContact CE2-CD1 4.48Å; F6-F60 HydrophobicContact CE2-CG 4.18Å; F6-F60 HydrophobicContact CG-CD1 4.4Å
7E88.2Confident79.6Confident102 Ų10289.2 Ų89.248%0.47745%0.447SS..EExtended strand (participates in β ladder)trans-133.7120.5179.9-176158.8-158.800109.3H19 V20 K21E7-H19 IonicContact OE1-CE1 2.89Å; E7-V20 WeakPolarHBondContact CA-O 3.42Å; E7-K21 HydrophobicContact CG-CD 4.43Å; E7-K21 IonicContact OE1-NZ 3.86Å; E7-K21 PolarHBondContact OE1-NZ 3.23Å; E7-K21 WeakPolarHBondContact OE2-CE 3.22Å; E7-K21 IonicContact OE2-NZ 2.66Å; E7-K21 PolarHBondContact OE2-NZ 2.99Å
8F88.3Confident79.7Confident10 Ų1084.8 Ų84.84%0.04443%0.425CS..EExtended strand (participates in β ladder)trans-128.4129.8-179.3172.2-93.6000108.8F6 E10 F12 V18 H19 V20 F53 K56F6-F8 HydrophobicContact CE1-CB 3.78Å; F6-F8 HydrophobicContact CZ-CB 3.88Å; F8-E10 HydrophobicContact CE1-CB 4.25Å; F8-E10 HydrophobicContact CE2-CB 4.33Å; F8-E10 HydrophobicContact CE2-CG 3.88Å; F8-E10 HydrophobicContact CZ-CB 3.8Å; F8-E10 HydrophobicContact CZ-CG 3.87Å; F8-E10 WeakPolarHBondContact CZ-OE2 3.19Å; F8-F12 HydrophobicContact CZ-CZ 4.36Å; F8-V18 HydrophobicContact CD1-CG1 4.15Å; F8-V18 HydrophobicContact CE1-CB 4.14Å; F8-V18 HydrophobicContact CE1-CG1 3.85Å; F8-H19 CarbonylContact O-C 3.46Å; F8-H19 WeakPolarHBondContact O-CA 3.33Å; F8-V20 HydrophobicContact CB-CB 4.35Å; F8-V20 HydrophobicContact CD1-CG2 4.41Å; F8-V20 PolarHBondContact N-O 3.21Å; F8-V20 PolarHBondContact O-N 2.94Å; F8-F53 AromaticContact CD1-CD2 3.89Å; F8-F53 HydrophobicContact CD1-CD2 3.89Å; F8-F53 HydrophobicContact CE1-CD2 4.15Å; F8-F53 HydrophobicContact CG-CD2 4.14Å; F8-F53 HydrophobicContact CZ-CB 4.42Å; F8-K56 HydrophobicContact CD2-CB 4.12Å; F8-K56 HydrophobicContact CD2-CG 4.15Å; F8-K56 HydrophobicContact CE2-CB 4.32Å; F8-K56 HydrophobicContact CE2-CG 4.03Å
9S86.5Confident80.1Confident83 Ų8385.5 Ų85.558%0.5843%0.427SS*.EExtended strand (participates in β ladder)trans-148.5105.1-179.1-154.50000109.7V18 H19S9-V18 WeakPolarHBondContact CA-O 3.33Å; S9-H19 WeakPolarHBondContact CB-ND1 3.22Å; S9-H19 PolarHBondContact OG-ND1 3.15Å
10E84.8Confident80.4Confident63 Ų6381.3 Ų81.329%0.29441%0.406SS..EExtended strand (participates in β ladder)trans-135.7157.1-179.8-76.8-171.4168.300112.3F8 F12 V18 V52F8-E10 HydrophobicContact CE1-CB 4.25Å; F8-E10 HydrophobicContact CE2-CB 4.33Å; F8-E10 HydrophobicContact CE2-CG 3.88Å; F8-E10 HydrophobicContact CZ-CB 3.8Å; F8-E10 HydrophobicContact CZ-CG 3.87Å; F8-E10 WeakPolarHBondContact CZ-OE2 3.19Å; E10-F12 HydrophobicContact CB-CE2 3.78Å; E10-F12 HydrophobicContact CB-CZ 3.99Å; E10-F12 WeakPolarHBondContact OE2-CZ 3.36Å; E10-V18 PolarHBondContact N-O 2.94Å; E10-V18 PolarHBondContact O-N 3.44Å; E10-V52 WeakPolarHBondContact OE2-CG1 3.41Å
11S80.8Confident80.8Confident86 Ų8681.8 Ų81.860%0.60141%0.405SS*.EExtended strand (participates in β ladder)trans-119.1119.7-176.6-46.10000108.4H17S11-H17 WeakPolarHBondContact CB-ND1 3.45Å; S11-H17 PolarHBondContact OG-CE1 2.97Å; S11-H17 PolarHBondContact OG-ND1 2.88Å
12F81.3Confident81.8Confident37 Ų3778 Ų7816%0.16239%0.386CS..EExtended strand (participates in β ladder)trans-104.5162.9179.5-60.9-90.8000110.5F8 E10 V16 V18 V48 A49 V52F8-F12 HydrophobicContact CZ-CZ 4.36Å; E10-F12 HydrophobicContact CB-CE2 3.78Å; E10-F12 HydrophobicContact CB-CZ 3.99Å; E10-F12 WeakPolarHBondContact OE2-CZ 3.36Å; F12-V16 HydrophobicContact CB-CB 4.27Å; F12-V16 PolarHBondContact N-O 2.75Å; F12-V18 HydrophobicContact CD2-CG2 4.19Å; F12-V18 HydrophobicContact CE2-CB 4.34Å; F12-V18 HydrophobicContact CE2-CG2 4.09Å; F12-V48 HydrophobicContact CB-CG1 4.42Å; F12-V48 HydrophobicContact CD1-CG1 4.25Å; F12-A49 HydrophobicContact CD2-CB 3.92Å; F12-A49 HydrophobicContact CE1-CB 4.11Å; F12-A49 HydrophobicContact CE2-CB 3.41Å; F12-A49 VanDerWaalsContact CE2-CB 3.41Å; F12-A49 HydrophobicContact CG-CB 4.48Å; F12-A49 HydrophobicContact CZ-CB 3.53Å; F12-V52 HydrophobicContact CE1-CB 4.45Å; F12-V52 HydrophobicContact CE1-CG2 4.13Å; F12-V52 HydrophobicContact CZ-CB 4.41Å
13E68.5Low82.4Confident165 Ų16580.4 Ų80.477%0.77140%0.395SS*.THydrogen-bonded Turntrans-57.3146.4173-64.8-174154.900110.7
14H67.2Low82.6Confident173 Ų17375.4 Ų75.480%0.80137%0.374SS*.THydrogen-bonded Turntrans79.136.1-173.7-4480000116.3V16H14-V16 PolarHBondContact O-N 3.48Å; H14-V16 VanDerWaalsContact O-N 3.13Å
15D68.3Low82.5Confident155 Ų15578.3 Ų78.383%0.82939%0.386SS*.THydrogen-bonded Turntrans58.121.8177.9-75.3-16.3000114.9H17D15-H17 PolarHBondContact O-N 3.06Å
16V67.5Low82.1Confident52 Ų5275.7 Ų75.732%0.31537%0.373SS..EExtended strand (participates in β ladder)trans-85.599.4179.2179.20000109.8F12 H14 V18 P46F12-V16 HydrophobicContact CB-CB 4.27Å; F12-V16 PolarHBondContact N-O 2.75Å; H14-V16 PolarHBondContact O-N 3.48Å; H14-V16 VanDerWaalsContact O-N 3.13Å; V16-V18 HydrophobicContact CG1-CG2 4.17Å; V16-P46 HydrophobicContact CG1-CG 3.6Å
17H79.8Confident81.5Confident137 Ų13779.5 Ų79.563%0.63440%0.398SS*.EExtended strand (participates in β ladder)trans-95.1122.6169.8-69.4-72000110.7S11 D15S11-H17 WeakPolarHBondContact CB-ND1 3.45Å; S11-H17 PolarHBondContact OG-CE1 2.97Å; S11-H17 PolarHBondContact OG-ND1 2.88Å; D15-H17 PolarHBondContact O-N 3.06Å
18V81.1Confident81Confident10 Ų1077 Ų776%0.06139%0.387CS..EExtended strand (participates in β ladder)trans-108.4122.7175.3-1790000108.7F8 S9 E10 F12 V16 V20 I45 P46 A49F8-V18 HydrophobicContact CD1-CG1 4.15Å; F8-V18 HydrophobicContact CE1-CB 4.14Å; F8-V18 HydrophobicContact CE1-CG1 3.85Å; S9-V18 WeakPolarHBondContact CA-O 3.33Å; E10-V18 PolarHBondContact N-O 2.94Å; E10-V18 PolarHBondContact O-N 3.44Å; F12-V18 HydrophobicContact CD2-CG2 4.19Å; F12-V18 HydrophobicContact CE2-CB 4.34Å; F12-V18 HydrophobicContact CE2-CG2 4.09Å; V16-V18 HydrophobicContact CG1-CG2 4.17Å; V18-V20 HydrophobicContact CG1-CG2 4.05Å; V18-I45 HydrophobicContact CG1-CG1 4.36Å; V18-I45 HydrophobicContact CG1-CG2 4.41Å; V18-P46 HydrophobicContact CG2-CG 4.15Å; V18-A49 HydrophobicContact CG2-CB 3.84Å
19H86.6Confident80.5Confident99 Ų9986.4 Ų86.446%0.45842%0.422SS..EExtended strand (participates in β ladder)trans-128.7118.2176-174.176.8000109.9E7 F8 S9E7-H19 IonicContact OE1-CE1 2.89Å; F8-H19 CarbonylContact O-C 3.46Å; F8-H19 WeakPolarHBondContact O-CA 3.33Å; S9-H19 WeakPolarHBondContact CB-ND1 3.22Å; S9-H19 PolarHBondContact OG-ND1 3.15Å
20V86.3Confident80.2Confident0 Ų085.8 Ų85.80%041%0.412CS..EExtended strand (participates in β ladder)trans-126.6132.1-177.1179.80000108.8F6 E7 F8 V18 Y43 I45 F53F6-V20 HydrophobicContact CE1-CG1 4.48Å; E7-V20 WeakPolarHBondContact CA-O 3.42Å; F8-V20 HydrophobicContact CB-CB 4.35Å; F8-V20 HydrophobicContact CD1-CG2 4.41Å; F8-V20 PolarHBondContact N-O 3.21Å; F8-V20 PolarHBondContact O-N 2.94Å; V18-V20 HydrophobicContact CG1-CG2 4.05Å; V20-Y43 HydrophobicContact CB-CD1 4.18Å; V20-Y43 HydrophobicContact CB-CE1 4.38Å; V20-Y43 HydrophobicContact CB-CG 4.33Å; V20-Y43 HydrophobicContact CG1-CD1 4.11Å; V20-Y43 HydrophobicContact CG1-CD2 3.81Å; V20-Y43 HydrophobicContact CG1-CE1 4.11Å; V20-Y43 HydrophobicContact CG1-CE2 3.83Å; V20-Y43 HydrophobicContact CG1-CG 3.97Å; V20-Y43 HydrophobicContact CG2-CD1 3.94Å; V20-Y43 HydrophobicContact CG2-CD2 4.48Å; V20-Y43 HydrophobicContact CG2-CG 3.86Å; V20-I45 HydrophobicContact CG2-CD1 3.92Å; V20-I45 HydrophobicContact CG2-CG1 4.39Å; V20-F53 HydrophobicContact CB-CE2 4.23Å; V20-F53 HydrophobicContact CG1-CE2 4.1Å; V20-F53 HydrophobicContact CG2-CE2 4.01Å
21K89.3Confident80.2Confident92 Ų9286.5 Ų86.540%0.442%0.421SS..EExtended strand (participates in β ladder)trans-145.784.4-174.7-168.9163.1-171.5146.60111.8L5 F6 E7 Y43L5-K21 HydrophobicContact CD1-CG 3.88Å; F6-K21 CarbonylContact O-C 3.58Å; F6-K21 WeakPolarHBondContact O-CA 3.32Å; E7-K21 HydrophobicContact CG-CD 4.43Å; E7-K21 IonicContact OE1-NZ 3.86Å; E7-K21 PolarHBondContact OE1-NZ 3.23Å; E7-K21 WeakPolarHBondContact OE2-CE 3.22Å; E7-K21 IonicContact OE2-NZ 2.66Å; E7-K21 PolarHBondContact OE2-NZ 2.99Å; K21-Y43 PolarHBondContact O-OH 2.85Å
22E88Confident80.4Confident73 Ų7384.8 Ų84.834%0.34140%0.404SS..EExtended strand (participates in β ladder)trans-120.6150.4-169.6-160.459.9-138.300113F6 L39 Y43F6-E22 PolarHBondContact N-O 2.81Å; F6-E22 PolarHBondContact O-N 3.14Å; E22-L39 HydrophobicContact CB-CD2 3.77Å; E22-L39 HydrophobicContact CG-CD2 3.68Å; E22-Y43 HydrophobicContact CB-CE2 4.47Å; E22-Y43 WeakPolarHBondContact OE2-CE2 3.44Å; E22-Y43 PolarHBondContact OE2-OH 2.98Å
23W89.1Confident80.5Confident149 Ų14986.1 Ų86.156%0.56442%0.418SS*.EExtended strand (participates in β ladder)trans-95.4110.8176.3-72.893.4000111.7K3 L5K3-W23 HydrophobicContact CB-CE3 3.9Å; K3-W23 HydrophobicContact CB-CZ3 4.4Å; L5-W23 HydrophobicContact CB-CD2 4.35Å; L5-W23 HydrophobicContact CB-CE3 4.04Å; L5-W23 HydrophobicContact CB-CH2 4.07Å; L5-W23 HydrophobicContact CB-CZ2 4.33Å; L5-W23 HydrophobicContact CB-CZ3 3.91Å; L5-W23 HydrophobicContact CD1-CD2 4.14Å; L5-W23 HydrophobicContact CD1-CG 4.43Å; L5-W23 HydrophobicContact CD1-CZ2 4.25Å
24L87.6Confident81.4Confident14 Ų1482.7 Ų82.77%0.07340%0.402CS..EExtended strand (participates in β ladder)trans-91.8137.1178.1-60.6-178.9000111.5K3 V4 F6 F26 L57 F60 I61K3-L24 WeakPolarHBondContact CA-O 3.35Å; V4-L24 PolarHBondContact N-O 3.35Å; V4-L24 PolarHBondContact O-N 3.41Å; F6-L24 HydrophobicContact CB-CD1 3.95Å; F6-L24 HydrophobicContact CB-CG 4.25Å; F6-L24 HydrophobicContact CG-CD1 4.42Å; L24-F26 HydrophobicContact CB-CE2 3.88Å; L24-L57 HydrophobicContact CD1-CD1 3.95Å; L24-F60 HydrophobicContact CD1-CD1 4.14Å; L24-F60 HydrophobicContact CD1-CE1 3.98Å; L24-I61 HydrophobicContact CD1-CG1 4.26Å
25E84.4Confident82.3Confident81 Ų8174.9 Ų74.938%0.37937%0.367SS..EExtended strand (participates in β ladder)trans-97.1126.9178.9-79.6-176.2-173.900112K3 M28K3-E25 HydrophobicContact CD-CG 4.4Å; K3-E25 WeakPolarHBondContact CE-OE1 3.42Å; K3-E25 HydrophobicContact CG-CG 3.96Å; K3-E25 IonicContact NZ-OE1 2.79Å; K3-E25 PolarHBondContact NZ-OE1 2.77Å; E25-M28 WeakPolarHBondContact O-CA 3.32Å
26F82.3Confident83.3Confident1 Ų167.9 Ų67.90%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-113.1142.2177-68.9-94.9000112.3M1 R2 V4 L24 F60 I61 E64M1-F26 VanDerWaalsContact CA-O 3.25Å; M1-F26 WeakPolarHBondContact CA-O 3.22Å; R2-F26 PolarHBondContact N-O 3.33Å; R2-F26 PolarHBondContact O-N 2.93Å; V4-F26 HydrophobicContact CB-CD2 4.36Å; V4-F26 HydrophobicContact CB-CE2 4.17Å; V4-F26 HydrophobicContact CG2-CD2 3.85Å; V4-F26 HydrophobicContact CG2-CE2 4.07Å; L24-F26 HydrophobicContact CB-CE2 3.88Å; F26-F60 HydrophobicContact CE2-CE1 4.39Å; F26-F60 HydrophobicContact CZ-CE1 4.39Å; F26-I61 HydrophobicContact CE1-CG2 4.46Å; F26-E64 HydrophobicContact CD1-CB 4.2Å; F26-E64 HydrophobicContact CE1-CB 3.62Å; F26-E64 HydrophobicContact CE2-CB 3.99Å; F26-E64 HydrophobicContact CZ-CB 3.49Å; F26-E64 VanDerWaalsContact CZ-CB 3.49Å; F26-E64 HydrophobicContact CZ-CG 4.37Å
27P76Confident84.1Confident87 Ų8768.7 Ų68.757%0.56534%0.338SS*.SBendcis-69.3141.7-4.928.9-35.9000112.4
28M76.8Confident84.4Confident50 Ų5067.5 Ų67.525%0.24633%0.333CS..  trans-70.2137.8-170-142.9173.682.900111.7E25 L30 C35 I61E25-M28 WeakPolarHBondContact O-CA 3.32Å; M28-L30 HydrophobicContact CE-CB 4.46Å; M28-L30 WeakPolarHBondContact CE-O 3.36Å; M28-C35 HydrophobicContact CE-CB 3.86Å; M28-C35 HydrophobicContact SD-CB 4.45Å; M28-I61 HydrophobicContact CE-CD1 4.01Å; M28-I61 HydrophobicContact CE-CG2 4.31Å; M28-I61 HydrophobicContact SD-CD1 3.78Å; M28-I61 HydrophobicContact SD-CG1 4.07Å; M28-I61 HydrophobicContact SD-CG2 3.99Å
29R78.2Confident84.6Confident208 Ų20867.5 Ų67.579%0.78533%0.333SS*.SBendtrans-95.3-17.1-178.6-70.7178.6167.5-176.5-6.3114.5
30L80.2Confident84.6Confident69 Ų6964.4 Ų64.436%0.36132%0.324SS..SBendtrans-103.8160.4-179.1-66.6165.3000109.1M28 E34M28-L30 HydrophobicContact CE-CB 4.46Å; M28-L30 WeakPolarHBondContact CE-O 3.36Å; L30-E34 HydrophobicContact CB-CB 4.21Å; L30-E34 HydrophobicContact CD2-CB 4.24Å
31T85.2Confident84.5Confident78 Ų7869.1 Ų69.148%0.47936%0.357SS..  trans-71.8158.8165.161.70000110.9S33 E34 C35T31-S33 PolarHBondContact O-N 3.3Å; T31-E34 WeakPolarHBondContact CB-OE2 3.26Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.46Å; T31-E34 PolarHBondContact N-OE2 3.18Å; T31-E34 PolarHBondContact O-N 3.01Å; T31-E34 VanDerWaalsContact OG1-CD 3.25Å; T31-E34 VanDerWaalsContact OG1-CG 3.26Å; T31-E34 WeakPolarHBondContact OG1-CG 3.36Å; T31-E34 PolarHBondContact OG1-N 3.01Å; T31-E34 PolarHBondContact OG1-OE2 2.89Å; T31-C35 PolarHBondContact O-N 3.39Å
32I84.9Confident84.3Confident50 Ų5068.3 Ų68.326%0.25637%0.368SS..Hα-helixtrans-56.7-39.6174.7-60.9174.7000110.4C35 A36 Y54 I61I32-C35 PolarHBondContact O-N 3.21Å; I32-A36 VanDerWaalsContact O-CB 3.29Å; I32-A36 WeakPolarHBondContact O-CB 3.34Å; I32-A36 PolarHBondContact O-N 2.9Å; I32-Y54 HydrophobicContact CG2-CE2 4.24Å; I32-I61 HydrophobicContact CD1-CG2 4.3Å; I32-I61 HydrophobicContact CG1-CD1 4.32Å; I32-I61 HydrophobicContact CG1-CG2 4.05Å; I32-I61 HydrophobicContact CG2-CD1 4.33Å
33S83.9Confident84.2Confident66 Ų6668.6 Ų68.646%0.46237%0.366SS..Hα-helixtrans-59.8-49.6174.9-175.90000112.6T31 C35 A36 S37T31-S33 PolarHBondContact O-N 3.3Å; S33-C35 VanDerWaalsContact C-N 3.35Å; S33-C35 PolarHBondContact O-N 3.4Å; S33-A36 PolarHBondContact O-N 2.72Å; S33-S37 PolarHBondContact O-N 2.92Å; S33-S37 PolarHBondContact O-OG 3.45Å; S33-S37 VanDerWaalsContact O-OG 3.13Å
34E87Confident83.9Confident93 Ų9368.4 Ų68.444%0.43538%0.376SS..Hα-helixtrans-65.6-39-179.6-71.6160.6134.700111.7L30 T31 S37 Q38L30-E34 HydrophobicContact CB-CB 4.21Å; L30-E34 HydrophobicContact CD2-CB 4.24Å; T31-E34 WeakPolarHBondContact CB-OE2 3.26Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.46Å; T31-E34 PolarHBondContact N-OE2 3.18Å; T31-E34 PolarHBondContact O-N 3.01Å; T31-E34 VanDerWaalsContact OG1-CD 3.25Å; T31-E34 VanDerWaalsContact OG1-CG 3.26Å; T31-E34 WeakPolarHBondContact OG1-CG 3.36Å; T31-E34 PolarHBondContact OG1-N 3.01Å; T31-E34 PolarHBondContact OG1-OE2 2.89Å; E34-S37 PolarHBondContact O-N 2.98Å; E34-Q38 WeakPolarHBondContact O-CB 3.28Å; E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.49Å; E34-Q38 PolarHBondContact O-N 3.45Å
35C87Confident83.7Confident8 Ų868.6 Ų68.65%0.05438%0.377CS..Hα-helixtrans-64.2-46175.1-174.80000111.4M28 T31 I32 S33 S37 Q38 L39M28-C35 HydrophobicContact CE-CB 3.86Å; M28-C35 HydrophobicContact SD-CB 4.45Å; T31-C35 PolarHBondContact O-N 3.39Å; I32-C35 PolarHBondContact O-N 3.21Å; S33-C35 VanDerWaalsContact C-N 3.35Å; S33-C35 PolarHBondContact O-N 3.4Å; C35-S37 PolarHBondContact O-N 3.24Å; C35-Q38 PolarHBondContact O-N 3.11Å; C35-L39 WeakPolarHBondContact O-CG 3.44Å; C35-L39 PolarHBondContact O-N 3.47Å
36A87.7Confident83.5Confident9 Ų967 Ų677%0.07437%0.374CS..Hα-helixtrans-60-45175.800000112.1I32 S33 L39 A40 Y54 L57I32-A36 VanDerWaalsContact O-CB 3.29Å; I32-A36 WeakPolarHBondContact O-CB 3.34Å; I32-A36 PolarHBondContact O-N 2.9Å; S33-A36 PolarHBondContact O-N 2.72Å; A36-L39 PolarHBondContact O-N 3.47Å; A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 3.48Å; A36-Y54 HydrophobicContact CB-CD2 3.66Å; A36-Y54 HydrophobicContact CB-CE2 4.04Å; A36-L57 HydrophobicContact CB-CD2 3.8Å
37S84.3Confident83.5Confident68 Ų6874 Ų7448%0.47641%0.411SS..Hα-helixtrans-65.2-41.5177.1-62.60000112.7S33 E34 C35 A40 S41S33-S37 PolarHBondContact O-N 2.92Å; S33-S37 PolarHBondContact O-OG 3.45Å; S33-S37 VanDerWaalsContact O-OG 3.13Å; E34-S37 PolarHBondContact O-N 2.98Å; C35-S37 PolarHBondContact O-N 3.24Å; S37-A40 PolarHBondContact O-N 2.71Å; S37-S41 PolarHBondContact O-N 2.98Å; S37-S41 PolarHBondContact O-OG 3.06Å
38Q85.8Confident83.7Confident113 Ų11374.9 Ų74.953%0.52842%0.415SS..Hα-helixtrans-62.9-43.6176.1-76.717812.300112E34 C35 A42E34-Q38 WeakPolarHBondContact O-CB 3.28Å; E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.49Å; E34-Q38 PolarHBondContact O-N 3.45Å; C35-Q38 PolarHBondContact O-N 3.11Å; Q38-A42 VanDerWaalsContact O-CB 3.25Å; Q38-A42 WeakPolarHBondContact O-CB 3.45Å; Q38-A42 PolarHBondContact O-N 3.05Å
39L86.5Confident84Confident10 Ų1072.5 Ų72.55%0.05240%0.403CS..Hα-helixtrans-68-41.4177.2-68.2168.4000112E22 C35 A36 S41 A42 Y43 F53 L57E22-L39 HydrophobicContact CB-CD2 3.77Å; E22-L39 HydrophobicContact CG-CD2 3.68Å; C35-L39 WeakPolarHBondContact O-CG 3.44Å; C35-L39 PolarHBondContact O-N 3.47Å; A36-L39 PolarHBondContact O-N 3.47Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.13Å; L39-A42 PolarHBondContact O-N 3.34Å; L39-A42 VanDerWaalsContact O-N 3.15Å; L39-Y43 HydrophobicContact CD2-CD2 4.45Å; L39-Y43 HydrophobicContact CD2-CE2 4.22Å; L39-Y43 PolarHBondContact O-N 2.76Å; L39-F53 HydrophobicContact CB-CE1 3.97Å; L39-F53 HydrophobicContact CB-CZ 3.59Å; L39-F53 HydrophobicContact CD1-CZ 3.9Å; L39-F53 HydrophobicContact CG-CZ 4.36Å; L39-L57 HydrophobicContact CD1-CD1 3.87Å; L39-L57 HydrophobicContact CD1-CD2 3.74Å; L39-L57 HydrophobicContact CD1-CG 4.48Å
40A85.8Confident84.2Confident33 Ų3365.1 Ų65.127%0.27338%0.383SS..Hα-helixtrans-60.2-41176.600000112.3A36 S37 D44 I45A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 3.48Å; S37-A40 PolarHBondContact O-N 2.71Å; A40-D44 PolarHBondContact O-N 3.42Å; A40-I45 HydrophobicContact CB-CB 4.39Å; A40-I45 HydrophobicContact CB-CD1 4.48Å; A40-I45 PolarHBondContact O-N 2.95Å; A40-I45 VanDerWaalsContact O-N 3.13Å
41S83.9Confident84.4Confident100 Ų10068.7 Ų68.770%0.69940%0.396SS*.Hα-helixtrans-76.7-20.6174.6-61.30000114.6S37 L39S37-S41 PolarHBondContact O-N 2.98Å; S37-S41 PolarHBondContact O-OG 3.06Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.13Å
42A86.4Confident84.5Confident74 Ų7467.2 Ų67.261%0.61239%0.387SS*.Hα-helixtrans-86.8-27.317900000113.3Q38 L39Q38-A42 VanDerWaalsContact O-CB 3.25Å; Q38-A42 WeakPolarHBondContact O-CB 3.45Å; Q38-A42 PolarHBondContact O-N 3.05Å; L39-A42 PolarHBondContact O-N 3.34Å; L39-A42 VanDerWaalsContact O-N 3.15Å
43Y85.2Confident84.7Confident79 Ų7965 Ų6531%0.3138%0.375SS..THydrogen-bonded Turntrans-113.813.3-176.2-74-94.2000113.6V20 K21 E22 L39 I45V20-Y43 HydrophobicContact CB-CD1 4.18Å; V20-Y43 HydrophobicContact CB-CE1 4.38Å; V20-Y43 HydrophobicContact CB-CG 4.33Å; V20-Y43 HydrophobicContact CG1-CD1 4.11Å; V20-Y43 HydrophobicContact CG1-CD2 3.81Å; V20-Y43 HydrophobicContact CG1-CE1 4.11Å; V20-Y43 HydrophobicContact CG1-CE2 3.83Å; V20-Y43 HydrophobicContact CG1-CG 3.97Å; V20-Y43 HydrophobicContact CG2-CD1 3.94Å; V20-Y43 HydrophobicContact CG2-CD2 4.48Å; V20-Y43 HydrophobicContact CG2-CG 3.86Å; K21-Y43 PolarHBondContact O-OH 2.85Å; E22-Y43 HydrophobicContact CB-CE2 4.47Å; E22-Y43 WeakPolarHBondContact OE2-CE2 3.44Å; E22-Y43 PolarHBondContact OE2-OH 2.98Å; L39-Y43 HydrophobicContact CD2-CD2 4.45Å; L39-Y43 HydrophobicContact CD2-CE2 4.22Å; L39-Y43 PolarHBondContact O-N 2.76Å; Y43-I45 VanDerWaalsContact C-N 3.26Å; Y43-I45 PolarHBondContact O-N 3.44Å
44D83.1Confident85Confident146 Ų14666.8 Ų66.878%0.78137%0.373SS*.THydrogen-bonded Turntrans44.648.1-177.5-75.8-32.1000113A40 P46A40-D44 PolarHBondContact O-N 3.42Å; D44-P46 VanDerWaalsContact O-CD 3.3Å; D44-P46 WeakPolarHBondContact O-CD 3.22Å
45I82.5Confident85Confident17 Ų1767 Ų679%0.08737%0.374CS..  trans-70.3118.3-173.2-57-177.9000109.6V18 V20 A40 Y43 A49 F53V18-I45 HydrophobicContact CG1-CG1 4.36Å; V18-I45 HydrophobicContact CG1-CG2 4.41Å; V20-I45 HydrophobicContact CG2-CD1 3.92Å; V20-I45 HydrophobicContact CG2-CG1 4.39Å; A40-I45 HydrophobicContact CB-CB 4.39Å; A40-I45 HydrophobicContact CB-CD1 4.48Å; A40-I45 PolarHBondContact O-N 2.95Å; A40-I45 VanDerWaalsContact O-N 3.13Å; Y43-I45 VanDerWaalsContact C-N 3.26Å; Y43-I45 PolarHBondContact O-N 3.44Å; I45-A49 HydrophobicContact CG2-CB 3.87Å; I45-F53 HydrophobicContact CD1-CD1 3.74Å; I45-F53 HydrophobicContact CD1-CD2 3.61Å; I45-F53 HydrophobicContact CD1-CE1 3.68Å; I45-F53 HydrophobicContact CD1-CE2 3.53Å; I45-F53 HydrophobicContact CD1-CG 3.71Å; I45-F53 HydrophobicContact CD1-CZ 3.59Å
46P81.2Confident85.1Confident47 Ų4771.6 Ų71.631%0.30539%0.393SS..  trans-70.7151.4-177.525.8-30.9000112V16 V18 D44 V48 A49 S50V16-P46 HydrophobicContact CG1-CG 3.6Å; V18-P46 HydrophobicContact CG2-CG 4.15Å; D44-P46 VanDerWaalsContact O-CD 3.3Å; D44-P46 WeakPolarHBondContact O-CD 3.22Å; P46-V48 PolarHBondContact O-N 3.13Å; P46-A49 HydrophobicContact CG-CB 4.3Å; P46-A49 PolarHBondContact O-N 3.47Å; P46-S50 PolarHBondContact O-N 3.45Å; P46-S50 VanDerWaalsContact O-N 3.14Å
47D81.3Confident85.2Confident148 Ų14871.2 Ų71.279%0.79139%0.389SS*.Hα-helixtrans-51.3-34.5-176.6-72.5-28.6000113.6A49 S50D47-A49 VanDerWaalsContact C-N 3.27Å; D47-A49 PolarHBondContact O-N 3.08Å; D47-S50 WeakPolarHBondContact O-CB 3.4Å; D47-S50 PolarHBondContact O-N 3.21Å; D47-S50 PolarHBondContact O-OG 3.36Å
48V80.4Confident85.5Confident107 Ų10769.4 Ų69.465%0.64838%0.376SS*.Hα-helixtrans-60.2-35.5177.4-1710000112.2F12 P46F12-V48 HydrophobicContact CB-CG1 4.42Å; F12-V48 HydrophobicContact CD1-CG1 4.25Å; P46-V48 PolarHBondContact O-N 3.13Å
49A83.5Confident85.6Confident0 Ų069 Ų690%038%0.378CS..Hα-helixtrans-90.8-21.6179.500000113.2F12 V18 I45 P46 D47 K51 V52 F53F12-A49 HydrophobicContact CD2-CB 3.92Å; F12-A49 HydrophobicContact CE1-CB 4.11Å; F12-A49 HydrophobicContact CE2-CB 3.41Å; F12-A49 VanDerWaalsContact CE2-CB 3.41Å; F12-A49 HydrophobicContact CG-CB 4.48Å; F12-A49 HydrophobicContact CZ-CB 3.53Å; V18-A49 HydrophobicContact CG2-CB 3.84Å; I45-A49 HydrophobicContact CG2-CB 3.87Å; P46-A49 HydrophobicContact CG-CB 4.3Å; P46-A49 PolarHBondContact O-N 3.47Å; D47-A49 VanDerWaalsContact C-N 3.27Å; D47-A49 PolarHBondContact O-N 3.08Å; A49-K51 VanDerWaalsContact C-N 3.28Å; A49-K51 PolarHBondContact O-N 3.13Å; A49-K51 VanDerWaalsContact O-N 3.14Å; A49-V52 PolarHBondContact O-N 2.78Å; A49-F53 WeakPolarHBondContact O-CB 3.43Å; A49-F53 PolarHBondContact O-N 2.99Å
50S81.9Confident85.8Confident52 Ų5270.7 Ų70.736%0.36439%0.385SS..Hα-helixtrans-50.4-42.6-171.468.70000114.3P46 D47 Y54P46-S50 PolarHBondContact O-N 3.45Å; P46-S50 VanDerWaalsContact O-N 3.14Å; D47-S50 WeakPolarHBondContact O-CB 3.4Å; D47-S50 PolarHBondContact O-N 3.21Å; D47-S50 PolarHBondContact O-OG 3.36Å; S50-Y54 WeakPolarHBondContact O-CB 3.33Å; S50-Y54 PolarHBondContact O-N 3.41Å
51K84.7Confident86Confident144 Ų14469.4 Ų69.463%0.62637%0.373SS*.Hα-helixtrans-71.3-44.8-177-167.6-176.6177.2-166.60112.4A49 Y54 E55A49-K51 VanDerWaalsContact C-N 3.28Å; A49-K51 PolarHBondContact O-N 3.13Å; A49-K51 VanDerWaalsContact O-N 3.14Å; K51-Y54 PolarHBondContact O-N 3.3Å; K51-E55 WeakPolarHBondContact CE-OE1 3.3Å; K51-E55 PolarHBondContact O-N 2.98Å
52V87.7Confident86.1Confident47 Ų4767.2 Ų67.229%0.28536%0.358SS..Hα-helixtrans-69.8-39.1-179.9-169.30000110.4E10 F12 A49 E55 K56E10-V52 WeakPolarHBondContact OE2-CG1 3.41Å; F12-V52 HydrophobicContact CE1-CB 4.45Å; F12-V52 HydrophobicContact CE1-CG2 4.13Å; F12-V52 HydrophobicContact CZ-CB 4.41Å; A49-V52 PolarHBondContact O-N 2.78Å; V52-E55 PolarHBondContact O-N 3.44Å; V52-K56 WeakPolarHBondContact O-CG 3.22Å; V52-K56 PolarHBondContact O-N 2.98Å
53F88.8Confident86.2Confident3 Ų369.7 Ų69.71%0.01336%0.357CS..Hα-helixtrans-57.6-47.1171.2177.3-99.2000112.1F6 F8 V20 L39 I45 A49 K56 L57F6-F53 AromaticContact CE1-CE2 3.81Å; F6-F53 HydrophobicContact CE1-CE2 3.81Å; F6-F53 HydrophobicContact CE1-CZ 4.35Å; F6-F53 HydrophobicContact CZ-CE2 4.35Å; F8-F53 AromaticContact CD1-CD2 3.89Å; F8-F53 HydrophobicContact CD1-CD2 3.89Å; F8-F53 HydrophobicContact CE1-CD2 4.15Å; F8-F53 HydrophobicContact CG-CD2 4.14Å; F8-F53 HydrophobicContact CZ-CB 4.42Å; V20-F53 HydrophobicContact CB-CE2 4.23Å; V20-F53 HydrophobicContact CG1-CE2 4.1Å; V20-F53 HydrophobicContact CG2-CE2 4.01Å; L39-F53 HydrophobicContact CB-CE1 3.97Å; L39-F53 HydrophobicContact CB-CZ 3.59Å; L39-F53 HydrophobicContact CD1-CZ 3.9Å; L39-F53 HydrophobicContact CG-CZ 4.36Å; I45-F53 HydrophobicContact CD1-CD1 3.74Å; I45-F53 HydrophobicContact CD1-CD2 3.61Å; I45-F53 HydrophobicContact CD1-CE1 3.68Å; I45-F53 HydrophobicContact CD1-CE2 3.53Å; I45-F53 HydrophobicContact CD1-CG 3.71Å; I45-F53 HydrophobicContact CD1-CZ 3.59Å; A49-F53 WeakPolarHBondContact O-CB 3.43Å; A49-F53 PolarHBondContact O-N 2.99Å; F53-K56 PolarHBondContact O-N 3.35Å; F53-L57 HydrophobicContact CE1-CD2 3.97Å; F53-L57 HydrophobicContact CZ-CD2 4.19Å; F53-L57 VanDerWaalsContact O-CB 3.25Å; F53-L57 WeakPolarHBondContact O-CB 3.49Å; F53-L57 PolarHBondContact O-N 3.22Å
54Y89.8Confident86.2Confident105 Ų10567 Ų6741%0.41235%0.348SS..Hα-helixtrans-62-45.1178.2-176.2-86.7000112.3I32 A36 S50 K51 L57 S58I32-Y54 HydrophobicContact CG2-CE2 4.24Å; A36-Y54 HydrophobicContact CB-CD2 3.66Å; A36-Y54 HydrophobicContact CB-CE2 4.04Å; S50-Y54 WeakPolarHBondContact O-CB 3.33Å; S50-Y54 PolarHBondContact O-N 3.41Å; K51-Y54 PolarHBondContact O-N 3.3Å; Y54-L57 PolarHBondContact O-N 2.91Å; Y54-S58 WeakPolarHBondContact O-CB 3.48Å; Y54-S58 PolarHBondContact O-N 3.09Å
55E88.5Confident86.3Confident97 Ų9762.4 Ų62.445%0.45333%0.325SS..Hα-helixtrans-60.1-50.2177.2-73.6173-171.100110.9K51 V52 L57 S58 D59K51-E55 WeakPolarHBondContact CE-OE1 3.3Å; K51-E55 PolarHBondContact O-N 2.98Å; V52-E55 PolarHBondContact O-N 3.44Å; E55-L57 PolarHBondContact O-N 3.23Å; E55-S58 PolarHBondContact O-N 3.21Å; E55-D59 PolarHBondContact O-N 2.92Å
56K88.7Confident86.2Confident105 Ų10564.8 Ų64.846%0.45734%0.34SS..Hα-helixtrans-61.8-40.5177.8-73.1-63.7-173.5-173.60114F8 V52 F53 F60F8-K56 HydrophobicContact CD2-CB 4.12Å; F8-K56 HydrophobicContact CD2-CG 4.15Å; F8-K56 HydrophobicContact CE2-CB 4.32Å; F8-K56 HydrophobicContact CE2-CG 4.03Å; V52-K56 WeakPolarHBondContact O-CG 3.22Å; V52-K56 PolarHBondContact O-N 2.98Å; F53-K56 PolarHBondContact O-N 3.35Å; K56-F60 WeakPolarHBondContact O-CB 3.35Å; K56-F60 PolarHBondContact O-N 3.12Å; K56-F60 VanDerWaalsContact O-N 3.12Å
57L90.2Very high86.3Confident0 Ų064.7 Ų64.70%034%0.337CS..Hα-helixtrans-68.2-40.7177.1-17866.7000111.3F6 L24 A36 L39 F53 Y54 E55 F60 I61F6-L57 HydrophobicContact CD1-CD1 4.19Å; F6-L57 HydrophobicContact CD2-CD1 4.18Å; F6-L57 HydrophobicContact CE1-CD1 4.03Å; F6-L57 HydrophobicContact CE2-CB 4.41Å; F6-L57 HydrophobicContact CE2-CD1 4.02Å; F6-L57 HydrophobicContact CG-CD1 4.25Å; F6-L57 HydrophobicContact CZ-CB 4.08Å; F6-L57 HydrophobicContact CZ-CD1 3.93Å; L24-L57 HydrophobicContact CD1-CD1 3.95Å; A36-L57 HydrophobicContact CB-CD2 3.8Å; L39-L57 HydrophobicContact CD1-CD1 3.87Å; L39-L57 HydrophobicContact CD1-CD2 3.74Å; L39-L57 HydrophobicContact CD1-CG 4.48Å; F53-L57 HydrophobicContact CE1-CD2 3.97Å; F53-L57 HydrophobicContact CZ-CD2 4.19Å; F53-L57 VanDerWaalsContact O-CB 3.25Å; F53-L57 WeakPolarHBondContact O-CB 3.49Å; F53-L57 PolarHBondContact O-N 3.22Å; Y54-L57 PolarHBondContact O-N 2.91Å; E55-L57 PolarHBondContact O-N 3.23Å; L57-F60 PolarHBondContact O-N 3.46Å; L57-I61 HydrophobicContact CD1-CD1 3.85Å; L57-I61 HydrophobicContact CD1-CG1 4.29Å; L57-I61 HydrophobicContact CD2-CD1 4.42Å; L57-I61 HydrophobicContact CG-CD1 3.73Å; L57-I61 WeakPolarHBondContact O-CB 3.31Å; L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3Å
58S89.3Confident86.3Confident30 Ų3059.8 Ų59.821%0.2131%0.311CS..Hα-helixtrans-63.4-44.2176.9-177.10000111.9Y54 E55 S62Y54-S58 WeakPolarHBondContact O-CB 3.48Å; Y54-S58 PolarHBondContact O-N 3.09Å; E55-S58 PolarHBondContact O-N 3.21Å; S58-S62 VanDerWaalsContact O-CB 3.27Å; S58-S62 WeakPolarHBondContact O-CB 3.22Å; S58-S62 PolarHBondContact O-N 2.8Å; S58-S62 PolarHBondContact O-OG 3.02Å
59D89.1Confident86.1Confident106 Ų10661 Ų6157%0.56731%0.308SS*.Hα-helixtrans-59.9-50.6175.5-74.5-14.9000111.1E55 I61 S62 E63E55-D59 PolarHBondContact O-N 2.92Å; D59-I61 PolarHBondContact O-N 3.34Å; D59-S62 PolarHBondContact O-N 3.15Å; D59-E63 PolarHBondContact O-N 3.37Å
60F90.9Very high85.9Confident45 Ų4566.5 Ų66.520%0.19733%0.331CS..Hα-helixtrans-60.4-46.9180179.1-93.1000112.8V4 L5 F6 L24 F26 K56 L57 S62 E63 E64V4-F60 HydrophobicContact CB-CZ 4.17Å; V4-F60 HydrophobicContact CG1-CE2 4.38Å; V4-F60 HydrophobicContact CG1-CZ 3.68Å; L5-F60 WeakPolarHBondContact O-CZ 3.44Å; F6-F60 HydrophobicContact CB-CD1 4.32Å; F6-F60 HydrophobicContact CB-CE1 3.96Å; F6-F60 HydrophobicContact CB-CZ 4.2Å; F6-F60 HydrophobicContact CD2-CB 3.95Å; F6-F60 AromaticContact CD2-CD1 3.66Å; F6-F60 HydrophobicContact CD2-CD1 3.66Å; F6-F60 HydrophobicContact CD2-CD2 4.06Å; F6-F60 HydrophobicContact CD2-CE1 4.12Å; F6-F60 HydrophobicContact CD2-CE2 4.46Å; F6-F60 AromaticContact CD2-CG 3.62Å; F6-F60 HydrophobicContact CD2-CG 3.62Å; F6-F60 HydrophobicContact CD2-CZ 4.48Å; F6-F60 HydrophobicContact CE2-CB 3.99Å; F6-F60 HydrophobicContact CE2-CD1 4.48Å; F6-F60 HydrophobicContact CE2-CG 4.18Å; F6-F60 HydrophobicContact CG-CD1 4.4Å; L24-F60 HydrophobicContact CD1-CD1 4.14Å; L24-F60 HydrophobicContact CD1-CE1 3.98Å; F26-F60 HydrophobicContact CE2-CE1 4.39Å; F26-F60 HydrophobicContact CZ-CE1 4.39Å; K56-F60 WeakPolarHBondContact O-CB 3.35Å; K56-F60 PolarHBondContact O-N 3.12Å; K56-F60 VanDerWaalsContact O-N 3.12Å; L57-F60 PolarHBondContact O-N 3.46Å; F60-S62 VanDerWaalsContact C-N 3.3Å; F60-S62 PolarHBondContact O-N 3.03Å; F60-E63 PolarHBondContact O-N 2.85Å; F60-E64 HydrophobicContact CE1-CG 4.41Å; F60-E64 HydrophobicContact CE2-CG 4.45Å; F60-E64 HydrophobicContact CZ-CG 4.23Å; F60-E64 PolarHBondContact O-N 2.97Å
61I89.1Confident85.8Confident5 Ų567.7 Ų67.73%0.02633%0.334CS..Hα-helixtrans-64.2-38.2177.9-67.6165.7000110.5L24 F26 M28 I32 L57 D59 T65L24-I61 HydrophobicContact CD1-CG1 4.26Å; F26-I61 HydrophobicContact CE1-CG2 4.46Å; M28-I61 HydrophobicContact CE-CD1 4.01Å; M28-I61 HydrophobicContact CE-CG2 4.31Å; M28-I61 HydrophobicContact SD-CD1 3.78Å; M28-I61 HydrophobicContact SD-CG1 4.07Å; M28-I61 HydrophobicContact SD-CG2 3.99Å; I32-I61 HydrophobicContact CD1-CG2 4.3Å; I32-I61 HydrophobicContact CG1-CD1 4.32Å; I32-I61 HydrophobicContact CG1-CG2 4.05Å; I32-I61 HydrophobicContact CG2-CD1 4.33Å; L57-I61 HydrophobicContact CD1-CD1 3.85Å; L57-I61 HydrophobicContact CD1-CG1 4.29Å; L57-I61 HydrophobicContact CD2-CD1 4.42Å; L57-I61 HydrophobicContact CG-CD1 3.73Å; L57-I61 WeakPolarHBondContact O-CB 3.31Å; L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3Å; D59-I61 PolarHBondContact O-N 3.34Å; I61-T65 WeakPolarHBondContact O-CB 3.37Å; I61-T65 PolarHBondContact O-N 2.82Å; I61-T65 PolarHBondContact O-OG1 3.45Å
62S85.6Confident85.4Confident55 Ų5566.1 Ų66.139%0.38533%0.329SS..Hα-helixtrans-66.8-42.2178.6-60.30000112S58 D59 F60 T66S58-S62 VanDerWaalsContact O-CB 3.27Å; S58-S62 WeakPolarHBondContact O-CB 3.22Å; S58-S62 PolarHBondContact O-N 2.8Å; S58-S62 PolarHBondContact O-OG 3.02Å; D59-S62 PolarHBondContact O-N 3.15Å; F60-S62 VanDerWaalsContact C-N 3.3Å; F60-S62 PolarHBondContact O-N 3.03Å; S62-T66 WeakPolarHBondContact O-CB 3.4Å; S62-T66 PolarHBondContact O-N 3.06Å; S62-T66 PolarHBondContact O-OG1 2.97Å
63E88.6Confident84.7Confident126 Ų12671.2 Ų71.259%0.58934%0.344SS*.Hα-helixtrans-64.6-49.8176.1-175.3172.2-169.700111.6D59 F60 T66 N67D59-E63 PolarHBondContact O-N 3.37Å; F60-E63 PolarHBondContact O-N 2.85Å; E63-T66 WeakPolarHBondContact O-CB 3.26Å; E63-T66 PolarHBondContact O-N 3.22Å; E63-N67 PolarHBondContact O-N 3.43Å; E63-N67 PolarHBondContact O-ND2 2.81Å
64E86.2Confident84.2Confident23 Ų2375.7 Ų75.711%0.10737%0.367CS..Hα-helixtrans-71.6-32.5-178.1-77.8-67.1-16500113.6R2 V4 F26 F60 T66 N67 D68R2-E64 IonicContact CZ-OE1 3.52Å; R2-E64 IonicContact CZ-OE2 2.72Å; R2-E64 IonicContact NH1-OE1 4Å; R2-E64 IonicContact NH1-OE2 3.81Å; R2-E64 PolarHBondContact NH1-OE2 3.38Å; R2-E64 IonicContact NH2-OE1 3.64Å; R2-E64 PolarHBondContact NH2-OE1 3.32Å; R2-E64 IonicContact NH2-OE2 3.2Å; R2-E64 PolarHBondContact NH2-OE2 3.5Å; V4-E64 HydrophobicContact CG1-CG 4.27Å; V4-E64 WeakPolarHBondContact CG1-OE1 3.28Å; V4-E64 HydrophobicContact CG2-CG 4.41Å; F26-E64 HydrophobicContact CD1-CB 4.2Å; F26-E64 HydrophobicContact CE1-CB 3.62Å; F26-E64 HydrophobicContact CE2-CB 3.99Å; F26-E64 HydrophobicContact CZ-CB 3.49Å; F26-E64 VanDerWaalsContact CZ-CB 3.49Å; F26-E64 HydrophobicContact CZ-CG 4.37Å; F60-E64 HydrophobicContact CE1-CG 4.41Å; F60-E64 HydrophobicContact CE2-CG 4.45Å; F60-E64 HydrophobicContact CZ-CG 4.23Å; F60-E64 PolarHBondContact O-N 2.97Å; E64-T66 VanDerWaalsContact C-N 3.33Å; E64-N67 PolarHBondContact O-N 2.91Å; E64-D68 PolarHBondContact O-N 2.91Å
65T83.4Confident83.7Confident48 Ų4876 Ų7629%0.29437%0.371SS..Hα-helixtrans-61.5-44.5168.9-60.30000110.4I61 N67 D68 F69I61-T65 WeakPolarHBondContact O-CB 3.37Å; I61-T65 PolarHBondContact O-N 2.82Å; I61-T65 PolarHBondContact O-OG1 3.45Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 3.13Å; T65-D68 PolarHBondContact O-N 3.45Å; T65-F69 HydrophobicContact CG2-CD2 3.79Å; T65-F69 HydrophobicContact CG2-CE2 3.75Å; T65-F69 VanDerWaalsContact O-CD2 3.27Å; T65-F69 WeakPolarHBondContact O-CD2 3.48Å; T65-F69 PolarHBondContact O-N 2.8Å
66T82.1Confident82.8Confident68 Ų6874.4 Ų74.442%0.41737%0.365SS..Hα-helixtrans-61.8-37.5175.8-60.10000111.8S62 E63 E64 K70S62-T66 WeakPolarHBondContact O-CB 3.4Å; S62-T66 PolarHBondContact O-N 3.06Å; S62-T66 PolarHBondContact O-OG1 2.97Å; E63-T66 WeakPolarHBondContact O-CB 3.26Å; E63-T66 PolarHBondContact O-N 3.22Å; E64-T66 VanDerWaalsContact C-N 3.33Å; T66-K70 HydrophobicContact CG2-CD 4.35Å; T66-K70 VanDerWaalsContact O-CG 3.28Å; T66-K70 WeakPolarHBondContact O-CG 3.38Å; T66-K70 PolarHBondContact O-N 2.97Å
67N83.6Confident82.1Confident44 Ų4472.1 Ų72.124%0.23536%0.36CS..Hα-helixtrans-71.1-42.7177.5-68.7-24.7000112.3E63 E64 T65 F69 K70 D71E63-N67 PolarHBondContact O-N 3.43Å; E63-N67 PolarHBondContact O-ND2 2.81Å; E64-N67 PolarHBondContact O-N 2.91Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 3.13Å; N67-F69 VanDerWaalsContact C-N 3.34Å; N67-F69 PolarHBondContact O-N 3.48Å; N67-K70 WeakPolarHBondContact O-CB 3.35Å; N67-K70 PolarHBondContact O-N 2.93Å; N67-K70 PolarHBondContact OD1-NZ 3.4Å; N67-D71 WeakPolarHBondContact O-CB 3.34Å; N67-D71 PolarHBondContact O-N 2.86Å
68D80Confident81.3Confident45 Ų4576.4 Ų76.424%0.24138%0.383CS..Hα-helixtrans-62.9-39.6174.9-161.858000111.7E64 T65 D71 H72E64-D68 PolarHBondContact O-N 2.91Å; T65-D68 PolarHBondContact O-N 3.45Å; D68-D71 PolarHBondContact O-N 3.38Å; D68-H72 WeakPolarHBondContact O-CB 3.4Å; D68-H72 PolarHBondContact O-N 2.71Å
69F75.8Confident80.4Confident133 Ų13380 Ų8058%0.58340%0.399SS*.Hα-helixtrans-61.3-45.6171-89.3-67.5000112.8T65 N67 D71 H72 Y73T65-F69 HydrophobicContact CG2-CD2 3.79Å; T65-F69 HydrophobicContact CG2-CE2 3.75Å; T65-F69 VanDerWaalsContact O-CD2 3.27Å; T65-F69 WeakPolarHBondContact O-CD2 3.48Å; T65-F69 PolarHBondContact O-N 2.8Å; N67-F69 VanDerWaalsContact C-N 3.34Å; N67-F69 PolarHBondContact O-N 3.48Å; F69-D71 VanDerWaalsContact C-N 3.35Å; F69-H72 PolarHBondContact O-N 3.4Å; F69-Y73 WeakPolarHBondContact O-CB 3.07Å; F69-Y73 PolarHBondContact O-N 2.96Å
70K80.6Confident79.1Confident115 Ų11578.7 Ų78.750%0.539%0.392SS..Hα-helixtrans-59.7-45.2174.6-75.9166.6-175.6161.50111.1T66 N67 H72 Y73 L74T66-K70 HydrophobicContact CG2-CD 4.35Å; T66-K70 VanDerWaalsContact O-CG 3.28Å; T66-K70 WeakPolarHBondContact O-CG 3.38Å; T66-K70 PolarHBondContact O-N 2.97Å; N67-K70 WeakPolarHBondContact O-CB 3.35Å; N67-K70 PolarHBondContact O-N 2.93Å; N67-K70 PolarHBondContact OD1-NZ 3.4Å; K70-H72 PolarHBondContact O-N 3.31Å; K70-Y73 PolarHBondContact O-N 3.46Å; K70-L74 WeakPolarHBondContact O-CB 3.4Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 2.94Å
71D79.7Confident77.9Confident77 Ų7783.8 Ų83.841%0.41241%0.414SS..Hα-helixtrans-65.4-38.8-178.4-128.444.1000111.8N67 D68 F69 K75N67-D71 WeakPolarHBondContact O-CB 3.34Å; N67-D71 PolarHBondContact O-N 2.86Å; D68-D71 PolarHBondContact O-N 3.38Å; F69-D71 VanDerWaalsContact C-N 3.35Å; D71-K75 WeakPolarHBondContact O-CB 3.01Å; D71-K75 WeakPolarHBondContact O-CD 3.27Å; D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.4Å; D71-K75 PolarHBondContact O-N 3.03Å; D71-K75 IonicContact OD2-NZ 2.88Å; D71-K75 PolarHBondContact OD2-NZ 3.27Å
72H76.3Confident76.7Confident112 Ų11288.2 Ų88.252%0.51945%0.446SS..Hα-helixtrans-66-46.3173.2-169.780.2000111.8D68 F69 K70 K75 L76D68-H72 WeakPolarHBondContact O-CB 3.4Å; D68-H72 PolarHBondContact O-N 2.71Å; F69-H72 PolarHBondContact O-N 3.4Å; K70-H72 PolarHBondContact O-N 3.31Å; H72-K75 PolarHBondContact O-N 3.41Å; H72-L76 PolarHBondContact O-N 2.9Å
73Y73Confident75.3Confident154 Ų15488.5 Ų88.560%0.60444%0.443SS*.Hα-helixtrans-63-41.3175.4-102.3-84.7000112.6F69 K70 K75 L76 V77F69-Y73 WeakPolarHBondContact O-CB 3.07Å; F69-Y73 PolarHBondContact O-N 2.96Å; K70-Y73 PolarHBondContact O-N 3.46Å; Y73-K75 VanDerWaalsContact C-N 3.35Å; Y73-K75 PolarHBondContact O-N 3.07Å; Y73-L76 PolarHBondContact O-N 3.21Å; Y73-V77 WeakPolarHBondContact O-CB 3.37Å; Y73-V77 VanDerWaalsContact O-CG2 3.3Å; Y73-V77 WeakPolarHBondContact O-CG2 3.17Å; Y73-V77 PolarHBondContact O-N 3.23Å
74L78.4Confident73.9Confident96 Ų9687.4 Ų87.450%0.50344%0.444SS..Hα-helixtrans-65.2-38177-74.8169.1000111.6K70 N78K70-L74 WeakPolarHBondContact O-CB 3.4Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 2.94Å; L74-N78 VanDerWaalsContact O-CB 3.26Å; L74-N78 WeakPolarHBondContact O-CB 3.31Å; L74-N78 PolarHBondContact O-N 3.14Å; L74-N78 PolarHBondContact O-ND2 3.43Å
75K78.1Confident72.7Confident113 Ų11391.3 Ų91.349%0.49147%0.474SS..Hα-helixtrans-63.7-45.3171.6-74.8162.5-171142.30111.6D71 H72 Y73 N78 N79D71-K75 WeakPolarHBondContact O-CB 3.01Å; D71-K75 WeakPolarHBondContact O-CD 3.27Å; D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.4Å; D71-K75 PolarHBondContact O-N 3.03Å; D71-K75 IonicContact OD2-NZ 2.88Å; D71-K75 PolarHBondContact OD2-NZ 3.27Å; H72-K75 PolarHBondContact O-N 3.41Å; Y73-K75 VanDerWaalsContact C-N 3.35Å; Y73-K75 PolarHBondContact O-N 3.07Å; K75-N78 PolarHBondContact O-N 3.09Å; K75-N79 WeakPolarHBondContact O-CB 3.28Å; K75-N79 PolarHBondContact O-N 3.49Å; K75-N79 PolarHBondContact O-ND2 2.87Å; K75-N79 PolarHBondContact O-OD1 3.06Å
76L70.5Confident71.6Confident63 Ų6391.9 Ų91.933%0.3348%0.475SS..Hα-helixtrans-59.7-47.8174.3-80.1165.1000112.2H72 Y73 N78 N79 L80H72-L76 PolarHBondContact O-N 2.9Å; Y73-L76 PolarHBondContact O-N 3.21Å; L76-N78 PolarHBondContact O-N 3.42Å; L76-N79 PolarHBondContact O-N 3.22Å; L76-L80 WeakPolarHBondContact O-CB 3.09Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 3.2Å
77V73Confident70.6Confident57 Ų5792.8 Ų92.835%0.34548%0.477SS..Hα-helixtrans-64.3-38.1178.4168.80000111.8Y73 L80 K81Y73-V77 WeakPolarHBondContact O-CB 3.37Å; Y73-V77 VanDerWaalsContact O-CG2 3.3Å; Y73-V77 WeakPolarHBondContact O-CG2 3.17Å; Y73-V77 PolarHBondContact O-N 3.23Å; V77-L80 PolarHBondContact O-N 3.48Å; V77-K81 HydrophobicContact CG1-CD 4.33Å; V77-K81 WeakPolarHBondContact O-CB 3.41Å; V77-K81 WeakPolarHBondContact O-CG 3.39Å; V77-K81 PolarHBondContact O-N 3.43Å
78N74.6Confident69.7Low90 Ų9098.9 Ų98.948%0.48150%0.504SS..Hα-helixtrans-70.2-40.2176.3-73.2-21.3000111.7L74 K75 L76 L80 K81 S82L74-N78 VanDerWaalsContact O-CB 3.26Å; L74-N78 WeakPolarHBondContact O-CB 3.31Å; L74-N78 PolarHBondContact O-N 3.14Å; L74-N78 PolarHBondContact O-ND2 3.43Å; K75-N78 PolarHBondContact O-N 3.09Å; L76-N78 PolarHBondContact O-N 3.42Å; N78-L80 VanDerWaalsContact C-N 3.35Å; N78-L80 PolarHBondContact O-N 2.95Å; N78-K81 PolarHBondContact O-N 3.42Å; N78-S82 PolarHBondContact O-N 3.31Å; N78-S82 PolarHBondContact O-OG 2.85Å
79N69.4Low68.9Low104 Ų104103.4 Ų103.456%0.55652%0.521SS*.Hα-helixtrans-61.3-42.9173-68.9-10000111.4K75 L76 K81 S82 D83K75-N79 WeakPolarHBondContact O-CB 3.28Å; K75-N79 PolarHBondContact O-N 3.49Å; K75-N79 PolarHBondContact O-ND2 2.87Å; K75-N79 PolarHBondContact O-OD1 3.06Å; L76-N79 PolarHBondContact O-N 3.22Å; N79-K81 VanDerWaalsContact C-N 3.33Å; N79-K81 PolarHBondContact O-N 3.37Å; N79-S82 WeakPolarHBondContact CA-OG 3.35Å; N79-S82 PolarHBondContact O-N 2.96Å; N79-S82 PolarHBondContact O-OG 2.9Å; N79-D83 PolarHBondContact O-N 2.73Å; N79-D83 VanDerWaalsContact O-N 3.13Å
80L61.3Low68Low79 Ų79101.8 Ų101.841%0.41452%0.515SS..Hα-helixtrans-63.4-34.8174-75.6164000112.8L76 V77 N78L76-L80 WeakPolarHBondContact O-CB 3.09Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 3.2Å; V77-L80 PolarHBondContact O-N 3.48Å; N78-L80 VanDerWaalsContact C-N 3.35Å; N78-L80 PolarHBondContact O-N 2.95Å
81K66.2Low67.2Low152 Ų15299.4 Ų99.466%0.66151%0.512SS*.Hα-helixtrans-72.8-32.4174.3-78.2176.2178.6178.60113.2V77 N78 N79V77-K81 HydrophobicContact CG1-CD 4.33Å; V77-K81 WeakPolarHBondContact O-CB 3.41Å; V77-K81 WeakPolarHBondContact O-CG 3.39Å; V77-K81 PolarHBondContact O-N 3.43Å; N78-K81 PolarHBondContact O-N 3.42Å; N79-K81 VanDerWaalsContact C-N 3.33Å; N79-K81 PolarHBondContact O-N 3.37Å
82S65.1Low66.5Low99 Ų9998.8 Ų98.869%0.69251%0.513SS*.Hα-helixtrans-79-22.4178.652.90000114.1N78 N79N78-S82 PolarHBondContact O-N 3.31Å; N78-S82 PolarHBondContact O-OG 2.85Å; N79-S82 WeakPolarHBondContact CA-OG 3.35Å; N79-S82 PolarHBondContact O-N 2.96Å; N79-S82 PolarHBondContact O-OG 2.9Å
83D55.2Low65.8Low61 Ų6197.6 Ų97.633%0.32651%0.514SS..  trans-134.765.5-171.8-163.4-2.3000112.3N79 S85 N86N79-D83 PolarHBondContact O-N 2.73Å; N79-D83 VanDerWaalsContact O-N 3.13Å; D83-S85 PolarHBondContact O-N 2.85Å; D83-S85 VanDerWaalsContact O-N 3.11Å; D83-S85 WeakPolarHBondContact OD1-CB 3.26Å; D83-S85 PolarHBondContact OD1-OG 3.35Å; D83-N86 PolarHBondContact O-N 2.89Å; D83-N86 VanDerWaalsContact O-N 3.1Å; D83-N86 PolarHBondContact OD2-ND2 3.44Å
84V60.2Low65Low102 Ų10296.2 Ų96.262%0.61851%0.511SS*.G310 helixtrans-55.4-26.9175.9-177.70000111.8N86 I87V84-N86 PolarHBondContact O-N 2.9Å; V84-I87 HydrophobicContact CG1-CD1 4.24Å
85S60.8Low64Low106 Ų10696.2 Ų96.274%0.74151%0.511SS*.G310 helixtrans-64.1-15.917712.80000115.2D83D83-S85 PolarHBondContact O-N 2.85Å; D83-S85 VanDerWaalsContact O-N 3.11Å; D83-S85 WeakPolarHBondContact OD1-CB 3.26Å; D83-S85 PolarHBondContact OD1-OG 3.35Å
86N59.4Low63Low59 Ų5993.3 Ų93.332%0.31651%0.506SS..G310 helixtrans-101.72.5-175.6-98.3-38000114.8D83 V84 K89 F90D83-N86 PolarHBondContact O-N 2.89Å; D83-N86 VanDerWaalsContact O-N 3.1Å; D83-N86 PolarHBondContact OD2-ND2 3.44Å; V84-N86 PolarHBondContact O-N 2.9Å; N86-K89 PolarHBondContact O-N 3.22Å; N86-K89 VanDerWaalsContact OD1-CD 3.25Å; N86-K89 WeakPolarHBondContact OD1-CD 3.4Å; N86-F90 PolarHBondContact O-N 3.42Å
87I62.1Low62Low87 Ų8792.6 Ų92.645%0.44651%0.506SS..Hα-helixtrans-61.5-47.8-176.9-64.3171.8000112V84 K89 F90 C91V84-I87 HydrophobicContact CG1-CD1 4.24Å; I87-K89 VanDerWaalsContact C-N 3.31Å; I87-K89 PolarHBondContact O-N 3Å; I87-F90 WeakPolarHBondContact O-CB 3.42Å; I87-F90 PolarHBondContact O-N 3.15Å; I87-F90 VanDerWaalsContact O-N 3.08Å; I87-C91 PolarHBondContact O-N 3.25Å; I87-C91 PolarHBondContact O-SG 3.04Å
88E63.8Low60.6Low172 Ų17293.4 Ų93.480%0.80451%0.514SS*.Hα-helixtrans-62.7-37.3177.3-72.9-175.1140.100112.5C91 S92E88-C91 PolarHBondContact O-N 3.45Å; E88-S92 WeakPolarHBondContact O-CB 3.32Å; E88-S92 PolarHBondContact O-N 3.43Å; E88-S92 PolarHBondContact O-OG 2.86Å
89K63.4Low59.4Low140 Ų14096.2 Ų96.261%0.60952%0.524SS*.Hα-helixtrans-63.2-43.6171.9-89176.4175.4173.60111N86 I87 S92 V93N86-K89 PolarHBondContact O-N 3.22Å; N86-K89 VanDerWaalsContact OD1-CD 3.25Å; N86-K89 WeakPolarHBondContact OD1-CD 3.4Å; I87-K89 VanDerWaalsContact C-N 3.31Å; I87-K89 PolarHBondContact O-N 3Å; K89-S92 WeakPolarHBondContact CA-OG 3.22Å; K89-S92 PolarHBondContact O-N 3.31Å; K89-S92 PolarHBondContact O-OG 2.91Å; K89-V93 WeakPolarHBondContact O-CB 3.24Å; K89-V93 VanDerWaalsContact O-CG2 3.28Å; K89-V93 WeakPolarHBondContact O-CG2 3.23Å; K89-V93 PolarHBondContact O-N 3.43Å
90F57.6Low58.1Low100 Ų10096.3 Ų96.344%0.43952%0.524SS..Hα-helixtrans-63.1-42.6177.9-127.8-97000112N86 I87 V93 F94N86-F90 PolarHBondContact O-N 3.42Å; I87-F90 WeakPolarHBondContact O-CB 3.42Å; I87-F90 PolarHBondContact O-N 3.15Å; I87-F90 VanDerWaalsContact O-N 3.08Å; F90-V93 PolarHBondContact O-N 3.47Å; F90-F94 AromaticContact CD1-CD2 3.95Å; F90-F94 HydrophobicContact CD1-CD2 3.95Å; F90-F94 AromaticContact CD1-CE2 4Å; F90-F94 HydrophobicContact CD1-CE2 4Å; F90-F94 HydrophobicContact CE1-CD2 4.24Å; F90-F94 AromaticContact CE1-CE2 3.84Å; F90-F94 HydrophobicContact CE1-CE2 3.84Å; F90-F94 WeakPolarHBondContact O-CB 3.4Å; F90-F94 PolarHBondContact O-N 2.88Å
91C62.4Low57Low65 Ų6595.7 Ų95.744%0.43952%0.522SS..Hα-helixtrans-59.4-51.3171.3-67.70000111.2I87 E88 V93 F94 D95I87-C91 PolarHBondContact O-N 3.25Å; I87-C91 PolarHBondContact O-SG 3.04Å; E88-C91 PolarHBondContact O-N 3.45Å; C91-V93 PolarHBondContact O-N 2.94Å; C91-F94 CarbonylContact O-C 3.59Å; C91-F94 WeakPolarHBondContact O-CA 3.48Å; C91-F94 PolarHBondContact O-N 2.9Å; C91-D95 WeakPolarHBondContact O-CB 3.28Å; C91-D95 VanDerWaalsContact O-CG 3.29Å; C91-D95 PolarHBondContact O-N 3.11Å
92S65.4Low55.7Low64 Ų6492.5 Ų92.545%0.44852%0.518SS..Hα-helixtrans-62.2-30.6178.874.20000113.4E88 K89 S96E88-S92 WeakPolarHBondContact O-CB 3.32Å; E88-S92 PolarHBondContact O-N 3.43Å; E88-S92 PolarHBondContact O-OG 2.86Å; K89-S92 WeakPolarHBondContact CA-OG 3.22Å; K89-S92 PolarHBondContact O-N 3.31Å; K89-S92 PolarHBondContact O-OG 2.91Å; S92-S96 VanDerWaalsContact O-CB 3.22Å; S92-S96 WeakPolarHBondContact O-CB 3.38Å; S92-S96 PolarHBondContact O-N 3.12Å; S92-S96 PolarHBondContact O-OG 3.38Å
93V62.9Low54.5Low86 Ų8694.1 Ų94.152%0.52152%0.524SS..Hα-helixtrans-74.6-36.1173.3170.10000110.9K89 F90 C91 S96 S97K89-V93 WeakPolarHBondContact O-CB 3.24Å; K89-V93 VanDerWaalsContact O-CG2 3.28Å; K89-V93 WeakPolarHBondContact O-CG2 3.23Å; K89-V93 PolarHBondContact O-N 3.43Å; F90-V93 PolarHBondContact O-N 3.47Å; C91-V93 PolarHBondContact O-N 2.94Å; V93-S96 WeakPolarHBondContact CA-OG 3.49Å; V93-S96 PolarHBondContact O-OG 3Å; V93-S97 WeakPolarHBondContact O-CA 3.34Å; V93-S97 WeakPolarHBondContact O-CB 3.36Å; V93-S97 PolarHBondContact O-N 3.32Å
94F54.5Low53.6Low125 Ų12595.4 Ų95.455%0.54854%0.538SS..Hα-helixtrans-70.8-38.6173.5-104.9-93.2000113F90 C91 S97 S98F90-F94 AromaticContact CD1-CD2 3.95Å; F90-F94 HydrophobicContact CD1-CD2 3.95Å; F90-F94 AromaticContact CD1-CE2 4Å; F90-F94 HydrophobicContact CD1-CE2 4Å; F90-F94 HydrophobicContact CE1-CD2 4.24Å; F90-F94 AromaticContact CE1-CE2 3.84Å; F90-F94 HydrophobicContact CE1-CE2 3.84Å; F90-F94 WeakPolarHBondContact O-CB 3.4Å; F90-F94 PolarHBondContact O-N 2.88Å; C91-F94 CarbonylContact O-C 3.59Å; C91-F94 WeakPolarHBondContact O-CA 3.48Å; C91-F94 PolarHBondContact O-N 2.9Å; F94-S97 PolarHBondContact O-N 3.23Å; F94-S98 WeakPolarHBondContact O-CB 3.35Å; F94-S98 PolarHBondContact O-N 3.47Å; F94-S98 PolarHBondContact O-OG 3.26Å
95D58.8Low52.5Low96 Ų9693.7 Ų93.751%0.51353%0.53SS..Hα-helixtrans-70.4-45.1177.2-65.8-30000110.8C91 S97 S98 H99C91-D95 WeakPolarHBondContact O-CB 3.28Å; C91-D95 VanDerWaalsContact O-CG 3.29Å; C91-D95 PolarHBondContact O-N 3.11Å; D95-S97 VanDerWaalsContact C-N 3.35Å; D95-S98 PolarHBondContact O-N 3.03Å; D95-H99 WeakPolarHBondContact O-CB 3.34Å; D95-H99 PolarHBondContact O-CD2 3.46Å; D95-H99 PolarHBondContact O-N 2.99Å
96S57.7Low51.4Low53 Ų5398.1 Ų98.137%0.37154%0.536SS..Hα-helixtrans-70.6-29.1173.8610000112.9S92 V93 N100S92-S96 VanDerWaalsContact O-CB 3.22Å; S92-S96 WeakPolarHBondContact O-CB 3.38Å; S92-S96 PolarHBondContact O-N 3.12Å; S92-S96 PolarHBondContact O-OG 3.38Å; V93-S96 WeakPolarHBondContact CA-OG 3.49Å; V93-S96 PolarHBondContact O-OG 3Å; S96-N100 WeakPolarHBondContact O-CB 3.28Å; S96-N100 VanDerWaalsContact O-CG 3.29Å; S96-N100 PolarHBondContact O-N 3.01Å; S96-N100 PolarHBondContact O-ND2 3.22Å; S96-N100 VanDerWaalsContact O-ND2 3.1Å
97S49.1Very low50.7Low47 Ų47100.2 Ų100.233%0.32955%0.553SS.*Hα-helixtrans-64.8-46.2167.4175.80000110.8V93 F94 D95 H99 N101V93-S97 WeakPolarHBondContact O-CA 3.34Å; V93-S97 WeakPolarHBondContact O-CB 3.36Å; V93-S97 PolarHBondContact O-N 3.32Å; F94-S97 PolarHBondContact O-N 3.23Å; D95-S97 VanDerWaalsContact C-N 3.35Å; S97-H99 PolarHBondContact O-N 3.49Å; S97-N101 WeakPolarHBondContact O-CB 3.34Å; S97-N101 VanDerWaalsContact O-CG 3.26Å; S97-N101 PolarHBondContact O-N 3.42Å; S97-N101 PolarHBondContact O-ND2 2.94Å; S97-N101 VanDerWaalsContact O-ND2 3.17Å; S97-N101 PolarHBondContact OG-ND2 3.48Å
98S43.6Very low50.2Low75 Ų75101.2 Ų101.252%0.52457%0.568SS.*Hα-helixtrans-64.4-38.8177.7-62.90000112.6F94 D95 S102F94-S98 WeakPolarHBondContact O-CB 3.35Å; F94-S98 PolarHBondContact O-N 3.47Å; F94-S98 PolarHBondContact O-OG 3.26Å; D95-S98 PolarHBondContact O-N 3.03Å; S98-S102 PolarHBondContact O-OG 2.75Å
99H48Very low49.8Very low148 Ų148103 Ų10369%0.68557%0.573SS**Hα-helixtrans-83.6-24.3179.8-75.6-51.7000115.1D95 S97 S102D95-H99 WeakPolarHBondContact O-CB 3.34Å; D95-H99 PolarHBondContact O-CD2 3.46Å; D95-H99 PolarHBondContact O-N 2.99Å; S97-H99 PolarHBondContact O-N 3.49Å; H99-S102 PolarHBondContact O-OG 2.76Å; H99-S102 VanDerWaalsContact O-OG 3.1Å
100N43.6Very low49.9Very low106 Ų106101.4 Ų101.457%0.56757%0.57SS**Hα-helixtrans-98.7-23.6176.7-65.1-39.9000113.6S96 S102 T103 S104S96-N100 WeakPolarHBondContact O-CB 3.28Å; S96-N100 VanDerWaalsContact O-CG 3.29Å; S96-N100 PolarHBondContact O-N 3.01Å; S96-N100 PolarHBondContact O-ND2 3.22Å; S96-N100 VanDerWaalsContact O-ND2 3.1Å; N100-S102 VanDerWaalsContact C-N 3.32Å; N100-T103 PolarHBondContact O-OG1 3.11Å; N100-S104 PolarHBondContact O-OG 2.99Å
101N38.1Very low51.1Low67 Ų67101.4 Ų101.436%0.35858%0.575SS.*Hα-helixtrans-80.1-14.1174-69.4-34.6000113S97 T103 S104 S105S97-N101 WeakPolarHBondContact O-CB 3.34Å; S97-N101 VanDerWaalsContact O-CG 3.26Å; S97-N101 PolarHBondContact O-N 3.42Å; S97-N101 PolarHBondContact O-ND2 2.94Å; S97-N101 VanDerWaalsContact O-ND2 3.17Å; S97-N101 PolarHBondContact OG-ND2 3.48Å; N101-T103 PolarHBondContact O-N 2.86Å; N101-T103 VanDerWaalsContact O-N 3.12Å; N101-S104 PolarHBondContact O-N 3.33Å; N101-S105 WeakPolarHBondContact O-CB 3.49Å; N101-S105 PolarHBondContact O-N 2.88Å; N101-S105 PolarHBondContact O-OG 3.41Å
102S39.2Very low52.2Low84 Ų84102.7 Ų102.759%0.58758%0.578SS**THydrogen-bonded Turntrans-65.6-9.4176.217.60000114S98 H99 N100S98-S102 PolarHBondContact O-OG 2.75Å; H99-S102 PolarHBondContact O-OG 2.76Å; H99-S102 VanDerWaalsContact O-OG 3.1Å; N100-S102 VanDerWaalsContact C-N 3.32Å
103T39.5Very low53.2Low133 Ų133103.2 Ų103.282%0.81657%0.573SS**THydrogen-bonded Turntrans-117.1-3.6173.2540000114.6N100 N101N100-T103 PolarHBondContact O-OG1 3.11Å; N101-T103 PolarHBondContact O-N 2.86Å; N101-T103 VanDerWaalsContact O-N 3.12Å
104S36.7Very low54.3Low88 Ų88103.7 Ų103.762%0.61557%0.57SS**THydrogen-bonded Turntrans-137.6-21.6-172.562.50000116.1N100 N101N100-S104 PolarHBondContact O-OG 2.99Å; N101-S104 PolarHBondContact O-N 3.33Å
105S36.3Very low56Low66 Ų66100.4 Ų100.446%0.46256%0.557SS.*SBendtrans-80.6132.5165.270.10000109.2N101 P107N101-S105 WeakPolarHBondContact O-CB 3.49Å; N101-S105 PolarHBondContact O-N 2.88Å; N101-S105 PolarHBondContact O-OG 3.41Å; S105-P107 WeakPolarHBondContact O-CD 3.36Å
106K37.5Very low57.6Low199 Ų19996 Ų9687%0.86553%0.534SS*.PPolyproline II helixtrans-60.6120170.4-70.7173.9-179.8171.30107S108K106-S108 PolarHBondContact O-N 2.93Å
107P45.4Very low59.1Low104 Ų10494.9 Ų94.968%0.67553%0.526SS*.PPolyproline II helixtrans-56.5134.7169.124.6-32.4000107.3S105 K109S105-P107 WeakPolarHBondContact O-CD 3.36Å; P107-K109 PolarHBondContact O-N 3.18Å
108S51.6Low61Low107 Ų10797.7 Ų97.775%0.74853%0.533SS*.PPolyproline II helixtrans-46.4120.8164.445.70000106.8K106 L110K106-S108 PolarHBondContact O-N 2.93Å; S108-L110 PolarHBondContact O-N 3.38Å
109K55.3Low63.2Low210 Ų21094.1 Ų94.191%0.91351%0.509SS*.  trans-48.9107.6-171.3-74-178.7177.4179.40108.4P107 N111P107-K109 PolarHBondContact O-N 3.18Å; K109-N111 PolarHBondContact O-N 2.97Å
110L64.1Low65.4Low106 Ų10687.1 Ų87.156%0.55548%0.476SS*.  trans-52.5133.3179.3-73.7169.1000107.6S108 E114 I115S108-L110 PolarHBondContact O-N 3.38Å; L110-E114 WeakPolarHBondContact CA-OE2 3.49Å; L110-E114 HydrophobicContact CB-CB 4.48Å; L110-E114 HydrophobicContact CD2-CB 4.43Å; L110-I115 HydrophobicContact CB-CD1 4.15Å; L110-I115 HydrophobicContact CB-CG1 3.64Å; L110-I115 WeakPolarHBondContact O-CD1 3.27Å
111N82.5Confident67.6Low101 Ų10184 Ų8454%0.5446%0.462SS..  trans-61146.5179.5-168.7-0.7000108.7K109 Q113 E114 I115K109-N111 PolarHBondContact O-N 2.97Å; N111-Q113 PolarHBondContact O-N 3.15Å; N111-E114 HydrophobicContact CB-CB 4.47Å; N111-E114 HydrophobicContact CB-CG 4.02Å; N111-E114 PolarHBondContact N-OE2 3.39Å; N111-E114 WeakPolarHBondContact O-CA 3.43Å; N111-E114 WeakPolarHBondContact O-CB 3.45Å; N111-E114 PolarHBondContact O-N 3.2Å; N111-I115 WeakPolarHBondContact O-CG1 3.32Å; N111-I115 PolarHBondContact O-N 3.49Å
112D86.6Confident70Confident91 Ų9184.3 Ų84.349%0.48746%0.462SS..Hα-helixtrans-56.8-26.3-179.7-177.844.2000111.9F116 R214D112-F116 WeakPolarHBondContact O-CB 3.42Å; D112-F116 PolarHBondContact O-N 2.86Å; D112-R214 PolarHBondContact O-NH2 3.4Å; D112-R214 IonicContact OD1-NH2 3.27Å; D112-R214 PolarHBondContact OD1-NH2 3.42Å; D112-R214 IonicContact OD2-CZ 3.73Å; D112-R214 IonicContact OD2-NE 2.72Å; D112-R214 IonicContact OD2-NH2 2.72Å; D112-R214 PolarHBondContact OD2-NH2 3.41Å
113Q85.6Confident72.5Confident76 Ų7680.3 Ų80.336%0.35543%0.434SS..Hα-helixtrans-72.9-35.8171.6-169.664.8-2.100114.1N111 F116 S117 Y331N111-Q113 PolarHBondContact O-N 3.15Å; Q113-F116 PolarHBondContact O-N 2.91Å; Q113-S117 WeakPolarHBondContact O-CB 3.39Å; Q113-S117 PolarHBondContact O-N 3.49Å; Q113-S117 PolarHBondContact O-OG 2.93Å; Q113-Y331 PolarHBondContact NE2-OH 3.08Å
114E87.1Confident74.9Confident96 Ų9674.3 Ų74.345%0.44940%0.397SS..Hα-helixtrans-73.4-38176.4-64.5167162.300111.1L110 N111 F116 S117 H118L110-E114 WeakPolarHBondContact CA-OE2 3.49Å; L110-E114 HydrophobicContact CB-CB 4.48Å; L110-E114 HydrophobicContact CD2-CB 4.43Å; N111-E114 HydrophobicContact CB-CB 4.47Å; N111-E114 HydrophobicContact CB-CG 4.02Å; N111-E114 PolarHBondContact N-OE2 3.39Å; N111-E114 WeakPolarHBondContact O-CA 3.43Å; N111-E114 WeakPolarHBondContact O-CB 3.45Å; N111-E114 PolarHBondContact O-N 3.2Å; E114-F116 VanDerWaalsContact C-N 3.27Å; E114-F116 PolarHBondContact O-N 2.86Å; E114-S117 WeakPolarHBondContact CA-OG 3.37Å; E114-S117 PolarHBondContact O-N 2.86Å; E114-S117 PolarHBondContact O-OG 3.26Å; E114-S117 VanDerWaalsContact O-OG 3.11Å; E114-H118 WeakPolarHBondContact O-CB 3.46Å; E114-H118 PolarHBondContact O-N 3.16Å; E114-H118 VanDerWaalsContact O-N 3.09Å
115I89.3Confident77.3Confident55 Ų5576.6 Ų76.628%0.28240%0.397SS..Hα-helixtrans-61.4-40.6173.9-62.4175.2000110.1L110 N111 A119 M218 K221L110-I115 HydrophobicContact CB-CD1 4.15Å; L110-I115 HydrophobicContact CB-CG1 3.64Å; L110-I115 WeakPolarHBondContact O-CD1 3.27Å; N111-I115 WeakPolarHBondContact O-CG1 3.32Å; N111-I115 PolarHBondContact O-N 3.49Å; I115-A119 WeakPolarHBondContact O-CB 3.31Å; I115-A119 PolarHBondContact O-N 3Å; I115-A119 VanDerWaalsContact O-N 3.14Å; I115-M218 HydrophobicContact CG2-CE 3.87Å; I115-M218 HydrophobicContact CG2-SD 4.48Å; I115-K221 PolarHBondContact O-NZ 3Å
116F91.9Very high79.8Confident5 Ų574.2 Ų74.22%0.02238%0.381CS..Hα-helixtrans-72.4-45.3176.8173.7-104.3000113.2D112 Q113 E114 H118 A119 F120 R214 V217 M218 Y331 H367D112-F116 WeakPolarHBondContact O-CB 3.42Å; D112-F116 PolarHBondContact O-N 2.86Å; Q113-F116 PolarHBondContact O-N 2.91Å; E114-F116 VanDerWaalsContact C-N 3.27Å; E114-F116 PolarHBondContact O-N 2.86Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 3.25Å; F116-A119 WeakPolarHBondContact O-CB 3.38Å; F116-A119 PolarHBondContact O-N 2.72Å; F116-A119 VanDerWaalsContact O-N 3.1Å; F116-F120 WeakPolarHBondContact O-CB 3.42Å; F116-F120 PolarHBondContact O-N 3.2Å; F116-R214 HydrophobicContact CD2-CG 4.03Å; F116-R214 HydrophobicContact CE2-CB 4.34Å; F116-R214 HydrophobicContact CE2-CG 4.09Å; F116-V217 HydrophobicContact CD2-CB 4.32Å; F116-V217 HydrophobicContact CD2-CG1 3.94Å; F116-V217 HydrophobicContact CE2-CB 3.78Å; F116-V217 HydrophobicContact CE2-CG1 3.75Å; F116-V217 HydrophobicContact CE2-CG2 3.95Å; F116-V217 HydrophobicContact CZ-CG2 4.48Å; F116-M218 HydrophobicContact CD2-CG 4.43Å; F116-M218 HydrophobicContact CD2-SD 4.49Å; F116-Y331 HydrophobicContact CD1-CE2 4.4Å; F116-Y331 HydrophobicContact CE1-CE2 4.18Å; F116-H367 AromaticContact CE1-ND1 3.92Å
117S90.4Very high82Confident29 Ų2967.9 Ų67.920%0.20336%0.36CS..Hα-helixtrans-61.6-40.2179.162.40000111.8Q113 E114 F120 S121Q113-S117 WeakPolarHBondContact O-CB 3.39Å; Q113-S117 PolarHBondContact O-N 3.49Å; Q113-S117 PolarHBondContact O-OG 2.93Å; E114-S117 WeakPolarHBondContact CA-OG 3.37Å; E114-S117 PolarHBondContact O-N 2.86Å; E114-S117 PolarHBondContact O-OG 3.26Å; E114-S117 VanDerWaalsContact O-OG 3.11Å; S117-F120 PolarHBondContact O-N 2.74Å; S117-S121 WeakPolarHBondContact O-CB 3.43Å; S117-S121 PolarHBondContact O-N 2.74Å
118H88.6Confident83.8Confident105 Ų10563.1 Ų63.149%0.48633%0.329SS..Hα-helixtrans-65.6-40.1172.7-170.9-68.5000112.4E114 F116 F120 Q122E114-H118 WeakPolarHBondContact O-CB 3.46Å; E114-H118 PolarHBondContact O-N 3.16Å; E114-H118 VanDerWaalsContact O-N 3.09Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 3.25Å; H118-F120 VanDerWaalsContact C-N 3.33Å; H118-Q122 PolarHBondContact CE1-NE2 3.05Å; H118-Q122 PolarHBondContact CE1-OE1 3Å; H118-Q122 VanDerWaalsContact CE1-OE1 3.29Å; H118-Q122 VanDerWaalsContact ND1-CD 3.31Å; H118-Q122 PolarHBondContact ND1-OE1 3.29Å; H118-Q122 WeakPolarHBondContact O-CG 3.25Å; H118-Q122 PolarHBondContact O-N 2.98Å; H118-Q122 PolarHBondContact O-OE1 2.96Å
119A90.9Very high85.5Confident1 Ų158.5 Ų58.51%0.00830%0.297CS..Hα-helixtrans-61.9-43.3175.600000111.7I115 F116 M123 V217 M218 K221I115-A119 WeakPolarHBondContact O-CB 3.31Å; I115-A119 PolarHBondContact O-N 3Å; I115-A119 VanDerWaalsContact O-N 3.14Å; F116-A119 WeakPolarHBondContact O-CB 3.38Å; F116-A119 PolarHBondContact O-N 2.72Å; F116-A119 VanDerWaalsContact O-N 3.1Å; A119-M123 WeakPolarHBondContact O-CB 3.36Å; A119-M123 PolarHBondContact O-N 3.38Å; A119-V217 HydrophobicContact CB-CG1 3.6Å; A119-M218 HydrophobicContact CB-SD 4.02Å; A119-K221 HydrophobicContact CB-CB 4.01Å; A119-K221 HydrophobicContact CB-CD 3.38Å; A119-K221 HydrophobicContact CB-CG 4.35Å
120F92.6Very high86.9Confident0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-64.9-48.2177.7178.7-93.5000111.9F116 S117 H118 Q122 M123 I124 F132 V217 A327 V330 Y331 H367F116-F120 WeakPolarHBondContact O-CB 3.42Å; F116-F120 PolarHBondContact O-N 3.2Å; S117-F120 PolarHBondContact O-N 2.74Å; H118-F120 VanDerWaalsContact C-N 3.33Å; F120-Q122 VanDerWaalsContact C-N 3.33Å; F120-Q122 PolarHBondContact O-N 3.04Å; F120-M123 HydrophobicContact CD2-CE 3.85Å; F120-M123 HydrophobicContact CE2-CE 3.98Å; F120-M123 WeakPolarHBondContact O-CB 3.11Å; F120-M123 PolarHBondContact O-N 2.81Å; F120-I124 HydrophobicContact CE1-CB 4.37Å; F120-I124 HydrophobicContact CE1-CG2 4.29Å; F120-I124 HydrophobicContact CZ-CB 4.47Å; F120-I124 PolarHBondContact O-N 3.38Å; F120-F132 HydrophobicContact CD2-CE2 4.37Å; F120-F132 HydrophobicContact CE2-CD2 4.3Å; F120-F132 HydrophobicContact CE2-CE1 4.02Å; F120-F132 AromaticContact CE2-CE2 3.59Å; F120-F132 HydrophobicContact CE2-CE2 3.59Å; F120-F132 AromaticContact CE2-CZ 3.48Å; F120-F132 HydrophobicContact CE2-CZ 3.48Å; F120-F132 VanDerWaalsContact CE2-CZ 3.48Å; F120-F132 HydrophobicContact CZ-CE1 4.23Å; F120-F132 HydrophobicContact CZ-CZ 4Å; F120-V217 HydrophobicContact CB-CG1 4.12Å; F120-V217 HydrophobicContact CD2-CG2 4.18Å; F120-A327 WeakPolarHBondContact CE1-O 3.33Å; F120-A327 HydrophobicContact CZ-CB 4.37Å; F120-V330 HydrophobicContact CE1-CB 4.2Å; F120-V330 HydrophobicContact CE1-CG1 4.32Å; F120-Y331 HydrophobicContact CB-CD2 4.29Å; F120-Y331 HydrophobicContact CB-CE2 4.22Å; F120-Y331 AromaticContact CD1-CD2 3.66Å; F120-Y331 HydrophobicContact CD1-CD2 3.66Å; F120-Y331 HydrophobicContact CD1-CE2 4.01Å; F120-Y331 HydrophobicContact CE1-CD2 4.38Å; F120-Y331 HydrophobicContact CG-CD2 4.23Å; F120-Y331 HydrophobicContact CG-CE2 4.19Å; F120-H367 AromaticContact CD2-CE1 3.57Å; F120-H367 AromaticContact CE1-CE1 3.97Å; F120-H367 AromaticContact CE2-CE1 3.42Å; F120-H367 VanDerWaalsContact CE2-CE1 3.42Å; F120-H367 WeakPolarHBondContact CE2-CE1 3.5Å; F120-H367 AromaticContact CE2-NE2 3.64Å; F120-H367 AromaticContact CG-CE1 3.9Å; F120-H367 AromaticContact CZ-CE1 3.61Å; F120-H367 AromaticContact CZ-NE2 3.75Å
121S90.8Very high87.8Confident40 Ų4051 Ų5128%0.2826%0.263SS..Hα-helixtrans-58.2-44.3177.2175.40000111.6S117 M123 I124 H125S117-S121 WeakPolarHBondContact O-CB 3.43Å; S117-S121 PolarHBondContact O-N 2.74Å; S121-M123 VanDerWaalsContact C-N 3.32Å; S121-M123 PolarHBondContact O-N 2.84Å; S121-I124 WeakPolarHBondContact O-CG2 3.47Å; S121-I124 PolarHBondContact O-N 2.93Å; S121-H125 PolarHBondContact O-CD2 2.8Å; S121-H125 PolarHBondContact O-N 2.8Å
122Q88.7Confident88Confident75 Ų7546.1 Ų46.135%0.3524%0.238SC..Hα-helixtrans-61.8-38.7174.1-72179.1-62.200112.8H118 F120H118-Q122 PolarHBondContact CE1-NE2 3.05Å; H118-Q122 PolarHBondContact CE1-OE1 3Å; H118-Q122 VanDerWaalsContact CE1-OE1 3.29Å; H118-Q122 VanDerWaalsContact ND1-CD 3.31Å; H118-Q122 PolarHBondContact ND1-OE1 3.29Å; H118-Q122 WeakPolarHBondContact O-CG 3.25Å; H118-Q122 PolarHBondContact O-N 2.98Å; H118-Q122 PolarHBondContact O-OE1 2.96Å; F120-Q122 VanDerWaalsContact C-N 3.33Å; F120-Q122 PolarHBondContact O-N 3.04Å
123M90.3Very high88Confident0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-71.2-43.1178.9-176.1-162.571.900112.8A119 F120 S121 H125 S126 A128 F132 F216 V217 Y220A119-M123 WeakPolarHBondContact O-CB 3.36Å; A119-M123 PolarHBondContact O-N 3.38Å; F120-M123 HydrophobicContact CD2-CE 3.85Å; F120-M123 HydrophobicContact CE2-CE 3.98Å; F120-M123 WeakPolarHBondContact O-CB 3.11Å; F120-M123 PolarHBondContact O-N 2.81Å; S121-M123 VanDerWaalsContact C-N 3.32Å; S121-M123 PolarHBondContact O-N 2.84Å; M123-H125 VanDerWaalsContact C-N 3.29Å; M123-H125 PolarHBondContact O-N 3.02Å; M123-S126 VanDerWaalsContact O-CB 3.31Å; M123-S126 WeakPolarHBondContact O-CB 3.31Å; M123-S126 PolarHBondContact O-N 3.47Å; M123-S126 PolarHBondContact O-OG 2.94Å; M123-A128 HydrophobicContact CG-CB 4.32Å; M123-F132 HydrophobicContact CE-CB 3.74Å; M123-F132 HydrophobicContact CE-CD1 4.37Å; M123-F132 HydrophobicContact CE-CD2 3.35Å; M123-F132 HydrophobicContact CE-CE2 4.05Å; M123-F132 HydrophobicContact CE-CG 3.54Å; M123-F132 HydrophobicContact SD-CB 4.46Å; M123-F132 HydrophobicContact SD-CD2 4.48Å; M123-F216 HydrophobicContact SD-CD1 3.8Å; M123-F216 HydrophobicContact SD-CE1 3.58Å; M123-F216 VanDerWaalsContact SD-CE1 3.58Å; M123-V217 HydrophobicContact CE-CG2 3.8Å; M123-V217 HydrophobicContact SD-CB 4.34Å; M123-V217 HydrophobicContact SD-CG2 3.72Å; M123-Y220 HydrophobicContact CB-CD1 3.64Å; M123-Y220 HydrophobicContact CB-CE1 3.84Å; M123-Y220 HydrophobicContact CG-CD1 3.67Å; M123-Y220 HydrophobicContact CG-CE1 3.95Å; M123-Y220 HydrophobicContact CG-CG 4.2Å
124I90.3Very high87.9Confident7 Ų741.6 Ų41.64%0.03621%0.213CC..Hα-helixtrans-71.4-25.4-177.2-160.168.9000112.4F120 S121 S126 S129 F132 I133 A327 L328F120-I124 HydrophobicContact CE1-CB 4.37Å; F120-I124 HydrophobicContact CE1-CG2 4.29Å; F120-I124 HydrophobicContact CZ-CB 4.47Å; F120-I124 PolarHBondContact O-N 3.38Å; S121-I124 WeakPolarHBondContact O-CG2 3.47Å; S121-I124 PolarHBondContact O-N 2.93Å; I124-S126 VanDerWaalsContact C-N 3.26Å; I124-S126 PolarHBondContact O-N 3.48Å; I124-S129 WeakPolarHBondContact O-CB 3.46Å; I124-F132 HydrophobicContact CD1-CD1 3.83Å; I124-F132 HydrophobicContact CD1-CE1 4.24Å; I124-I133 HydrophobicContact CD1-CD1 4.49Å; I124-A327 HydrophobicContact CD1-CB 3.64Å; I124-A327 HydrophobicContact CG1-CB 4.04Å; I124-L328 HydrophobicContact CG1-CD2 4.08Å; I124-L328 HydrophobicContact CG1-CG 4.23Å; I124-L328 HydrophobicContact CG2-CD2 4.12Å
125H87.7Confident87.9Confident135 Ų13537.5 Ų37.563%0.62520%0.195SC*.THydrogen-bonded Turntrans-82.42.9169.3-64.4-49.3000114.1S121 M123 L328S121-H125 PolarHBondContact O-CD2 2.8Å; S121-H125 PolarHBondContact O-N 2.8Å; M123-H125 VanDerWaalsContact C-N 3.29Å; M123-H125 PolarHBondContact O-N 3.02Å; H125-L328 WeakPolarHBondContact ND1-CD2 3.39Å
126S88Confident87.8Confident16 Ų1635.4 Ų35.411%0.11218%0.184CC..SBendtrans-104.7169.3179.785.70000112.7M123 I124 A128 S129 Y220M123-S126 VanDerWaalsContact O-CB 3.31Å; M123-S126 WeakPolarHBondContact O-CB 3.31Å; M123-S126 PolarHBondContact O-N 3.47Å; M123-S126 PolarHBondContact O-OG 2.94Å; I124-S126 VanDerWaalsContact C-N 3.26Å; I124-S126 PolarHBondContact O-N 3.48Å; S126-A128 PolarHBondContact O-N 3.19Å; S126-A128 VanDerWaalsContact O-N 3.13Å; S126-A128 WeakPolarHBondContact OG-CB 3.2Å; S126-A128 PolarHBondContact OG-N 3.46Å; S126-S129 VanDerWaalsContact O-CB 3.31Å; S126-S129 WeakPolarHBondContact O-CB 3.47Å; S126-S129 PolarHBondContact O-N 3.39Å; S126-S129 VanDerWaalsContact O-N 3.13Å; S126-S129 PolarHBondContact O-OG 3.29Å; S126-Y220 WeakPolarHBondContact CB-OH 3.3Å; S126-Y220 PolarHBondContact OG-OH 2.88Å
127P84.4Confident87.4Confident67 Ų6736.2 Ų36.244%0.43519%0.187SC..THydrogen-bonded Turntrans-59.4-17.1169.6-24.635.6000115.2S129P127-S129 PolarHBondContact O-N 2.84Å
128A83.8Confident87.2Confident4 Ų435.7 Ų35.73%0.03318%0.182CC..THydrogen-bonded Turntrans-76-6.3176.300000113.5M123 S126 Q130 D131 F132 Y220M123-A128 HydrophobicContact CG-CB 4.32Å; S126-A128 PolarHBondContact O-N 3.19Å; S126-A128 VanDerWaalsContact O-N 3.13Å; S126-A128 WeakPolarHBondContact OG-CB 3.2Å; S126-A128 PolarHBondContact OG-N 3.46Å; A128-Q130 VanDerWaalsContact C-N 3.27Å; A128-Q130 PolarHBondContact O-N 3.44Å; A128-D131 PolarHBondContact O-N 3.36Å; A128-F132 PolarHBondContact O-N 3.32Å; A128-F132 VanDerWaalsContact O-N 3.12Å; A128-Y220 HydrophobicContact CB-CD2 4.15Å; A128-Y220 HydrophobicContact CB-CE2 3.68Å
129S86.8Confident87.3Confident10 Ų1030.9 Ų30.97%0.0716%0.16CC..Hα-helixtrans-56.4-37.2173.652.50000113.2I124 S126 P127 F132 I133I124-S129 WeakPolarHBondContact O-CB 3.46Å; S126-S129 VanDerWaalsContact O-CB 3.31Å; S126-S129 WeakPolarHBondContact O-CB 3.47Å; S126-S129 PolarHBondContact O-N 3.39Å; S126-S129 VanDerWaalsContact O-N 3.13Å; S126-S129 PolarHBondContact O-OG 3.29Å; P127-S129 PolarHBondContact O-N 2.84Å; S129-F132 WeakPolarHBondContact O-CB 3.49Å; S129-F132 PolarHBondContact O-N 3.15Å; S129-I133 WeakPolarHBondContact O-CG1 3.31Å; S129-I133 PolarHBondContact O-N 2.93Å
130Q84.1Confident87.1Confident120 Ų12031 Ų3156%0.56116%0.16SC*.Hα-helixtrans-65.5-42.4178.4-67.7-174.8-23.100112.1A128 F132 I133 H134A128-Q130 VanDerWaalsContact C-N 3.27Å; A128-Q130 PolarHBondContact O-N 3.44Å; Q130-F132 VanDerWaalsContact C-N 3.31Å; Q130-F132 PolarHBondContact O-N 3Å; Q130-I133 PolarHBondContact O-N 3.47Å; Q130-H134 WeakPolarHBondContact O-CB 3.44Å; Q130-H134 PolarHBondContact O-N 2.87Å
131D83.4Confident86.7Confident37 Ų3733.8 Ų33.820%0.19818%0.175CC..Hα-helixtrans-63.5-39.6175.7-63.2-22.9000111.3A128 H134 L135 F216 T237A128-D131 PolarHBondContact O-N 3.36Å; D131-H134 PolarHBondContact O-N 2.9Å; D131-L135 WeakPolarHBondContact O-CB 3.42Å; D131-L135 PolarHBondContact O-N 3.19Å; D131-F216 HydrophobicContact CB-CZ 4.14Å; D131-T237 WeakPolarHBondContact OD2-CG2 3.42Å
132F87.5Confident86.6Confident0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-60.2-49.6175.5167.4-93.2000112.1F120 M123 I124 A128 S129 Q130 H134 L135 E136 L213 F216 A327F120-F132 HydrophobicContact CD2-CE2 4.37Å; F120-F132 HydrophobicContact CE2-CD2 4.3Å; F120-F132 HydrophobicContact CE2-CE1 4.02Å; F120-F132 AromaticContact CE2-CE2 3.59Å; F120-F132 HydrophobicContact CE2-CE2 3.59Å; F120-F132 AromaticContact CE2-CZ 3.48Å; F120-F132 HydrophobicContact CE2-CZ 3.48Å; F120-F132 VanDerWaalsContact CE2-CZ 3.48Å; F120-F132 HydrophobicContact CZ-CE1 4.23Å; F120-F132 HydrophobicContact CZ-CZ 4Å; M123-F132 HydrophobicContact CE-CB 3.74Å; M123-F132 HydrophobicContact CE-CD1 4.37Å; M123-F132 HydrophobicContact CE-CD2 3.35Å; M123-F132 HydrophobicContact CE-CE2 4.05Å; M123-F132 HydrophobicContact CE-CG 3.54Å; M123-F132 HydrophobicContact SD-CB 4.46Å; M123-F132 HydrophobicContact SD-CD2 4.48Å; I124-F132 HydrophobicContact CD1-CD1 3.83Å; I124-F132 HydrophobicContact CD1-CE1 4.24Å; A128-F132 PolarHBondContact O-N 3.32Å; A128-F132 VanDerWaalsContact O-N 3.12Å; S129-F132 WeakPolarHBondContact O-CB 3.49Å; S129-F132 PolarHBondContact O-N 3.15Å; Q130-F132 VanDerWaalsContact C-N 3.31Å; Q130-F132 PolarHBondContact O-N 3Å; F132-H134 VanDerWaalsContact C-N 3.33Å; F132-H134 PolarHBondContact O-N 2.93Å; F132-L135 WeakPolarHBondContact O-CB 3.45Å; F132-L135 PolarHBondContact O-N 2.86Å; F132-E136 PolarHBondContact O-N 3.18Å; F132-L213 HydrophobicContact CD2-CD1 4.08Å; F132-L213 HydrophobicContact CD2-CG 4.49Å; F132-L213 HydrophobicContact CE2-CD1 3.53Å; F132-L213 HydrophobicContact CE2-CD2 3.94Å; F132-L213 HydrophobicContact CE2-CG 3.9Å; F132-L213 HydrophobicContact CZ-CD1 4.36Å; F132-F216 HydrophobicContact CB-CE1 4.23Å; F132-A327 HydrophobicContact CE1-CB 4.02Å
133I86.1Confident86.7Confident0 Ų030.9 Ų30.90%016%0.157CC..Hα-helixtrans-68.6-34.9-178.9-57.4-67000111.3I124 S129 Q130 L135 E136 Q137 W319 L320 R323 M324 A327I124-I133 HydrophobicContact CD1-CD1 4.49Å; S129-I133 WeakPolarHBondContact O-CG1 3.31Å; S129-I133 PolarHBondContact O-N 2.93Å; Q130-I133 PolarHBondContact O-N 3.47Å; I133-L135 VanDerWaalsContact C-N 3.34Å; I133-E136 PolarHBondContact O-N 3.08Å; I133-Q137 WeakPolarHBondContact O-CB 3.33Å; I133-Q137 PolarHBondContact O-N 3.4Å; I133-W319 HydrophobicContact CG2-CH2 4.2Å; I133-W319 HydrophobicContact CG2-CZ3 3.85Å; I133-L320 HydrophobicContact CB-CD1 3.89Å; I133-L320 HydrophobicContact CG2-CD1 3.61Å; I133-R323 HydrophobicContact CD1-CB 4.17Å; I133-R323 HydrophobicContact CG2-CB 3.6Å; I133-R323 HydrophobicContact CG2-CG 4.33Å; I133-M324 HydrophobicContact CD1-CG 4.32Å; I133-M324 HydrophobicContact CG1-CG 3.71Å; I133-A327 HydrophobicContact CD1-CB 3.75Å
134H84.4Confident86.6Confident72 Ų7231.1 Ų31.133%0.33316%0.16SC..Hα-helixtrans-64.7-38.2172.6-176.9-136.1000111.9Q130 D131 F132 Q137 L138 L253Q130-H134 WeakPolarHBondContact O-CB 3.44Å; Q130-H134 PolarHBondContact O-N 2.87Å; D131-H134 PolarHBondContact O-N 2.9Å; F132-H134 VanDerWaalsContact C-N 3.33Å; F132-H134 PolarHBondContact O-N 2.93Å; H134-Q137 WeakPolarHBondContact O-CB 3.38Å; H134-Q137 PolarHBondContact O-N 3.47Å; H134-L138 WeakPolarHBondContact O-CG 3.43Å; H134-L138 PolarHBondContact O-N 3.38Å; H134-L138 VanDerWaalsContact O-N 3.08Å; H134-L253 VanDerWaalsContact CE1-CD2 3.4Å; H134-L253 WeakPolarHBondContact CE1-CD2 3.49Å
135L86.4Confident86.5Confident10 Ų1036.6 Ų36.65%0.05219%0.185CC..Hα-helixtrans-64.8-44.2173.1-179.755.6000112.1D131 F132 I133 Q137 L138 F139 F216 L249D131-L135 WeakPolarHBondContact O-CB 3.42Å; D131-L135 PolarHBondContact O-N 3.19Å; F132-L135 WeakPolarHBondContact O-CB 3.45Å; F132-L135 PolarHBondContact O-N 2.86Å; I133-L135 VanDerWaalsContact C-N 3.34Å; L135-Q137 VanDerWaalsContact C-N 3.28Å; L135-Q137 PolarHBondContact O-N 3.4Å; L135-L138 PolarHBondContact O-N 3.16Å; L135-F139 HydrophobicContact CD1-CD1 4.14Å; L135-F139 HydrophobicContact CD1-CD2 4.43Å; L135-F139 HydrophobicContact CD1-CE1 3.55Å; L135-F139 HydrophobicContact CD1-CE2 3.88Å; L135-F139 HydrophobicContact CD1-CZ 3.4Å; L135-F139 HydrophobicContact CD2-CE2 4.04Å; L135-F139 HydrophobicContact CD2-CZ 3.98Å; L135-F139 HydrophobicContact CG-CD2 4.18Å; L135-F139 HydrophobicContact CG-CE1 4.23Å; L135-F139 HydrophobicContact CG-CE2 3.6Å; L135-F139 HydrophobicContact CG-CZ 3.63Å; L135-F139 WeakPolarHBondContact O-CG 3.35Å; L135-F139 PolarHBondContact O-N 3.06Å; L135-F216 HydrophobicContact CD2-CG 4.5Å; L135-L249 HydrophobicContact CD1-CD2 3.31Å; L135-L249 HydrophobicContact CD2-CD2 4.04Å; L135-L249 HydrophobicContact CG-CD2 4.28Å
136E87Confident86.6Confident11 Ų1133.6 Ų33.65%0.05117%0.17CC..Hα-helixtrans-59.1-38.4173.4-176.6179.1-152.200111.9F132 I133 F139 A140 R323 L366F132-E136 PolarHBondContact O-N 3.18Å; I133-E136 PolarHBondContact O-N 3.08Å; E136-F139 PolarHBondContact O-N 3.23Å; E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.09Å; E136-R323 VanDerWaalsContact CD-NH1 3.26Å; E136-R323 IonicContact OE1-CZ 3.66Å; E136-R323 IonicContact OE1-NH1 2.9Å; E136-R323 PolarHBondContact OE1-NH1 3.38Å; E136-R323 WeakPolarHBondContact OE2-CD 3.26Å; E136-R323 IonicContact OE2-NH1 2.74Å; E136-L366 HydrophobicContact CB-CD1 4.44Å; E136-L366 HydrophobicContact CG-CD1 3.95Å
137Q83.9Confident86.8Confident21 Ų2132.9 Ų32.910%0.09817%0.165CC..Hα-helixtrans-60-48.7173.7-163.5174.11200111.9I133 H134 L135 F139 A140 L141 W319I133-Q137 WeakPolarHBondContact O-CB 3.33Å; I133-Q137 PolarHBondContact O-N 3.4Å; H134-Q137 WeakPolarHBondContact O-CB 3.38Å; H134-Q137 PolarHBondContact O-N 3.47Å; L135-Q137 VanDerWaalsContact C-N 3.28Å; L135-Q137 PolarHBondContact O-N 3.4Å; Q137-F139 PolarHBondContact O-N 3.46Å; Q137-A140 PolarHBondContact O-N 3.11Å; Q137-L141 HydrophobicContact CG-CD1 4.31Å; Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.16Å; Q137-W319 HydrophobicContact CB-CH2 3.34Å; Q137-W319 HydrophobicContact CB-CZ2 4.25Å; Q137-W319 HydrophobicContact CB-CZ3 3.71Å; Q137-W319 HydrophobicContact CG-CE3 4.43Å; Q137-W319 HydrophobicContact CG-CH2 3.41Å; Q137-W319 VanDerWaalsContact CG-CH2 3.41Å; Q137-W319 HydrophobicContact CG-CZ2 3.98Å; Q137-W319 HydrophobicContact CG-CZ3 3.65Å
138L85.6Confident87Confident19 Ų1933.7 Ų33.710%0.09916%0.163CC..Hα-helixtrans-62.7-42.6-179.9-67.4168.2000111.3H134 L135 A140 L141 E142 L253H134-L138 WeakPolarHBondContact O-CG 3.43Å; H134-L138 PolarHBondContact O-N 3.38Å; H134-L138 VanDerWaalsContact O-N 3.08Å; L135-L138 PolarHBondContact O-N 3.16Å; L138-A140 PolarHBondContact O-N 3.06Å; L138-L141 PolarHBondContact O-N 3.04Å; L138-E142 PolarHBondContact O-N 3.37Å; L138-L253 HydrophobicContact CD1-CD2 3.68Å; L138-L253 HydrophobicContact CD1-CG 4.28Å
139F90.2Very high87.5Confident4 Ų438.2 Ų38.22%0.01818%0.179CC..Hα-helixtrans-60.8-42.2174.8-68.8-20.9000112.6L135 E136 Q137 V143 H209 A212 L213 L252 L366L135-F139 HydrophobicContact CD1-CD1 4.14Å; L135-F139 HydrophobicContact CD1-CD2 4.43Å; L135-F139 HydrophobicContact CD1-CE1 3.55Å; L135-F139 HydrophobicContact CD1-CE2 3.88Å; L135-F139 HydrophobicContact CD1-CZ 3.4Å; L135-F139 HydrophobicContact CD2-CE2 4.04Å; L135-F139 HydrophobicContact CD2-CZ 3.98Å; L135-F139 HydrophobicContact CG-CD2 4.18Å; L135-F139 HydrophobicContact CG-CE1 4.23Å; L135-F139 HydrophobicContact CG-CE2 3.6Å; L135-F139 HydrophobicContact CG-CZ 3.63Å; L135-F139 WeakPolarHBondContact O-CG 3.35Å; L135-F139 PolarHBondContact O-N 3.06Å; E136-F139 PolarHBondContact O-N 3.23Å; Q137-F139 PolarHBondContact O-N 3.46Å; F139-V143 WeakPolarHBondContact O-CG2 3.39Å; F139-V143 PolarHBondContact O-N 3.27Å; F139-V143 VanDerWaalsContact O-N 3.11Å; F139-H209 HydrophobicContact CB-CB 4.34Å; F139-H209 WeakPolarHBondContact CB-ND1 3.11Å; F139-H209 HydrophobicContact CD1-CB 3.98Å; F139-H209 AromaticContact CD1-CD2 3.28Å; F139-H209 WeakPolarHBondContact CD1-CD2 3.4Å; F139-H209 AromaticContact CD1-CE1 3.78Å; F139-H209 AromaticContact CD1-CG 3.42Å; F139-H209 VanDerWaalsContact CD1-CG 3.42Å; F139-H209 AromaticContact CD1-ND1 3.75Å; F139-H209 AromaticContact CD1-NE2 3.51Å; F139-H209 HydrophobicContact CD2-CB 3.85Å; F139-H209 HydrophobicContact CE1-CB 4.16Å; F139-H209 AromaticContact CE1-CD2 3.55Å; F139-H209 AromaticContact CE1-CG 3.9Å; F139-H209 HydrophobicContact CE2-CB 4.04Å; F139-H209 WeakPolarHBondContact CE2-O 3.18Å; F139-H209 HydrophobicContact CG-CB 3.81Å; F139-H209 AromaticContact CG-CD2 3.93Å; F139-H209 AromaticContact CG-CG 3.55Å; F139-H209 AromaticContact CG-ND1 3.66Å; F139-H209 HydrophobicContact CZ-CB 4.19Å; F139-H209 PolarHBondContact O-CE1 2.9Å; F139-A212 HydrophobicContact CZ-CB 3.93Å; F139-L213 HydrophobicContact CD2-CD1 4.26Å; F139-L213 HydrophobicContact CE2-CB 4.24Å; F139-L213 HydrophobicContact CE2-CD1 3.83Å; F139-L252 HydrophobicContact CE1-CD1 4.27Å; F139-L366 HydrophobicContact CD2-CD2 4.35Å
140A86.3Confident87.8Confident2 Ų239.1 Ų39.12%0.01718%0.181CC..Hα-helixtrans-66.6-40.5176.500000112.5E136 Q137 L138 G144 F307E136-A140 WeakPolarHBondContact O-CB 3.42Å; E136-A140 PolarHBondContact O-N 3.09Å; Q137-A140 PolarHBondContact O-N 3.11Å; L138-A140 PolarHBondContact O-N 3.06Å; A140-G144 PolarHBondContact O-N 2.91Å; A140-F307 HydrophobicContact CB-CE1 4.15Å; A140-F307 HydrophobicContact CB-CE2 3.64Å; A140-F307 HydrophobicContact CB-CZ 3.36Å
141L85.6Confident88.1Confident59 Ų5936.6 Ų36.631%0.30917%0.171SC..Hα-helixtrans-63.7-42.1176.1-71.2171.5000112.2Q137 L138 G144 H145 L309Q137-L141 HydrophobicContact CG-CD1 4.31Å; Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.16Å; L138-L141 PolarHBondContact O-N 3.04Å; L141-G144 PolarHBondContact O-N 2.78Å; L141-H145 WeakPolarHBondContact O-CB 3.37Å; L141-H145 PolarHBondContact O-N 3.33Å; L141-L309 HydrophobicContact CD2-CD2 3.87Å
142E88.1Confident88.6Confident55 Ų5537.8 Ų37.826%0.25718%0.176SC..Hα-helixtrans-69.1-41179.7-166.8169.7-169.500112.2L138 H145 K146 L205 H209 L252L138-E142 PolarHBondContact O-N 3.37Å; E142-H145 PolarHBondContact O-N 3Å; E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 3.36Å; E142-L205 HydrophobicContact CB-CD2 4.49Å; E142-L205 HydrophobicContact CG-CD1 4.43Å; E142-L205 HydrophobicContact CG-CD2 3.93Å; E142-H209 IonicContact OE2-NE2 3.71Å; E142-L252 WeakPolarHBondContact OE2-CD2 3.37Å
143V90.7Very high89Confident0 Ų039.3 Ų39.30%019%0.185CC..Hα-helixtrans-62.9-45.5172.1170.30000111F139 H145 K146 L147 L205 K206 E361 Q362F139-V143 WeakPolarHBondContact O-CG2 3.39Å; F139-V143 PolarHBondContact O-N 3.27Å; F139-V143 VanDerWaalsContact O-N 3.11Å; V143-H145 PolarHBondContact O-N 3.37Å; V143-K146 PolarHBondContact O-N 3.02Å; V143-L147 HydrophobicContact CG1-CD1 3.7Å; V143-L147 HydrophobicContact CG1-CG 4.35Å; V143-L147 WeakPolarHBondContact O-CG 3.43Å; V143-L147 PolarHBondContact O-N 2.87Å; V143-L205 HydrophobicContact CG2-CD2 4.05Å; V143-K206 HydrophobicContact CG2-CG 3.98Å; V143-E361 WeakPolarHBondContact CG1-O 3.28Å; V143-Q362 WeakPolarHBondContact CG1-O 3.3Å
144G87.7Confident89.3Confident5 Ų540.1 Ų40.15%0.05219%0.189CC..Hα-helixtrans-57.8-44.5176.900000112.7A140 L141 L147 Q148A140-G144 PolarHBondContact O-N 2.91Å; L141-G144 PolarHBondContact O-N 2.78Å; G144-L147 PolarHBondContact O-N 3.42Å; G144-Q148 WeakPolarHBondContact O-CB 3.35Å; G144-Q148 PolarHBondContact O-N 3.33Å
145H88.2Confident89.8Confident121 Ų12144 Ų4456%0.5621%0.205SC*.Hα-helixtrans-64.8-40.6175.7178.5-93000112.5L141 E142 V143 Q148 R149L141-H145 WeakPolarHBondContact O-CB 3.37Å; L141-H145 PolarHBondContact O-N 3.33Å; E142-H145 PolarHBondContact O-N 3Å; V143-H145 PolarHBondContact O-N 3.37Å; H145-Q148 PolarHBondContact O-N 2.59Å; H145-R149 PolarHBondContact O-N 2.86Å
146K91Very high90.2Very high73 Ų7347.6 Ų47.632%0.31722%0.222SC..Hα-helixtrans-62.4-43.9173.7-73.5-74.4-171.8173.10112.1E142 V143 R149 R150 W198 I202 L205E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 3.36Å; V143-K146 PolarHBondContact O-N 3.02Å; K146-R149 PolarHBondContact O-N 3.26Å; K146-R150 PolarHBondContact O-N 3.43Å; K146-W198 HydrophobicContact CD-CZ3 4.26Å; K146-I202 HydrophobicContact CB-CG1 4.02Å; K146-L205 HydrophobicContact CG-CD2 3.84Å
147L91.5Very high90.5Very high1 Ų148.2 Ų48.21%0.00523%0.225CC..Hα-helixtrans-65.3-41.7176.9-74.4165000112.2V143 G144 R149 R150 N151 I202 E361V143-L147 HydrophobicContact CG1-CD1 3.7Å; V143-L147 HydrophobicContact CG1-CG 4.35Å; V143-L147 WeakPolarHBondContact O-CG 3.43Å; V143-L147 PolarHBondContact O-N 2.87Å; G144-L147 PolarHBondContact O-N 3.42Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.24Å; L147-R150 PolarHBondContact O-N 2.86Å; L147-N151 WeakPolarHBondContact O-CB 3.21Å; L147-N151 PolarHBondContact O-N 3.26Å; L147-N151 PolarHBondContact O-ND2 3.5Å; L147-N151 PolarHBondContact O-OD1 3.21Å; L147-I202 HydrophobicContact CD2-CD1 3.79Å; L147-I202 HydrophobicContact CG-CD1 4.28Å; L147-E361 HydrophobicContact CD1-CB 4.27Å; L147-E361 VanDerWaalsContact CD1-O 3.27Å; L147-E361 WeakPolarHBondContact CD1-O 3.37Å; L147-E361 HydrophobicContact CD2-CB 4.44Å
148Q89.8Confident90.9Very high84 Ų8449.6 Ų49.639%0.39323%0.233SC..Hα-helixtrans-57.8-49172.8177.8176-2000110.3G144 H145 R150 N151 E152G144-Q148 WeakPolarHBondContact O-CB 3.35Å; G144-Q148 PolarHBondContact O-N 3.33Å; H145-Q148 PolarHBondContact O-N 2.59Å; Q148-R150 PolarHBondContact O-N 3.08Å; Q148-N151 PolarHBondContact O-N 2.84Å; Q148-N151 VanDerWaalsContact O-N 3.13Å; Q148-E152 HydrophobicContact CG-CG 4.37Å; Q148-E152 VanDerWaalsContact CG-OE1 3.28Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.49Å; Q148-E152 PolarHBondContact NE2-OE1 3.16Å; Q148-E152 WeakPolarHBondContact O-CG 3.2Å; Q148-E152 PolarHBondContact O-N 3.27Å
149R92.4Very high91.3Very high99 Ų9953.6 Ų53.637%0.37425%0.251SS..Hα-helixtrans-66.4-35.6-179.8-163.669.4-165.2129.68.9113.1H145 K146 L147 E152 T153 E156 W198H145-R149 PolarHBondContact O-N 2.86Å; K146-R149 PolarHBondContact O-N 3.26Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.24Å; R149-E152 WeakPolarHBondContact CD-OE2 3.36Å; R149-E152 IonicContact CZ-OE2 3.07Å; R149-E152 IonicContact NE-OE2 2.71Å; R149-E152 IonicContact NH1-OE2 3.89Å; R149-E152 PolarHBondContact NH1-OE2 3.07Å; R149-T153 WeakPolarHBondContact O-CB 3.37Å; R149-T153 PolarHBondContact O-N 3.49Å; R149-T153 PolarHBondContact O-OG1 2.82Å; R149-E156 IonicContact NH1-OE1 3.74Å; R149-E156 PolarHBondContact NH1-OE1 3.22Å; R149-E156 IonicContact NH2-OE1 3.44Å; R149-W198 HydrophobicContact CB-CH2 3.94Å; R149-W198 HydrophobicContact CB-CZ3 4.41Å; R149-W198 HydrophobicContact CG-CH2 3.65Å; R149-W198 HydrophobicContact CG-CZ2 4.06Å
150R93.6Very high91.5Very high28 Ų2859 Ų5911%0.10627%0.274CS..Hα-helixtrans-56.2-53.6167.8179-175.777.8-178.4-1.4110.1K146 L147 Q148 E152 T153 L154 W198 D199 I202 E361K146-R150 PolarHBondContact O-N 3.43Å; L147-R150 PolarHBondContact O-N 2.86Å; Q148-R150 PolarHBondContact O-N 3.08Å; R150-E152 PolarHBondContact O-N 3.36Å; R150-T153 PolarHBondContact O-N 3.07Å; R150-L154 HydrophobicContact CG-CD1 3.96Å; R150-L154 HydrophobicContact CG-CG 4.49Å; R150-L154 WeakPolarHBondContact O-CG 3.14Å; R150-L154 PolarHBondContact O-N 3.12Å; R150-W198 HydrophobicContact CB-CB 4.05Å; R150-W198 HydrophobicContact CB-CD2 3.86Å; R150-W198 HydrophobicContact CB-CE3 4.16Å; R150-W198 HydrophobicContact CB-CG 3.8Å; R150-W198 HydrophobicContact CG-CB 3.59Å; R150-W198 HydrophobicContact CG-CD2 4.27Å; R150-W198 HydrophobicContact CG-CG 3.66Å; R150-D199 IonicContact CZ-OD1 3.66Å; R150-D199 IonicContact NH1-OD1 3.42Å; R150-D199 PolarHBondContact NH1-OD1 3.46Å; R150-I202 HydrophobicContact CB-CD1 4.4Å; R150-E361 IonicContact CZ-OE2 3.98Å; R150-E361 IonicContact NH1-OE2 3.17Å; R150-E361 PolarHBondContact NH1-OE2 3.4Å; R150-E361 IonicContact NH2-OE2 3.54Å; R150-E361 PolarHBondContact NH2-OE2 2.75Å
151N91.3Very high91.8Very high67 Ų6760.3 Ų60.336%0.35828%0.28SS..Hα-helixtrans-66.7-34-175.5-65.4-16.2000112.9L147 Q148 K155L147-N151 WeakPolarHBondContact O-CB 3.21Å; L147-N151 PolarHBondContact O-N 3.26Å; L147-N151 PolarHBondContact O-ND2 3.5Å; L147-N151 PolarHBondContact O-OD1 3.21Å; Q148-N151 PolarHBondContact O-N 2.84Å; Q148-N151 VanDerWaalsContact O-N 3.13Å; N151-K155 WeakPolarHBondContact O-CB 3.35Å; N151-K155 VanDerWaalsContact O-CG 3.26Å; N151-K155 WeakPolarHBondContact O-CG 3.43Å; N151-K155 PolarHBondContact O-N 3.26Å
152E94.1Very high92.1Very high63 Ų6362 Ų6229%0.29429%0.289SS..Hα-helixtrans-64.6-50170-73.8169.4-174.600111.3Q148 R149 R150 L154 K155 E156Q148-E152 HydrophobicContact CG-CG 4.37Å; Q148-E152 VanDerWaalsContact CG-OE1 3.28Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.49Å; Q148-E152 PolarHBondContact NE2-OE1 3.16Å; Q148-E152 WeakPolarHBondContact O-CG 3.2Å; Q148-E152 PolarHBondContact O-N 3.27Å; R149-E152 WeakPolarHBondContact CD-OE2 3.36Å; R149-E152 IonicContact CZ-OE2 3.07Å; R149-E152 IonicContact NE-OE2 2.71Å; R149-E152 IonicContact NH1-OE2 3.89Å; R149-E152 PolarHBondContact NH1-OE2 3.07Å; R150-E152 PolarHBondContact O-N 3.36Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.36Å; E152-K155 PolarHBondContact O-N 3.08Å; E152-K155 VanDerWaalsContact O-N 3.13Å; E152-E156 WeakPolarHBondContact O-CG 3.46Å; E152-E156 PolarHBondContact O-N 3.3Å
153T94.9Very high92.3Very high31 Ų3161.9 Ų61.919%0.1929%0.29CS..Hα-helixtrans-58.9-41.9179.5-53.90000111.5R149 R150 E156 M157 I194R149-T153 WeakPolarHBondContact O-CB 3.37Å; R149-T153 PolarHBondContact O-N 3.49Å; R149-T153 PolarHBondContact O-OG1 2.82Å; R150-T153 PolarHBondContact O-N 3.07Å; T153-E156 PolarHBondContact O-N 3.32Å; T153-M157 WeakPolarHBondContact O-CB 3.4Å; T153-M157 PolarHBondContact O-N 2.82Å; T153-M157 VanDerWaalsContact O-N 3.08Å; T153-I194 HydrophobicContact CG2-CG2 4.18Å
154L93.5Very high92.3Very high18 Ų1865.8 Ų65.89%0.09431%0.308CS..Hα-helixtrans-65.3-44.7175.5-67.6173.9000111.5R150 E152 E156 M157 D158 I194 V195R150-L154 HydrophobicContact CG-CD1 3.96Å; R150-L154 HydrophobicContact CG-CG 4.49Å; R150-L154 WeakPolarHBondContact O-CG 3.14Å; R150-L154 PolarHBondContact O-N 3.12Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.36Å; L154-E156 PolarHBondContact O-N 3.12Å; L154-M157 HydrophobicContact CD2-CE 3.86Å; L154-M157 PolarHBondContact O-N 3.15Å; L154-D158 WeakPolarHBondContact O-CB 3.39Å; L154-D158 PolarHBondContact O-N 3.38Å; L154-D158 VanDerWaalsContact O-OD1 3.11Å; L154-I194 HydrophobicContact CD2-CG2 3.96Å; L154-V195 HydrophobicContact CD1-CG2 4.18Å; L154-V195 HydrophobicContact CD2-CG2 3.7Å
155K94.3Very high92.4Very high152 Ų15266.6 Ų66.666%0.66131%0.312SS*.Hα-helixtrans-61.3-41.6174.9-75.7172.3179.7-178.40113.1N151 E152 M157 Q159N151-K155 WeakPolarHBondContact O-CB 3.35Å; N151-K155 VanDerWaalsContact O-CG 3.26Å; N151-K155 WeakPolarHBondContact O-CG 3.43Å; N151-K155 PolarHBondContact O-N 3.26Å; E152-K155 PolarHBondContact O-N 3.08Å; E152-K155 VanDerWaalsContact O-N 3.13Å; K155-M157 VanDerWaalsContact C-N 3.28Å; K155-M157 PolarHBondContact O-N 3.35Å; K155-Q159 WeakPolarHBondContact O-CB 3.45Å; K155-Q159 PolarHBondContact O-N 3.03Å
156E94.9Very high92.5Very high87 Ų8765.9 Ų65.941%0.40731%0.309SS..Hα-helixtrans-61.1-38.1176.2-73.4176.6-146.200111.4R149 E152 T153 L154 K160R149-E156 IonicContact NH1-OE1 3.74Å; R149-E156 PolarHBondContact NH1-OE1 3.22Å; R149-E156 IonicContact NH2-OE1 3.44Å; E152-E156 WeakPolarHBondContact O-CG 3.46Å; E152-E156 PolarHBondContact O-N 3.3Å; T153-E156 PolarHBondContact O-N 3.32Å; L154-E156 PolarHBondContact O-N 3.12Å; E156-K160 WeakPolarHBondContact O-CD 3.43Å; E156-K160 VanDerWaalsContact O-CG 3.22Å; E156-K160 WeakPolarHBondContact O-CG 3.38Å; E156-K160 PolarHBondContact O-N 3.29Å; E156-K160 VanDerWaalsContact O-N 3.13Å
157M92.2Very high92.4Very high24 Ų2468.6 Ų68.612%0.11832%0.317CS..Hα-helixtrans-74.9-45.8177.4176-161.874.500112.3T153 L154 K155 Q159 K160 H161 Y187 R191 I194T153-M157 WeakPolarHBondContact O-CB 3.4Å; T153-M157 PolarHBondContact O-N 2.82Å; T153-M157 VanDerWaalsContact O-N 3.08Å; L154-M157 HydrophobicContact CD2-CE 3.86Å; L154-M157 PolarHBondContact O-N 3.15Å; K155-M157 VanDerWaalsContact C-N 3.28Å; K155-M157 PolarHBondContact O-N 3.35Å; M157-Q159 VanDerWaalsContact C-N 3.26Å; M157-Q159 PolarHBondContact O-N 3.3Å; M157-K160 PolarHBondContact O-N 2.85Å; M157-H161 PolarHBondContact O-N 3.45Å; M157-Y187 HydrophobicContact CE-CE2 3.78Å; M157-Y187 HydrophobicContact CG-CD2 4.33Å; M157-Y187 HydrophobicContact CG-CE2 4.19Å; M157-Y187 HydrophobicContact SD-CE2 4.48Å; M157-R191 HydrophobicContact CE-CB 3.57Å; M157-R191 HydrophobicContact CE-CG 3.5Å; M157-R191 HydrophobicContact SD-CB 3.95Å; M157-R191 HydrophobicContact SD-CG 4.45Å; M157-I194 HydrophobicContact SD-CD1 3.74Å
158D93.4Very high92.1Very high50 Ų5069.2 Ų69.227%0.26732%0.322SS..Hα-helixtrans-56.1-42.9174.8-66.20.4000110.1L154 I162 Y187 R191L154-D158 WeakPolarHBondContact O-CB 3.39Å; L154-D158 PolarHBondContact O-N 3.38Å; L154-D158 VanDerWaalsContact O-OD1 3.11Å; D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3Å; D158-I162 VanDerWaalsContact O-N 3.13Å; D158-Y187 PolarHBondContact OD1-OH 2.82Å; D158-R191 IonicContact OD1-NE 2.76Å
159Q94.7Very high91.9Very high103 Ų10370 Ų7048%0.48133%0.328SS..Hα-helixtrans-66.6-44.3176-173.763.954.300112.8K155 M157 H161 I162 D163K155-Q159 WeakPolarHBondContact O-CB 3.45Å; K155-Q159 PolarHBondContact O-N 3.03Å; M157-Q159 VanDerWaalsContact C-N 3.26Å; M157-Q159 PolarHBondContact O-N 3.3Å; Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.36Å; Q159-I162 PolarHBondContact O-N 3.36Å; Q159-D163 PolarHBondContact NE2-OD1 3.36Å; Q159-D163 PolarHBondContact O-N 3.36Å
160K93.6Very high91.5Very high116 Ų11671.5 Ų71.550%0.50434%0.339SS..Hα-helixtrans-58.3-42.8176.6-76.4165-171167.50111.7E156 M157 D163 E164E156-K160 WeakPolarHBondContact O-CD 3.43Å; E156-K160 VanDerWaalsContact O-CG 3.22Å; E156-K160 WeakPolarHBondContact O-CG 3.38Å; E156-K160 PolarHBondContact O-N 3.29Å; E156-K160 VanDerWaalsContact O-N 3.13Å; M157-K160 PolarHBondContact O-N 2.85Å; K160-D163 PolarHBondContact O-N 2.91Å; K160-E164 WeakPolarHBondContact O-CB 3.16Å; K160-E164 VanDerWaalsContact O-CG 3.32Å; K160-E164 WeakPolarHBondContact O-CG 3.02Å; K160-E164 PolarHBondContact O-N 2.88Å
161H92Very high90.9Very high30 Ų3076.8 Ų76.814%0.13936%0.363CS..Hα-helixtrans-64.3-39.4176.7172.7-102.9000112.4M157 Q159 T165 Y187M157-H161 PolarHBondContact O-N 3.45Å; Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.36Å; H161-T165 VanDerWaalsContact O-CB 3.26Å; H161-T165 WeakPolarHBondContact O-CB 3.32Å; H161-T165 PolarHBondContact O-N 2.86Å; H161-T165 PolarHBondContact O-OG1 3.32Å; H161-Y187 HydrophobicContact CB-CD2 3.43Å; H161-Y187 VanDerWaalsContact CB-CD2 3.43Å; H161-Y187 HydrophobicContact CB-CE2 3.74Å; H161-Y187 HydrophobicContact CB-CG 3.98Å; H161-Y187 WeakPolarHBondContact CD2-CB 3.22Å; H161-Y187 AromaticContact CD2-CD1 3.99Å; H161-Y187 AromaticContact CD2-CD2 3.9Å; H161-Y187 AromaticContact CD2-CG 3.47Å; H161-Y187 VanDerWaalsContact CD2-CG 3.47Å; H161-Y187 AromaticContact CE1-CD1 3.96Å; H161-Y187 AromaticContact CG-CD2 3.55Å; H161-Y187 AromaticContact CG-CE2 3.97Å; H161-Y187 AromaticContact CG-CG 3.54Å; H161-Y187 AromaticContact ND1-CD1 4Å; H161-Y187 AromaticContact NE2-CD1 3.96Å; H161-Y187 AromaticContact NE2-CG 3.91Å
162I92.6Very high89.4Confident94 Ų9485.7 Ų85.748%0.48239%0.391SS..Hα-helixtrans-60.7-51172.7-69164.5000110.4D158 Q159 E164 T165 E166D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3Å; D158-I162 VanDerWaalsContact O-N 3.13Å; Q159-I162 PolarHBondContact O-N 3.36Å; I162-E164 VanDerWaalsContact C-N 3.34Å; I162-E164 PolarHBondContact O-N 2.99Å; I162-T165 PolarHBondContact O-N 3.2Å; I162-E166 PolarHBondContact O-N 2.66Å
163D92.7Very high88.3Confident53 Ų5385 Ų8528%0.28340%0.4SS..Hα-helixtrans-59.4-42.7179.7-70.38.2000112.3Q159 K160 E166 R167Q159-D163 PolarHBondContact NE2-OD1 3.36Å; Q159-D163 PolarHBondContact O-N 3.36Å; K160-D163 PolarHBondContact O-N 2.91Å; D163-E166 PolarHBondContact O-N 3.45Å; D163-R167 WeakPolarHBondContact O-CB 3.47Å; D163-R167 WeakPolarHBondContact O-CG 3.26Å; D163-R167 PolarHBondContact O-N 2.96Å; D163-R167 IonicContact OD2-NH2 3.38Å; D163-R167 PolarHBondContact OD2-NH2 2.93Å
164E89.9Confident87.1Confident82 Ų8289.2 Ų89.238%0.38343%0.432SS..Hα-helixtrans-72.1-35.3-179.5-74170.4-174.700112.2K160 I162 S168 L183K160-E164 WeakPolarHBondContact O-CB 3.16Å; K160-E164 VanDerWaalsContact O-CG 3.32Å; K160-E164 WeakPolarHBondContact O-CG 3.02Å; K160-E164 PolarHBondContact O-N 2.88Å; I162-E164 VanDerWaalsContact C-N 3.34Å; I162-E164 PolarHBondContact O-N 2.99Å; E164-S168 WeakPolarHBondContact O-CB 3.23Å; E164-S168 PolarHBondContact O-N 2.81Å; E164-S168 PolarHBondContact O-OG 3.04Å; E164-L183 HydrophobicContact CB-CD1 4.17Å; E164-L183 HydrophobicContact CB-CD2 3.92Å
165T90Very high86.3Confident23 Ų2395 Ų9514%0.14146%0.458CS..Hα-helixtrans-64.7-46.3171.7-590000110.2H161 I162 S168 I169 L183H161-T165 VanDerWaalsContact O-CB 3.26Å; H161-T165 WeakPolarHBondContact O-CB 3.32Å; H161-T165 PolarHBondContact O-N 2.86Å; H161-T165 PolarHBondContact O-OG1 3.32Å; I162-T165 PolarHBondContact O-N 3.2Å; T165-S168 PolarHBondContact O-N 3Å; T165-S168 VanDerWaalsContact O-N 3.14Å; T165-I169 HydrophobicContact CG2-CD1 3.91Å; T165-I169 WeakPolarHBondContact O-CG1 3.49Å; T165-I169 PolarHBondContact O-N 3.01Å; T165-L183 WeakPolarHBondContact OG1-CD2 3.33Å
166E89.7Confident85.6Confident106 Ų10690.1 Ų90.150%0.49544%0.439SS..Hα-helixtrans-62.6-47.3178.7-163.1-168.3156.500111.7I162 D163 S168 I169 Q170I162-E166 PolarHBondContact O-N 2.66Å; D163-E166 PolarHBondContact O-N 3.45Å; E166-S168 PolarHBondContact O-N 3.4Å; E166-I169 PolarHBondContact O-N 3.04Å; E166-I169 VanDerWaalsContact O-N 3.15Å; E166-Q170 WeakPolarHBondContact O-CG 3.47Å; E166-Q170 PolarHBondContact O-N 3.09Å; E166-Q170 PolarHBondContact OE1-NE2 3.09Å
167R88.4Confident85.1Confident129 Ų12990 Ų9049%0.48745%0.446SS..Hα-helixtrans-57.3-32.7174.2-71.7169.2-158.5149.38.7112.4D163 K171D163-R167 WeakPolarHBondContact O-CB 3.47Å; D163-R167 WeakPolarHBondContact O-CG 3.26Å; D163-R167 PolarHBondContact O-N 2.96Å; D163-R167 IonicContact OD2-NH2 3.38Å; D163-R167 PolarHBondContact OD2-NH2 2.93Å; R167-K171 WeakPolarHBondContact O-CG 3.43Å
168S85.9Confident84.8Confident15 Ų1595.2 Ų95.211%0.10547%0.47CS..Hα-helixtrans-76.9-36.8178.6-590000112.1E164 T165 E166 K171E164-S168 WeakPolarHBondContact O-CB 3.23Å; E164-S168 PolarHBondContact O-N 2.81Å; E164-S168 PolarHBondContact O-OG 3.04Å; T165-S168 PolarHBondContact O-N 3Å; T165-S168 VanDerWaalsContact O-N 3.14Å; E166-S168 PolarHBondContact O-N 3.4Å; S168-K171 PolarHBondContact O-N 3.38Å
169I86.6Confident84.5Confident100 Ų10095.4 Ų95.451%0.51347%0.473SS..Hα-helixtrans-66.7-36.9172.7-67.6165.9000111.6T165 E166 K171 I180T165-I169 HydrophobicContact CG2-CD1 3.91Å; T165-I169 WeakPolarHBondContact O-CG1 3.49Å; T165-I169 PolarHBondContact O-N 3.01Å; E166-I169 PolarHBondContact O-N 3.04Å; E166-I169 VanDerWaalsContact O-N 3.15Å; I169-K171 VanDerWaalsContact C-N 3.27Å; I169-K171 PolarHBondContact O-N 3.06Å; I169-I180 HydrophobicContact CD1-CD1 4.33Å; I169-I180 HydrophobicContact CG1-CD1 3.62Å
170Q84Confident84.2Confident130 Ų13092 Ų9261%0.60746%0.457SS*.Hα-helixtrans-67.5-24.6178.7-70.8176.512.100113.2E166 R172E166-Q170 WeakPolarHBondContact O-CG 3.47Å; E166-Q170 PolarHBondContact O-N 3.09Å; E166-Q170 PolarHBondContact OE1-NE2 3.09Å; Q170-R172 PolarHBondContact O-N 2.7Å
171K80.3Confident84Confident139 Ų13989.8 Ų89.860%0.60445%0.454SS*.SBendtrans-75104.5175-70.1168.6-173.4172.60110.1R167 S168 I169 G173 I176R167-K171 WeakPolarHBondContact O-CG 3.43Å; S168-K171 PolarHBondContact O-N 3.38Å; I169-K171 VanDerWaalsContact C-N 3.27Å; I169-K171 PolarHBondContact O-N 3.06Å; K171-G173 PolarHBondContact O-N 3.16Å; K171-I176 WeakPolarHBondContact O-CD1 3.35Å; K171-I176 WeakPolarHBondContact O-CG1 3.35Å
172R60.1Low84Confident255 Ų25594 Ų9496%0.96247%0.473SS*.  trans-66.999.4172.3-68.1-174.1-179.7-1660.3111.1Q170Q170-R172 PolarHBondContact O-N 2.7Å
173G70.3Confident83.8Confident47 Ų4790.9 Ų90.949%0.48546%0.458SS..SBendtrans-148.6169.717400000111.9K171 E175 I176K171-G173 PolarHBondContact O-N 3.16Å; G173-E175 VanDerWaalsContact C-N 3.33Å; G173-I176 VanDerWaalsContact O-CD1 3.22Å; G173-I176 WeakPolarHBondContact O-CD1 3.31Å; G173-I176 WeakPolarHBondContact O-CG1 3.39Å
174S69.6Low83.8Confident121 Ų12192.1 Ų92.185%0.84646%0.462SS*.THydrogen-bonded Turntrans-78.6-19.7176.2-162.90000113I176S174-I176 VanDerWaalsContact C-N 3.34Å
175E78Confident84Confident140 Ų14093.8 Ų93.865%0.65447%0.47SS*.THydrogen-bonded Turntrans-89.24.6-172-64162.9-168.300113.2G173 E178 T179G173-E175 VanDerWaalsContact C-N 3.33Å; E175-E178 PolarHBondContact O-N 2.76Å; E175-T179 WeakPolarHBondContact O-CB 3.36Å; E175-T179 PolarHBondContact O-N 2.96Å; E175-T179 PolarHBondContact O-OG1 2.73Å
176I79.5Confident84Confident48 Ų4897.2 Ų97.225%0.24649%0.487CS..Hα-helixtrans-53.7-47.6-178.1-60.4165.1000112.2K171 G173 S174 E178 T179 I180K171-I176 WeakPolarHBondContact O-CD1 3.35Å; K171-I176 WeakPolarHBondContact O-CG1 3.35Å; G173-I176 VanDerWaalsContact O-CD1 3.22Å; G173-I176 WeakPolarHBondContact O-CD1 3.31Å; G173-I176 WeakPolarHBondContact O-CG1 3.39Å; S174-I176 VanDerWaalsContact C-N 3.34Å; I176-E178 PolarHBondContact O-N 2.77Å; I176-T179 PolarHBondContact O-N 3.4Å; I176-I180 HydrophobicContact CG2-CD1 3.53Å; I176-I180 HydrophobicContact CG2-CG1 4.27Å; I176-I180 WeakPolarHBondContact O-CB 3.43Å; I176-I180 VanDerWaalsContact O-CG1 3.28Å; I176-I180 WeakPolarHBondContact O-CG1 3.38Å; I176-I180 PolarHBondContact O-N 3.07Å
177P83.8Confident84.2Confident85 Ų8593.9 Ų93.955%0.55247%0.47SS*.Hα-helixtrans-66-40.4-176.2-2033.9000112.7I180 T181P177-I180 PolarHBondContact O-N 2.72Å; P177-T181 WeakPolarHBondContact O-CB 3.45Å; P177-T181 PolarHBondContact O-N 3.46Å; P177-T181 PolarHBondContact O-OG1 3.43Å
178E86Confident84.4Confident133 Ų13394.8 Ų94.862%0.62148%0.475SS*.Hα-helixtrans-67.4-44179.3-63.9177.9-175.900110.7E175 I176 I180 T181 Q182E175-E178 PolarHBondContact O-N 2.76Å; I176-E178 PolarHBondContact O-N 2.77Å; E178-I180 PolarHBondContact O-N 2.93Å; E178-T181 PolarHBondContact O-N 3.18Å; E178-Q182 WeakPolarHBondContact O-CG 2.92Å; E178-Q182 PolarHBondContact O-N 3.49Å
179T86.5Confident84.8Confident55 Ų5599.1 Ų99.134%0.33750%0.496SS..Hα-helixtrans-60.7-44.4176-52.80000111.8E175 I176 T181 L183E175-T179 WeakPolarHBondContact O-CB 3.36Å; E175-T179 PolarHBondContact O-N 2.96Å; E175-T179 PolarHBondContact O-OG1 2.73Å; I176-T179 PolarHBondContact O-N 3.4Å; T179-T181 VanDerWaalsContact C-N 3.35Å; T179-L183 WeakPolarHBondContact O-CB 3.48Å; T179-L183 PolarHBondContact O-N 2.71Å
180I88.5Confident85.1Confident30 Ų3098.9 Ų98.915%0.15450%0.496CS..Hα-helixtrans-66.9-37.5177.9-68.7171000111.1I169 I176 P177 E178 L183 Q184I169-I180 HydrophobicContact CD1-CD1 4.33Å; I169-I180 HydrophobicContact CG1-CD1 3.62Å; I176-I180 HydrophobicContact CG2-CD1 3.53Å; I176-I180 HydrophobicContact CG2-CG1 4.27Å; I176-I180 WeakPolarHBondContact O-CB 3.43Å; I176-I180 VanDerWaalsContact O-CG1 3.28Å; I176-I180 WeakPolarHBondContact O-CG1 3.38Å; I176-I180 PolarHBondContact O-N 3.07Å; P177-I180 PolarHBondContact O-N 2.72Å; E178-I180 PolarHBondContact O-N 2.93Å; I180-L183 PolarHBondContact O-N 3Å; I180-Q184 HydrophobicContact CG2-CG 4.47Å; I180-Q184 WeakPolarHBondContact O-CB 3.45Å; I180-Q184 VanDerWaalsContact O-CG 3.31Å; I180-Q184 WeakPolarHBondContact O-CG 3.37Å; I180-Q184 PolarHBondContact O-N 3.21Å
181T89.8Confident85.6Confident70 Ų7096.8 Ų96.843%0.42948%0.482SS..Hα-helixtrans-64.2-47.9178.2-540000110.8P177 E178 T179 L183 Q184 E185P177-T181 WeakPolarHBondContact O-CB 3.45Å; P177-T181 PolarHBondContact O-N 3.46Å; P177-T181 PolarHBondContact O-OG1 3.43Å; E178-T181 PolarHBondContact O-N 3.18Å; T179-T181 VanDerWaalsContact C-N 3.35Å; T181-L183 PolarHBondContact O-N 2.72Å; T181-Q184 PolarHBondContact O-N 3.01Å; T181-E185 WeakPolarHBondContact O-CG 3.38Å; T181-E185 PolarHBondContact O-N 2.92Å
182Q90.9Very high86.2Confident118 Ų11896.5 Ų96.555%0.55148%0.483SS*.Hα-helixtrans-60.4-44.5175.7-70.1172.13.800111.9E178 Q184 E185 D186E178-Q182 WeakPolarHBondContact O-CG 2.92Å; E178-Q182 PolarHBondContact O-N 3.49Å; Q182-Q184 VanDerWaalsContact C-N 3.29Å; Q182-Q184 PolarHBondContact O-N 3.37Å; Q182-E185 PolarHBondContact O-N 3.49Å; Q182-D186 WeakPolarHBondContact O-CB 3.28Å; Q182-D186 PolarHBondContact O-N 3.05Å
183L90.3Very high87.9Confident30 Ų3089.2 Ų89.216%0.15747%0.467CS..Hα-helixtrans-60.5-37.6177.4-177.665.3000112.4E164 T165 T179 I180 T181 Y187E164-L183 HydrophobicContact CB-CD1 4.17Å; E164-L183 HydrophobicContact CB-CD2 3.92Å; T165-L183 WeakPolarHBondContact OG1-CD2 3.33Å; T179-L183 WeakPolarHBondContact O-CB 3.48Å; T179-L183 PolarHBondContact O-N 2.71Å; I180-L183 PolarHBondContact O-N 3Å; T181-L183 PolarHBondContact O-N 2.72Å; L183-Y187 VanDerWaalsContact O-CB 3.22Å; L183-Y187 WeakPolarHBondContact O-CB 3.29Å; L183-Y187 PolarHBondContact O-N 2.95Å
184Q92.4Very high89Confident79 Ų7989.3 Ų89.337%0.36946%0.455SS..Hα-helixtrans-68.7-45175.1-75.2176.53.900111.8I180 T181 Q182 Y187 Y188I180-Q184 HydrophobicContact CG2-CG 4.47Å; I180-Q184 WeakPolarHBondContact O-CB 3.45Å; I180-Q184 VanDerWaalsContact O-CG 3.31Å; I180-Q184 WeakPolarHBondContact O-CG 3.37Å; I180-Q184 PolarHBondContact O-N 3.21Å; T181-Q184 PolarHBondContact O-N 3.01Å; Q182-Q184 VanDerWaalsContact C-N 3.29Å; Q182-Q184 PolarHBondContact O-N 3.37Å; Q184-Y187 PolarHBondContact O-N 3.26Å; Q184-Y188 HydrophobicContact CB-CE2 4.31Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.46Å; Q184-Y188 PolarHBondContact O-N 2.92Å
185E92.5Very high90.1Very high117 Ų11785.2 Ų85.255%0.54743%0.425SS..Hα-helixtrans-58.9-50.3176.3-72.4177.2176.300111.4T181 Q182 Y187 Y188 L189T181-E185 WeakPolarHBondContact O-CG 3.38Å; T181-E185 PolarHBondContact O-N 2.92Å; Q182-E185 PolarHBondContact O-N 3.49Å; E185-Y187 VanDerWaalsContact C-N 3.33Å; E185-Y187 PolarHBondContact O-N 3.24Å; E185-Y188 PolarHBondContact O-N 2.87Å; E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 3.24Å
186D91.4Very high90.9Very high94 Ų9481.8 Ų81.850%0.50342%0.417SS..Hα-helixtrans-58.7-43175.5-82-17.5000111.7Q182 N190Q182-D186 WeakPolarHBondContact O-CB 3.28Å; Q182-D186 PolarHBondContact O-N 3.05Å; D186-N190 VanDerWaalsContact O-CB 3.3Å; D186-N190 WeakPolarHBondContact O-CB 3.23Å; D186-N190 PolarHBondContact O-N 3.24Å; D186-N190 PolarHBondContact O-ND2 3.21Å
187Y93.3Very high91.7Very high37 Ų3784.9 Ų84.915%0.14543%0.43CS..Hα-helixtrans-63.3-45.1177164.4-101.7000112.4M157 D158 H161 L183 Q184 E185 R191M157-Y187 HydrophobicContact CE-CE2 3.78Å; M157-Y187 HydrophobicContact CG-CD2 4.33Å; M157-Y187 HydrophobicContact CG-CE2 4.19Å; M157-Y187 HydrophobicContact SD-CE2 4.48Å; D158-Y187 PolarHBondContact OD1-OH 2.82Å; H161-Y187 HydrophobicContact CB-CD2 3.43Å; H161-Y187 VanDerWaalsContact CB-CD2 3.43Å; H161-Y187 HydrophobicContact CB-CE2 3.74Å; H161-Y187 HydrophobicContact CB-CG 3.98Å; H161-Y187 WeakPolarHBondContact CD2-CB 3.22Å; H161-Y187 AromaticContact CD2-CD1 3.99Å; H161-Y187 AromaticContact CD2-CD2 3.9Å; H161-Y187 AromaticContact CD2-CG 3.47Å; H161-Y187 VanDerWaalsContact CD2-CG 3.47Å; H161-Y187 AromaticContact CE1-CD1 3.96Å; H161-Y187 AromaticContact CG-CD2 3.55Å; H161-Y187 AromaticContact CG-CE2 3.97Å; H161-Y187 AromaticContact CG-CG 3.54Å; H161-Y187 AromaticContact ND1-CD1 4Å; H161-Y187 AromaticContact NE2-CD1 3.96Å; H161-Y187 AromaticContact NE2-CG 3.91Å; L183-Y187 VanDerWaalsContact O-CB 3.22Å; L183-Y187 WeakPolarHBondContact O-CB 3.29Å; L183-Y187 PolarHBondContact O-N 2.95Å; Q184-Y187 PolarHBondContact O-N 3.26Å; E185-Y187 VanDerWaalsContact C-N 3.33Å; E185-Y187 PolarHBondContact O-N 3.24Å; Y187-R191 WeakPolarHBondContact O-CB 3.46Å; Y187-R191 PolarHBondContact O-N 2.96Å
188Y92.9Very high92.2Very high148 Ų14882.7 Ų82.758%0.5841%0.411SS*.Hα-helixtrans-63.1-44.2178.6-76.5-61.5000111.8Q184 E185 R191 E192Q184-Y188 HydrophobicContact CB-CE2 4.31Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.46Å; Q184-Y188 PolarHBondContact O-N 2.92Å; E185-Y188 PolarHBondContact O-N 2.87Å; Y188-R191 PolarHBondContact O-N 3.15Å; Y188-E192 WeakPolarHBondContact O-CB 3.45Å; Y188-E192 PolarHBondContact O-N 3.21Å
189L93.7Very high92.5Very high106 Ų10679.1 Ų79.156%0.55540%0.396SS*.Hα-helixtrans-63.2-49177.4-69.5171000111.9E185 R191 E192 V193E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 3.24Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.41Å; L189-E192 PolarHBondContact O-N 3.02Å; L189-V193 WeakPolarHBondContact O-CG2 3.46Å; L189-V193 PolarHBondContact O-N 3.1Å; L189-V193 VanDerWaalsContact O-N 3.07Å
190N93.3Very high92.9Very high94 Ų9480 Ų8050%0.50340%0.404SS..Hα-helixtrans-62.2-39.6177.6-76.8-57.6000111.7D186 V193 I194D186-N190 VanDerWaalsContact O-CB 3.3Å; D186-N190 WeakPolarHBondContact O-CB 3.23Å; D186-N190 PolarHBondContact O-N 3.24Å; D186-N190 PolarHBondContact O-ND2 3.21Å; N190-V193 PolarHBondContact O-N 2.83Å; N190-I194 WeakPolarHBondContact O-CB 3.49Å; N190-I194 VanDerWaalsContact O-CG1 3.27Å; N190-I194 WeakPolarHBondContact O-CG1 3.25Å; N190-I194 PolarHBondContact O-N 3.27Å
191R94.2Very high93.2Very high86 Ų8680.8 Ų80.833%0.32541%0.412SS..Hα-helixtrans-62.5-45.3176178.2164.5-154.3-62.8-3.4112.1M157 D158 Y187 Y188 L189 I194 V195M157-R191 HydrophobicContact CE-CB 3.57Å; M157-R191 HydrophobicContact CE-CG 3.5Å; M157-R191 HydrophobicContact SD-CB 3.95Å; M157-R191 HydrophobicContact SD-CG 4.45Å; D158-R191 IonicContact OD1-NE 2.76Å; Y187-R191 WeakPolarHBondContact O-CB 3.46Å; Y187-R191 PolarHBondContact O-N 2.96Å; Y188-R191 PolarHBondContact O-N 3.15Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.41Å; R191-I194 PolarHBondContact O-N 2.79Å; R191-V195 HydrophobicContact CG-CG2 4.39Å; R191-V195 WeakPolarHBondContact O-CB 3.42Å; R191-V195 VanDerWaalsContact O-CG2 3.24Å; R191-V195 WeakPolarHBondContact O-CG2 3.37Å; R191-V195 PolarHBondContact O-N 3.24Å
192E93.8Very high93.4Very high134 Ų13477.7 Ų77.763%0.62639%0.393SS*.Hα-helixtrans-61.8-45.7177.7-173.6174.7-179.200111.4Y188 L189 I194 V195 S196Y188-E192 WeakPolarHBondContact O-CB 3.45Å; Y188-E192 PolarHBondContact O-N 3.21Å; L189-E192 PolarHBondContact O-N 3.02Å; E192-I194 PolarHBondContact O-N 3.36Å; E192-V195 PolarHBondContact O-N 2.95Å; E192-S196 WeakPolarHBondContact O-CB 3.19Å; E192-S196 PolarHBondContact O-N 3.02Å
193V94.9Very high93.5Very high101 Ų10174.7 Ų74.761%0.61239%0.385SS*.Hα-helixtrans-60.9-44.9176.31730000111.7L189 N190 H197L189-V193 WeakPolarHBondContact O-CG2 3.46Å; L189-V193 PolarHBondContact O-N 3.1Å; L189-V193 VanDerWaalsContact O-N 3.07Å; N190-V193 PolarHBondContact O-N 2.83Å; V193-H197 WeakPolarHBondContact O-CB 3.31Å; V193-H197 PolarHBondContact O-N 2.7Å
194I93.6Very high93.7Very high49 Ų4976.1 Ų76.125%0.25140%0.401SS..Hα-helixtrans-66.3-44.6179.6-72.4166.8000111.2T153 L154 M157 N190 R191 E192 H197 W198T153-I194 HydrophobicContact CG2-CG2 4.18Å; L154-I194 HydrophobicContact CD2-CG2 3.96Å; M157-I194 HydrophobicContact SD-CD1 3.74Å; N190-I194 WeakPolarHBondContact O-CB 3.49Å; N190-I194 VanDerWaalsContact O-CG1 3.27Å; N190-I194 WeakPolarHBondContact O-CG1 3.25Å; N190-I194 PolarHBondContact O-N 3.27Å; R191-I194 PolarHBondContact O-N 2.79Å; E192-I194 PolarHBondContact O-N 3.36Å; I194-H197 PolarHBondContact O-N 3.01Å; I194-W198 PolarHBondContact O-N 2.71Å
195V93.3Very high93.7Very high35 Ų3573.1 Ų73.121%0.21239%0.388CS..Hα-helixtrans-60.6-52.1175.9170.20000110.2L154 R191 E192 H197 W198 D199L154-V195 HydrophobicContact CD1-CG2 4.18Å; L154-V195 HydrophobicContact CD2-CG2 3.7Å; R191-V195 HydrophobicContact CG-CG2 4.39Å; R191-V195 WeakPolarHBondContact O-CB 3.42Å; R191-V195 VanDerWaalsContact O-CG2 3.24Å; R191-V195 WeakPolarHBondContact O-CG2 3.37Å; R191-V195 PolarHBondContact O-N 3.24Å; E192-V195 PolarHBondContact O-N 2.95Å; V195-H197 VanDerWaalsContact C-N 3.31Å; V195-H197 PolarHBondContact O-N 3.26Å; V195-W198 PolarHBondContact O-N 2.68Å; V195-W198 VanDerWaalsContact O-N 3.15Å; V195-D199 VanDerWaalsContact CG1-OD2 3.23Å; V195-D199 WeakPolarHBondContact CG1-OD2 3.49Å; V195-D199 WeakPolarHBondContact O-CB 3.15Å; V195-D199 VanDerWaalsContact O-CG 3.28Å; V195-D199 PolarHBondContact O-N 2.72Å
196S94.3Very high93.8Very high68 Ų6868 Ų6848%0.47636%0.364SS..Hα-helixtrans-57.7-40.5179.4-178.90000112.9E192 S200E192-S196 WeakPolarHBondContact O-CB 3.19Å; E192-S196 PolarHBondContact O-N 3.02Å; S196-S200 VanDerWaalsContact O-CB 3.25Å; S196-S200 WeakPolarHBondContact O-CB 3.44Å; S196-S200 PolarHBondContact O-N 2.98Å; S196-S200 PolarHBondContact O-OG 3.44Å
197H95.9Very high93.8Very high113 Ų11371.4 Ų71.452%0.52337%0.369SS..Hα-helixtrans-62.7-50.6174.317667.9000112.2V193 I194 V195 S200 C201V193-H197 WeakPolarHBondContact O-CB 3.31Å; V193-H197 PolarHBondContact O-N 2.7Å; I194-H197 PolarHBondContact O-N 3.01Å; V195-H197 VanDerWaalsContact C-N 3.31Å; V195-H197 PolarHBondContact O-N 3.26Å; H197-S200 PolarHBondContact O-N 2.89Å; H197-C201 PolarHBondContact O-N 3.05Å; H197-C201 PolarHBondContact O-SG 3.34Å
198W95.3Very high93.8Very high40 Ų4074.1 Ų74.115%0.15238%0.383CS..Hα-helixtrans-63.6-43.9-179.9-82.6114.1000112.3K146 R149 R150 I194 V195 C201 I202K146-W198 HydrophobicContact CD-CZ3 4.26Å; R149-W198 HydrophobicContact CB-CH2 3.94Å; R149-W198 HydrophobicContact CB-CZ3 4.41Å; R149-W198 HydrophobicContact CG-CH2 3.65Å; R149-W198 HydrophobicContact CG-CZ2 4.06Å; R150-W198 HydrophobicContact CB-CB 4.05Å; R150-W198 HydrophobicContact CB-CD2 3.86Å; R150-W198 HydrophobicContact CB-CE3 4.16Å; R150-W198 HydrophobicContact CB-CG 3.8Å; R150-W198 HydrophobicContact CG-CB 3.59Å; R150-W198 HydrophobicContact CG-CD2 4.27Å; R150-W198 HydrophobicContact CG-CG 3.66Å; I194-W198 PolarHBondContact O-N 2.71Å; V195-W198 PolarHBondContact O-N 2.68Å; V195-W198 VanDerWaalsContact O-N 3.15Å; W198-C201 PolarHBondContact O-N 2.74Å; W198-I202 WeakPolarHBondContact O-CB 3.31Å; W198-I202 WeakPolarHBondContact O-CD1 3.42Å; W198-I202 VanDerWaalsContact O-CG1 3.26Å; W198-I202 WeakPolarHBondContact O-CG1 3.42Å; W198-I202 PolarHBondContact O-N 3.15Å
199D92.8Very high93.8Very high57 Ų5767.3 Ų67.331%0.30536%0.357SS..Hα-helixtrans-65.4-41.4180-66.6-15000110.6R150 V195 C201 I202 S203R150-D199 IonicContact CZ-OD1 3.66Å; R150-D199 IonicContact NH1-OD1 3.42Å; R150-D199 PolarHBondContact NH1-OD1 3.46Å; V195-D199 VanDerWaalsContact CG1-OD2 3.23Å; V195-D199 WeakPolarHBondContact CG1-OD2 3.49Å; V195-D199 WeakPolarHBondContact O-CB 3.15Å; V195-D199 VanDerWaalsContact O-CG 3.28Å; V195-D199 PolarHBondContact O-N 2.72Å; D199-C201 PolarHBondContact O-N 3.29Å; D199-I202 PolarHBondContact O-N 3Å; D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 3.49Å; D199-S203 PolarHBondContact O-OG 3.17Å; D199-S203 VanDerWaalsContact O-OG 3.04Å
200S94.3Very high93.7Very high74 Ų7465.2 Ų65.252%0.51734%0.341SS..Hα-helixtrans-58.3-44.5171.6-62.30000112.4S196 H197 A204S196-S200 VanDerWaalsContact O-CB 3.25Å; S196-S200 WeakPolarHBondContact O-CB 3.44Å; S196-S200 PolarHBondContact O-N 2.98Å; S196-S200 PolarHBondContact O-OG 3.44Å; H197-S200 PolarHBondContact O-N 2.89Å; S200-A204 VanDerWaalsContact O-CB 3.31Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 2.97Å
201C94.9Very high93.6Very high46 Ų4664 Ų6431%0.31133%0.333SS..Hα-helixtrans-67.2-36.7177.2-74.90000113.4H197 W198 D199 L205H197-C201 PolarHBondContact O-N 3.05Å; H197-C201 PolarHBondContact O-SG 3.34Å; W198-C201 PolarHBondContact O-N 2.74Å; D199-C201 PolarHBondContact O-N 3.29Å; C201-L205 WeakPolarHBondContact O-CB 3.48Å; C201-L205 PolarHBondContact O-N 3.13Å; C201-L205 VanDerWaalsContact O-N 3.16Å
202I93.7Very high93.3Very high5 Ų561.6 Ų61.63%0.02633%0.331CS..Hα-helixtrans-71.7-44.6178.6-70.5160.2000110.2K146 L147 R150 W198 D199 A204 L205 K206K146-I202 HydrophobicContact CB-CG1 4.02Å; L147-I202 HydrophobicContact CD2-CD1 3.79Å; L147-I202 HydrophobicContact CG-CD1 4.28Å; R150-I202 HydrophobicContact CB-CD1 4.4Å; W198-I202 WeakPolarHBondContact O-CB 3.31Å; W198-I202 WeakPolarHBondContact O-CD1 3.42Å; W198-I202 VanDerWaalsContact O-CG1 3.26Å; W198-I202 WeakPolarHBondContact O-CG1 3.42Å; W198-I202 PolarHBondContact O-N 3.15Å; D199-I202 PolarHBondContact O-N 3Å; I202-A204 PolarHBondContact O-N 3.42Å; I202-L205 PolarHBondContact O-N 2.93Å; I202-K206 HydrophobicContact CG2-CD 4.14Å; I202-K206 HydrophobicContact CG2-CG 4.44Å; I202-K206 WeakPolarHBondContact O-CG 3.33Å; I202-K206 PolarHBondContact O-N 3.02Å
203S92.8Very high93.1Very high56 Ų5655.2 Ų55.239%0.39230%0.301SS..Hα-helixtrans-64.3-38.9176.7-620000112.2D199 K206 W207D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 3.49Å; D199-S203 PolarHBondContact O-OG 3.17Å; D199-S203 VanDerWaalsContact O-OG 3.04Å; S203-K206 PolarHBondContact O-N 2.73Å; S203-W207 WeakPolarHBondContact O-CB 3.4Å; S203-W207 PolarHBondContact O-N 3.13Å
204A93.8Very high92.9Very high60 Ų6052.8 Ų52.850%0.49628%0.281SS..Hα-helixtrans-61.6-43.6173.100000112.3S200 I202 W207 E208S200-A204 VanDerWaalsContact O-CB 3.31Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 2.97Å; I202-A204 PolarHBondContact O-N 3.42Å; A204-W207 PolarHBondContact O-N 3.4Å; A204-E208 PolarHBondContact O-N 3.04Å
205L93.5Very high92.7Very high16 Ų1654.9 Ų54.98%0.08430%0.296CS..Hα-helixtrans-63.8-46.3175.5179.969.2000111.8E142 V143 K146 C201 I202 W207 E208 H209E142-L205 HydrophobicContact CB-CD2 4.49Å; E142-L205 HydrophobicContact CG-CD1 4.43Å; E142-L205 HydrophobicContact CG-CD2 3.93Å; V143-L205 HydrophobicContact CG2-CD2 4.05Å; K146-L205 HydrophobicContact CG-CD2 3.84Å; C201-L205 WeakPolarHBondContact O-CB 3.48Å; C201-L205 PolarHBondContact O-N 3.13Å; C201-L205 VanDerWaalsContact O-N 3.16Å; I202-L205 PolarHBondContact O-N 2.93Å; L205-W207 VanDerWaalsContact C-N 3.28Å; L205-W207 PolarHBondContact O-N 3.02Å; L205-E208 PolarHBondContact O-N 3.34Å; L205-H209 VanDerWaalsContact CD1-NE2 3.34Å; L205-H209 WeakPolarHBondContact CD1-NE2 3.43Å; L205-H209 PolarHBondContact O-CD2 3.48Å; L205-H209 VanDerWaalsContact O-CG 3.28Å; L205-H209 PolarHBondContact O-N 3.24Å
206K94Very high92.3Very high10 Ų1054.5 Ų54.54%0.04329%0.292CS..Hα-helixtrans-61-37.5176.8-73.6-178.3178-174.70112V143 I202 S203 R210 E361 T364 E370V143-K206 HydrophobicContact CG2-CG 3.98Å; I202-K206 HydrophobicContact CG2-CD 4.14Å; I202-K206 HydrophobicContact CG2-CG 4.44Å; I202-K206 WeakPolarHBondContact O-CG 3.33Å; I202-K206 PolarHBondContact O-N 3.02Å; S203-K206 PolarHBondContact O-N 2.73Å; K206-R210 PolarHBondContact O-N 3.49Å; K206-E361 WeakPolarHBondContact CE-O 3.5Å; K206-E361 PolarHBondContact NZ-O 2.82Å; K206-T364 HydrophobicContact CB-CG2 4.03Å; K206-T364 HydrophobicContact CG-CG2 4.33Å; K206-T364 VanDerWaalsContact O-CG2 3.29Å; K206-T364 WeakPolarHBondContact O-CG2 3.43Å; K206-E370 WeakPolarHBondContact CB-OE1 3.17Å; K206-E370 WeakPolarHBondContact CD-OE1 3.47Å
207W92.3Very high92.1Very high165 Ų16551.2 Ų51.263%0.62527%0.269SS*.Hα-helixtrans-65.4-45.2173.2-17592.9000112S203 A204 L205 H209 R210 Q211S203-W207 WeakPolarHBondContact O-CB 3.4Å; S203-W207 PolarHBondContact O-N 3.13Å; A204-W207 PolarHBondContact O-N 3.4Å; L205-W207 VanDerWaalsContact C-N 3.28Å; L205-W207 PolarHBondContact O-N 3.02Å; W207-H209 PolarHBondContact O-N 3.48Å; W207-R210 PolarHBondContact O-N 3.47Å; W207-Q211 HydrophobicContact CD2-CG 3.95Å; W207-Q211 HydrophobicContact CE3-CG 3.99Å; W207-Q211 HydrophobicContact CH2-CG 3.81Å; W207-Q211 HydrophobicContact CZ2-CG 3.75Å; W207-Q211 HydrophobicContact CZ3-CG 3.92Å; W207-Q211 WeakPolarHBondContact O-CG 3.22Å; W207-Q211 PolarHBondContact O-N 2.95Å
208E92.1Very high91.7Very high93 Ų9348.8 Ų48.844%0.43526%0.259SS..Hα-helixtrans-58.1-47.6175.1-176.6177.1174.900111.4A204 L205 R210 Q211 A212A204-E208 PolarHBondContact O-N 3.04Å; L205-E208 PolarHBondContact O-N 3.34Å; E208-R210 VanDerWaalsContact C-N 3.33Å; E208-R210 PolarHBondContact O-N 3.48Å; E208-Q211 PolarHBondContact O-N 2.63Å; E208-A212 WeakPolarHBondContact O-CB 3.29Å; E208-A212 PolarHBondContact O-N 3.45Å
209H92.9Very high91.3Very high5 Ų549.1 Ų49.12%0.02327%0.267CS..Hα-helixtrans-55-46.7175.6-68.4177.8000111.9F139 E142 L205 W207 Q211 A212 L213 T364F139-H209 HydrophobicContact CB-CB 4.34Å; F139-H209 WeakPolarHBondContact CB-ND1 3.11Å; F139-H209 HydrophobicContact CD1-CB 3.98Å; F139-H209 AromaticContact CD1-CD2 3.28Å; F139-H209 WeakPolarHBondContact CD1-CD2 3.4Å; F139-H209 AromaticContact CD1-CE1 3.78Å; F139-H209 AromaticContact CD1-CG 3.42Å; F139-H209 VanDerWaalsContact CD1-CG 3.42Å; F139-H209 AromaticContact CD1-ND1 3.75Å; F139-H209 AromaticContact CD1-NE2 3.51Å; F139-H209 HydrophobicContact CD2-CB 3.85Å; F139-H209 HydrophobicContact CE1-CB 4.16Å; F139-H209 AromaticContact CE1-CD2 3.55Å; F139-H209 AromaticContact CE1-CG 3.9Å; F139-H209 HydrophobicContact CE2-CB 4.04Å; F139-H209 WeakPolarHBondContact CE2-O 3.18Å; F139-H209 HydrophobicContact CG-CB 3.81Å; F139-H209 AromaticContact CG-CD2 3.93Å; F139-H209 AromaticContact CG-CG 3.55Å; F139-H209 AromaticContact CG-ND1 3.66Å; F139-H209 HydrophobicContact CZ-CB 4.19Å; F139-H209 PolarHBondContact O-CE1 2.9Å; E142-H209 IonicContact OE2-NE2 3.71Å; L205-H209 VanDerWaalsContact CD1-NE2 3.34Å; L205-H209 WeakPolarHBondContact CD1-NE2 3.43Å; L205-H209 PolarHBondContact O-CD2 3.48Å; L205-H209 VanDerWaalsContact O-CG 3.28Å; L205-H209 PolarHBondContact O-N 3.24Å; W207-H209 PolarHBondContact O-N 3.48Å; H209-Q211 PolarHBondContact O-N 2.84Å; H209-A212 PolarHBondContact O-N 3.01Å; H209-L213 WeakPolarHBondContact O-CB 3.31Å; H209-L213 PolarHBondContact O-N 3.41Å; H209-T364 HydrophobicContact CB-CG2 3.94Å; H209-T364 PolarHBondContact ND1-OG1 3.15Å
210R92.1Very high90.9Very high62 Ų6247.3 Ų47.323%0.23426%0.256CS..Hα-helixtrans-62.2-41.6177.6-171.9-177.2-64.8-160.7-3.8112.4K206 W207 E208 R214 E365 F368K206-R210 PolarHBondContact O-N 3.49Å; W207-R210 PolarHBondContact O-N 3.47Å; E208-R210 VanDerWaalsContact C-N 3.33Å; E208-R210 PolarHBondContact O-N 3.48Å; R210-R214 WeakPolarHBondContact O-CB 3.42Å; R210-R214 PolarHBondContact O-N 3.44Å; R210-E365 PolarHBondContact NE-O 3.26Å; R210-E365 PolarHBondContact NH2-O 3.27Å; R210-F368 PolarHBondContact NH1-O 3.37Å; R210-F368 PolarHBondContact NH2-O 2.85Å
211Q90.6Very high90.3Very high70 Ų7045.5 Ų45.533%0.32724%0.239SC..Hα-helixtrans-69.6-40177.2-63.8-53-28.400112.7W207 E208 H209 R214 T215W207-Q211 HydrophobicContact CD2-CG 3.95Å; W207-Q211 HydrophobicContact CE3-CG 3.99Å; W207-Q211 HydrophobicContact CH2-CG 3.81Å; W207-Q211 HydrophobicContact CZ2-CG 3.75Å; W207-Q211 HydrophobicContact CZ3-CG 3.92Å; W207-Q211 WeakPolarHBondContact O-CG 3.22Å; W207-Q211 PolarHBondContact O-N 2.95Å; E208-Q211 PolarHBondContact O-N 2.63Å; H209-Q211 PolarHBondContact O-N 2.84Å; Q211-R214 PolarHBondContact O-N 3.15Å; Q211-T215 WeakPolarHBondContact O-CB 3.36Å; Q211-T215 PolarHBondContact O-N 3.49Å; Q211-T215 PolarHBondContact O-OG1 3Å
212A89.4Confident89.6Confident34 Ų3445.4 Ų45.428%0.28125%0.246SC..Hα-helixtrans-61.5-44.9175.400000111.1F139 E208 H209 T215 F216F139-A212 HydrophobicContact CZ-CB 3.93Å; E208-A212 WeakPolarHBondContact O-CB 3.29Å; E208-A212 PolarHBondContact O-N 3.45Å; H209-A212 PolarHBondContact O-N 3.01Å; A212-T215 PolarHBondContact O-N 3.23Å; A212-F216 WeakPolarHBondContact O-CB 3.31Å; A212-F216 PolarHBondContact O-N 2.93Å
213L88.4Confident88.7Confident1 Ų149 Ų491%0.00526%0.262CS..Hα-helixtrans-62.3-47.1175-160.4106.6000112.3F132 F139 H209 T215 F216 V217 L366F132-L213 HydrophobicContact CD2-CD1 4.08Å; F132-L213 HydrophobicContact CD2-CG 4.49Å; F132-L213 HydrophobicContact CE2-CD1 3.53Å; F132-L213 HydrophobicContact CE2-CD2 3.94Å; F132-L213 HydrophobicContact CE2-CG 3.9Å; F132-L213 HydrophobicContact CZ-CD1 4.36Å; F139-L213 HydrophobicContact CD2-CD1 4.26Å; F139-L213 HydrophobicContact CE2-CB 4.24Å; F139-L213 HydrophobicContact CE2-CD1 3.83Å; H209-L213 WeakPolarHBondContact O-CB 3.31Å; H209-L213 PolarHBondContact O-N 3.41Å; L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 2.87Å; L213-F216 WeakPolarHBondContact O-CB 3.47Å; L213-F216 PolarHBondContact O-N 3.32Å; L213-V217 WeakPolarHBondContact O-CG2 3.27Å; L213-V217 PolarHBondContact O-N 3.03Å; L213-L366 HydrophobicContact CB-CD2 4.22Å; L213-L366 HydrophobicContact CD1-CD1 3.64Å; L213-L366 HydrophobicContact CD1-CD2 3.95Å; L213-L366 HydrophobicContact CD1-CG 4.36Å; L213-L366 HydrophobicContact CD2-CB 3.93Å; L213-L366 HydrophobicContact CD2-CD1 4.07Å; L213-L366 HydrophobicContact CD2-CD2 4.02Å; L213-L366 HydrophobicContact CD2-CG 4.22Å; L213-L366 HydrophobicContact CG-CD1 4.43Å; L213-L366 HydrophobicContact CG-CD2 4.28Å
214R90.2Very high87.9Confident50 Ų5048.9 Ų48.919%0.18926%0.257CS..Hα-helixtrans-59.3-41.1177.4-170.9175.6-173.176.510111.1D112 F116 R210 Q211 M218D112-R214 PolarHBondContact O-NH2 3.4Å; D112-R214 IonicContact OD1-NH2 3.27Å; D112-R214 PolarHBondContact OD1-NH2 3.42Å; D112-R214 IonicContact OD2-CZ 3.73Å; D112-R214 IonicContact OD2-NE 2.72Å; D112-R214 IonicContact OD2-NH2 2.72Å; D112-R214 PolarHBondContact OD2-NH2 3.41Å; F116-R214 HydrophobicContact CD2-CG 4.03Å; F116-R214 HydrophobicContact CE2-CB 4.34Å; F116-R214 HydrophobicContact CE2-CG 4.09Å; R210-R214 WeakPolarHBondContact O-CB 3.42Å; R210-R214 PolarHBondContact O-N 3.44Å; Q211-R214 PolarHBondContact O-N 3.15Å; R214-M218 HydrophobicContact CG-CG 4.46Å; R214-M218 VanDerWaalsContact O-CB 3.31Å; R214-M218 WeakPolarHBondContact O-CB 3.32Å; R214-M218 WeakPolarHBondContact O-CG 3.43Å; R214-M218 PolarHBondContact O-N 2.75Å
215T89.3Confident86.9Confident93 Ų9351.6 Ų51.657%0.57126%0.263SS*.Hα-helixtrans-66.9-43177.3-58.60000111.4Q211 A212 L213 M218 S219Q211-T215 WeakPolarHBondContact O-CB 3.36Å; Q211-T215 PolarHBondContact O-N 3.49Å; Q211-T215 PolarHBondContact O-OG1 3Å; A212-T215 PolarHBondContact O-N 3.23Å; L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 2.87Å; T215-M218 PolarHBondContact O-N 3.05Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 2.87Å; T215-S219 PolarHBondContact O-OG 2.91Å
216F86.8Confident85.9Confident26 Ų2654.7 Ų54.711%0.11429%0.286CS..Hα-helixtrans-57.9-54.6175.6179-102000111.7M123 D131 F132 L135 A212 L213 M218 S219 Y220M123-F216 HydrophobicContact SD-CD1 3.8Å; M123-F216 HydrophobicContact SD-CE1 3.58Å; M123-F216 VanDerWaalsContact SD-CE1 3.58Å; D131-F216 HydrophobicContact CB-CZ 4.14Å; F132-F216 HydrophobicContact CB-CE1 4.23Å; L135-F216 HydrophobicContact CD2-CG 4.5Å; A212-F216 WeakPolarHBondContact O-CB 3.31Å; A212-F216 PolarHBondContact O-N 2.93Å; L213-F216 WeakPolarHBondContact O-CB 3.47Å; L213-F216 PolarHBondContact O-N 3.32Å; F216-M218 VanDerWaalsContact C-N 3.35Å; F216-M218 PolarHBondContact O-N 2.75Å; F216-S219 PolarHBondContact O-N 2.86Å; F216-S219 PolarHBondContact O-OG 2.71Å; F216-Y220 WeakPolarHBondContact O-CB 3.02Å; F216-Y220 PolarHBondContact O-N 3.11Å
217V89.2Confident84.4Confident0 Ų056.7 Ų56.70%030%0.297CS..Hα-helixtrans-57.6-44.7178.6173.80000112F116 A119 F120 M123 L213 Y220 K221F116-V217 HydrophobicContact CD2-CB 4.32Å; F116-V217 HydrophobicContact CD2-CG1 3.94Å; F116-V217 HydrophobicContact CE2-CB 3.78Å; F116-V217 HydrophobicContact CE2-CG1 3.75Å; F116-V217 HydrophobicContact CE2-CG2 3.95Å; F116-V217 HydrophobicContact CZ-CG2 4.48Å; A119-V217 HydrophobicContact CB-CG1 3.6Å; F120-V217 HydrophobicContact CB-CG1 4.12Å; F120-V217 HydrophobicContact CD2-CG2 4.18Å; M123-V217 HydrophobicContact CE-CG2 3.8Å; M123-V217 HydrophobicContact SD-CB 4.34Å; M123-V217 HydrophobicContact SD-CG2 3.72Å; L213-V217 WeakPolarHBondContact O-CG2 3.27Å; L213-V217 PolarHBondContact O-N 3.03Å; V217-Y220 PolarHBondContact O-N 3.17Å; V217-K221 PolarHBondContact O-N 2.93Å; V217-K221 VanDerWaalsContact O-N 3.15Å
218M88.1Confident82.5Confident62 Ų6253.6 Ų53.631%0.30530%0.298SS..Hα-helixtrans-74.4-33.9-177.5-67.7-65.2-75.700112.6I115 F116 A119 R214 T215 F216 Y220 K221 G222I115-M218 HydrophobicContact CG2-CE 3.87Å; I115-M218 HydrophobicContact CG2-SD 4.48Å; F116-M218 HydrophobicContact CD2-CG 4.43Å; F116-M218 HydrophobicContact CD2-SD 4.49Å; A119-M218 HydrophobicContact CB-SD 4.02Å; R214-M218 HydrophobicContact CG-CG 4.46Å; R214-M218 VanDerWaalsContact O-CB 3.31Å; R214-M218 WeakPolarHBondContact O-CB 3.32Å; R214-M218 WeakPolarHBondContact O-CG 3.43Å; R214-M218 PolarHBondContact O-N 2.75Å; T215-M218 PolarHBondContact O-N 3.05Å; F216-M218 VanDerWaalsContact C-N 3.35Å; F216-M218 PolarHBondContact O-N 2.75Å; M218-Y220 VanDerWaalsContact C-N 3.35Å; M218-K221 PolarHBondContact O-N 3.5Å; M218-G222 PolarHBondContact O-N 2.82Å
219S86.3Confident80.7Confident46 Ų4655.6 Ų55.632%0.32232%0.316SS..Hα-helixtrans-66.6-37.3173.472.50000112.1T215 F216 G222 H223T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 2.87Å; T215-S219 PolarHBondContact O-OG 2.91Å; F216-S219 PolarHBondContact O-N 2.86Å; F216-S219 PolarHBondContact O-OG 2.71Å; S219-G222 PolarHBondContact O-N 3.07Å; S219-H223 PolarHBondContact O-N 2.79Å
220Y83.8Confident78.5Confident19 Ų1962.8 Ų62.88%0.07536%0.355CS..Hα-helixtrans-62.5-48174.6-177.3-104.3000111.6M123 S126 A128 F216 V217 M218 G222 H223 I224M123-Y220 HydrophobicContact CB-CD1 3.64Å; M123-Y220 HydrophobicContact CB-CE1 3.84Å; M123-Y220 HydrophobicContact CG-CD1 3.67Å; M123-Y220 HydrophobicContact CG-CE1 3.95Å; M123-Y220 HydrophobicContact CG-CG 4.2Å; S126-Y220 WeakPolarHBondContact CB-OH 3.3Å; S126-Y220 PolarHBondContact OG-OH 2.88Å; A128-Y220 HydrophobicContact CB-CD2 4.15Å; A128-Y220 HydrophobicContact CB-CE2 3.68Å; F216-Y220 WeakPolarHBondContact O-CB 3.02Å; F216-Y220 PolarHBondContact O-N 3.11Å; V217-Y220 PolarHBondContact O-N 3.17Å; M218-Y220 VanDerWaalsContact C-N 3.35Å; Y220-G222 PolarHBondContact O-N 2.94Å; Y220-H223 PolarHBondContact O-N 2.8Å; Y220-I224 HydrophobicContact CD1-CD1 3.72Å; Y220-I224 HydrophobicContact CE1-CD1 3.17Å; Y220-I224 HydrophobicContact CE1-CG1 4.12Å; Y220-I224 HydrophobicContact CE2-CD1 4.44Å; Y220-I224 PolarHBondContact O-N 3.25Å
221K82.1Confident76.3Confident37 Ų3762.3 Ų62.316%0.16136%0.362CS..Hα-helixtrans-60.7-43.5173.4176167176.9168.90112.9I115 A119 V217 M218 H223 I224 N225I115-K221 PolarHBondContact O-NZ 3Å; A119-K221 HydrophobicContact CB-CB 4.01Å; A119-K221 HydrophobicContact CB-CD 3.38Å; A119-K221 HydrophobicContact CB-CG 4.35Å; V217-K221 PolarHBondContact O-N 2.93Å; V217-K221 VanDerWaalsContact O-N 3.15Å; M218-K221 PolarHBondContact O-N 3.5Å; K221-H223 PolarHBondContact O-N 3.01Å; K221-I224 PolarHBondContact O-N 3.41Å; K221-N225 VanDerWaalsContact O-CG 3.27Å; K221-N225 PolarHBondContact O-N 2.89Å; K221-N225 VanDerWaalsContact O-N 3.1Å
222G80Confident74.3Confident44 Ų4465.3 Ų65.345%0.45438%0.38SS..Hα-helixtrans-58-38.6176.700000112.4M218 S219 Y220 S226M218-G222 PolarHBondContact O-N 2.82Å; S219-G222 PolarHBondContact O-N 3.07Å; Y220-G222 PolarHBondContact O-N 2.94Å; G222-S226 PolarHBondContact O-N 3.45Å
223H75.5Confident72.4Confident81 Ų8169.9 Ų69.938%0.37540%0.395SS..Hα-helixtrans-76.7-41.1176.5-10097.7000114.4S219 Y220 K221 N225 S226 L227 F240S219-H223 PolarHBondContact O-N 2.79Å; Y220-H223 PolarHBondContact O-N 2.8Å; K221-H223 PolarHBondContact O-N 3.01Å; H223-N225 PolarHBondContact O-N 3.15Å; H223-S226 WeakPolarHBondContact CA-OG 3.41Å; H223-S226 WeakPolarHBondContact O-CA 2.99Å; H223-S226 PolarHBondContact O-N 2.81Å; H223-S226 PolarHBondContact O-OG 3.15Å; H223-L227 WeakPolarHBondContact O-CD1 3.38Å; H223-L227 PolarHBondContact O-N 2.82Å; H223-F240 HydrophobicContact CB-CE1 3.34Å; H223-F240 HydrophobicContact CB-CZ 3.49Å; H223-F240 VanDerWaalsContact CB-CZ 3.49Å; H223-F240 AromaticContact CD2-CE1 3.45Å; H223-F240 VanDerWaalsContact CD2-CE1 3.45Å; H223-F240 WeakPolarHBondContact CD2-CE1 3.5Å; H223-F240 AromaticContact CD2-CZ 3.66Å; H223-F240 AromaticContact CG-CE1 3.31Å; H223-F240 AromaticContact CG-CZ 3.75Å; H223-F240 AromaticContact ND1-CE1 3.72Å; H223-F240 AromaticContact NE2-CE1 3.94Å
224I75.7Confident70.4Confident53 Ų5374.6 Ų74.627%0.27243%0.428SS..Hα-helixtrans-52.9-45.3172.5-72.8167.9000109.8Y220 K221 S226 L227Y220-I224 HydrophobicContact CD1-CD1 3.72Å; Y220-I224 HydrophobicContact CE1-CD1 3.17Å; Y220-I224 HydrophobicContact CE1-CG1 4.12Å; Y220-I224 HydrophobicContact CE2-CD1 4.44Å; Y220-I224 PolarHBondContact O-N 3.25Å; K221-I224 PolarHBondContact O-N 3.41Å; I224-S226 PolarHBondContact O-N 2.83Å; I224-L227 PolarHBondContact O-N 3.37Å; I224-L227 VanDerWaalsContact O-N 3.16Å
225N73.7Confident68.3Low116 Ų11676 Ų7662%0.6245%0.446SS*.THydrogen-bonded Turntrans-66.7-15.6179.3-68.5-5.8000113.9K221 H223K221-N225 VanDerWaalsContact O-CG 3.27Å; K221-N225 PolarHBondContact O-N 2.89Å; K221-N225 VanDerWaalsContact O-N 3.1Å; H223-N225 PolarHBondContact O-N 3.15Å
226S70.9Confident66.2Low82 Ų8272.5 Ų72.557%0.57342%0.423SS*.THydrogen-bonded Turntrans-94.3-11.8176.3740000113.8G222 H223 I224G222-S226 PolarHBondContact O-N 3.45Å; H223-S226 WeakPolarHBondContact CA-OG 3.41Å; H223-S226 WeakPolarHBondContact O-CA 2.99Å; H223-S226 PolarHBondContact O-N 2.81Å; H223-S226 PolarHBondContact O-OG 3.15Å; I224-S226 PolarHBondContact O-N 2.83Å
227L62.1Low64.3Low51 Ų5172.8 Ų72.827%0.26743%0.427SS..SBendtrans-81.8140.4179.1-96.484.1000112.2H223 I224 L236H223-L227 WeakPolarHBondContact O-CD1 3.38Å; H223-L227 PolarHBondContact O-N 2.82Å; I224-L227 PolarHBondContact O-N 3.37Å; I224-L227 VanDerWaalsContact O-N 3.16Å; L227-L236 HydrophobicContact CD2-CD1 4.33Å; L227-L236 HydrophobicContact CD2-CD2 3.41Å; L227-L236 VanDerWaalsContact CD2-CD2 3.41Å
228P53.7Low62.2Low100 Ų10083.1 Ų83.165%0.64947%0.466SS*.  trans-61.3136.7166.3-18.331.3000110.6N230 S231P228-N230 PolarHBondContact O-N 2.77Å; P228-S231 PolarHBondContact O-OG 3.38Å
229T54.1Low60.1Low135 Ų13583.7 Ų83.783%0.82847%0.473SS*.THydrogen-bonded Turntrans-64.16.8-172.557.10000116.3
230N47.5Very low58.1Low156 Ų15682.8 Ų82.883%0.83446%0.464SS*.THydrogen-bonded Turntrans-127.823.2-169.4-70.6-8000113.3P228P228-N230 PolarHBondContact O-N 2.77Å
231S46Very low56.4Low53 Ų5385.5 Ų85.537%0.37148%0.479SS..SBendtrans-119.1135.1-179.856.50000112.5P228 H233P228-S231 PolarHBondContact O-OG 3.38Å; S231-H233 PolarHBondContact O-N 2.8Å
232D46.6Very low54.8Low133 Ų13391.7 Ų91.771%0.71151%0.506SS*.  trans-57.4116.6-172.4-70.5-48.9000113.1S234 S235D232-S234 PolarHBondContact O-N 2.97Å; D232-S235 PolarHBondContact O-N 2.81Å; D232-S235 PolarHBondContact O-OG 3.02Å
233H51Low53.1Low130 Ų13095.3 Ų95.360%0.60252%0.515SS*.THydrogen-bonded Turntrans-62.1-10.3-177.3-63.5-68.1000114.9S231 L236S231-H233 PolarHBondContact O-N 2.8Å; H233-L236 HydrophobicContact CB-CD1 4.17Å; H233-L236 WeakPolarHBondContact O-CD1 3.49Å; H233-L236 WeakPolarHBondContact O-CG 3.3Å
234S46.9Very low51.4Low100 Ų10093.3 Ų93.370%0.69951%0.51SS*.THydrogen-bonded Turntrans-80.4-20.5-174.657.90000114.8D232D232-S234 PolarHBondContact O-N 2.97Å
235S45.3Very low49.5Very low80 Ų8095.4 Ų95.456%0.55953%0.53SS*.SBendtrans-83.4-15.3179.864.40000113.9D232D232-S235 PolarHBondContact O-N 2.81Å; D232-S235 PolarHBondContact O-OG 3.02Å
236L45.5Very low48.2Very low19 Ų1992.4 Ų92.410%0.09952%0.517CS..THydrogen-bonded Turntrans-62.9-50-162.5-65-177.3000114.1L227 H233 R238 T239 F240L227-L236 HydrophobicContact CD2-CD1 4.33Å; L227-L236 HydrophobicContact CD2-CD2 3.41Å; L227-L236 VanDerWaalsContact CD2-CD2 3.41Å; H233-L236 HydrophobicContact CB-CD1 4.17Å; H233-L236 WeakPolarHBondContact O-CD1 3.49Å; H233-L236 WeakPolarHBondContact O-CG 3.3Å; L236-R238 PolarHBondContact O-N 3.24Å; L236-R238 VanDerWaalsContact O-N 3.07Å; L236-T239 PolarHBondContact O-N 2.84Å; L236-T239 VanDerWaalsContact O-N 3.07Å; L236-T239 PolarHBondContact O-OG1 3.43Å; L236-F240 HydrophobicContact CB-CD2 4.07Å; L236-F240 HydrophobicContact CB-CE2 3.87Å; L236-F240 HydrophobicContact CD2-CE2 4.39Å; L236-F240 WeakPolarHBondContact O-CD2 3.45Å; L236-F240 PolarHBondContact O-N 3.34Å
237T45.8Very low47Very low32 Ų3297.5 Ų97.520%0.19653%0.529CS..Hα-helixtrans-56-35.5-165.8-30.50000113.7D131 T239D131-T237 WeakPolarHBondContact OD2-CG2 3.42Å; T237-T239 PolarHBondContact O-N 2.79Å
238R44.9Very low46.3Very low216 Ų21698 Ų9882%0.81554%0.535SS*.Hα-helixtrans-77.9-17.1-176.7-102.8-176.9-75.2-161.6-4.8115L236L236-R238 PolarHBondContact O-N 3.24Å; L236-R238 VanDerWaalsContact O-N 3.07Å
239T44.2Very low45.9Very low74 Ų7494.7 Ų94.745%0.45451%0.511SS..Hα-helixtrans-88.3-40.4172.2-10000110.5L236 T237 L241 K242 D243L236-T239 PolarHBondContact O-N 2.84Å; L236-T239 VanDerWaalsContact O-N 3.07Å; L236-T239 PolarHBondContact O-OG1 3.43Å; T237-T239 PolarHBondContact O-N 2.79Å; T239-L241 PolarHBondContact O-N 2.87Å; T239-K242 PolarHBondContact O-N 2.97Å; T239-D243 PolarHBondContact O-N 3.39Å
240F44.7Very low45.5Very low27 Ų2791.9 Ų91.912%0.11849%0.491CS..Hα-helixtrans-52.3-47.8178.4-84.9-68.6000114.1H223 L236 K242 S244H223-F240 HydrophobicContact CB-CE1 3.34Å; H223-F240 HydrophobicContact CB-CZ 3.49Å; H223-F240 VanDerWaalsContact CB-CZ 3.49Å; H223-F240 AromaticContact CD2-CE1 3.45Å; H223-F240 VanDerWaalsContact CD2-CE1 3.45Å; H223-F240 WeakPolarHBondContact CD2-CE1 3.5Å; H223-F240 AromaticContact CD2-CZ 3.66Å; H223-F240 AromaticContact CG-CE1 3.31Å; H223-F240 AromaticContact CG-CZ 3.75Å; H223-F240 AromaticContact ND1-CE1 3.72Å; H223-F240 AromaticContact NE2-CE1 3.94Å; L236-F240 HydrophobicContact CB-CD2 4.07Å; L236-F240 HydrophobicContact CB-CE2 3.87Å; L236-F240 HydrophobicContact CD2-CE2 4.39Å; L236-F240 WeakPolarHBondContact O-CD2 3.45Å; L236-F240 PolarHBondContact O-N 3.34Å; F240-K242 VanDerWaalsContact C-N 3.26Å; F240-K242 PolarHBondContact O-N 3.15Å; F240-S244 WeakPolarHBondContact O-CB 3.47Å; F240-S244 PolarHBondContact O-N 3.17Å; F240-S244 PolarHBondContact O-OG 3.13Å
241L48.4Very low45.5Very low76 Ų7686.9 Ų86.940%0.39847%0.468SS..Hα-helixtrans-71.6-16.6179.2-66.2174.4000114T239T239-L241 PolarHBondContact O-N 2.87Å
242K47.5Very low45.5Very low168 Ų16885.3 Ų85.373%0.7346%0.456SS*.Hα-helixtrans-87.3-42.4177-74.5-176.6176.1-176.20112.3T239 F240T239-K242 PolarHBondContact O-N 2.97Å; F240-K242 VanDerWaalsContact C-N 3.26Å; F240-K242 PolarHBondContact O-N 3.15Å
243D44.5Very low45.5Very low119 Ų11982.2 Ų82.264%0.63644%0.439SS*.Hα-helixtrans-89.1-22.5-176-64-27.4000112.7T239 S245T239-D243 PolarHBondContact O-N 3.39Å; D243-S245 PolarHBondContact O-N 2.97Å
244S41.4Very low45.1Very low40 Ų4083.4 Ų83.428%0.2844%0.442SS..  trans-75.671.2172.2-57.60000111.3F240 S246F240-S244 WeakPolarHBondContact O-CB 3.47Å; F240-S244 PolarHBondContact O-N 3.17Å; F240-S244 PolarHBondContact O-OG 3.13Å; S244-S246 PolarHBondContact O-N 3.07Å
245S35.9Very low45Very low97 Ų9784.8 Ų84.868%0.67844%0.436SS*.  trans-7347.9-178.871.50000113.7D243 K247D243-S245 PolarHBondContact O-N 2.97Å; S245-K247 PolarHBondContact O-N 3.47Å; S245-K247 VanDerWaalsContact O-N 3.12Å
246S45.5Very low44.8Very low52 Ų5283.2 Ų83.236%0.36442%0.424SS..  trans-69.1108.8164.864.10000107.8S244 T248 L249S244-S246 PolarHBondContact O-N 3.07Å; S246-T248 PolarHBondContact O-N 3.46Å; S246-L249 PolarHBondContact O-N 2.78Å; S246-L249 VanDerWaalsContact O-N 3.11Å; S246-L249 VanDerWaalsContact OG-CD1 3.31Å; S246-L249 WeakPolarHBondContact OG-CD1 3.46Å; S246-L249 VanDerWaalsContact OG-CG 3.3Å; S246-L249 WeakPolarHBondContact OG-CG 3.31Å
247K45.3Very low44.5Very low189 Ų18987.2 Ų87.282%0.82245%0.454SS*.Hα-helixtrans-55.4-27-177.1-65175.7-179174.60111.8S245 S251S245-K247 PolarHBondContact O-N 3.47Å; S245-K247 VanDerWaalsContact O-N 3.12Å; K247-S251 VanDerWaalsContact O-CB 3.28Å; K247-S251 WeakPolarHBondContact O-CB 3.45Å; K247-S251 PolarHBondContact O-N 2.82Å; K247-S251 VanDerWaalsContact O-N 3.09Å
248T48.2Very low44.1Very low62 Ų6291.2 Ų91.238%0.3848%0.479SS..Hα-helixtrans-62.4-50.6175.6-330000112.8S246 N250 S251 L252S246-T248 PolarHBondContact O-N 3.46Å; T248-N250 PolarHBondContact O-N 3.3Å; T248-S251 WeakPolarHBondContact O-CB 3.37Å; T248-S251 PolarHBondContact O-N 2.85Å; T248-S251 VanDerWaalsContact O-N 3.14Å; T248-L252 HydrophobicContact CG2-CD1 4.2Å; T248-L252 WeakPolarHBondContact O-CG 3.28Å; T248-L252 PolarHBondContact O-N 3.47Å
249L45.8Very low43.8Very low30 Ų3085.1 Ų85.116%0.15746%0.461CS..Hα-helixtrans-62.3-47.5-178.5-73.8179.8000111.8L135 S246 S251 L252 L253L135-L249 HydrophobicContact CD1-CD2 3.31Å; L135-L249 HydrophobicContact CD2-CD2 4.04Å; L135-L249 HydrophobicContact CG-CD2 4.28Å; S246-L249 PolarHBondContact O-N 2.78Å; S246-L249 VanDerWaalsContact O-N 3.11Å; S246-L249 VanDerWaalsContact OG-CD1 3.31Å; S246-L249 WeakPolarHBondContact OG-CD1 3.46Å; S246-L249 VanDerWaalsContact OG-CG 3.3Å; S246-L249 WeakPolarHBondContact OG-CG 3.31Å; L249-S251 PolarHBondContact O-N 2.9Å; L249-L252 PolarHBondContact O-N 2.76Å; L249-L253 WeakPolarHBondContact O-CB 3.39Å; L249-L253 VanDerWaalsContact O-CG 3.28Å; L249-L253 WeakPolarHBondContact O-CG 3.23Å; L249-L253 PolarHBondContact O-N 2.97Å
250N44.9Very low43.2Very low76 Ų7688.6 Ų88.641%0.40648%0.477SS..Hα-helixtrans-68.2-21.3177.6-80.4-56.5000113.4T248 K254T248-N250 PolarHBondContact O-N 3.3Å; N250-K254 VanDerWaalsContact O-CB 3.31Å; N250-K254 WeakPolarHBondContact O-CB 3.41Å; N250-K254 WeakPolarHBondContact O-CD 3.39Å; N250-K254 WeakPolarHBondContact O-CG 3.13Å; N250-K254 PolarHBondContact O-N 2.73Å
251S48.3Very low42.5Very low51 Ų5192.9 Ų92.936%0.35750%0.501SS..Hα-helixtrans-73.4-48170.11680000110.9K247 T248 L249 K254 K255K247-S251 VanDerWaalsContact O-CB 3.28Å; K247-S251 WeakPolarHBondContact O-CB 3.45Å; K247-S251 PolarHBondContact O-N 2.82Å; K247-S251 VanDerWaalsContact O-N 3.09Å; T248-S251 WeakPolarHBondContact O-CB 3.37Å; T248-S251 PolarHBondContact O-N 2.85Å; T248-S251 VanDerWaalsContact O-N 3.14Å; L249-S251 PolarHBondContact O-N 2.9Å; S251-K254 PolarHBondContact O-N 3.24Å; S251-K255 WeakPolarHBondContact O-CG 3.44Å; S251-K255 PolarHBondContact O-N 3.24Å
252L45.9Very low41.8Very low20 Ų2097.3 Ų97.311%0.10552%0.52CS..Hα-helixtrans-62.9-48.3179.3-67.3166.5000111.6F139 E142 T248 L249 K254 K255 S256F139-L252 HydrophobicContact CE1-CD1 4.27Å; E142-L252 WeakPolarHBondContact OE2-CD2 3.37Å; T248-L252 HydrophobicContact CG2-CD1 4.2Å; T248-L252 WeakPolarHBondContact O-CG 3.28Å; T248-L252 PolarHBondContact O-N 3.47Å; L249-L252 PolarHBondContact O-N 2.76Å; L252-K254 PolarHBondContact O-N 3.17Å; L252-K255 PolarHBondContact O-N 3.16Å; L252-K255 VanDerWaalsContact O-N 3.15Å; L252-S256 PolarHBondContact O-N 2.71Å
253L45.1Very low41Very low68 Ų6892.7 Ų92.736%0.35651%0.513SS..Hα-helixtrans-63.7-21.1176.6-68.2166.4000113.9H134 L138 L249 S256H134-L253 VanDerWaalsContact CE1-CD2 3.4Å; H134-L253 WeakPolarHBondContact CE1-CD2 3.49Å; L138-L253 HydrophobicContact CD1-CD2 3.68Å; L138-L253 HydrophobicContact CD1-CG 4.28Å; L249-L253 WeakPolarHBondContact O-CB 3.39Å; L249-L253 VanDerWaalsContact O-CG 3.28Å; L249-L253 WeakPolarHBondContact O-CG 3.23Å; L249-L253 PolarHBondContact O-N 2.97Å; L253-S256 PolarHBondContact O-OG 3.16Å
254K43.5Very low40.2Very low155 Ų15593.7 Ų93.767%0.67452%0.517SS*.Hα-helixtrans-93.9-18.2175.1-76.2179.4-178.7-177.40114N250 S251 L252 S257N250-K254 VanDerWaalsContact O-CB 3.31Å; N250-K254 WeakPolarHBondContact O-CB 3.41Å; N250-K254 WeakPolarHBondContact O-CD 3.39Å; N250-K254 WeakPolarHBondContact O-CG 3.13Å; N250-K254 PolarHBondContact O-N 2.73Å; S251-K254 PolarHBondContact O-N 3.24Å; L252-K254 PolarHBondContact O-N 3.17Å; K254-S257 PolarHBondContact O-OG 2.88Å; K254-S257 VanDerWaalsContact O-OG 3.09Å
255K45Very low39.7Very low130 Ų13094.2 Ų94.257%0.56552%0.521SS*.Hα-helixtrans-77.4-36.1175-78177.3179.9-1800111.8S251 L252 S257 T258S251-K255 WeakPolarHBondContact O-CG 3.44Å; S251-K255 PolarHBondContact O-N 3.24Å; L252-K255 PolarHBondContact O-N 3.16Å; L252-K255 VanDerWaalsContact O-N 3.15Å; K255-S257 PolarHBondContact O-N 3.16Å; K255-T258 PolarHBondContact O-N 3.43Å; K255-T258 PolarHBondContact O-OG1 2.89Å
256S41.1Very low39.5Very low46 Ų4697.4 Ų97.432%0.32252%0.523SS..G310 helixtrans-61.5-25-177.557.20000114.3L252 L253 T258L252-S256 PolarHBondContact O-N 2.71Å; L253-S256 PolarHBondContact O-OG 3.16Å; S256-T258 PolarHBondContact O-N 3.11Å; S256-T258 VanDerWaalsContact O-N 3.12Å
257S37.9Very low38.9Very low103 Ų103102.2 Ų102.272%0.7253%0.533SS*.G310 helixtrans-73.85.3179.856.90000115.5K254 K255K254-S257 PolarHBondContact O-OG 2.88Å; K254-S257 VanDerWaalsContact O-OG 3.09Å; K255-S257 PolarHBondContact O-N 3.16Å
258T37.9Very low38.1Very low116 Ų11697.5 Ų97.571%0.71252%0.52SS*.G310 helixtrans-110.13.4-172-20.90000114.2K255 S256K255-T258 PolarHBondContact O-N 3.43Å; K255-T258 PolarHBondContact O-OG1 2.89Å; S256-T258 PolarHBondContact O-N 3.11Å; S256-T258 VanDerWaalsContact O-N 3.12Å
259I39.5Very low37.7Very low89 Ų89100.7 Ų100.746%0.45654%0.535SS..  trans-92.1140-173.4-56178.9000110E311I259-E311 HydrophobicContact CG2-CB 3.62Å; I259-E311 HydrophobicContact CG2-CG 3.7Å; I259-E311 VanDerWaalsContact CG2-OE1 3.22Å; I259-E311 WeakPolarHBondContact CG2-OE1 3.48Å
260N30.5Very low37.8Very low146 Ų146107.6 Ų107.678%0.78157%0.566SS**  trans-105122.2-158.7-148.35.6000111.8Q262N260-Q262 PolarHBondContact O-N 3.36Å
261N30Very low38.4Very low117 Ų117112 Ų11263%0.62659%0.587SS**  trans-78.791.4-162.8-64-42.2000115N312N261-N312 VanDerWaalsContact CA-OD1 3.22Å; N261-N312 WeakPolarHBondContact CA-OD1 3.48Å; N261-N312 WeakPolarHBondContact CB-OD1 3.38Å
262Q33.4Very low39.1Very low169 Ų169110.8 Ų110.879%0.7958%0.579SS**  trans-146.3147.1159.4-62.9-169.428.400109.9N260 N312N260-Q262 PolarHBondContact O-N 3.36Å; Q262-N312 PolarHBondContact N-OD1 2.89Å; Q262-N312 PolarHBondContact O-ND2 3.24Å
263A31Very low40.3Very low71 Ų71113.2 Ų113.259%0.58759%0.591SS**  cis-129.6178.3-17.900000110.2N312A263-N312 PolarHBondContact N-ND2 3.06Å; A263-N312 VanDerWaalsContact N-ND2 3.11Å; A263-N312 PolarHBondContact O-ND2 3.18Å
264I27.9Very low42Very low140 Ų140112.5 Ų112.572%0.71859%0.592SS**  trans-98.8122.9-171.6-60.8165.5000111
265S30.5Very low44Very low52 Ų52108.2 Ų108.236%0.36457%0.574SS.*  trans-120.2120.3156.479.60000109.3Q310S265-Q310 PolarHBondContact OG-NE2 3.11Å
266K31.5Very low46Very low164 Ų164105.8 Ų105.871%0.71357%0.571SS**  trans-58149.2-179.7-67.8178175.3179.90111.4T268K266-T268 HydrophobicContact CB-CG2 4.24Å; K266-T268 PolarHBondContact O-N 3.03Å
267R34.6Very low48.2Very low152 Ų152105.4 Ų105.457%0.57456%0.563SS**  trans-61.390.8154.8-86.5179.2165.2-177.1-10.3107.2D318 E322R267-D318 IonicContact NH1-OD2 2.66Å; R267-D318 PolarHBondContact NH1-OD2 2.81Å; R267-E322 IonicContact NH2-OE1 2.81Å
268T27.6Very low50.5Low90 Ų90104.6 Ų104.655%0.55255%0.554SS**  trans-114.9158.5157.257.20000108.7K266K266-T268 HydrophobicContact CB-CG2 4.24Å; K266-T268 PolarHBondContact O-N 3.03Å
269D39.1Very low52.7Low130 Ų13099.7 Ų99.770%0.69552%0.524SS*.SBendtrans85.1109163.8-43.8-48.6000116
270H49.2Very low54.7Low174 Ų17499 Ų9981%0.80652%0.519SS*.  trans79.370.4170.6-43.9-63.3000117.7P272H270-P272 WeakPolarHBondContact O-CD 3.3Å
271I56.3Low57.2Low168 Ų16892.3 Ų92.386%0.86248%0.483SS*.  trans-59.3119.6142.3-61.4172.6000106.1L273I271-L273 PolarHBondContact O-N 3.19Å
272P64.3Low59.2Low27 Ų2787.3 Ų87.318%0.17546%0.458CS..  trans-66.5133-176.726.6-33.7000109.9H270 S274 I294 R295 L296H270-P272 WeakPolarHBondContact O-CD 3.3Å; P272-S274 PolarHBondContact O-N 2.66Å; P272-I294 HydrophobicContact CB-CG2 3.78Å; P272-I294 HydrophobicContact CG-CG2 4.15Å; P272-R295 WeakPolarHBondContact CB-O 3.43Å; P272-L296 HydrophobicContact CB-CB 4.44Å; P272-L296 HydrophobicContact CB-CD1 4.4Å
273L71.2Confident60.9Low71 Ų7190.7 Ų90.737%0.37246%0.464SS..  trans-62.7111.3178.6179.859.5000108.8I271 R295 L545I271-L273 PolarHBondContact O-N 3.19Å; L273-R295 HydrophobicContact CB-CB 4.39Å; L273-R295 PolarHBondContact O-N 2.81Å; L273-L545 HydrophobicContact CD2-CD2 3.62Å; L273-L545 HydrophobicContact CG-CD2 4.13Å
274S81.1Confident62.7Low52 Ų5296.4 Ų96.436%0.36448%0.479SS..EExtended strand (participates in β ladder)trans-128.1131.9-170.8-177.50000110.8P272 R292 L293P272-S274 PolarHBondContact O-N 2.66Å; S274-R292 WeakPolarHBondContact OG-CD 3.47Å; S274-R292 VanDerWaalsContact OG-CG 3.31Å; S274-R292 WeakPolarHBondContact OG-CG 3.47Å; S274-L293 CarbonylContact C-O 3.52Å; S274-L293 VanDerWaalsContact CA-O 3.27Å; S274-L293 WeakPolarHBondContact CA-O 3.29Å
275E84.5Confident64.6Low65 Ų6597 Ų9730%0.30448%0.482SS..EExtended strand (participates in β ladder)trans-126.9146.6173.4-70.1-168.817100110.4F277 R292 L293 R549E275-F277 HydrophobicContact CB-CE2 4.06Å; E275-F277 HydrophobicContact CB-CZ 4.28Å; E275-R292 CarbonylContact O-C 3.58Å; E275-R292 VanDerWaalsContact O-CA 3.26Å; E275-R292 WeakPolarHBondContact O-CA 3.5Å; E275-L293 PolarHBondContact N-O 3.12Å; E275-L293 PolarHBondContact O-N 3.31Å; E275-R549 VanDerWaalsContact CD-NH2 3.33Å; E275-R549 IonicContact OE1-CZ 2.74Å; E275-R549 IonicContact OE1-NE 3.18Å; E275-R549 IonicContact OE1-NH1 3.77Å; E275-R549 PolarHBondContact OE1-NH1 2.79Å; E275-R549 IonicContact OE1-NH2 3.65Å; E275-R549 PolarHBondContact OE1-NH2 2.86Å; E275-R549 VanDerWaalsContact OE1-NH2 3.07Å; E275-R549 WeakPolarHBondContact OE2-CD 3.24Å; E275-R549 VanDerWaalsContact OE2-CG 3.31Å; E275-R549 WeakPolarHBondContact OE2-CG 3.3Å; E275-R549 IonicContact OE2-CZ 2.8Å; E275-R549 IonicContact OE2-NE 2.73Å; E275-R549 PolarHBondContact OE2-NE 3.04Å; E275-R549 VanDerWaalsContact OE2-NE 3.17Å; E275-R549 IonicContact OE2-NH1 2.66Å; E275-R549 IonicContact OE2-NH2 3.63Å
276T88Confident66.8Low80 Ų80101.2 Ų101.249%0.49149%0.49SS..EExtended strand (participates in β ladder)trans-121.4135.5-179.2-570000110.7N290 F291T276-N290 HydrophobicContact CG2-CB 4.43Å; T276-F291 CarbonylContact C-O 3.59Å; T276-F291 WeakPolarHBondContact CA-O 3.19Å
277F87.2Confident69.1Low37 Ų3794.2 Ų94.216%0.16246%0.461CS..EExtended strand (participates in β ladder)trans-121.4132.2-179.1-54.8-94.9000108.5E275 F291 L293 R549 I552E275-F277 HydrophobicContact CB-CE2 4.06Å; E275-F277 HydrophobicContact CB-CZ 4.28Å; F277-F291 HydrophobicContact CB-CB 4.43Å; F277-F291 PolarHBondContact N-O 3.18Å; F277-F291 PolarHBondContact O-N 2.82Å; F277-L293 HydrophobicContact CE2-CB 4.1Å; F277-R549 HydrophobicContact CZ-CB 4.01Å; F277-R549 HydrophobicContact CZ-CG 4.05Å; F277-I552 HydrophobicContact CD1-CG2 4.39Å; F277-I552 HydrophobicContact CD2-CG2 4.05Å; F277-I552 HydrophobicContact CE2-CD1 4.47Å; F277-I552 HydrophobicContact CE2-CG2 4.4Å; F277-I552 HydrophobicContact CG-CG2 4.06Å
278T85.3Confident71.5Confident87 Ų8792 Ų9253%0.53446%0.459SS..EExtended strand (participates in β ladder)trans-98.5121.2173-55.50000109.6M288 F289 N290T278-M288 HydrophobicContact CG2-CE 3.33Å; T278-M288 HydrophobicContact CG2-SD 3.95Å; T278-F289 WeakPolarHBondContact CA-O 3.28Å; T278-N290 PolarHBondContact OG1-OD1 3.16Å
279V83.7Confident74.3Confident12 Ų1287.7 Ų87.77%0.07343%0.432CS..EExtended strand (participates in β ladder)trans-117.7135.3-170.71660000110.8L281 M288 F289 F291 F556V279-L281 HydrophobicContact CG1-CD2 4.25Å; V279-L281 HydrophobicContact CG1-CG 3.97Å; V279-M288 CarbonylContact O-C 3.58Å; V279-M288 WeakPolarHBondContact O-CA 3.29Å; V279-F289 PolarHBondContact N-O 3.1Å; V279-F289 PolarHBondContact O-N 3.28Å; V279-F291 HydrophobicContact CB-CD2 4.24Å; V279-F291 HydrophobicContact CB-CE2 4.13Å; V279-F291 HydrophobicContact CG1-CE2 4.04Å; V279-F291 HydrophobicContact CG1-CZ 4.34Å; V279-F291 HydrophobicContact CG2-CD2 3.68Å; V279-F291 HydrophobicContact CG2-CE2 3.93Å; V279-F291 HydrophobicContact CG2-CG 4.29Å; V279-F556 HydrophobicContact CB-CB 4.33Å; V279-F556 HydrophobicContact CG1-CB 3.69Å; V279-F556 HydrophobicContact CG1-CD1 3.73Å; V279-F556 HydrophobicContact CG1-CG 3.93Å; V279-F556 HydrophobicContact CG2-CB 3.65Å; V279-F556 HydrophobicContact CG2-CG 4.11Å
280Q82Confident76.7Confident76 Ų7685 Ų8536%0.35542%0.418SS..EExtended strand (participates in β ladder)trans-104.5109.6173.4-75.2-177.15.100111.7T287 M288 Q558Q280-T287 WeakPolarHBondContact CA-O 3.26Å; Q280-M288 HydrophobicContact CG-CG 4.45Å; Q280-M288 HydrophobicContact CG-SD 3.28Å; Q280-M288 WeakPolarHBondContact CG-SD 3.47Å; Q280-M288 PolarHBondContact NE2-SD 3.22Å; Q280-Q558 PolarHBondContact O-NE2 3.44Å; Q280-Q558 VanDerWaalsContact O-NE2 3.07Å
281L82.1Confident78.8Confident5 Ų576.7 Ų76.73%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-104.8146.6173.3-68.7179.9000111.1V279 R286 T287 F289 K515 L518 M519 I522 F556V279-L281 HydrophobicContact CG1-CD2 4.25Å; V279-L281 HydrophobicContact CG1-CG 3.97Å; L281-R286 CarbonylContact O-C 3.56Å; L281-R286 WeakPolarHBondContact O-CA 3.38Å; L281-T287 PolarHBondContact N-O 3.4Å; L281-T287 PolarHBondContact O-N 2.92Å; L281-F289 HydrophobicContact CB-CD2 4.24Å; L281-F289 HydrophobicContact CB-CE2 4.01Å; L281-F289 HydrophobicContact CD1-CD2 4.01Å; L281-F289 HydrophobicContact CD1-CE2 3.97Å; L281-F289 HydrophobicContact CG-CD2 4.25Å; L281-F289 HydrophobicContact CG-CE2 4.36Å; L281-K515 HydrophobicContact CD2-CG 4.07Å; L281-L518 HydrophobicContact CD1-CB 3.66Å; L281-L518 HydrophobicContact CD1-CD1 3.62Å; L281-L518 HydrophobicContact CD1-CG 4.31Å; L281-M519 HydrophobicContact CB-SD 3.91Å; L281-M519 HydrophobicContact CD2-CG 4.42Å; L281-M519 HydrophobicContact CD2-SD 4.04Å; L281-M519 HydrophobicContact CG-SD 4.49Å; L281-I522 HydrophobicContact CB-CD1 3.57Å; L281-I522 HydrophobicContact CD1-CD1 4.14Å; L281-F556 HydrophobicContact CD2-CD1 3.99Å; L281-F556 HydrophobicContact CD2-CE1 4.34Å
282G73.6Confident80.5Confident11 Ų1172.4 Ų72.411%0.11335%0.352CS..  trans117147.8-179.200000113.4L285 M519G282-L285 WeakPolarHBondContact CA-O 3.28Å; G282-M519 PolarHBondContact N-SD 3.19Å
283R68.9Low81.8Confident241 Ų24171.2 Ų71.291%0.90935%0.345SS*.SBendtrans-88.9-36.4-179.5-71.7-177.7176.2169.1-1113.5M519R283-M519 HydrophobicContact CG-CE 4.34Å
284Q68.6Low82.7Confident190 Ų19067.8 Ų67.889%0.88833%0.327SS*.SBendtrans-118.7-66.2-176.8-69.4174.9-16.600109.7
285L67.8Low83.1Confident153 Ų15367.4 Ų67.480%0.80132%0.317SS*.SBendtrans-80.7115.8166.8-64.6172.6000108.5G282G282-L285 WeakPolarHBondContact CA-O 3.28Å
286R75.5Confident83.1Confident141 Ų14165.4 Ų65.453%0.53231%0.308SS..PPolyproline II helixtrans-92.2116.7176.6-65.6-171.6-177-170.91.2110.1L281L281-R286 CarbonylContact O-C 3.56Å; L281-R286 WeakPolarHBondContact O-CA 3.38Å
287T80.7Confident82.9Confident17 Ų1763 Ų6310%0.10429%0.293CS..EExtended strand (participates in β ladder)trans-91.9132.9170.8-61.70000110.1Q280 L281 F289 I522 P527Q280-T287 WeakPolarHBondContact CA-O 3.26Å; L281-T287 PolarHBondContact N-O 3.4Å; L281-T287 PolarHBondContact O-N 2.92Å; T287-F289 HydrophobicContact CG2-CD2 4.03Å; T287-F289 HydrophobicContact CG2-CE2 3.37Å; T287-F289 HydrophobicContact CG2-CZ 3.67Å; T287-I522 WeakPolarHBondContact OG1-CG2 3.4Å; T287-P527 HydrophobicContact CG2-CB 3.48Å; T287-P527 VanDerWaalsContact CG2-CB 3.48Å
288M84.6Confident82.7Confident104 Ų10462 Ų6251%0.51229%0.29SS..EExtended strand (participates in β ladder)trans-86.4127.5174.6-67-77.8-91.500109.8T278 V279 Q280T278-M288 HydrophobicContact CG2-CE 3.33Å; T278-M288 HydrophobicContact CG2-SD 3.95Å; V279-M288 CarbonylContact O-C 3.58Å; V279-M288 WeakPolarHBondContact O-CA 3.29Å; Q280-M288 HydrophobicContact CG-CG 4.45Å; Q280-M288 HydrophobicContact CG-SD 3.28Å; Q280-M288 WeakPolarHBondContact CG-SD 3.47Å; Q280-M288 PolarHBondContact NE2-SD 3.22Å
289F86.9Confident82.5Confident0 Ų059.7 Ų59.70%028%0.277CS..EExtended strand (participates in β ladder)trans-118.5141.2169.8-65.6-95.7000109.9T278 V279 L281 T287 F291 L518 I522 L529T278-F289 WeakPolarHBondContact CA-O 3.28Å; V279-F289 PolarHBondContact N-O 3.1Å; V279-F289 PolarHBondContact O-N 3.28Å; L281-F289 HydrophobicContact CB-CD2 4.24Å; L281-F289 HydrophobicContact CB-CE2 4.01Å; L281-F289 HydrophobicContact CD1-CD2 4.01Å; L281-F289 HydrophobicContact CD1-CE2 3.97Å; L281-F289 HydrophobicContact CG-CD2 4.25Å; L281-F289 HydrophobicContact CG-CE2 4.36Å; T287-F289 HydrophobicContact CG2-CD2 4.03Å; T287-F289 HydrophobicContact CG2-CE2 3.37Å; T287-F289 HydrophobicContact CG2-CZ 3.67Å; F289-F291 HydrophobicContact CB-CD1 3.9Å; F289-F291 HydrophobicContact CB-CE1 3.46Å; F289-F291 VanDerWaalsContact CB-CE1 3.46Å; F289-F291 HydrophobicContact CB-CZ 4.15Å; F289-F291 HydrophobicContact CD1-CE1 4.3Å; F289-F291 HydrophobicContact CG-CE1 4.02Å; F289-L518 HydrophobicContact CE1-CD2 3.98Å; F289-L518 HydrophobicContact CZ-CD2 4.25Å; F289-I522 HydrophobicContact CE2-CD1 3.41Å; F289-I522 VanDerWaalsContact CE2-CD1 3.41Å; F289-I522 HydrophobicContact CE2-CG1 4Å; F289-I522 HydrophobicContact CZ-CD1 3.59Å; F289-I522 HydrophobicContact CZ-CG1 3.72Å; F289-L529 WeakPolarHBondContact CD1-O 3.45Å; F289-L529 HydrophobicContact CE1-CB 4.26Å; F289-L529 HydrophobicContact CE1-CG 4.41Å; F289-L529 WeakPolarHBondContact CE1-O 3.37Å
290N90.3Very high82.4Confident73 Ų7362.7 Ų62.739%0.3929%0.291SS..EExtended strand (participates in β ladder)trans-96.4107.1168.6-66.8-46.4000108.7T276 T278 R530 S531 I532T276-N290 HydrophobicContact CG2-CB 4.43Å; T278-N290 PolarHBondContact OG1-OD1 3.16Å; N290-R530 PolarHBondContact N-O 3.37Å; N290-S531 CarbonylContact O-C 3.56Å; N290-S531 VanDerWaalsContact O-CA 3.23Å; N290-S531 WeakPolarHBondContact O-CA 3.28Å; N290-S531 PolarHBondContact O-OG 3.28Å; N290-I532 PolarHBondContact O-N 2.93Å
291F92.4Very high82.3Confident0 Ų059.2 Ų59.20%027%0.274CS..EExtended strand (participates in β ladder)trans-93132173-67.3-8.1000109.5T276 F277 V279 F289 L518 I532 F534 F556T276-F291 CarbonylContact C-O 3.59Å; T276-F291 WeakPolarHBondContact CA-O 3.19Å; F277-F291 HydrophobicContact CB-CB 4.43Å; F277-F291 PolarHBondContact N-O 3.18Å; F277-F291 PolarHBondContact O-N 2.82Å; V279-F291 HydrophobicContact CB-CD2 4.24Å; V279-F291 HydrophobicContact CB-CE2 4.13Å; V279-F291 HydrophobicContact CG1-CE2 4.04Å; V279-F291 HydrophobicContact CG1-CZ 4.34Å; V279-F291 HydrophobicContact CG2-CD2 3.68Å; V279-F291 HydrophobicContact CG2-CE2 3.93Å; V279-F291 HydrophobicContact CG2-CG 4.29Å; F289-F291 HydrophobicContact CB-CD1 3.9Å; F289-F291 HydrophobicContact CB-CE1 3.46Å; F289-F291 VanDerWaalsContact CB-CE1 3.46Å; F289-F291 HydrophobicContact CB-CZ 4.15Å; F289-F291 HydrophobicContact CD1-CE1 4.3Å; F289-F291 HydrophobicContact CG-CE1 4.02Å; F291-L518 HydrophobicContact CE1-CD1 4.32Å; F291-L518 HydrophobicContact CZ-CD1 3.9Å; F291-I532 CarbonylContact C-O 3.57Å; F291-I532 VanDerWaalsContact CA-O 3.28Å; F291-I532 WeakPolarHBondContact CA-O 3.49Å; F291-I532 HydrophobicContact CD1-CB 3.7Å; F291-I532 HydrophobicContact CD1-CD1 4.35Å; F291-I532 HydrophobicContact CD1-CG1 4.1Å; F291-I532 HydrophobicContact CE1-CB 3.89Å; F291-I532 HydrophobicContact CE1-CD1 3.63Å; F291-I532 HydrophobicContact CE1-CG1 3.82Å; F291-I532 HydrophobicContact CZ-CD1 4.27Å; F291-F534 HydrophobicContact CB-CE2 4.11Å; F291-F534 HydrophobicContact CD1-CE2 4.49Å; F291-F534 HydrophobicContact CD2-CE2 4.01Å; F291-F534 AromaticContact CG-CE2 3.97Å; F291-F534 HydrophobicContact CG-CE2 3.97Å; F291-F556 HydrophobicContact CD2-CD2 4.03Å; F291-F556 HydrophobicContact CD2-CE2 4.08Å; F291-F556 HydrophobicContact CD2-CG 4.35Å; F291-F556 HydrophobicContact CD2-CZ 4.42Å; F291-F556 AromaticContact CE2-CD1 3.69Å; F291-F556 HydrophobicContact CE2-CD1 3.69Å; F291-F556 AromaticContact CE2-CD2 3.71Å; F291-F556 HydrophobicContact CE2-CD2 3.71Å; F291-F556 AromaticContact CE2-CE1 3.54Å; F291-F556 HydrophobicContact CE2-CE1 3.54Å; F291-F556 AromaticContact CE2-CE2 3.58Å; F291-F556 HydrophobicContact CE2-CE2 3.58Å; F291-F556 AromaticContact CE2-CG 3.78Å; F291-F556 HydrophobicContact CE2-CG 3.78Å; F291-F556 AromaticContact CE2-CZ 3.5Å; F291-F556 HydrophobicContact CE2-CZ 3.5Å; F291-F556 HydrophobicContact CZ-CD1 4.39Å; F291-F556 HydrophobicContact CZ-CE1 4.03Å; F291-F556 HydrophobicContact CZ-CZ 4.19Å
292R91.4Very high82.2Confident78 Ų7859 Ų5929%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-117.9125.7178-172.5-176-80.8176-2.5108.8S274 E275 I294 D439 I532 Q533 F534S274-R292 WeakPolarHBondContact OG-CD 3.47Å; S274-R292 VanDerWaalsContact OG-CG 3.31Å; S274-R292 WeakPolarHBondContact OG-CG 3.47Å; E275-R292 CarbonylContact O-C 3.58Å; E275-R292 VanDerWaalsContact O-CA 3.26Å; E275-R292 WeakPolarHBondContact O-CA 3.5Å; R292-I294 HydrophobicContact CG-CD1 4.13Å; R292-I294 HydrophobicContact CG-CG1 3.72Å; R292-D439 IonicContact NH1-OD2 3.2Å; R292-I532 PolarHBondContact N-O 2.71Å; R292-Q533 HydrophobicContact CB-CB 4.47Å; R292-Q533 HydrophobicContact CB-CG 4.28Å; R292-Q533 CarbonylContact O-C 3.54Å; R292-Q533 WeakPolarHBondContact O-CA 3.45Å; R292-F534 PolarHBondContact O-N 3.24Å
293L92.3Very high81.8Confident2 Ų260.6 Ų60.61%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-96.4123.8169.1176.863.1000107.7S274 E275 F277 L488 F534 A536 L545 R549 I552S274-L293 CarbonylContact C-O 3.52Å; S274-L293 VanDerWaalsContact CA-O 3.27Å; S274-L293 WeakPolarHBondContact CA-O 3.29Å; E275-L293 PolarHBondContact N-O 3.12Å; E275-L293 PolarHBondContact O-N 3.31Å; F277-L293 HydrophobicContact CE2-CB 4.1Å; L293-L488 HydrophobicContact CD1-CD2 3.8Å; L293-F534 HydrophobicContact CD1-CB 4.29Å; L293-A536 HydrophobicContact CD1-CB 3.99Å; L293-L545 HydrophobicContact CD1-CD1 4.29Å; L293-L545 HydrophobicContact CD2-CD1 3.74Å; L293-L545 HydrophobicContact CD2-CG 4.09Å; L293-L545 HydrophobicContact CG-CD1 4.05Å; L293-R549 HydrophobicContact CD2-CG 3.59Å; L293-I552 HydrophobicContact CB-CD1 4.07Å; L293-I552 HydrophobicContact CD1-CD1 4.2Å; L293-I552 HydrophobicContact CD2-CD1 4.06Å; L293-I552 HydrophobicContact CG-CD1 4.34Å
294I90.4Very high81.1Confident0 Ų053.1 Ų53.10%026%0.262CS..EExtended strand (participates in β ladder)trans-124125.6-178.7-49.9-178.8000108.2P272 R292 L296 T437 Q533 F534 L535 A536P272-I294 HydrophobicContact CB-CG2 3.78Å; P272-I294 HydrophobicContact CG-CG2 4.15Å; R292-I294 HydrophobicContact CG-CD1 4.13Å; R292-I294 HydrophobicContact CG-CG1 3.72Å; I294-L296 HydrophobicContact CG2-CB 4.06Å; I294-L296 PolarHBondContact O-N 3.07Å; I294-T437 HydrophobicContact CD1-CG2 4.15Å; I294-Q533 HydrophobicContact CD1-CB 4.17Å; I294-F534 PolarHBondContact N-O 3.4Å; I294-L535 HydrophobicContact CB-CD2 4.25Å; I294-L535 HydrophobicContact CD1-CD2 4.25Å; I294-A536 PolarHBondContact O-N 2.93Å
295R89.1Confident80.3Confident44 Ų4445 Ų4517%0.16623%0.225CC..EExtended strand (participates in β ladder)trans-78.398.4165.4-177.7-172.1-77.4134.10.4109.1P272 L273 A536 S538 I540 T541 D542P272-R295 WeakPolarHBondContact CB-O 3.43Å; L273-R295 HydrophobicContact CB-CB 4.39Å; L273-R295 PolarHBondContact O-N 2.81Å; R295-A536 CarbonylContact C-O 3.5Å; R295-A536 WeakPolarHBondContact CA-O 3.41Å; R295-S538 WeakPolarHBondContact CD-O 3.5Å; R295-I540 PolarHBondContact NE-O 2.89Å; R295-I540 PolarHBondContact NH2-O 2.87Å; R295-T541 VanDerWaalsContact NH2-C 3.27Å; R295-T541 PolarHBondContact NH2-O 2.94Å; R295-D542 IonicContact CZ-OD1 3.86Å; R295-D542 IonicContact NH1-OD1 3.26Å; R295-D542 PolarHBondContact NH1-OD1 3Å; R295-D542 IonicContact NH2-OD1 3.12Å; R295-D542 PolarHBondContact NH2-OD1 3.24Å
296L84.9Confident79.3Confident22 Ų2246.3 Ų46.312%0.11522%0.22CC..  trans-166.3141.4172.4-164.579.7000109.8P272 I294 E300 F301 S436 A536P272-L296 HydrophobicContact CB-CB 4.44Å; P272-L296 HydrophobicContact CB-CD1 4.4Å; I294-L296 HydrophobicContact CG2-CB 4.06Å; I294-L296 PolarHBondContact O-N 3.07Å; L296-E300 HydrophobicContact CD1-CB 3.88Å; L296-E300 WeakPolarHBondContact CD1-OE2 3.38Å; L296-E300 HydrophobicContact CD2-CB 4.31Å; L296-E300 HydrophobicContact CG-CB 3.88Å; L296-F301 HydrophobicContact CD2-CB 3.8Å; L296-F301 HydrophobicContact CD2-CD2 3.88Å; L296-F301 HydrophobicContact CD2-CG 4.33Å; L296-S436 WeakPolarHBondContact CD2-OG 3.5Å; L296-A536 CarbonylContact C-O 3.56Å; L296-A536 PolarHBondContact N-O 3.46Å
297D84.3Confident78Confident30 Ų3041.9 Ų41.916%0.1620%0.204CC..  trans-74.9145.9173.1-81.4-66.3000112.4S299 E300 F301 P537 S538D297-S299 PolarHBondContact O-N 3.05Å; D297-S299 VanDerWaalsContact O-N 3.15Å; D297-E300 HydrophobicContact CB-CG 4.19Å; D297-E300 PolarHBondContact N-OE2 2.83Å; D297-E300 WeakPolarHBondContact O-CB 3.37Å; D297-E300 PolarHBondContact O-N 3.07Å; D297-F301 PolarHBondContact O-N 3.06Å; D297-P537 VanDerWaalsContact OD1-CA 3.29Å; D297-P537 WeakPolarHBondContact OD1-CA 3.46Å; D297-P537 VanDerWaalsContact OD1-CB 3.28Å; D297-P537 WeakPolarHBondContact OD1-CB 3.42Å; D297-S538 WeakPolarHBondContact OD2-CB 3.38Å; D297-S538 PolarHBondContact OD2-N 3.35Å; D297-S538 PolarHBondContact OD2-OG 2.89Å
298P81.4Confident76.1Confident16 Ų1649.4 Ų49.410%0.10423%0.231CC..Hα-helixtrans-59.2-25.7177.7-24.833.9000114.4I352 P487 L535P298-I352 HydrophobicContact CB-CD1 3.73Å; P298-P487 HydrophobicContact CG-CB 3.99Å; P298-P487 HydrophobicContact CG-CG 3.76Å; P298-L535 HydrophobicContact CB-CD1 4.23Å; P298-L535 HydrophobicContact CG-CB 4.39Å; P298-L535 HydrophobicContact CG-CD1 4.15Å
299S82.6Confident74.1Confident38 Ų3847.8 Ų47.827%0.26622%0.224SC..Hα-helixtrans-67-49.8170.843.90000111.5D297 F301 I302 T303D297-S299 PolarHBondContact O-N 3.05Å; D297-S299 VanDerWaalsContact O-N 3.15Å; S299-F301 VanDerWaalsContact C-N 3.31Å; S299-F301 PolarHBondContact O-N 3.4Å; S299-I302 PolarHBondContact O-N 3.1Å; S299-T303 WeakPolarHBondContact O-CG2 3.3Å; S299-T303 PolarHBondContact O-N 3.14Å
300E80.2Confident71.7Confident76 Ų7650.6 Ų50.636%0.35524%0.237SC..Hα-helixtrans-61.4-41.1178.6-64.7-179.1145.800111.3L296 D297 I302 T303L296-E300 HydrophobicContact CD1-CB 3.88Å; L296-E300 WeakPolarHBondContact CD1-OE2 3.38Å; L296-E300 HydrophobicContact CD2-CB 4.31Å; L296-E300 HydrophobicContact CG-CB 3.88Å; D297-E300 HydrophobicContact CB-CG 4.19Å; D297-E300 PolarHBondContact N-OE2 2.83Å; D297-E300 WeakPolarHBondContact O-CB 3.37Å; D297-E300 PolarHBondContact O-N 3.07Å; E300-I302 PolarHBondContact O-N 2.9Å; E300-I302 VanDerWaalsContact O-N 3.16Å; E300-T303 WeakPolarHBondContact CA-OG1 3.37Å; E300-T303 PolarHBondContact O-N 2.95Å; E300-T303 VanDerWaalsContact O-N 3.11Å; E300-T303 PolarHBondContact O-OG1 3.4Å
301F79.6Confident69.4Low3 Ų352 Ų521%0.01324%0.241CC..Hα-helixtrans-52.3-36176.2-167.1-98.4000112.8L296 D297 S299 L338 S435 S436 T437 I441 L535L296-F301 HydrophobicContact CD2-CB 3.8Å; L296-F301 HydrophobicContact CD2-CD2 3.88Å; L296-F301 HydrophobicContact CD2-CG 4.33Å; D297-F301 PolarHBondContact O-N 3.06Å; S299-F301 VanDerWaalsContact C-N 3.31Å; S299-F301 PolarHBondContact O-N 3.4Å; F301-L338 HydrophobicContact CD1-CD1 3.83Å; F301-L338 HydrophobicContact CD1-CD2 3.91Å; F301-L338 HydrophobicContact CD1-CG 4.46Å; F301-L338 HydrophobicContact CE1-CD1 3.87Å; F301-L338 HydrophobicContact CE1-CD2 4.23Å; F301-L338 HydrophobicContact CE1-CG 4.48Å; F301-S435 VanDerWaalsContact CE1-CB 3.44Å; F301-S435 CarbonylContact O-C 3.48Å; F301-S435 VanDerWaalsContact O-CA 3.31Å; F301-S435 WeakPolarHBondContact O-CA 3.07Å; F301-S436 PolarHBondContact O-N 2.89Å; F301-T437 HydrophobicContact CE2-CG2 4.11Å; F301-I441 HydrophobicContact CD1-CD1 4.01Å; F301-I441 HydrophobicContact CE1-CD1 3.82Å; F301-I441 HydrophobicContact CE1-CG1 4.14Å; F301-L535 HydrophobicContact CB-CD1 4.36Å; F301-L535 HydrophobicContact CD2-CD1 4.31Å; F301-L535 HydrophobicContact CD2-CD2 3.89Å; F301-L535 HydrophobicContact CE2-CD2 4.06Å; F301-L535 HydrophobicContact CG-CD1 4.16Å
302I81.4Confident66.8Low1 Ų153.9 Ų53.91%0.00525%0.251CS..Hα-helixtrans-83.1-45.7176.2-61.5166.7000111.2S299 E300 T304 T305 L338 I340 I352 I355 L356 A359S299-I302 PolarHBondContact O-N 3.1Å; E300-I302 PolarHBondContact O-N 2.9Å; E300-I302 VanDerWaalsContact O-N 3.16Å; I302-T304 VanDerWaalsContact C-N 3.26Å; I302-T304 PolarHBondContact O-N 3.34Å; I302-T304 VanDerWaalsContact O-N 3.09Å; I302-T305 PolarHBondContact O-N 2.87Å; I302-T305 PolarHBondContact O-OG1 3.49Å; I302-L338 HydrophobicContact CD1-CD2 3.97Å; I302-L338 HydrophobicContact CG1-CD2 3.73Å; I302-I340 HydrophobicContact CD1-CG2 4.25Å; I302-I352 HydrophobicContact CD1-CD1 4.34Å; I302-I352 HydrophobicContact CD1-CG1 4.15Å; I302-I355 HydrophobicContact CB-CG2 4.27Å; I302-I355 HydrophobicContact CG2-CG2 4.21Å; I302-L356 HydrophobicContact CD1-CB 4.42Å; I302-L356 HydrophobicContact CD1-CD1 4.31Å; I302-A359 HydrophobicContact CG2-CB 3.59Å
303T65.1Low64.6Low44 Ų4453.8 Ų53.827%0.2725%0.254SS..Hα-helixtrans-63.4-19.2-166.753.70000116.6S299 E300 T305 R306 I355S299-T303 WeakPolarHBondContact O-CG2 3.3Å; S299-T303 PolarHBondContact O-N 3.14Å; E300-T303 WeakPolarHBondContact CA-OG1 3.37Å; E300-T303 PolarHBondContact O-N 2.95Å; E300-T303 VanDerWaalsContact O-N 3.11Å; E300-T303 PolarHBondContact O-OG1 3.4Å; T303-T305 PolarHBondContact O-N 2.71Å; T303-T305 VanDerWaalsContact O-N 3.15Å; T303-R306 WeakPolarHBondContact O-CB 3.34Å; T303-R306 WeakPolarHBondContact O-CG 3.3Å; T303-R306 PolarHBondContact O-N 2.99Å; T303-I355 HydrophobicContact CG2-CG2 3.47Å; T303-I355 VanDerWaalsContact CG2-CG2 3.47Å
304T54.3Low62.3Low83 Ų8359 Ų5951%0.50928%0.281SS..THydrogen-bonded Turntrans-67.8-12.9-177.7-56.40000112.9I302 R306 S436I302-T304 VanDerWaalsContact C-N 3.26Å; I302-T304 PolarHBondContact O-N 3.34Å; I302-T304 VanDerWaalsContact O-N 3.09Å; T304-R306 PolarHBondContact O-N 3.37Å; T304-R306 VanDerWaalsContact O-N 3.16Å; T304-S436 WeakPolarHBondContact OG1-CB 3.44Å
305T50.6Low60.3Low19 Ų1965.2 Ų65.212%0.11731%0.314CS..THydrogen-bonded Turntrans-66.6-0.1163.443.50000115I302 T303 F307 I434I302-T305 PolarHBondContact O-N 2.87Å; I302-T305 PolarHBondContact O-OG1 3.49Å; T303-T305 PolarHBondContact O-N 2.71Å; T303-T305 VanDerWaalsContact O-N 3.15Å; T305-F307 PolarHBondContact O-N 3.38Å; T305-I434 HydrophobicContact CG2-CB 3.86Å; T305-I434 HydrophobicContact CG2-CG1 4.46Å; T305-I434 VanDerWaalsContact CG2-N 3.27Å; T305-I434 WeakPolarHBondContact CG2-O 3.39Å
306R48.2Very low59Low182 Ų18265.5 Ų65.569%0.68732%0.319SS*.  trans-55.998.4153.7-76.5-175-175.4178.15.1107.9T303 T304 R308T303-R306 WeakPolarHBondContact O-CB 3.34Å; T303-R306 WeakPolarHBondContact O-CG 3.3Å; T303-R306 PolarHBondContact O-N 2.99Å; T304-R306 PolarHBondContact O-N 3.37Å; T304-R306 VanDerWaalsContact O-N 3.16Å; R306-R308 PolarHBondContact O-N 3.32Å
307F47.9Very low58.1Low48 Ų4870.4 Ų70.421%0.21135%0.345CS..  trans-43.199.4144.2-72.9-91.7000105.8A140 T305 L309 W319A140-F307 HydrophobicContact CB-CE1 4.15Å; A140-F307 HydrophobicContact CB-CE2 3.64Å; A140-F307 HydrophobicContact CB-CZ 3.36Å; T305-F307 PolarHBondContact O-N 3.38Å; F307-L309 PolarHBondContact O-N 3.49Å; F307-W319 AromaticContact CE1-CE2 3.89Å; F307-W319 AromaticContact CE1-CZ2 3.73Å; F307-W319 HydrophobicContact CE1-CZ2 3.73Å; F307-W319 AromaticContact CE1-NE1 3.74Å; F307-W319 AromaticContact CZ-CZ2 3.77Å; F307-W319 HydrophobicContact CZ-CZ2 3.77Å
308R40.8Very low57.6Low174 Ų17473.4 Ų73.466%0.65736%0.361SS*.  trans-62.6101.8157.1-71-171.7-176.4-175.63.4102.2R306 Q310R306-R308 PolarHBondContact O-N 3.32Å; R308-Q310 HydrophobicContact CB-CG 4.48Å; R308-Q310 PolarHBondContact O-N 2.9Å
309L42.7Very low57.2Low71 Ų7174.6 Ų74.637%0.37236%0.363SS..  trans-65.547.8166.6-70.9161.6000109.2L141 F307 E311L141-L309 HydrophobicContact CD2-CD2 3.87Å; F307-L309 PolarHBondContact O-N 3.49Å; L309-E311 PolarHBondContact O-N 2.74Å
310Q36.4Very low57.1Low58 Ų5874.9 Ų74.927%0.27136%0.362SS..  trans-74.9104.1150.7-73.5-178.2-10.600104.1S265 R308 N312 H313S265-Q310 PolarHBondContact OG-NE2 3.11Å; R308-Q310 HydrophobicContact CB-CG 4.48Å; R308-Q310 PolarHBondContact O-N 2.9Å; Q310-N312 PolarHBondContact O-N 2.9Å; Q310-H313 PolarHBondContact O-N 3.43Å
311E41Very low57.2Low104 Ų10474 Ų7449%0.48637%0.367SS..THydrogen-bonded Turntrans-60.13.2-179-61.6172.5132.700113.4I259 L309I259-E311 HydrophobicContact CG2-CB 3.62Å; I259-E311 HydrophobicContact CG2-CG 3.7Å; I259-E311 VanDerWaalsContact CG2-OE1 3.22Å; I259-E311 WeakPolarHBondContact CG2-OE1 3.48Å; L309-E311 PolarHBondContact O-N 2.74Å
312N37.6Very low57.5Low38 Ų3876 Ų7620%0.20338%0.377CS..THydrogen-bonded Turntrans-104.15.6-171.6-56.6-55.7000114.9N261 Q262 A263 Q310N261-N312 VanDerWaalsContact CA-OD1 3.22Å; N261-N312 WeakPolarHBondContact CA-OD1 3.48Å; N261-N312 WeakPolarHBondContact CB-OD1 3.38Å; Q262-N312 PolarHBondContact N-OD1 2.89Å; Q262-N312 PolarHBondContact O-ND2 3.24Å; A263-N312 PolarHBondContact N-ND2 3.06Å; A263-N312 VanDerWaalsContact N-ND2 3.11Å; A263-N312 PolarHBondContact O-ND2 3.18Å; Q310-N312 PolarHBondContact O-N 2.9Å
313H44.9Very low57.8Low77 Ų7776 Ų7636%0.35638%0.377SS..  trans-120.252.5177.9-75.7-65.6000113.1Q310 L315 N316Q310-H313 PolarHBondContact O-N 3.43Å; H313-L315 PolarHBondContact O-N 3.02Å; H313-N316 PolarHBondContact ND1-ND2 3.42Å; H313-N316 PolarHBondContact ND1-OD1 3.33Å
314L44Very low58.9Low110 Ų11076.2 Ų76.258%0.57638%0.375SS*.THydrogen-bonded Turntrans-62.3121151.2-74.7161.4000107.8
315L50.2Low60.5Low131 Ų13175.4 Ų75.469%0.68637%0.368SS*.THydrogen-bonded Turntrans66.161.6179-46.6177.4000115.7H313H313-L315 PolarHBondContact O-N 3.02Å
316N60.5Low62.4Low51 Ų5174.6 Ų74.627%0.27336%0.363SS..  trans-80.1112.9146.5-76.2-9.5000107.6H313 D318 W319 L320H313-N316 PolarHBondContact ND1-ND2 3.42Å; H313-N316 PolarHBondContact ND1-OD1 3.33Å; N316-D318 PolarHBondContact O-N 3.34Å; N316-D318 VanDerWaalsContact O-N 3.15Å; N316-W319 HydrophobicContact CB-CB 4.5Å; N316-W319 PolarHBondContact O-N 2.83Å; N316-L320 PolarHBondContact O-N 2.88Å
317D66.8Low64.4Low125 Ų12566.1 Ų66.167%0.66833%0.331SS*.Hα-helixtrans-54-34.6-179.4-68.3-29.9000112.3W319 L320 A321D317-W319 VanDerWaalsContact C-N 3.35Å; D317-W319 PolarHBondContact O-N 3.01Å; D317-L320 PolarHBondContact O-N 3.39Å; D317-A321 WeakPolarHBondContact O-CB 3.35Å; D317-A321 PolarHBondContact O-N 3.41Å
318D73Confident66.4Low93 Ų9366.8 Ų66.850%0.49734%0.337SS..Hα-helixtrans-51.1-49.9172-59.3-15.6000112.1R267 N316 L320 A321 E322R267-D318 IonicContact NH1-OD2 2.66Å; R267-D318 PolarHBondContact NH1-OD2 2.81Å; N316-D318 PolarHBondContact O-N 3.34Å; N316-D318 VanDerWaalsContact O-N 3.15Å; D318-L320 PolarHBondContact O-N 2.82Å; D318-A321 PolarHBondContact O-N 2.74Å; D318-E322 WeakPolarHBondContact O-CB 3.32Å; D318-E322 WeakPolarHBondContact O-CG 3.28Å; D318-E322 PolarHBondContact O-N 2.83Å
319W74.5Confident68.7Low40 Ų4059.2 Ų59.215%0.15231%0.309CS..Hα-helixtrans-67.4-38.4-176-179.488.9000111.5I133 Q137 F307 N316 D317 A321 R323I133-W319 HydrophobicContact CG2-CH2 4.2Å; I133-W319 HydrophobicContact CG2-CZ3 3.85Å; Q137-W319 HydrophobicContact CB-CH2 3.34Å; Q137-W319 HydrophobicContact CB-CZ2 4.25Å; Q137-W319 HydrophobicContact CB-CZ3 3.71Å; Q137-W319 HydrophobicContact CG-CE3 4.43Å; Q137-W319 HydrophobicContact CG-CH2 3.41Å; Q137-W319 VanDerWaalsContact CG-CH2 3.41Å; Q137-W319 HydrophobicContact CG-CZ2 3.98Å; Q137-W319 HydrophobicContact CG-CZ3 3.65Å; F307-W319 AromaticContact CE1-CE2 3.89Å; F307-W319 AromaticContact CE1-CZ2 3.73Å; F307-W319 HydrophobicContact CE1-CZ2 3.73Å; F307-W319 AromaticContact CE1-NE1 3.74Å; F307-W319 AromaticContact CZ-CZ2 3.77Å; F307-W319 HydrophobicContact CZ-CZ2 3.77Å; N316-W319 HydrophobicContact CB-CB 4.5Å; N316-W319 PolarHBondContact O-N 2.83Å; D317-W319 VanDerWaalsContact C-N 3.35Å; D317-W319 PolarHBondContact O-N 3.01Å; W319-A321 VanDerWaalsContact C-N 3.34Å; W319-R323 HydrophobicContact CD2-CG 4.11Å; W319-R323 HydrophobicContact CE3-CG 4.3Å; W319-R323 HydrophobicContact CH2-CG 3.72Å; W319-R323 HydrophobicContact CZ2-CG 3.55Å; W319-R323 HydrophobicContact CZ3-CG 4.12Å; W319-R323 VanDerWaalsContact O-CB 3.31Å; W319-R323 WeakPolarHBondContact O-CB 3.41Å; W319-R323 WeakPolarHBondContact O-CG 3.39Å; W319-R323 PolarHBondContact O-N 2.79Å
320L79.1Confident70.9Confident45 Ų4556.1 Ų56.124%0.23629%0.294CS..Hα-helixtrans-62.6-43.4174178.962.6000110.3I133 N316 D317 D318 M324I133-L320 HydrophobicContact CB-CD1 3.89Å; I133-L320 HydrophobicContact CG2-CD1 3.61Å; N316-L320 PolarHBondContact O-N 2.88Å; D317-L320 PolarHBondContact O-N 3.39Å; D318-L320 PolarHBondContact O-N 2.82Å; L320-M324 HydrophobicContact CD1-CG 4.26Å; L320-M324 HydrophobicContact CD1-SD 4.23Å; L320-M324 HydrophobicContact CG-SD 4.15Å; L320-M324 WeakPolarHBondContact O-CB 3.35Å; L320-M324 VanDerWaalsContact O-CG 3.23Å; L320-M324 WeakPolarHBondContact O-CG 3.29Å; L320-M324 PolarHBondContact O-N 3.5Å
321A83.4Confident73.4Confident57 Ų5756.7 Ų56.747%0.47129%0.294SS..Hα-helixtrans-66.5-46.1177.800000112.9D317 D318 W319 R323 M324 N325D317-A321 WeakPolarHBondContact O-CB 3.35Å; D317-A321 PolarHBondContact O-N 3.41Å; D318-A321 PolarHBondContact O-N 2.74Å; W319-A321 VanDerWaalsContact C-N 3.34Å; A321-R323 VanDerWaalsContact C-N 3.34Å; A321-R323 PolarHBondContact O-N 3.07Å; A321-M324 PolarHBondContact O-N 3.46Å; A321-N325 VanDerWaalsContact O-CB 3.26Å; A321-N325 WeakPolarHBondContact O-CB 3.31Å; A321-N325 PolarHBondContact O-N 3.13Å
322E85.7Confident75.6Confident44 Ų4453.5 Ų53.521%0.20628%0.283CS..Hα-helixtrans-56.1-47.4174.9-69.9167.7-163.100110.9R267 D318 N326 I434R267-E322 IonicContact NH2-OE1 2.81Å; D318-E322 WeakPolarHBondContact O-CB 3.32Å; D318-E322 WeakPolarHBondContact O-CG 3.28Å; D318-E322 PolarHBondContact O-N 2.83Å; E322-N326 PolarHBondContact O-N 3.26Å; E322-I434 HydrophobicContact CB-CD1 4.46Å; E322-I434 HydrophobicContact CB-CG2 4.34Å
323R87.5Confident78Confident3 Ų356 Ų561%0.01130%0.296CS..Hα-helixtrans-66.7-45.4176.8-84-79.5-176-169.9-3.2113.2I133 E136 W319 A321 N325 N326 A327 I434I133-R323 HydrophobicContact CD1-CB 4.17Å; I133-R323 HydrophobicContact CG2-CB 3.6Å; I133-R323 HydrophobicContact CG2-CG 4.33Å; E136-R323 VanDerWaalsContact CD-NH1 3.26Å; E136-R323 IonicContact OE1-CZ 3.66Å; E136-R323 IonicContact OE1-NH1 2.9Å; E136-R323 PolarHBondContact OE1-NH1 3.38Å; E136-R323 WeakPolarHBondContact OE2-CD 3.26Å; E136-R323 IonicContact OE2-NH1 2.74Å; W319-R323 HydrophobicContact CD2-CG 4.11Å; W319-R323 HydrophobicContact CE3-CG 4.3Å; W319-R323 HydrophobicContact CH2-CG 3.72Å; W319-R323 HydrophobicContact CZ2-CG 3.55Å; W319-R323 HydrophobicContact CZ3-CG 4.12Å; W319-R323 VanDerWaalsContact O-CB 3.31Å; W319-R323 WeakPolarHBondContact O-CB 3.41Å; W319-R323 WeakPolarHBondContact O-CG 3.39Å; W319-R323 PolarHBondContact O-N 2.79Å; A321-R323 VanDerWaalsContact C-N 3.34Å; A321-R323 PolarHBondContact O-N 3.07Å; R323-N325 VanDerWaalsContact C-N 3.32Å; R323-N325 PolarHBondContact O-N 2.86Å; R323-N326 PolarHBondContact O-N 3.47Å; R323-A327 WeakPolarHBondContact O-CB 3.2Å; R323-A327 PolarHBondContact O-N 3.01Å; R323-I434 HydrophobicContact CG-CD1 3.82Å
324M87.5Confident80.1Confident47 Ų4755 Ų5523%0.23229%0.294CS..Hα-helixtrans-59.3-44175.5-77.6-176.483.600111.1I133 L320 A321 A327 L328I133-M324 HydrophobicContact CD1-CG 4.32Å; I133-M324 HydrophobicContact CG1-CG 3.71Å; L320-M324 HydrophobicContact CD1-CG 4.26Å; L320-M324 HydrophobicContact CD1-SD 4.23Å; L320-M324 HydrophobicContact CG-SD 4.15Å; L320-M324 WeakPolarHBondContact O-CB 3.35Å; L320-M324 VanDerWaalsContact O-CG 3.23Å; L320-M324 WeakPolarHBondContact O-CG 3.29Å; L320-M324 PolarHBondContact O-N 3.5Å; A321-M324 PolarHBondContact O-N 3.46Å; M324-A327 PolarHBondContact O-N 3.48Å; M324-L328 WeakPolarHBondContact O-CB 3.28Å; M324-L328 WeakPolarHBondContact O-CD1 3.42Å; M324-L328 WeakPolarHBondContact O-CG 3.3Å; M324-L328 PolarHBondContact O-N 2.9Å
325N88.1Confident82.4Confident66 Ų6651.5 Ų51.535%0.35328%0.275SS..Hα-helixtrans-61.1-45.9177.4-174.650000111.8A321 R323 L328 N329A321-N325 VanDerWaalsContact O-CB 3.26Å; A321-N325 WeakPolarHBondContact O-CB 3.31Å; A321-N325 PolarHBondContact O-N 3.13Å; R323-N325 VanDerWaalsContact C-N 3.32Å; R323-N325 PolarHBondContact O-N 2.86Å; N325-L328 PolarHBondContact O-N 3.21Å; N325-N329 VanDerWaalsContact O-CG 3.32Å; N325-N329 PolarHBondContact O-N 2.82Å; N325-N329 VanDerWaalsContact O-N 3.15Å; N325-N329 PolarHBondContact O-OD1 2.83Å
326N90.3Very high84.5Confident2 Ų245.9 Ų45.91%0.01125%0.246CC..Hα-helixtrans-63.1-44.3174.5177.545.8000112.6E322 R323 L328 N329 V330 S431 G440 N442E322-N326 PolarHBondContact O-N 3.26Å; R323-N326 PolarHBondContact O-N 3.47Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 2.91Å; N326-N329 WeakPolarHBondContact O-CB 3.45Å; N326-N329 PolarHBondContact O-N 3.16Å; N326-V330 PolarHBondContact O-N 2.97Å; N326-S431 PolarHBondContact ND2-O 3.37Å; N326-G440 VanDerWaalsContact OD1-CA 3.32Å; N326-G440 WeakPolarHBondContact OD1-CA 3.23Å; N326-N442 PolarHBondContact OD1-ND2 2.93Å; N326-N442 VanDerWaalsContact OD1-ND2 3.11Å
327A90.1Very high86.2Confident4 Ų443.6 Ų43.63%0.03323%0.234CC..Hα-helixtrans-64.5-34.2177.900000112.8F120 I124 F132 I133 R323 M324 N329 V330F120-A327 WeakPolarHBondContact CE1-O 3.33Å; F120-A327 HydrophobicContact CZ-CB 4.37Å; I124-A327 HydrophobicContact CD1-CB 3.64Å; I124-A327 HydrophobicContact CG1-CB 4.04Å; F132-A327 HydrophobicContact CE1-CB 4.02Å; I133-A327 HydrophobicContact CD1-CB 3.75Å; R323-A327 WeakPolarHBondContact O-CB 3.2Å; R323-A327 PolarHBondContact O-N 3.01Å; M324-A327 PolarHBondContact O-N 3.48Å; A327-N329 VanDerWaalsContact C-N 3.29Å; A327-N329 PolarHBondContact O-N 3.37Å; A327-V330 PolarHBondContact O-N 3.43Å
328L90.2Very high87.6Confident62 Ų6237.7 Ų37.733%0.32520%0.202SC..Hα-helixtrans-66.4-29.3171.4-74.1164.6000112.5I124 H125 M324 N325 N326 S332I124-L328 HydrophobicContact CG1-CD2 4.08Å; I124-L328 HydrophobicContact CG1-CG 4.23Å; I124-L328 HydrophobicContact CG2-CD2 4.12Å; H125-L328 WeakPolarHBondContact ND1-CD2 3.39Å; M324-L328 WeakPolarHBondContact O-CB 3.28Å; M324-L328 WeakPolarHBondContact O-CD1 3.42Å; M324-L328 WeakPolarHBondContact O-CG 3.3Å; M324-L328 PolarHBondContact O-N 2.9Å; N325-L328 PolarHBondContact O-N 3.21Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 2.91Å; L328-S332 WeakPolarHBondContact O-CB 3.28Å
329N90Very high88.6Confident15 Ų1533.3 Ų33.38%0.0818%0.179CC..Hα-helixtrans-75.2-30.6176.9-68.3-12.1000112.4N325 N326 A327 Y331 S332 N334 L335N325-N329 VanDerWaalsContact O-CG 3.32Å; N325-N329 PolarHBondContact O-N 2.82Å; N325-N329 VanDerWaalsContact O-N 3.15Å; N325-N329 PolarHBondContact O-OD1 2.83Å; N326-N329 WeakPolarHBondContact O-CB 3.45Å; N326-N329 PolarHBondContact O-N 3.16Å; A327-N329 VanDerWaalsContact C-N 3.29Å; A327-N329 PolarHBondContact O-N 3.37Å; N329-Y331 PolarHBondContact O-N 3.17Å; N329-S332 VanDerWaalsContact CA-OG 3.3Å; N329-S332 WeakPolarHBondContact CA-OG 3.42Å; N329-S332 WeakPolarHBondContact O-CB 3.35Å; N329-S332 PolarHBondContact O-N 2.82Å; N329-S332 PolarHBondContact O-OG 3.39Å; N329-N334 VanDerWaalsContact CG-O 3.28Å; N329-L335 VanDerWaalsContact O-CD2 3.3Å; N329-L335 WeakPolarHBondContact O-CD2 3.36Å
330V88.9Confident89.5Confident7 Ų731.4 Ų31.44%0.04217%0.172CC..THydrogen-bonded Turntrans-64.2125.2179.2178.30000110.9F120 N326 A327 S332 H367F120-V330 HydrophobicContact CE1-CB 4.2Å; F120-V330 HydrophobicContact CE1-CG1 4.32Å; N326-V330 PolarHBondContact O-N 2.97Å; A327-V330 PolarHBondContact O-N 3.43Å; V330-S332 PolarHBondContact O-N 3.29Å; V330-H367 HydrophobicContact CG1-CB 4.25Å
331Y88.6Confident90.2Very high70 Ų7030 Ų3028%0.27516%0.164SC..THydrogen-bonded Turntrans6315.6-170.5-45.6-56.4000115.8Q113 F116 F120 N329 H367Q113-Y331 PolarHBondContact NE2-OH 3.08Å; F116-Y331 HydrophobicContact CD1-CE2 4.4Å; F116-Y331 HydrophobicContact CE1-CE2 4.18Å; F120-Y331 HydrophobicContact CB-CD2 4.29Å; F120-Y331 HydrophobicContact CB-CE2 4.22Å; F120-Y331 AromaticContact CD1-CD2 3.66Å; F120-Y331 HydrophobicContact CD1-CD2 3.66Å; F120-Y331 HydrophobicContact CD1-CE2 4.01Å; F120-Y331 HydrophobicContact CE1-CD2 4.38Å; F120-Y331 HydrophobicContact CG-CD2 4.23Å; F120-Y331 HydrophobicContact CG-CE2 4.19Å; N329-Y331 PolarHBondContact O-N 3.17Å; Y331-H367 AromaticContact CE2-CE1 3.84Å; Y331-H367 AromaticContact CE2-ND1 3.29Å; Y331-H367 VanDerWaalsContact CE2-ND1 3.29Å; Y331-H367 WeakPolarHBondContact CE2-ND1 3.43Å; Y331-H367 AromaticContact CZ-ND1 3.41Å; Y331-H367 PolarHBondContact OH-ND1 2.95Å
332S87.5Confident90.5Very high36 Ų3627.7 Ų27.725%0.25214%0.144SC..SBendtrans-95.4179.9168.982.50000112.3L328 N329 V330 N334L328-S332 WeakPolarHBondContact O-CB 3.28Å; N329-S332 VanDerWaalsContact CA-OG 3.3Å; N329-S332 WeakPolarHBondContact CA-OG 3.42Å; N329-S332 WeakPolarHBondContact O-CB 3.35Å; N329-S332 PolarHBondContact O-N 2.82Å; N329-S332 PolarHBondContact O-OG 3.39Å; V330-S332 PolarHBondContact O-N 3.29Å; S332-N334 PolarHBondContact OG-N 2.84Å
333N87.5Confident90.7Very high91 Ų9128.7 Ų28.749%0.48715%0.151SC..SBendtrans-95.420.9168.865.7-18.5000113.6D480 T482N333-D480 HydrophobicContact CB-CB 4.05Å; N333-T482 WeakPolarHBondContact O-CG2 3.42Å
334N88.8Confident90.7Very high57 Ų5731.7 Ų31.731%0.30516%0.164SC..  trans-120.351.7177.7-62.9-52.3000110.8N329 S332N329-N334 VanDerWaalsContact CG-O 3.28Å; S332-N334 PolarHBondContact OG-N 2.84Å
335L93.5Very high90.6Very high35 Ų3537.4 Ų37.418%0.18318%0.183CC..EExtended strand (participates in β ladder)trans-76.2148.8-178.3-62.3176.5000111.7N329 N442 D480 I481 T482 T483N329-L335 VanDerWaalsContact O-CD2 3.3Å; N329-L335 WeakPolarHBondContact O-CD2 3.36Å; L335-N442 HydrophobicContact CB-CB 4.45Å; L335-N442 HydrophobicContact CD2-CB 3.98Å; L335-D480 PolarHBondContact N-O 2.85Å; L335-I481 HydrophobicContact CB-CB 4.49Å; L335-I481 HydrophobicContact CB-CG1 4.17Å; L335-I481 CarbonylContact O-C 3.48Å; L335-I481 WeakPolarHBondContact O-CA 3.3Å; L335-I481 WeakPolarHBondContact O-CG2 3.39Å; L335-T482 PolarHBondContact O-N 2.94Å; L335-T482 PolarHBondContact O-OG1 3.05Å; L335-T483 PolarHBondContact O-N 3.2Å
336N94.3Very high90.5Very high14 Ų1434.5 Ų34.58%0.07517%0.168CC..EExtended strand (participates in β ladder)trans-110.5127.8176.9-70.9-19.7000111.2G440 N442 V443 T483N336-G440 WeakPolarHBondContact CB-O 3.41Å; N336-G440 PolarHBondContact ND2-O 2.92Å; N336-N442 PolarHBondContact N-OD1 3.47Å; N336-N442 WeakPolarHBondContact O-CA 3.48Å; N336-N442 PolarHBondContact O-N 3.19Å; N336-V443 PolarHBondContact O-N 3.42Å; N336-T483 VanDerWaalsContact OD1-CB 3.28Å; N336-T483 WeakPolarHBondContact OD1-CB 3.3Å; N336-T483 PolarHBondContact OD1-OG1 3.12Å
337G95Very high90.1Very high2 Ų238.9 Ų38.92%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-107.3144.6176.800000112.9V443 T483 S485G337-V443 CarbonylContact C-O 3.2Å; G337-V443 VanDerWaalsContact CA-O 3.28Å; G337-V443 WeakPolarHBondContact CA-O 3.2Å; G337-T483 PolarHBondContact N-O 3.4Å; G337-S485 PolarHBondContact O-N 2.89Å
338L95.4Very high89.4Confident1 Ų139.7 Ų39.71%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-124.2127.3169.5173.864.6000109.8F301 I302 I340 I441 V443 V444 F445 S485 L535F301-L338 HydrophobicContact CD1-CD1 3.83Å; F301-L338 HydrophobicContact CD1-CD2 3.91Å; F301-L338 HydrophobicContact CD1-CG 4.46Å; F301-L338 HydrophobicContact CE1-CD1 3.87Å; F301-L338 HydrophobicContact CE1-CD2 4.23Å; F301-L338 HydrophobicContact CE1-CG 4.48Å; I302-L338 HydrophobicContact CD1-CD2 3.97Å; I302-L338 HydrophobicContact CG1-CD2 3.73Å; L338-I340 HydrophobicContact CD2-CG2 4.03Å; L338-I340 HydrophobicContact CG-CG2 4.01Å; L338-I441 HydrophobicContact CB-CG2 3.82Å; L338-I441 HydrophobicContact CD2-CD1 4.15Å; L338-I441 HydrophobicContact CD2-CG2 4.43Å; L338-V443 PolarHBondContact N-O 3.4Å; L338-V444 HydrophobicContact CB-CG2 4.47Å; L338-V444 CarbonylContact O-C 3.51Å; L338-V444 VanDerWaalsContact O-CA 3.31Å; L338-V444 WeakPolarHBondContact O-CA 3.42Å; L338-F445 PolarHBondContact O-N 2.91Å; L338-S485 CarbonylContact C-O 3.49Å; L338-S485 WeakPolarHBondContact CA-O 3.37Å; L338-L535 HydrophobicContact CD1-CD1 3.98Å
339M95.4Very high88.6Confident2 Ų244.9 Ų44.91%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-93.7129.8169.6-173-173.2178.700109.3L341 F445 V447 I469 S485 L486 P487 L490M339-L341 HydrophobicContact CE-CD2 4.23Å; M339-F445 CarbonylContact C-O 3.58Å; M339-F445 WeakPolarHBondContact CA-O 3.47Å; M339-V447 HydrophobicContact CE-CB 4.09Å; M339-V447 HydrophobicContact CE-CG1 4.37Å; M339-V447 HydrophobicContact CE-CG2 3.52Å; M339-V447 HydrophobicContact CG-CG2 4Å; M339-I469 HydrophobicContact CE-CG1 4.37Å; M339-S485 PolarHBondContact N-O 2.87Å; M339-L486 HydrophobicContact CB-CB 3.76Å; M339-L486 HydrophobicContact CG-CB 4.31Å; M339-L486 HydrophobicContact SD-CB 3.67Å; M339-L486 HydrophobicContact SD-CD1 4.3Å; M339-P487 WeakPolarHBondContact O-CD 3.43Å; M339-L490 HydrophobicContact CE-CD1 4.25Å; M339-L490 HydrophobicContact CE-CD2 3.58Å; M339-L490 HydrophobicContact SD-CD2 3.85Å
340I93.8Very high88.1Confident0 Ų054.3 Ų54.30%025%0.251CS..EExtended strand (participates in β ladder)trans-126.3153170.461.1172.1000110I302 L338 V342 I352 L356 V444 F445 Q446 V447I302-I340 HydrophobicContact CD1-CG2 4.25Å; L338-I340 HydrophobicContact CD2-CG2 4.03Å; L338-I340 HydrophobicContact CG-CG2 4.01Å; I340-V342 HydrophobicContact CD1-CG1 3.99Å; I340-V342 HydrophobicContact CG1-CG1 4.05Å; I340-I352 HydrophobicContact CB-CD1 4Å; I340-I352 HydrophobicContact CD1-CG1 4.4Å; I340-I352 HydrophobicContact CD1-CG2 4.34Å; I340-I352 HydrophobicContact CG2-CD1 3.67Å; I340-I352 HydrophobicContact CG2-CG1 4.33Å; I340-L356 HydrophobicContact CD1-CD2 3.9Å; I340-V444 HydrophobicContact CD1-CG1 3.9Å; I340-V444 HydrophobicContact CG1-CG1 3.93Å; I340-F445 PolarHBondContact N-O 2.86Å; I340-Q446 HydrophobicContact CD1-CG 4.1Å; I340-Q446 HydrophobicContact CG1-CB 4.2Å; I340-Q446 HydrophobicContact CG1-CG 4.11Å; I340-V447 PolarHBondContact O-N 3.11Å
341L92Very high87.8Confident15 Ų1556.2 Ų56.28%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-99.7136.2176.8-55.4-176.5000109.6M339 I352 V447 I449 P487 L490M339-L341 HydrophobicContact CE-CD2 4.23Å; L341-I352 VanDerWaalsContact O-CG2 3.23Å; L341-I352 WeakPolarHBondContact O-CG2 3.42Å; L341-V447 HydrophobicContact CD2-CB 4.03Å; L341-V447 HydrophobicContact CD2-CG1 4.46Å; L341-I449 HydrophobicContact CB-CD1 4.23Å; L341-I449 HydrophobicContact CD1-CD1 3.61Å; L341-I449 HydrophobicContact CD2-CD1 3.58Å; L341-I449 HydrophobicContact CD2-CG1 4.23Å; L341-I449 HydrophobicContact CG-CD1 3.98Å; L341-P487 HydrophobicContact CG-CG 4.32Å; L341-L490 HydrophobicContact CD1-CB 4.36Å; L341-L490 HydrophobicContact CD2-CD2 4.19Å
342V91.2Very high87.7Confident8 Ų854.5 Ų54.55%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-142.6158.9-170.7-62.30000112.7I340 I352 K353 Q446 V447 V448 I449I340-V342 HydrophobicContact CD1-CG1 3.99Å; I340-V342 HydrophobicContact CG1-CG1 4.05Å; V342-I352 HydrophobicContact CG1-CG2 4.14Å; V342-K353 HydrophobicContact CB-CD 4.36Å; V342-K353 VanDerWaalsContact CB-CE 3.46Å; V342-K353 HydrophobicContact CB-CG 4.24Å; V342-K353 HydrophobicContact CG1-CD 4.33Å; V342-K353 HydrophobicContact CG1-CG 3.72Å; V342-Q446 HydrophobicContact CG1-CB 3.95Å; V342-Q446 HydrophobicContact CG2-CB 3.74Å; V342-V447 PolarHBondContact N-O 3.22Å; V342-V448 HydrophobicContact CG2-CG2 4.08Å; V342-V448 CarbonylContact O-C 3.49Å; V342-V448 WeakPolarHBondContact O-CA 3.44Å; V342-I449 PolarHBondContact O-N 3.35Å
343D88.3Confident87.8Confident66 Ų6653 Ų5335%0.35326%0.257SS..  trans-72.6170.4169.763.4-10.2000112.7R345 K353D343-R345 VanDerWaalsContact C-N 3.26Å; D343-R345 PolarHBondContact O-N 2.93Å; D343-K353 PolarHBondContact O-NZ 3.46Å; D343-K353 IonicContact OD1-NZ 3.42Å; D343-K353 PolarHBondContact OD1-NZ 2.9Å
344K87.7Confident87.9Confident66 Ų6653.3 Ų53.329%0.28725%0.254SS..SBendtrans-62.9-27.1177.3-61.7171.4179.4154.50113.5I346 E419 P420 V448 D450K344-I346 PolarHBondContact O-N 3.09Å; K344-E419 HydrophobicContact CB-CB 4.34Å; K344-P420 WeakPolarHBondContact O-CD 3.49Å; K344-P420 VanDerWaalsContact O-CG 3.28Å; K344-P420 WeakPolarHBondContact O-CG 3.49Å; K344-V448 HydrophobicContact CB-CG1 4.39Å; K344-V448 HydrophobicContact CG-CG1 3.89Å; K344-D450 VanDerWaalsContact CE-OD1 3.29Å; K344-D450 WeakPolarHBondContact CE-OD1 3.24Å; K344-D450 VanDerWaalsContact CE-OD2 3.26Å; K344-D450 WeakPolarHBondContact CE-OD2 3.47Å; K344-D450 IonicContact NZ-OD1 3.89Å; K344-D450 PolarHBondContact NZ-OD1 3.44Å; K344-D450 IonicContact NZ-OD2 2.68Å; K344-D450 PolarHBondContact NZ-OD2 2.84Å
345R86.6Confident87.9Confident166 Ų16652.9 Ų52.963%0.62625%0.251SS*.  trans-72.5114.8-173.9-64.2174.5178.4-176.31.1111.3D343 N347 K353D343-R345 VanDerWaalsContact C-N 3.26Å; D343-R345 PolarHBondContact O-N 2.93Å; R345-N347 PolarHBondContact O-N 2.96Å; R345-N347 VanDerWaalsContact O-N 3.17Å; R345-K353 PolarHBondContact O-NZ 3.38Å
346I84.9Confident87.8Confident6 Ų651.2 Ų51.23%0.03124%0.242CC..  trans-61.9-27.8-178.8-74166.4000112.5K344 L375 I378 Q379 V382 P420 L426K344-I346 PolarHBondContact O-N 3.09Å; I346-L375 HydrophobicContact CG2-CB 4.12Å; I346-L375 HydrophobicContact CG2-CD2 4.26Å; I346-I378 HydrophobicContact CD1-CG2 4.26Å; I346-Q379 HydrophobicContact CD1-CB 4.26Å; I346-Q379 VanDerWaalsContact CD1-OE1 3.25Å; I346-V382 HydrophobicContact CD1-CB 4.42Å; I346-V382 HydrophobicContact CD1-CG2 4.13Å; I346-P420 HydrophobicContact CD1-CG 4.25Å; I346-P420 HydrophobicContact CG1-CG 4.08Å; I346-L426 HydrophobicContact CG1-CD1 4.26Å
347N82.4Confident87.6Confident93 Ų9351.1 Ų51.150%0.49724%0.243SC..SBendtrans-71.8136.9-178.7-62-19.3000113.8R345 F349R345-N347 PolarHBondContact O-N 2.96Å; R345-N347 VanDerWaalsContact O-N 3.17Å; N347-F349 VanDerWaalsContact C-N 3.34Å; N347-F349 HydrophobicContact CB-CD2 3.58Å; N347-F349 HydrophobicContact CB-CE2 3.43Å; N347-F349 VanDerWaalsContact CB-CE2 3.43Å; N347-F349 HydrophobicContact CB-CZ 4.33Å; N347-F349 PolarHBondContact O-N 3.37Å; N347-F349 VanDerWaalsContact O-N 3.08Å
348S75.9Confident87.3Confident21 Ų2154 Ų5415%0.14726%0.259CS..  trans-88.544.5-169.6-65.10000115.4K354 F371S348-K354 VanDerWaalsContact O-CA 3.3Å; S348-K354 WeakPolarHBondContact O-CA 3.38Å; S348-K354 WeakPolarHBondContact O-CB 3.34Å; S348-F371 WeakPolarHBondContact OG-CE1 3.21Å
349F72.2Confident87Confident171 Ų17154.4 Ų54.475%0.7526%0.261SS*.  trans-82-21.3-172.5-66.2-60000115.9N347N347-F349 VanDerWaalsContact C-N 3.34Å; N347-F349 HydrophobicContact CB-CD2 3.58Å; N347-F349 HydrophobicContact CB-CE2 3.43Å; N347-F349 VanDerWaalsContact CB-CE2 3.43Å; N347-F349 HydrophobicContact CB-CZ 4.33Å; N347-F349 PolarHBondContact O-N 3.37Å; N347-F349 VanDerWaalsContact O-N 3.08Å
350R80Confident86.8Confident213 Ų21354.7 Ų54.780%0.80426%0.264SS*.SBendtrans-140.9161.2-173.9-169.2172.5177.6-164.6-3.4112.1K354R350-K354 PolarHBondContact O-N 3.49Å
351G83.8Confident86.5Confident48 Ų4857.6 Ų57.650%0.49528%0.277SS..Hα-helixtrans63-147168.200000113.2K353 K354 I355G351-K353 VanDerWaalsContact C-N 3.29Å; G351-K353 PolarHBondContact O-N 3.07Å; G351-K354 PolarHBondContact O-N 2.97Å; G351-I355 PolarHBondContact O-N 2.94Å
352I86.3Confident86.2Confident34 Ų3459 Ų5917%0.17428%0.283CS..Hα-helixtrans-66.2-28.2-176.8-166.1160.1000113.3P298 I302 I340 L341 V342 K354 I355 L356P298-I352 HydrophobicContact CB-CD1 3.73Å; I302-I352 HydrophobicContact CD1-CD1 4.34Å; I302-I352 HydrophobicContact CD1-CG1 4.15Å; I340-I352 HydrophobicContact CB-CD1 4Å; I340-I352 HydrophobicContact CD1-CG1 4.4Å; I340-I352 HydrophobicContact CD1-CG2 4.34Å; I340-I352 HydrophobicContact CG2-CD1 3.67Å; I340-I352 HydrophobicContact CG2-CG1 4.33Å; L341-I352 VanDerWaalsContact O-CG2 3.23Å; L341-I352 WeakPolarHBondContact O-CG2 3.42Å; V342-I352 HydrophobicContact CG1-CG2 4.14Å; I352-K354 PolarHBondContact O-N 2.82Å; I352-I355 PolarHBondContact O-N 3.15Å; I352-L356 WeakPolarHBondContact O-CB 3.2Å; I352-L356 PolarHBondContact O-N 3.37Å
353K88.9Confident86Confident3 Ų358.9 Ų58.91%0.01328%0.283CS..Hα-helixtrans-61.8-42.8172.8-76.4-171.4177134.20112.1V342 D343 R345 G351 L356 A357V342-K353 HydrophobicContact CB-CD 4.36Å; V342-K353 VanDerWaalsContact CB-CE 3.46Å; V342-K353 HydrophobicContact CB-CG 4.24Å; V342-K353 HydrophobicContact CG1-CD 4.33Å; V342-K353 HydrophobicContact CG1-CG 3.72Å; D343-K353 PolarHBondContact O-NZ 3.46Å; D343-K353 IonicContact OD1-NZ 3.42Å; D343-K353 PolarHBondContact OD1-NZ 2.9Å; R345-K353 PolarHBondContact O-NZ 3.38Å; G351-K353 VanDerWaalsContact C-N 3.29Å; G351-K353 PolarHBondContact O-N 3.07Å; K353-L356 PolarHBondContact O-N 3.41Å; K353-A357 WeakPolarHBondContact O-CB 3.44Å; K353-A357 PolarHBondContact O-N 3.35Å
354K89.2Confident86.1Confident99 Ų9956 Ų5643%0.4327%0.268SS..Hα-helixtrans-62.5-43.9174.7-176.9176.6176.5176.90111.4S348 R350 G351 I352 L356 A357 D358S348-K354 VanDerWaalsContact O-CA 3.3Å; S348-K354 WeakPolarHBondContact O-CA 3.38Å; S348-K354 WeakPolarHBondContact O-CB 3.34Å; R350-K354 PolarHBondContact O-N 3.49Å; G351-K354 PolarHBondContact O-N 2.97Å; I352-K354 PolarHBondContact O-N 2.82Å; K354-L356 VanDerWaalsContact C-N 3.3Å; K354-L356 PolarHBondContact O-N 3.11Å; K354-A357 PolarHBondContact O-N 3.29Å; K354-D358 WeakPolarHBondContact O-CB 3.5Å; K354-D358 VanDerWaalsContact O-CG 3.27Å; K354-D358 PolarHBondContact O-N 3.29Å
355I89Confident86.3Confident48 Ų4853.2 Ų53.225%0.24626%0.256CS..Hα-helixtrans-60.2-41.8177.3-68.7173.9000111.3I302 T303 G351 I352 A359I302-I355 HydrophobicContact CB-CG2 4.27Å; I302-I355 HydrophobicContact CG2-CG2 4.21Å; T303-I355 HydrophobicContact CG2-CG2 3.47Å; T303-I355 VanDerWaalsContact CG2-CG2 3.47Å; G351-I355 PolarHBondContact O-N 2.94Å; I352-I355 PolarHBondContact O-N 3.15Å; I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.85Å; I355-A359 VanDerWaalsContact O-N 3.08Å
356L91.3Very high86.5Confident0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-63-48.4173.6179.664.4000111.3I302 I340 I352 K353 K354 A359 C360 F371 L433 V444I302-L356 HydrophobicContact CD1-CB 4.42Å; I302-L356 HydrophobicContact CD1-CD1 4.31Å; I340-L356 HydrophobicContact CD1-CD2 3.9Å; I352-L356 WeakPolarHBondContact O-CB 3.2Å; I352-L356 PolarHBondContact O-N 3.37Å; K353-L356 PolarHBondContact O-N 3.41Å; K354-L356 VanDerWaalsContact C-N 3.3Å; K354-L356 PolarHBondContact O-N 3.11Å; L356-A359 PolarHBondContact O-N 2.93Å; L356-C360 WeakPolarHBondContact O-CB 3.4Å; L356-C360 PolarHBondContact O-N 2.99Å; L356-C360 PolarHBondContact O-SG 3.05Å; L356-F371 HydrophobicContact CD2-CE2 3.81Å; L356-F371 HydrophobicContact CD2-CZ 3.72Å; L356-F371 HydrophobicContact CG-CE2 4.25Å; L356-F371 HydrophobicContact CG-CZ 4.04Å; L356-L433 HydrophobicContact CD1-CD1 3.72Å; L356-V444 HydrophobicContact CD1-CG2 4.26Å; L356-V444 HydrophobicContact CD2-CG1 3.97Å
357A90.5Very high86.8Confident11 Ų1146 Ų469%0.09123%0.229CC..Hα-helixtrans-58.1-50.717700000112K353 K354 A359 C360 E361 F371K353-A357 WeakPolarHBondContact O-CB 3.44Å; K353-A357 PolarHBondContact O-N 3.35Å; K354-A357 PolarHBondContact O-N 3.29Å; A357-A359 PolarHBondContact O-N 3.5Å; A357-C360 PolarHBondContact O-N 3.09Å; A357-E361 WeakPolarHBondContact O-CB 3.39Å; A357-E361 WeakPolarHBondContact O-CG 3.43Å; A357-E361 PolarHBondContact O-N 2.96Å; A357-F371 HydrophobicContact CB-CD1 4.1Å; A357-F371 HydrophobicContact CB-CE1 3.81Å
358D88.6Confident87.3Confident64 Ų6443.4 Ų43.434%0.34221%0.213SC..Hα-helixtrans-56.8-37.4178.1-72.8-16.8000111.4K354 Q362K354-D358 WeakPolarHBondContact O-CB 3.5Å; K354-D358 VanDerWaalsContact O-CG 3.27Å; K354-D358 PolarHBondContact O-N 3.29Å; D358-Q362 VanDerWaalsContact O-CG 3.32Å; D358-Q362 WeakPolarHBondContact O-CG 3.32Å; D358-Q362 PolarHBondContact O-N 2.9Å; D358-Q362 PolarHBondContact O-NE2 2.9Å
359A88.7Confident88.1Confident8 Ų845.5 Ų45.57%0.06623%0.227CC..Hα-helixtrans-74.4-47177.500000112.7I302 I355 L356 A357 E361 Q362 L433I302-A359 HydrophobicContact CG2-CB 3.59Å; I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.85Å; I355-A359 VanDerWaalsContact O-N 3.08Å; L356-A359 PolarHBondContact O-N 2.93Å; A357-A359 PolarHBondContact O-N 3.5Å; A359-E361 PolarHBondContact O-N 3.49Å; A359-Q362 PolarHBondContact O-N 2.81Å; A359-L433 HydrophobicContact CB-CD2 3.96Å
360C91Very high89.1Confident9 Ų939.7 Ų39.76%0.06120%0.202CC..Hα-helixtrans-58.9-30.2172.9-66.70000112L356 A357 F371 H430 N432L356-C360 WeakPolarHBondContact O-CB 3.4Å; L356-C360 PolarHBondContact O-N 2.99Å; L356-C360 PolarHBondContact O-SG 3.05Å; A357-C360 PolarHBondContact O-N 3.09Å; C360-F371 HydrophobicContact CB-CB 3.96Å; C360-F371 HydrophobicContact CB-CD1 4.48Å; C360-F371 HydrophobicContact CB-CG 4.27Å; C360-H430 PolarHBondContact SG-CE1 3.49Å; C360-H430 PolarHBondContact SG-ND1 3.24Å; C360-N432 PolarHBondContact O-ND2 3.11Å
361E88.5Confident89.7Confident60 Ų6030.5 Ų30.528%0.2817%0.168SC..Hα-helixtrans-71-37.4177.7-84.6-176-146.500112.9V143 L147 R150 K206 A357 A359 S363V143-E361 WeakPolarHBondContact CG1-O 3.28Å; L147-E361 HydrophobicContact CD1-CB 4.27Å; L147-E361 VanDerWaalsContact CD1-O 3.27Å; L147-E361 WeakPolarHBondContact CD1-O 3.37Å; L147-E361 HydrophobicContact CD2-CB 4.44Å; R150-E361 IonicContact CZ-OE2 3.98Å; R150-E361 IonicContact NH1-OE2 3.17Å; R150-E361 PolarHBondContact NH1-OE2 3.4Å; R150-E361 IonicContact NH2-OE2 3.54Å; R150-E361 PolarHBondContact NH2-OE2 2.75Å; K206-E361 WeakPolarHBondContact CE-O 3.5Å; K206-E361 PolarHBondContact NZ-O 2.82Å; A357-E361 WeakPolarHBondContact O-CB 3.39Å; A357-E361 WeakPolarHBondContact O-CG 3.43Å; A357-E361 PolarHBondContact O-N 2.96Å; A359-E361 PolarHBondContact O-N 3.49Å; E361-S363 PolarHBondContact O-N 3.02Å
362Q85.5Confident90Very high45 Ų4530.1 Ų30.121%0.2116%0.164CC..SBendtrans-55.4-25.2-170-65.8-47.8-49.300115.4V143 D358 A359V143-Q362 WeakPolarHBondContact CG1-O 3.3Å; D358-Q362 VanDerWaalsContact O-CG 3.32Å; D358-Q362 WeakPolarHBondContact O-CG 3.32Å; D358-Q362 PolarHBondContact O-N 2.9Å; D358-Q362 PolarHBondContact O-NE2 2.9Å; A359-Q362 PolarHBondContact O-N 2.81Å
363S86.4Confident90.3Very high6 Ų631.5 Ų31.54%0.04218%0.176CC..SBendtrans-142.4155.3-179.554.30000111.1E361 E365 N432E361-S363 PolarHBondContact O-N 3.02Å; S363-E365 PolarHBondContact O-N 2.95Å; S363-N432 PolarHBondContact O-ND2 2.84Å; S363-N432 WeakPolarHBondContact OG-CB 3.38Å
364T90.2Very high90.6Very high5 Ų532.2 Ų32.23%0.03118%0.18CC..  trans-60.2128.5178-56.70000110.4K206 H209 L366K206-T364 HydrophobicContact CB-CG2 4.03Å; K206-T364 HydrophobicContact CG-CG2 4.33Å; K206-T364 VanDerWaalsContact O-CG2 3.29Å; K206-T364 WeakPolarHBondContact O-CG2 3.43Å; H209-T364 HydrophobicContact CB-CG2 3.94Å; H209-T364 PolarHBondContact ND1-OG1 3.15Å; T364-L366 HydrophobicContact CG2-CD2 3.67Å; T364-L366 HydrophobicContact CG2-CG 4.29Å; T364-L366 PolarHBondContact O-N 2.84Å
365E91.6Very high90.8Very high7 Ų728.3 Ų28.33%0.03316%0.164CC..  trans-74.6117.7163.5173.546.9-118.200107.9R210 S363 H367 F368 H430 S431R210-E365 PolarHBondContact NE-O 3.26Å; R210-E365 PolarHBondContact NH2-O 3.27Å; S363-E365 PolarHBondContact O-N 2.95Å; E365-H367 PolarHBondContact OE1-N 2.8Å; E365-F368 HydrophobicContact CG-CB 4.11Å; E365-F368 WeakPolarHBondContact CG-O 3.48Å; E365-F368 WeakPolarHBondContact OE1-CD2 3.43Å; E365-F368 PolarHBondContact OE1-N 3.3Å; E365-H430 WeakPolarHBondContact OE2-CA 3.46Å; E365-S431 PolarHBondContact OE1-OG 2.87Å; E365-S431 VanDerWaalsContact OE1-OG 3.07Å; E365-S431 PolarHBondContact OE2-N 2.91Å; E365-S431 PolarHBondContact OE2-OG 3.05Å
366L91.4Very high91Very high7 Ų732.4 Ų32.44%0.03718%0.182CC..  trans-99.5-23.2-167.1-72.3173.9000113.3E136 F139 L213 T364E136-L366 HydrophobicContact CB-CD1 4.44Å; E136-L366 HydrophobicContact CG-CD1 3.95Å; F139-L366 HydrophobicContact CD2-CD2 4.35Å; L213-L366 HydrophobicContact CB-CD2 4.22Å; L213-L366 HydrophobicContact CD1-CD1 3.64Å; L213-L366 HydrophobicContact CD1-CD2 3.95Å; L213-L366 HydrophobicContact CD1-CG 4.36Å; L213-L366 HydrophobicContact CD2-CB 3.93Å; L213-L366 HydrophobicContact CD2-CD1 4.07Å; L213-L366 HydrophobicContact CD2-CD2 4.02Å; L213-L366 HydrophobicContact CD2-CG 4.22Å; L213-L366 HydrophobicContact CG-CD1 4.43Å; L213-L366 HydrophobicContact CG-CD2 4.28Å; T364-L366 HydrophobicContact CG2-CD2 3.67Å; T364-L366 HydrophobicContact CG2-CG 4.29Å; T364-L366 PolarHBondContact O-N 2.84Å
367H91.8Very high91.1Very high13 Ų1335.5 Ų35.56%0.0620%0.203CC..SBendtrans-118.2-24.9-167.9-69.2-87.6000114.1F116 F120 V330 Y331 E365 S431F116-H367 AromaticContact CE1-ND1 3.92Å; F120-H367 AromaticContact CD2-CE1 3.57Å; F120-H367 AromaticContact CE1-CE1 3.97Å; F120-H367 AromaticContact CE2-CE1 3.42Å; F120-H367 VanDerWaalsContact CE2-CE1 3.42Å; F120-H367 WeakPolarHBondContact CE2-CE1 3.5Å; F120-H367 AromaticContact CE2-NE2 3.64Å; F120-H367 AromaticContact CG-CE1 3.9Å; F120-H367 AromaticContact CZ-CE1 3.61Å; F120-H367 AromaticContact CZ-NE2 3.75Å; V330-H367 HydrophobicContact CG1-CB 4.25Å; Y331-H367 AromaticContact CE2-CE1 3.84Å; Y331-H367 AromaticContact CE2-ND1 3.29Å; Y331-H367 VanDerWaalsContact CE2-ND1 3.29Å; Y331-H367 WeakPolarHBondContact CE2-ND1 3.43Å; Y331-H367 AromaticContact CZ-ND1 3.41Å; Y331-H367 PolarHBondContact OH-ND1 2.95Å; E365-H367 PolarHBondContact OE1-N 2.8Å; H367-S431 PolarHBondContact CD2-OG 3.17Å
368F93.1Very high91.2Very high39 Ų3936.1 Ų36.117%0.17121%0.205CC..SBendtrans-120.2170.7-176.6-54.7-65.2000112.1R210 E365 K429 H430R210-F368 PolarHBondContact NH1-O 3.37Å; R210-F368 PolarHBondContact NH2-O 2.85Å; E365-F368 HydrophobicContact CG-CB 4.11Å; E365-F368 WeakPolarHBondContact CG-O 3.48Å; E365-F368 WeakPolarHBondContact OE1-CD2 3.43Å; E365-F368 PolarHBondContact OE1-N 3.3Å; F368-K429 HydrophobicContact CB-CB 4.36Å; F368-K429 HydrophobicContact CD1-CB 3.9Å; F368-K429 HydrophobicContact CD1-CD 4.23Å; F368-K429 HydrophobicContact CD2-CB 4.02Å; F368-K429 HydrophobicContact CE1-CB 4.18Å; F368-K429 HydrophobicContact CE1-CD 4.25Å; F368-K429 HydrophobicContact CE2-CB 4.29Å; F368-K429 HydrophobicContact CG-CB 3.81Å; F368-K429 HydrophobicContact CZ-CB 4.37Å; F368-H430 WeakPolarHBondContact CE2-O 3.23Å
369P92.6Very high91.3Very high65 Ų6534.7 Ų34.742%0.42220%0.196SC..  trans-60.2151.8166.6-21.534.4000111Q374P369-Q374 HydrophobicContact CB-CG 4.05Å; P369-Q374 PolarHBondContact O-NE2 3.14Å
370E92.3Very high91.5Very high49 Ų4939.9 Ų39.923%0.22922%0.219CC..  trans-63156.2176.8-60.4-160.4163.100111.7K206 G372 S373 Q374K206-E370 WeakPolarHBondContact CB-OE1 3.17Å; K206-E370 WeakPolarHBondContact CD-OE1 3.47Å; E370-G372 VanDerWaalsContact C-N 3.28Å; E370-G372 PolarHBondContact O-N 2.92Å; E370-S373 PolarHBondContact O-N 3.32Å; E370-S373 VanDerWaalsContact O-N 3.1Å; E370-Q374 PolarHBondContact O-N 2.86Å
371F92.6Very high91.5Very high21 Ų2141.8 Ų41.89%0.09223%0.23CC..Hα-helixtrans-55.2-40.3-173.8-178.6-120.8000113.1S348 L356 A357 C360 Q374 L375 T428 H430S348-F371 WeakPolarHBondContact OG-CE1 3.21Å; L356-F371 HydrophobicContact CD2-CE2 3.81Å; L356-F371 HydrophobicContact CD2-CZ 3.72Å; L356-F371 HydrophobicContact CG-CE2 4.25Å; L356-F371 HydrophobicContact CG-CZ 4.04Å; A357-F371 HydrophobicContact CB-CD1 4.1Å; A357-F371 HydrophobicContact CB-CE1 3.81Å; C360-F371 HydrophobicContact CB-CB 3.96Å; C360-F371 HydrophobicContact CB-CD1 4.48Å; C360-F371 HydrophobicContact CB-CG 4.27Å; F371-Q374 PolarHBondContact O-N 3.42Å; F371-L375 HydrophobicContact CD1-CD1 4.19Å; F371-L375 HydrophobicContact CE1-CD1 3.72Å; F371-L375 HydrophobicContact CE1-CG 4.37Å; F371-L375 HydrophobicContact CE2-CD1 4.45Å; F371-L375 HydrophobicContact CE2-CD2 4.15Å; F371-L375 HydrophobicContact CE2-CG 4.26Å; F371-L375 HydrophobicContact CZ-CD1 3.88Å; F371-L375 HydrophobicContact CZ-CD2 4.11Å; F371-L375 HydrophobicContact CZ-CG 4.16Å; F371-L375 WeakPolarHBondContact O-CG 3.14Å; F371-L375 PolarHBondContact O-N 3.49Å; F371-T428 HydrophobicContact CD2-CG2 4.24Å; F371-T428 HydrophobicContact CE2-CG2 3.98Å; F371-H430 AromaticContact CD2-CE1 3.66Å
372G91.1Very high91.5Very high40 Ų4039.8 Ų39.841%0.41222%0.222SC..Hα-helixtrans-57.2-52.7174.400000112.8E370 Q374 L375 E376E370-G372 VanDerWaalsContact C-N 3.28Å; E370-G372 PolarHBondContact O-N 2.92Å; G372-Q374 PolarHBondContact O-N 3.35Å; G372-L375 WeakPolarHBondContact O-CB 3.32Å; G372-L375 PolarHBondContact O-N 3.22Å; G372-E376 WeakPolarHBondContact O-CG 3.35Å; G372-E376 PolarHBondContact O-N 3.3Å
373S92.3Very high91.7Very high62 Ų6240.2 Ų40.243%0.43423%0.226SC..Hα-helixtrans-63.1-28.5177.7-49.90000113.4E370 S377E370-S373 PolarHBondContact O-N 3.32Å; E370-S373 VanDerWaalsContact O-N 3.1Å; S373-S377 PolarHBondContact O-N 3.4Å; S373-S377 VanDerWaalsContact O-N 3.13Å
374Q95.1Very high91.7Very high18 Ų1847.7 Ų47.78%0.08425%0.253CS..Hα-helixtrans-69.2-41.9171.5-65.7-173.163.600111.6P369 E370 F371 G372 S377 I378 T428 K429P369-Q374 HydrophobicContact CB-CG 4.05Å; P369-Q374 PolarHBondContact O-NE2 3.14Å; E370-Q374 PolarHBondContact O-N 2.86Å; F371-Q374 PolarHBondContact O-N 3.42Å; G372-Q374 PolarHBondContact O-N 3.35Å; Q374-S377 PolarHBondContact O-N 2.82Å; Q374-I378 WeakPolarHBondContact O-CB 3.48Å; Q374-I378 WeakPolarHBondContact O-CD1 3.26Å; Q374-I378 VanDerWaalsContact O-CG1 3.23Å; Q374-I378 WeakPolarHBondContact O-CG1 3.44Å; Q374-I378 PolarHBondContact O-N 2.68Å; Q374-T428 HydrophobicContact CB-CG2 4.2Å; Q374-K429 PolarHBondContact NE2-O 2.86Å; Q374-K429 PolarHBondContact OE1-O 3.46Å
375L93.2Very high91.4Very high18 Ų1852.5 Ų52.59%0.09428%0.278CS..Hα-helixtrans-64.3-37.9174.6-65.6178.8000112.3I346 F371 G372 I378 Q379I346-L375 HydrophobicContact CG2-CB 4.12Å; I346-L375 HydrophobicContact CG2-CD2 4.26Å; F371-L375 HydrophobicContact CD1-CD1 4.19Å; F371-L375 HydrophobicContact CE1-CD1 3.72Å; F371-L375 HydrophobicContact CE1-CG 4.37Å; F371-L375 HydrophobicContact CE2-CD1 4.45Å; F371-L375 HydrophobicContact CE2-CD2 4.15Å; F371-L375 HydrophobicContact CE2-CG 4.26Å; F371-L375 HydrophobicContact CZ-CD1 3.88Å; F371-L375 HydrophobicContact CZ-CD2 4.11Å; F371-L375 HydrophobicContact CZ-CG 4.16Å; F371-L375 WeakPolarHBondContact O-CG 3.14Å; F371-L375 PolarHBondContact O-N 3.49Å; G372-L375 WeakPolarHBondContact O-CB 3.32Å; G372-L375 PolarHBondContact O-N 3.22Å; L375-I378 HydrophobicContact CD2-CD1 4.4Å; L375-I378 PolarHBondContact O-N 3.14Å; L375-Q379 WeakPolarHBondContact O-CB 3.32Å; L375-Q379 PolarHBondContact O-N 2.96Å
376E92.5Very high90.5Very high134 Ų13453.2 Ų53.263%0.62629%0.287SS*.Hα-helixtrans-61.2-46.9173.9-70.3168.7173.100111.8G372 I378 Q379 E380G372-E376 WeakPolarHBondContact O-CG 3.35Å; G372-E376 PolarHBondContact O-N 3.3Å; E376-I378 VanDerWaalsContact C-N 3.31Å; E376-I378 PolarHBondContact O-N 2.96Å; E376-Q379 WeakPolarHBondContact O-CB 3.34Å; E376-Q379 PolarHBondContact O-N 3.35Å; E376-Q379 VanDerWaalsContact O-N 3.16Å; E376-E380 PolarHBondContact O-N 2.96Å
377S93.5Very high89.1Confident64 Ų6455.8 Ų55.845%0.44831%0.306SS..Hα-helixtrans-66.3-32.2176.9-172.60000113.1S373 Q374 T381S373-S377 PolarHBondContact O-N 3.4Å; S373-S377 VanDerWaalsContact O-N 3.13Å; Q374-S377 PolarHBondContact O-N 2.82Å; S377-T381 WeakPolarHBondContact O-CB 3.48Å; S377-T381 PolarHBondContact O-N 3.34Å; S377-T381 PolarHBondContact O-OG1 2.9Å
378I93.1Very high87.5Confident24 Ų2461.8 Ų61.812%0.12333%0.328CS..Hα-helixtrans-65.7-46.4170.1-71.9161.6000110.2I346 Q374 L375 E376 E380 T381 V382 L426 T428I346-I378 HydrophobicContact CD1-CG2 4.26Å; Q374-I378 WeakPolarHBondContact O-CB 3.48Å; Q374-I378 WeakPolarHBondContact O-CD1 3.26Å; Q374-I378 VanDerWaalsContact O-CG1 3.23Å; Q374-I378 WeakPolarHBondContact O-CG1 3.44Å; Q374-I378 PolarHBondContact O-N 2.68Å; L375-I378 HydrophobicContact CD2-CD1 4.4Å; L375-I378 PolarHBondContact O-N 3.14Å; E376-I378 VanDerWaalsContact C-N 3.31Å; E376-I378 PolarHBondContact O-N 2.96Å; I378-E380 PolarHBondContact O-N 3.2Å; I378-T381 CarbonylContact O-C 3.57Å; I378-T381 WeakPolarHBondContact O-CA 3.39Å; I378-T381 WeakPolarHBondContact O-CB 3.24Å; I378-T381 PolarHBondContact O-N 3.26Å; I378-T381 VanDerWaalsContact O-N 3.11Å; I378-V382 HydrophobicContact CG2-CG2 4.47Å; I378-V382 WeakPolarHBondContact O-CG2 3.46Å; I378-V382 PolarHBondContact O-N 3.18Å; I378-L426 HydrophobicContact CD1-CB 4.38Å; I378-L426 HydrophobicContact CG2-CB 4.36Å; I378-L426 HydrophobicContact CG2-CD1 4.28Å; I378-L426 HydrophobicContact CG2-CD2 3.87Å; I378-L426 HydrophobicContact CG2-CG 4.39Å; I378-T428 HydrophobicContact CD1-CG2 3.66Å
379Q91.5Very high85.6Confident34 Ų3466.5 Ų66.516%0.15935%0.35CS..Hα-helixtrans-62.3-41.7178.6-17563.582.100112.1I346 L375 E376 T381 V382 N383 C417 Y418I346-Q379 HydrophobicContact CD1-CB 4.26Å; I346-Q379 VanDerWaalsContact CD1-OE1 3.25Å; L375-Q379 WeakPolarHBondContact O-CB 3.32Å; L375-Q379 PolarHBondContact O-N 2.96Å; E376-Q379 WeakPolarHBondContact O-CB 3.34Å; E376-Q379 PolarHBondContact O-N 3.35Å; E376-Q379 VanDerWaalsContact O-N 3.16Å; Q379-T381 VanDerWaalsContact C-N 3.3Å; Q379-T381 PolarHBondContact O-N 3.33Å; Q379-V382 PolarHBondContact O-N 3.47Å; Q379-N383 PolarHBondContact NE2-OD1 3.49Å; Q379-N383 VanDerWaalsContact NE2-OD1 3.11Å; Q379-N383 WeakPolarHBondContact O-CB 3.47Å; Q379-N383 PolarHBondContact O-N 3.08Å; Q379-N383 PolarHBondContact O-ND2 3.02Å; Q379-C417 PolarHBondContact NE2-SG 3.04Å; Q379-C417 VanDerWaalsContact NE2-SG 3.43Å; Q379-Y418 PolarHBondContact NE2-O 2.71Å
380E91.4Very high83Confident118 Ų11870.7 Ų70.755%0.55137%0.369SS*.Hα-helixtrans-59.7-42172.3-167.5-159.2154.700111.3E376 I378 N383 R384E376-E380 PolarHBondContact O-N 2.96Å; I378-E380 PolarHBondContact O-N 3.2Å; E380-N383 PolarHBondContact O-N 3.42Å; E380-R384 WeakPolarHBondContact O-CB 3.29Å; E380-R384 PolarHBondContact O-N 2.95Å; E380-R384 IonicContact OE1-NH1 3.62Å
381T90.9Very high80.5Confident48 Ų4874.4 Ų74.429%0.29440%0.395SS..Hα-helixtrans-66.5-41177.7-65.50000112.3S377 I378 Q379 R384 L385S377-T381 WeakPolarHBondContact O-CB 3.48Å; S377-T381 PolarHBondContact O-N 3.34Å; S377-T381 PolarHBondContact O-OG1 2.9Å; I378-T381 CarbonylContact O-C 3.57Å; I378-T381 WeakPolarHBondContact O-CA 3.39Å; I378-T381 WeakPolarHBondContact O-CB 3.24Å; I378-T381 PolarHBondContact O-N 3.26Å; I378-T381 VanDerWaalsContact O-N 3.11Å; Q379-T381 VanDerWaalsContact C-N 3.3Å; Q379-T381 PolarHBondContact O-N 3.33Å; T381-R384 PolarHBondContact O-N 3.45Å; T381-R384 PolarHBondContact OG1-NH2 3.21Å; T381-L385 HydrophobicContact CG2-CD1 4.29Å; T381-L385 WeakPolarHBondContact O-CG 3.21Å; T381-L385 PolarHBondContact O-N 3.46Å; T381-L385 VanDerWaalsContact O-N 3.09Å
382V89.4Confident78Confident19 Ų1981.8 Ų81.812%0.11543%0.43CS..Hα-helixtrans-64.8-43.4174173.60000110.6I346 I378 Q379 R384 L385 G386 Y418 P420I346-V382 HydrophobicContact CD1-CB 4.42Å; I346-V382 HydrophobicContact CD1-CG2 4.13Å; I378-V382 HydrophobicContact CG2-CG2 4.47Å; I378-V382 WeakPolarHBondContact O-CG2 3.46Å; I378-V382 PolarHBondContact O-N 3.18Å; Q379-V382 PolarHBondContact O-N 3.47Å; V382-R384 VanDerWaalsContact C-N 3.31Å; V382-R384 PolarHBondContact O-N 3.26Å; V382-L385 PolarHBondContact O-N 3.12Å; V382-L385 VanDerWaalsContact O-N 3.11Å; V382-G386 PolarHBondContact O-N 3.32Å; V382-Y418 VanDerWaalsContact CG1-O 3.28Å; V382-Y418 WeakPolarHBondContact CG1-O 3.48Å; V382-P420 HydrophobicContact CG2-CB 4.46Å
383N89Confident75.3Confident53 Ų5384.8 Ų84.828%0.28345%0.445SS..Hα-helixtrans-61.7-37.6176-69.1-15000112.5Q379 E380 L385 G386 Y418Q379-N383 PolarHBondContact NE2-OD1 3.49Å; Q379-N383 VanDerWaalsContact NE2-OD1 3.11Å; Q379-N383 WeakPolarHBondContact O-CB 3.47Å; Q379-N383 PolarHBondContact O-N 3.08Å; Q379-N383 PolarHBondContact O-ND2 3.02Å; E380-N383 PolarHBondContact O-N 3.42Å; N383-L385 VanDerWaalsContact C-N 3.34Å; N383-G386 PolarHBondContact O-N 3.49Å; N383-Y418 HydrophobicContact CB-CD2 4.42Å; N383-Y418 PolarHBondContact OD1-N 2.99Å
384R86.9Confident72.3Confident163 Ų16390.1 Ų90.162%0.61547%0.468SS*.Hα-helixtrans-68.6-29.2174.8-177.7173.962.3-114-6.3113.3E380 T381 V382E380-R384 WeakPolarHBondContact O-CB 3.29Å; E380-R384 PolarHBondContact O-N 2.95Å; E380-R384 IonicContact OE1-NH1 3.62Å; T381-R384 PolarHBondContact O-N 3.45Å; T381-R384 PolarHBondContact OG1-NH2 3.21Å; V382-R384 VanDerWaalsContact C-N 3.31Å; V382-R384 PolarHBondContact O-N 3.26Å
385L84.7Confident69.1Low106 Ų10692.3 Ų92.356%0.55550%0.496SS*.Hα-helixtrans-80.7-23.9176.1-69.6170.4000112.9T381 V382 N383T381-L385 HydrophobicContact CG2-CD1 4.29Å; T381-L385 WeakPolarHBondContact O-CG 3.21Å; T381-L385 PolarHBondContact O-N 3.46Å; T381-L385 VanDerWaalsContact O-N 3.09Å; V382-L385 PolarHBondContact O-N 3.12Å; V382-L385 VanDerWaalsContact O-N 3.11Å; N383-L385 VanDerWaalsContact C-N 3.34Å
386G72.7Confident66.2Low22 Ų2298.7 Ų98.723%0.22753%0.525CS..  trans64.5-171.5175.300000114.7V382 N383 R388V382-G386 PolarHBondContact O-N 3.32Å; N383-G386 PolarHBondContact O-N 3.49Å; G386-R388 PolarHBondContact O-N 3.39Å
387S61.6Low63.1Low61 Ų6197.8 Ų97.843%0.42753%0.533SS..  trans-70.487.8178.2-94.40000112.3Q389 Y418S387-Q389 PolarHBondContact O-N 3Å; S387-Y418 WeakPolarHBondContact OG-CD1 3.48Å; S387-Y418 VanDerWaalsContact OG-CE1 3.3Å; S387-Y418 WeakPolarHBondContact OG-CE1 3.49Å
388R58.9Low60.2Low139 Ų139102.4 Ų102.453%0.52555%0.545SS..G310 helixtrans-63.3-3.2169.4-62.9172.370-162.81.7113.8G386 L390 T391 I421 D424G386-R388 PolarHBondContact O-N 3.39Å; R388-L390 VanDerWaalsContact C-N 3.3Å; R388-L390 PolarHBondContact O-N 3.43Å; R388-T391 PolarHBondContact O-OG1 2.88Å; R388-I421 HydrophobicContact CB-CD1 3.94Å; R388-D424 IonicContact NH1-OD1 3.74Å; R388-D424 PolarHBondContact NH1-OD1 3.06Å
389Q51.3Low57.4Low138 Ų138107.4 Ų107.465%0.64557%0.571SS**G310 helixtrans-70.4-14.4-177.4-67.3-177.1-6.800115S387 T391 I421S387-Q389 PolarHBondContact O-N 3Å; Q389-T391 VanDerWaalsContact C-N 3.27Å; Q389-T391 PolarHBondContact O-N 3.49Å; Q389-I421 HydrophobicContact CG-CD1 3.74Å; Q389-I421 HydrophobicContact CG-CG1 4.37Å
390L39.8Very low54.7Low153 Ų153115.5 Ų115.580%0.80161%0.606SS**G310 helixtrans-76.3-1.7-173.5-74.7171000115.5R388R388-L390 VanDerWaalsContact C-N 3.3Å; R388-L390 PolarHBondContact O-N 3.43Å
391T39.8Very low51.9Low127 Ų127115.8 Ų115.878%0.77961%0.611SS**G310 helixtrans-113.73.6-170.950.50000116.4R388 Q389R388-T391 PolarHBondContact O-OG1 2.88Å; Q389-T391 VanDerWaalsContact C-N 3.27Å; Q389-T391 PolarHBondContact O-N 3.49Å
392E39.3Very low49.1Very low176 Ų176120.3 Ų120.382%0.82263%0.634SS**  trans-113.40.8-177.3-67.7-163.2155.800116.1N394E392-N394 PolarHBondContact O-N 3.43Å; E392-N394 VanDerWaalsContact O-N 3.13Å
393S33.5Very low46.5Very low104 Ų104126.8 Ų126.873%0.72767%0.668SS**  trans-84.782.8173.167.50000112.7G395S393-G395 PolarHBondContact O-N 2.66Å
394N30.1Very low44Very low173 Ų173131.5 Ų131.593%0.92569%0.692SS**  trans-68.2108.9160.3-85.8-42000110E392E392-N394 PolarHBondContact O-N 3.43Å; E392-N394 VanDerWaalsContact O-N 3.13Å
395G28.7Very low41.5Very low65 Ų65129 Ų12967%0.6770%0.698SS**SBendtrans131.812516600000115.3S393S393-G395 PolarHBondContact O-N 2.66Å
396E30.6Very low39Very low152 Ų152129.5 Ų129.571%0.7171%0.711SS**  trans58.783.4174.1-64.1-159.9-176.800117.8K398E396-K398 PolarHBondContact O-N 2.88Å; E396-K398 IonicContact OE2-NZ 3.98Å; E396-K398 PolarHBondContact OE2-NZ 3.25Å
397S29Very low37Very low114 Ų114132 Ų13280%0.79774%0.736SS**  trans-53.795.9151.853.50000112
398K32.1Very low35.8Very low161 Ų161136.8 Ų136.870%0.776%0.755SS**  trans-99.278.8161.1-84.8178.6176.3119.30110.2E396 K400E396-K398 PolarHBondContact O-N 2.88Å; E396-K398 IonicContact OE2-NZ 3.98Å; E396-K398 PolarHBondContact OE2-NZ 3.25Å; K398-K400 PolarHBondContact O-N 3.26Å
399I33.8Very low34.4Very low130 Ų130135.2 Ų135.267%0.66777%0.765SS**  trans-56.7107.1160.8-61.6169000107.3N401I399-N401 VanDerWaalsContact CG2-OD1 3.24Å; I399-N401 WeakPolarHBondContact CG2-OD1 3.37Å
400K35.6Very low33.3Very low204 Ų204135 Ų13589%0.88777%0.773SS**  trans-109.189.7160.7-85-165.4171.4-171.60108.3K398K398-K400 PolarHBondContact O-N 3.26Å
401N32.3Very low33.1Very low123 Ų123133.7 Ų133.766%0.65877%0.772SS**  trans-65.6153.6167.3-67.5-24.3000110.2I399I399-N401 VanDerWaalsContact CG2-OD1 3.24Å; I399-N401 WeakPolarHBondContact CG2-OD1 3.37Å
402N33Very low32.6Very low144 Ų144137.9 Ų137.977%0.7778%0.779SS**  trans62.6108.4163.7-57.7-5.1000116.6
403D34.8Very low32.3Very low155 Ų155134.4 Ų134.483%0.82977%0.774SS**  -133.3125.1115.4-142.5-18.3000110.7
404L34.9Very low32.6Very low152 Ų152138.5 Ų138.580%0.79678%0.779SS**  trans-105.597179.2-110.879.2000108.1
405C35.7Very low33.4Very low110 Ų110135.6 Ų135.674%0.74377%0.772SS**  trans-149.995.1162.9-84.30000106.7
406S32.5Very low34.7Very low117 Ų117138.7 Ų138.782%0.81877%0.773SS**  62.5119.973.798.30000113.5
407G29Very low36.5Very low73 Ų73134.9 Ų134.975%0.75376%0.763SS**  trans110.7120.8166.100000116.8
408I36.2Very low39.1Very low162 Ų162133.5 Ų133.583%0.83174%0.741SS**  trans77.186.2153.3-47.3174.6000116.9
409S29.6Very low41.7Very low106 Ų106130.9 Ų130.974%0.74173%0.731SS**  trans-10.8125.1139.653.30000118.4
410T30.1Very low44.3Very low133 Ų133124.9 Ų124.982%0.81670%0.7SS**  trans-164.9133.6130.417.90000111.9
411V33.6Very low46.8Very low127 Ų127117.6 Ų117.677%0.7767%0.671SS**  trans55.8116.2160.6-170.70000118.2S413V411-S413 PolarHBondContact O-N 3.44Å
412K31Very low49.4Very low214 Ų214113.1 Ų113.193%0.9365%0.646SS**  trans-6295.1163.5-67.3178.3177.2-179.50109.9K414K412-K414 PolarHBondContact O-N 3.34Å
413S32.3Very low52.1Low103 Ų103106.9 Ų106.972%0.7262%0.616SS**  trans-79.8114.4-178.6550000111.6V411V411-S413 PolarHBondContact O-N 3.44Å
414K40.3Very low54.8Low191 Ų191101.5 Ų101.583%0.8359%0.587SS**  trans50.6121.9160.8-64.4179.6177.7178.70117.3K412 D416K412-K414 PolarHBondContact O-N 3.34Å; K414-D416 PolarHBondContact O-N 3.24Å; K414-D416 VanDerWaalsContact O-N 3.12Å
415S45.3Very low57.7Low112 Ų11296 Ų9678%0.78356%0.56SS**  trans-53.9116.7160.1178.60000109.4C417S415-C417 PolarHBondContact O-N 2.88Å
416D56.4Low60.5Low129 Ų12991.3 Ų91.369%0.6953%0.527SS*.  trans-63.1107.7175.2-76.1-39.9000109.2K414K414-D416 PolarHBondContact O-N 3.24Å; K414-D416 VanDerWaalsContact O-N 3.12Å
417C69.7Low63.5Low73 Ų7389 Ų8949%0.49351%0.505SS..  trans-85.7111.5175.3-152.50000107.1Q379 S415Q379-C417 PolarHBondContact NE2-SG 3.04Å; Q379-C417 VanDerWaalsContact NE2-SG 3.43Å; S415-C417 PolarHBondContact O-N 2.88Å
418Y82.4Confident66.7Low84 Ų8485.6 Ų85.633%0.32947%0.469SS..PPolyproline II helixtrans-74.3136.3-175.8-69-89.8000110.3Q379 V382 N383 S387Q379-Y418 PolarHBondContact NE2-O 2.71Å; V382-Y418 VanDerWaalsContact CG1-O 3.28Å; V382-Y418 WeakPolarHBondContact CG1-O 3.48Å; N383-Y418 HydrophobicContact CB-CD2 4.42Å; N383-Y418 PolarHBondContact OD1-N 2.99Å; S387-Y418 WeakPolarHBondContact OG-CD1 3.48Å; S387-Y418 VanDerWaalsContact OG-CE1 3.3Å; S387-Y418 WeakPolarHBondContact OG-CE1 3.49Å
419E86.5Confident69.5Low107 Ų10782.5 Ų82.550%0.545%0.45SS..PPolyproline II helixtrans-93.4140.9171.3-64.6-166.5154.400110.6K344K344-E419 HydrophobicContact CB-CB 4.34Å
420P88.9Confident72.5Confident3 Ų377.6 Ų77.62%0.01942%0.415CS..PPolyproline II helixtrans-63.7154.4172.228.2-37.6000112.7K344 I346 V382 D424 L426 V448K344-P420 WeakPolarHBondContact O-CD 3.49Å; K344-P420 VanDerWaalsContact O-CG 3.28Å; K344-P420 WeakPolarHBondContact O-CG 3.49Å; I346-P420 HydrophobicContact CD1-CG 4.25Å; I346-P420 HydrophobicContact CG1-CG 4.08Å; V382-P420 HydrophobicContact CG2-CB 4.46Å; P420-D424 HydrophobicContact CB-CB 4.13Å; P420-L426 HydrophobicContact CB-CD2 4.19Å; P420-L426 HydrophobicContact CG-CD1 4.49Å; P420-L426 HydrophobicContact CG-CD2 4.33Å; P420-V448 HydrophobicContact CB-CG2 4.04Å; P420-V448 HydrophobicContact CG-CG2 3.93Å
421I87.4Confident75.5Confident52 Ų5271.3 Ų71.327%0.26738%0.377SS..PPolyproline II helixtrans-98.9158.6-169.7-57.8170.5000110.3R388 Q389 G423 D424 V448R388-I421 HydrophobicContact CB-CD1 3.94Å; Q389-I421 HydrophobicContact CG-CD1 3.74Å; Q389-I421 HydrophobicContact CG-CG1 4.37Å; I421-G423 PolarHBondContact O-N 3.04Å; I421-G423 VanDerWaalsContact O-N 3.15Å; I421-D424 PolarHBondContact N-OD2 2.85Å; I421-D424 WeakPolarHBondContact O-CB 3.2Å; I421-D424 PolarHBondContact O-N 2.81Å; I421-V448 WeakPolarHBondContact O-CB 3.19Å; I421-V448 WeakPolarHBondContact O-CG1 3.32Å
422H88.4Confident78.2Confident29 Ų2965.4 Ų65.413%0.13434%0.341CS..THydrogen-bonded Turntrans-51.1119.2173.1-17976.1000112D450 S464H422-D450 HydrophobicContact CB-CB 4Å; H422-D450 PolarHBondContact ND1-N 2.91Å; H422-D450 VanDerWaalsContact ND1-N 3.16Å; H422-S464 VanDerWaalsContact O-CB 3.28Å; H422-S464 WeakPolarHBondContact O-CB 3.44Å
423G88.5Confident81Confident13 Ų1355.3 Ų55.313%0.13430%0.297CS..THydrogen-bonded Turntrans94.1-4.3-176.300000115.7I421 V448 A468I421-G423 PolarHBondContact O-N 3.04Å; I421-G423 VanDerWaalsContact O-N 3.15Å; G423-V448 PolarHBondContact N-O 3.31Å; G423-A468 WeakPolarHBondContact O-CB 3.33Å
424D92.1Very high83.6Confident42 Ų4250.8 Ų50.823%0.22526%0.264CS..  trans-67150.4167.9-77.3-32.8000110.7R388 P420 I421 V448R388-D424 IonicContact NH1-OD1 3.74Å; R388-D424 PolarHBondContact NH1-OD1 3.06Å; P420-D424 HydrophobicContact CB-CB 4.13Å; I421-D424 PolarHBondContact N-OD2 2.85Å; I421-D424 WeakPolarHBondContact O-CB 3.2Å; I421-D424 PolarHBondContact O-N 2.81Å; D424-V448 PolarHBondContact O-N 3.29Å
425V94.8Very high85.8Confident37 Ų3741.9 Ų41.922%0.22423%0.226CC..EExtended strand (participates in β ladder)trans-122.9111.7-177.2-1760000109.3I427 F445 V447 A468 A471 V472V425-I427 HydrophobicContact CG1-CG1 4.34Å; V425-F445 HydrophobicContact CG1-CB 4.21Å; V425-F445 HydrophobicContact CG1-CD1 3.97Å; V425-V447 HydrophobicContact CG1-CG2 4.27Å; V425-V447 HydrophobicContact CG2-CG2 4.03Å; V425-A468 HydrophobicContact CG2-CB 3.79Å; V425-A471 HydrophobicContact CG2-CB 4.45Å; V425-V472 HydrophobicContact CG1-CG2 3.75Å; V425-V472 HydrophobicContact CG2-CG2 4.25Å
426L95Very high87.3Confident11 Ų1138 Ų386%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-88.8139.5173.9-39.9179.2000108.9I346 I378 P420 F445 Q446 V448I346-L426 HydrophobicContact CG1-CD1 4.26Å; I378-L426 HydrophobicContact CD1-CB 4.38Å; I378-L426 HydrophobicContact CG2-CB 4.36Å; I378-L426 HydrophobicContact CG2-CD1 4.28Å; I378-L426 HydrophobicContact CG2-CD2 3.87Å; I378-L426 HydrophobicContact CG2-CG 4.39Å; P420-L426 HydrophobicContact CB-CD2 4.19Å; P420-L426 HydrophobicContact CG-CD1 4.49Å; P420-L426 HydrophobicContact CG-CD2 4.33Å; L426-F445 CarbonylContact O-C 3.51Å; L426-F445 WeakPolarHBondContact O-CA 3.2Å; L426-Q446 HydrophobicContact CB-CB 4.12Å; L426-Q446 HydrophobicContact CB-CG 4.49Å; L426-Q446 PolarHBondContact N-O 3.41Å; L426-Q446 PolarHBondContact O-N 3Å; L426-V448 HydrophobicContact CD1-CG2 4.42Å; L426-V448 HydrophobicContact CG-CG2 4.31Å
427I96.3Very high88.3Confident69 Ų6934 Ų3435%0.35418%0.18SC..EExtended strand (participates in β ladder)trans-122.8124.7-175.1-54.8176.4000109.4V425 V443 F445 T475V425-I427 HydrophobicContact CG1-CG1 4.34Å; I427-V443 HydrophobicContact CG2-CG1 3.67Å; I427-F445 HydrophobicContact CD1-CD1 4.26Å; I427-F445 HydrophobicContact CD1-CE1 4.06Å; I427-F445 HydrophobicContact CG1-CD1 3.94Å; I427-F445 HydrophobicContact CG1-CE1 4.19Å; I427-T475 HydrophobicContact CD1-CG2 4.13Å
428T95.4Very high88.7Confident0 Ų031.1 Ų31.10%016%0.162CC..EExtended strand (participates in β ladder)trans-125.6148.5174.654.50000110.6F371 Q374 I378 H430 V443 V444F371-T428 HydrophobicContact CD2-CG2 4.24Å; F371-T428 HydrophobicContact CE2-CG2 3.98Å; Q374-T428 HydrophobicContact CB-CG2 4.2Å; I378-T428 HydrophobicContact CD1-CG2 3.66Å; T428-H430 WeakPolarHBondContact CB-NE2 3.41Å; T428-H430 PolarHBondContact OG1-NE2 3.35Å; T428-V443 CarbonylContact O-C 3.5Å; T428-V443 WeakPolarHBondContact O-CA 3.4Å; T428-V444 PolarHBondContact N-O 2.85Å; T428-V444 PolarHBondContact O-N 3.03Å; T428-V444 PolarHBondContact OG1-O 3.42Å
429K95.4Very high88.8Confident98 Ų9829 Ų2943%0.42616%0.156SC..EExtended strand (participates in β ladder)trans-117.8137.7-174.1-63.9173.5-67.1-172.20110.2F368 Q374 N442F368-K429 HydrophobicContact CB-CB 4.36Å; F368-K429 HydrophobicContact CD1-CB 3.9Å; F368-K429 HydrophobicContact CD1-CD 4.23Å; F368-K429 HydrophobicContact CD2-CB 4.02Å; F368-K429 HydrophobicContact CE1-CB 4.18Å; F368-K429 HydrophobicContact CE1-CD 4.25Å; F368-K429 HydrophobicContact CE2-CB 4.29Å; F368-K429 HydrophobicContact CG-CB 3.81Å; F368-K429 HydrophobicContact CZ-CB 4.37Å; Q374-K429 PolarHBondContact NE2-O 2.86Å; Q374-K429 PolarHBondContact OE1-O 3.46Å; K429-N442 WeakPolarHBondContact CA-O 3.22Å
430H93.6Very high88.9Confident2 Ų223.9 Ų23.91%0.00913%0.133CC..EExtended strand (participates in β ladder)trans-141.3144.6-173-53.6-84.8000110.3C360 E365 F368 F371 T428 L433 N442C360-H430 PolarHBondContact SG-CE1 3.49Å; C360-H430 PolarHBondContact SG-ND1 3.24Å; E365-H430 WeakPolarHBondContact OE2-CA 3.46Å; F368-H430 WeakPolarHBondContact CE2-O 3.23Å; F371-H430 AromaticContact CD2-CE1 3.66Å; T428-H430 WeakPolarHBondContact CB-NE2 3.41Å; T428-H430 PolarHBondContact OG1-NE2 3.35Å; H430-L433 HydrophobicContact CB-CB 4.33Å; H430-L433 HydrophobicContact CB-CD1 3.84Å; H430-L433 HydrophobicContact CB-CG 3.92Å; H430-N442 PolarHBondContact N-O 3Å; H430-N442 VanDerWaalsContact O-CA 3.3Å; H430-N442 WeakPolarHBondContact O-CA 3.37Å
431S92.1Very high89.1Confident2 Ų224 Ų241%0.01413%0.133CC..EExtended strand (participates in β ladder)trans-113-15.1165.5780000111.6N326 E365 H367N326-S431 PolarHBondContact ND2-O 3.37Å; E365-S431 PolarHBondContact OE1-OG 2.87Å; E365-S431 VanDerWaalsContact OE1-OG 3.07Å; E365-S431 PolarHBondContact OE2-N 2.91Å; E365-S431 PolarHBondContact OE2-OG 3.05Å; H367-S431 PolarHBondContact CD2-OG 3.17Å
432N90Very high89.4Confident2 Ų221.7 Ų21.71%0.01112%0.121CC..EExtended strand (participates in β ladder)trans-95.8-6.6-169.973.1-12.9000114.4C360 S363C360-N432 PolarHBondContact O-ND2 3.11Å; S363-N432 PolarHBondContact O-ND2 2.84Å; S363-N432 WeakPolarHBondContact OG-CB 3.38Å
433L90.5Very high89.7Confident2 Ų221 Ų211%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-92.7138.1179.9-62.5-178.7000112.7L356 A359 H430 I441 V444L356-L433 HydrophobicContact CD1-CD1 3.72Å; A359-L433 HydrophobicContact CB-CD2 3.96Å; H430-L433 HydrophobicContact CB-CB 4.33Å; H430-L433 HydrophobicContact CB-CD1 3.84Å; H430-L433 HydrophobicContact CB-CG 3.92Å; L433-I441 HydrophobicContact CB-CB 3.92Å; L433-I441 HydrophobicContact CB-CD1 4.49Å; L433-I441 HydrophobicContact CD1-CG2 4.5Å; L433-I441 PolarHBondContact O-N 3.41Å; L433-V444 HydrophobicContact CD1-CG2 4.26Å
434I87Confident90.1Very high8 Ų820.4 Ų20.44%0.04111%0.113CC..EExtended strand (participates in β ladder)trans-129.9142.3173.5-52.2177.4000106.9T305 E322 R323T305-I434 HydrophobicContact CG2-CB 3.86Å; T305-I434 HydrophobicContact CG2-CG1 4.46Å; T305-I434 VanDerWaalsContact CG2-N 3.27Å; T305-I434 WeakPolarHBondContact CG2-O 3.39Å; E322-I434 HydrophobicContact CB-CD1 4.46Å; E322-I434 HydrophobicContact CB-CG2 4.34Å; R323-I434 HydrophobicContact CG-CD1 3.82Å
435S85.5Confident90.3Very high4 Ų418.4 Ų18.43%0.02810%0.102CC..  trans-76.9163.4174.2730000111.8F301 T437 G438 D439F301-S435 VanDerWaalsContact CE1-CB 3.44Å; F301-S435 CarbonylContact O-C 3.48Å; F301-S435 VanDerWaalsContact O-CA 3.31Å; F301-S435 WeakPolarHBondContact O-CA 3.07Å; S435-T437 PolarHBondContact O-N 3.32Å; S435-T437 VanDerWaalsContact O-N 3.09Å; S435-T437 PolarHBondContact OG-N 3.43Å; S435-T437 PolarHBondContact OG-OG1 3.09Å; S435-G438 PolarHBondContact O-N 3.48Å; S435-G438 PolarHBondContact OG-N 2.91Å; S435-D439 WeakPolarHBondContact CB-O 3.19Å; S435-D439 PolarHBondContact N-O 3.47Å; S435-D439 PolarHBondContact OG-N 2.93Å; S435-D439 VanDerWaalsContact OG-N 3.09Å; S435-D439 PolarHBondContact OG-O 3.43Å
436S78.3Confident90.3Very high32 Ų3216.7 Ų16.722%0.2249%0.092CC..THydrogen-bonded Turntrans-58.4-13.8164.166.30000114.9L296 F301 T304L296-S436 WeakPolarHBondContact CD2-OG 3.5Å; F301-S436 PolarHBondContact O-N 2.89Å; T304-S436 WeakPolarHBondContact OG1-CB 3.44Å
437T76.2Confident90.3Very high44 Ų4416.1 Ų16.127%0.279%0.089SC..THydrogen-bonded Turntrans-92.20.2176.361.20000113.1I294 F301 S435 D439I294-T437 HydrophobicContact CD1-CG2 4.15Å; F301-T437 HydrophobicContact CE2-CG2 4.11Å; S435-T437 PolarHBondContact O-N 3.32Å; S435-T437 VanDerWaalsContact O-N 3.09Å; S435-T437 PolarHBondContact OG-N 3.43Å; S435-T437 PolarHBondContact OG-OG1 3.09Å; T437-D439 VanDerWaalsContact C-N 3.32Å; T437-D439 PolarHBondContact OG1-OD2 2.7Å
438G78.8Confident90.1Very high12 Ų1212.9 Ų12.912%0.1247%0.072CC..SBendtrans82.45.9-177.200000114.6S435S435-G438 PolarHBondContact O-N 3.48Å; S435-G438 PolarHBondContact OG-N 2.91Å
439D83.6Confident89.7Confident39 Ų3913.2 Ų13.221%0.2097%0.074CC..  trans-89.8133.5178.3-63.8-59.6000109.8R292 S435 T437R292-D439 IonicContact NH1-OD2 3.2Å; S435-D439 WeakPolarHBondContact CB-O 3.19Å; S435-D439 PolarHBondContact N-O 3.47Å; S435-D439 PolarHBondContact OG-N 2.93Å; S435-D439 VanDerWaalsContact OG-N 3.09Å; S435-D439 PolarHBondContact OG-O 3.43Å; T437-D439 VanDerWaalsContact C-N 3.32Å; T437-D439 PolarHBondContact OG1-OD2 2.7Å
440G88.5Confident89.1Confident1 Ų110 Ų101%0.016%0.061CC..EExtended strand (participates in β ladder)trans-58.4148.6171.100000112.2N326 N336N326-G440 VanDerWaalsContact OD1-CA 3.32Å; N326-G440 WeakPolarHBondContact OD1-CA 3.23Å; N336-G440 WeakPolarHBondContact CB-O 3.41Å; N336-G440 PolarHBondContact ND2-O 2.92Å
441I93Very high88Confident6 Ų616.3 Ų16.33%0.0319%0.091CC..EExtended strand (participates in β ladder)trans-114.5105.4173.5-58.6164.6000107.9F301 L338 L433 V444F301-I441 HydrophobicContact CD1-CD1 4.01Å; F301-I441 HydrophobicContact CE1-CD1 3.82Å; F301-I441 HydrophobicContact CE1-CG1 4.14Å; L338-I441 HydrophobicContact CB-CG2 3.82Å; L338-I441 HydrophobicContact CD2-CD1 4.15Å; L338-I441 HydrophobicContact CD2-CG2 4.43Å; L433-I441 HydrophobicContact CB-CB 3.92Å; L433-I441 HydrophobicContact CB-CD1 4.49Å; L433-I441 HydrophobicContact CD1-CG2 4.5Å; L433-I441 PolarHBondContact O-N 3.41Å; I441-V444 HydrophobicContact CG2-CG2 3.69Å
442N94.1Very high86.8Confident3 Ų322.6 Ų22.62%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-96.1-29.9-171.9-51.2117.7000113.4N326 L335 N336 K429 H430N326-N442 PolarHBondContact OD1-ND2 2.93Å; N326-N442 VanDerWaalsContact OD1-ND2 3.11Å; L335-N442 HydrophobicContact CB-CB 4.45Å; L335-N442 HydrophobicContact CD2-CB 3.98Å; N336-N442 PolarHBondContact N-OD1 3.47Å; N336-N442 WeakPolarHBondContact O-CA 3.48Å; N336-N442 PolarHBondContact O-N 3.19Å; K429-N442 WeakPolarHBondContact CA-O 3.22Å; H430-N442 PolarHBondContact N-O 3Å; H430-N442 VanDerWaalsContact O-CA 3.3Å; H430-N442 WeakPolarHBondContact O-CA 3.37Å
443V95.6Very high85.6Confident15 Ų1529 Ų299%0.09115%0.15CC..EExtended strand (participates in β ladder)trans-133.8130.3179.2-175.90000109.5N336 G337 L338 I427 T428 F445 I481N336-V443 PolarHBondContact O-N 3.42Å; G337-V443 CarbonylContact C-O 3.2Å; G337-V443 VanDerWaalsContact CA-O 3.28Å; G337-V443 WeakPolarHBondContact CA-O 3.2Å; L338-V443 PolarHBondContact N-O 3.4Å; I427-V443 HydrophobicContact CG2-CG1 3.67Å; T428-V443 CarbonylContact O-C 3.5Å; T428-V443 WeakPolarHBondContact O-CA 3.4Å; V443-F445 HydrophobicContact CB-CE2 4.35Å; V443-F445 HydrophobicContact CG1-CD2 4.22Å; V443-F445 HydrophobicContact CG1-CE1 4.3Å; V443-F445 HydrophobicContact CG1-CE2 3.8Å; V443-F445 HydrophobicContact CG1-CZ 3.85Å; V443-I481 HydrophobicContact CB-CD1 4.1Å; V443-I481 HydrophobicContact CG1-CD1 4.25Å; V443-I481 HydrophobicContact CG2-CD1 3.89Å
444V95.9Very high84.3Confident0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-114.1116.3172.8-179.20000109.6L338 I340 L356 T428 L433 I441 Q446L338-V444 HydrophobicContact CB-CG2 4.47Å; L338-V444 CarbonylContact O-C 3.51Å; L338-V444 VanDerWaalsContact O-CA 3.31Å; L338-V444 WeakPolarHBondContact O-CA 3.42Å; I340-V444 HydrophobicContact CD1-CG1 3.9Å; I340-V444 HydrophobicContact CG1-CG1 3.93Å; L356-V444 HydrophobicContact CD1-CG2 4.26Å; L356-V444 HydrophobicContact CD2-CG1 3.97Å; T428-V444 PolarHBondContact N-O 2.85Å; T428-V444 PolarHBondContact O-N 3.03Å; T428-V444 PolarHBondContact OG1-O 3.42Å; L433-V444 HydrophobicContact CD1-CG2 4.26Å; I441-V444 HydrophobicContact CG2-CG2 3.69Å; V444-Q446 HydrophobicContact CG1-CG 4.23Å
445F96.9Very high82.9Confident0 Ų033.1 Ų33.10%018%0.177CC..EExtended strand (participates in β ladder)trans-91.1110.6173.6-61.2-85.2000109.4L338 M339 I340 V425 L426 I427 V443 V472 T475 I481 L484L338-F445 PolarHBondContact O-N 2.91Å; M339-F445 CarbonylContact C-O 3.58Å; M339-F445 WeakPolarHBondContact CA-O 3.47Å; I340-F445 PolarHBondContact N-O 2.86Å; V425-F445 HydrophobicContact CG1-CB 4.21Å; V425-F445 HydrophobicContact CG1-CD1 3.97Å; L426-F445 CarbonylContact O-C 3.51Å; L426-F445 WeakPolarHBondContact O-CA 3.2Å; I427-F445 HydrophobicContact CD1-CD1 4.26Å; I427-F445 HydrophobicContact CD1-CE1 4.06Å; I427-F445 HydrophobicContact CG1-CD1 3.94Å; I427-F445 HydrophobicContact CG1-CE1 4.19Å; V443-F445 HydrophobicContact CB-CE2 4.35Å; V443-F445 HydrophobicContact CG1-CD2 4.22Å; V443-F445 HydrophobicContact CG1-CE1 4.3Å; V443-F445 HydrophobicContact CG1-CE2 3.8Å; V443-F445 HydrophobicContact CG1-CZ 3.85Å; F445-V472 HydrophobicContact CB-CG1 4.4Å; F445-V472 HydrophobicContact CB-CG2 3.98Å; F445-V472 HydrophobicContact CD1-CB 4.29Å; F445-V472 HydrophobicContact CD1-CG1 4.03Å; F445-V472 HydrophobicContact CD1-CG2 3.83Å; F445-V472 HydrophobicContact CD2-CG1 3.86Å; F445-V472 HydrophobicContact CE1-CG1 4.2Å; F445-V472 HydrophobicContact CE1-CG2 4.49Å; F445-V472 HydrophobicContact CE2-CG1 4.04Å; F445-V472 HydrophobicContact CG-CB 4.48Å; F445-V472 HydrophobicContact CG-CG1 3.85Å; F445-V472 HydrophobicContact CG-CG2 3.98Å; F445-V472 HydrophobicContact CZ-CG1 4.19Å; F445-T475 HydrophobicContact CE1-CG2 3.77Å; F445-T475 HydrophobicContact CZ-CG2 3.99Å; F445-I481 HydrophobicContact CE2-CD1 3.98Å; F445-I481 HydrophobicContact CZ-CD1 3.68Å; F445-L484 HydrophobicContact CD2-CD1 4.09Å; F445-L484 HydrophobicContact CE2-CD1 4.12Å
446Q94.9Very high81.9Confident0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-98.3104.3177-37.7-175.725.300108.5I340 V342 L426 V444I340-Q446 HydrophobicContact CD1-CG 4.1Å; I340-Q446 HydrophobicContact CG1-CB 4.2Å; I340-Q446 HydrophobicContact CG1-CG 4.11Å; V342-Q446 HydrophobicContact CG1-CB 3.95Å; V342-Q446 HydrophobicContact CG2-CB 3.74Å; L426-Q446 HydrophobicContact CB-CB 4.12Å; L426-Q446 HydrophobicContact CB-CG 4.49Å; L426-Q446 PolarHBondContact N-O 3.41Å; L426-Q446 PolarHBondContact O-N 3Å; V444-Q446 HydrophobicContact CG1-CG 4.23Å
447V94.4Very high81.1Confident0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-90.5119.3-179.7178.80000109.4M339 I340 L341 V342 V425 I449 L465 A468 V472M339-V447 HydrophobicContact CE-CB 4.09Å; M339-V447 HydrophobicContact CE-CG1 4.37Å; M339-V447 HydrophobicContact CE-CG2 3.52Å; M339-V447 HydrophobicContact CG-CG2 4Å; I340-V447 PolarHBondContact O-N 3.11Å; L341-V447 HydrophobicContact CD2-CB 4.03Å; L341-V447 HydrophobicContact CD2-CG1 4.46Å; V342-V447 PolarHBondContact N-O 3.22Å; V425-V447 HydrophobicContact CG1-CG2 4.27Å; V425-V447 HydrophobicContact CG2-CG2 4.03Å; V447-I449 HydrophobicContact CG1-CG1 4.42Å; V447-I449 PolarHBondContact O-N 3.44Å; V447-L465 HydrophobicContact CG1-CD1 4.27Å; V447-A468 HydrophobicContact CG1-CB 3.63Å; V447-A468 HydrophobicContact CG2-CB 4.42Å; V447-V472 HydrophobicContact CG2-CG2 4.24Å
448V91.9Very high80.6Confident0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-73.9115.4-177.7178.30000109.1V342 K344 P420 I421 G423 D424 L426V342-V448 HydrophobicContact CG2-CG2 4.08Å; V342-V448 CarbonylContact O-C 3.49Å; V342-V448 WeakPolarHBondContact O-CA 3.44Å; K344-V448 HydrophobicContact CB-CG1 4.39Å; K344-V448 HydrophobicContact CG-CG1 3.89Å; P420-V448 HydrophobicContact CB-CG2 4.04Å; P420-V448 HydrophobicContact CG-CG2 3.93Å; I421-V448 WeakPolarHBondContact O-CB 3.19Å; I421-V448 WeakPolarHBondContact O-CG1 3.32Å; G423-V448 PolarHBondContact N-O 3.31Å; D424-V448 PolarHBondContact O-N 3.29Å; L426-V448 HydrophobicContact CD1-CG2 4.42Å; L426-V448 HydrophobicContact CG-CG2 4.31Å
449I88Confident80.3Confident8 Ų839.1 Ų39.14%0.04120%0.202CC..  trans-113.2153.4173.8-65.2-166.8000109.1L341 V342 V447 E454 L465L341-I449 HydrophobicContact CB-CD1 4.23Å; L341-I449 HydrophobicContact CD1-CD1 3.61Å; L341-I449 HydrophobicContact CD2-CD1 3.58Å; L341-I449 HydrophobicContact CD2-CG1 4.23Å; L341-I449 HydrophobicContact CG-CD1 3.98Å; V342-I449 PolarHBondContact O-N 3.35Å; V447-I449 HydrophobicContact CG1-CG1 4.42Å; V447-I449 PolarHBondContact O-N 3.44Å; I449-E454 HydrophobicContact CG2-CG 3.77Å; I449-E454 VanDerWaalsContact CG2-OE1 3.29Å; I449-E454 WeakPolarHBondContact CG2-OE1 3.41Å; I449-L465 HydrophobicContact CD1-CD1 4.13Å
450D81.7Confident79.6Confident29 Ų2945.4 Ų45.416%0.15522%0.223CC..  trans-130.8119.9-177.2-168.529.7000105.9K344 H422 D452 Y453K344-D450 VanDerWaalsContact CE-OD1 3.29Å; K344-D450 WeakPolarHBondContact CE-OD1 3.24Å; K344-D450 VanDerWaalsContact CE-OD2 3.26Å; K344-D450 WeakPolarHBondContact CE-OD2 3.47Å; K344-D450 IonicContact NZ-OD1 3.89Å; K344-D450 PolarHBondContact NZ-OD1 3.44Å; K344-D450 IonicContact NZ-OD2 2.68Å; K344-D450 PolarHBondContact NZ-OD2 2.84Å; H422-D450 HydrophobicContact CB-CB 4Å; H422-D450 PolarHBondContact ND1-N 2.91Å; H422-D450 VanDerWaalsContact ND1-N 3.16Å; D450-D452 PolarHBondContact O-N 3.3Å; D450-Y453 HydrophobicContact CB-CD2 3.86Å; D450-Y453 HydrophobicContact CB-CE2 4.38Å; D450-Y453 PolarHBondContact O-N 2.91Å; D450-Y453 WeakPolarHBondContact OD2-CE2 3.31Å
451E72.1Confident78.8Confident135 Ų13551.7 Ų51.763%0.63126%0.255SS*.G310 helixtrans-62.4-31-163.8-64.9-176.5164.600112Y453 E454E451-Y453 PolarHBondContact O-N 2.63Å; E451-Y453 VanDerWaalsContact O-N 3.11Å; E451-E454 PolarHBondContact O-N 3.06Å
452D66.9Low77.7Confident135 Ų13556.7 Ų56.772%0.72229%0.288SS*.G310 helixtrans-55.3-29.5175.4-66.6-30.1000113.3D450D450-D452 PolarHBondContact O-N 3.3Å
453Y64.7Low77.2Confident137 Ų13758 Ų5854%0.53730%0.297SS..G310 helixtrans-89.6-14.8-179.1-68.2-97.8000113.7D450 E451 S455 N456D450-Y453 HydrophobicContact CB-CD2 3.86Å; D450-Y453 HydrophobicContact CB-CE2 4.38Å; D450-Y453 PolarHBondContact O-N 2.91Å; D450-Y453 WeakPolarHBondContact OD2-CE2 3.31Å; E451-Y453 PolarHBondContact O-N 2.63Å; E451-Y453 VanDerWaalsContact O-N 3.11Å; Y453-S455 PolarHBondContact O-N 3.27Å; Y453-N456 PolarHBondContact O-N 3.35Å
454E61.8Low76.7Confident15 Ų1559.7 Ų59.77%0.0731%0.309CS..THydrogen-bonded Turntrans-67.4-22.3-174.7-69.4-163.6158.100113.5I449 E451 N456 S492I449-E454 HydrophobicContact CG2-CG 3.77Å; I449-E454 VanDerWaalsContact CG2-OE1 3.29Å; I449-E454 WeakPolarHBondContact CG2-OE1 3.41Å; E451-E454 PolarHBondContact O-N 3.06Å; E454-N456 PolarHBondContact O-N 3.03Å; E454-N456 VanDerWaalsContact O-N 3.16Å; E454-S492 VanDerWaalsContact OE1-CB 3.25Å; E454-S492 WeakPolarHBondContact OE1-CB 3.43Å; E454-S492 PolarHBondContact OE1-N 2.8Å; E454-S492 PolarHBondContact OE1-OG 2.67Å
455S58.1Low76.4Confident81 Ų8160.3 Ų60.357%0.56631%0.313SS*.THydrogen-bonded Turntrans-58-26.7176.3630000113.5Y453 N457Y453-S455 PolarHBondContact O-N 3.27Å; S455-N457 PolarHBondContact O-N 3.13Å
456N64Low76Confident108 Ų10861 Ų6158%0.57832%0.316SS*.  trans-85.1105.8-179.6-94.3-47.4000112.4Y453 E454 N458 R506Y453-N456 PolarHBondContact O-N 3.35Å; E454-N456 PolarHBondContact O-N 3.03Å; E454-N456 VanDerWaalsContact O-N 3.16Å; N456-N458 PolarHBondContact O-N 3.01Å; N456-R506 PolarHBondContact O-NH1 3.26Å
457N61.6Low75.8Confident24 Ų2465.1 Ų65.113%0.12834%0.338CS..  trans-65.8-3.3179.9-130.5-21.3000114.9S455 I459 W502 T509S455-N457 PolarHBondContact O-N 3.13Å; N457-I459 PolarHBondContact O-N 2.92Å; N457-W502 PolarHBondContact ND2-NE1 3.46Å; N457-W502 VanDerWaalsContact ND2-NE1 3.17Å; N457-T509 PolarHBondContact O-OG1 3.46Å
458N66.3Low75.7Confident73 Ų7365.2 Ų65.239%0.3934%0.338SS..  trans-95.985.2-170.7-76.7-43000112.6N456 R460N456-N458 PolarHBondContact O-N 3.01Å; N458-R460 HydrophobicContact CB-CG 4.05Å; N458-R460 PolarHBondContact O-N 3.26Å; N458-R460 PolarHBondContact OD1-NE 3.31Å
459I72.5Confident75.8Confident13 Ų1365.4 Ų65.47%0.06734%0.34CS..  trans-74.570.3160.4-45179.6000108.5N457 L465 H466 I469 V510 A513N457-I459 PolarHBondContact O-N 2.92Å; I459-L465 HydrophobicContact CD1-CD2 3.78Å; I459-L465 HydrophobicContact CG1-CD2 4.1Å; I459-H466 HydrophobicContact CG2-CB 4.09Å; I459-I469 HydrophobicContact CG2-CD1 4.29Å; I459-V510 HydrophobicContact CD1-CB 4.34Å; I459-V510 HydrophobicContact CD1-CG2 3.45Å; I459-V510 VanDerWaalsContact CD1-CG2 3.45Å; I459-A513 HydrophobicContact CG2-CB 3.76Å
460R69.4Low76.1Confident171 Ų17165.4 Ų65.465%0.64534%0.34SS*.PPolyproline II helixtrans-102.4160.5178-68-176-174.6-156.3-1.7110.3N458 P462 S463N458-R460 HydrophobicContact CB-CG 4.05Å; N458-R460 PolarHBondContact O-N 3.26Å; N458-R460 PolarHBondContact OD1-NE 3.31Å; R460-P462 CarbonylContact O-C 3.51Å; R460-S463 WeakPolarHBondContact O-CB 3.39Å; R460-S463 PolarHBondContact O-N 3.27Å; R460-S463 PolarHBondContact O-OG 2.99Å
461I71.7Confident76.7Confident132 Ų13265.9 Ų65.968%0.67735%0.348SS*.SBendtrans-82.4132.9173.6-55.2179.5000108.9H466I461-H466 WeakPolarHBondContact CG1-NE2 3.49Å
462P69.4Low77.8Confident112 Ų11259.5 Ų59.573%0.72732%0.319SS*.SBendcis-84.6138.3-18.234.1-30.1000110.9R460R460-P462 CarbonylContact O-C 3.51Å
463S83.5Confident79.1Confident30 Ų3053.2 Ų53.221%0.2129%0.285CS..  trans-142.3150.316853.50000108.5R460 L465 H466 N467R460-S463 WeakPolarHBondContact O-CB 3.39Å; R460-S463 PolarHBondContact O-N 3.27Å; R460-S463 PolarHBondContact O-OG 2.99Å; S463-L465 VanDerWaalsContact C-N 3.25Å; S463-L465 PolarHBondContact O-N 2.79Å; S463-H466 WeakPolarHBondContact O-CA 3.24Å; S463-H466 WeakPolarHBondContact O-CB 3.34Å; S463-H466 PolarHBondContact O-N 3.12Å; S463-H466 VanDerWaalsContact OG-CB 3.31Å; S463-H466 WeakPolarHBondContact OG-CB 3.28Å; S463-H466 PolarHBondContact OG-N 3.07Å; S463-N467 PolarHBondContact O-N 3.24Å
464S86Confident80.5Confident50 Ų5052 Ų5235%0.3528%0.28SS..Hα-helixtrans-59-38.7-174.4-38.60000112H422 N467 A468H422-S464 VanDerWaalsContact O-CB 3.28Å; H422-S464 WeakPolarHBondContact O-CB 3.44Å; S464-N467 PolarHBondContact O-N 3.35Å; S464-A468 WeakPolarHBondContact O-CB 3.18Å; S464-A468 PolarHBondContact O-N 3.34Å
465L88.1Confident82Confident14 Ų1452.7 Ų52.77%0.07328%0.284CS..Hα-helixtrans-68-36.9174.1-173.759.7000113.2V447 I449 I459 S463 N467 A468 I469 L490V447-L465 HydrophobicContact CG1-CD1 4.27Å; I449-L465 HydrophobicContact CD1-CD1 4.13Å; I459-L465 HydrophobicContact CD1-CD2 3.78Å; I459-L465 HydrophobicContact CG1-CD2 4.1Å; S463-L465 VanDerWaalsContact C-N 3.25Å; S463-L465 PolarHBondContact O-N 2.79Å; L465-N467 VanDerWaalsContact C-N 3.34Å; L465-A468 PolarHBondContact O-N 3.11Å; L465-I469 HydrophobicContact CG-CD1 4.34Å; L465-I469 WeakPolarHBondContact O-CD1 3.45Å; L465-I469 VanDerWaalsContact O-CG1 3.26Å; L465-I469 WeakPolarHBondContact O-CG1 3.12Å; L465-I469 PolarHBondContact O-N 2.9Å; L465-L490 HydrophobicContact CD1-CD1 4.24Å; L465-L490 HydrophobicContact CD2-CB 4.04Å; L465-L490 HydrophobicContact CD2-CD1 4.33Å; L465-L490 HydrophobicContact CG-CD1 4.37Å
466H89.5Confident83.7Confident13 Ų1348.8 Ų48.86%0.0626%0.257CS..Hα-helixtrans-61.8-44.9171.3177.2-79.6000110.8I459 I461 S463 A468 I469 S470I459-H466 HydrophobicContact CG2-CB 4.09Å; I461-H466 WeakPolarHBondContact CG1-NE2 3.49Å; S463-H466 WeakPolarHBondContact O-CA 3.24Å; S463-H466 WeakPolarHBondContact O-CB 3.34Å; S463-H466 PolarHBondContact O-N 3.12Å; S463-H466 VanDerWaalsContact OG-CB 3.31Å; S463-H466 WeakPolarHBondContact OG-CB 3.28Å; S463-H466 PolarHBondContact OG-N 3.07Å; H466-A468 VanDerWaalsContact C-N 3.32Å; H466-A468 PolarHBondContact O-N 3.34Å; H466-I469 PolarHBondContact O-N 3.15Å; H466-S470 PolarHBondContact CE1-OG 2.67Å; H466-S470 VanDerWaalsContact CE1-OG 3.29Å; H466-S470 PolarHBondContact O-N 3Å; H466-S470 PolarHBondContact O-OG 2.68Å
467N90.5Very high85Confident88 Ų8843.9 Ų43.947%0.47123%0.231SC..Hα-helixtrans-63-38.8178.5-65.3-13.5000111.5S463 S464 L465 S470 A471S463-N467 PolarHBondContact O-N 3.24Å; S464-N467 PolarHBondContact O-N 3.35Å; L465-N467 VanDerWaalsContact C-N 3.34Å; N467-S470 PolarHBondContact O-N 2.74Å; N467-A471 VanDerWaalsContact O-CB 3.29Å; N467-A471 WeakPolarHBondContact O-CB 3.13Å; N467-A471 PolarHBondContact O-N 3.21Å
468A93.1Very high86.3Confident1 Ų146.1 Ų46.11%0.00824%0.243CC..Hα-helixtrans-61.4-48172.700000112.3G423 V425 V447 S464 L465 H466 S470 A471 V472G423-A468 WeakPolarHBondContact O-CB 3.33Å; V425-A468 HydrophobicContact CG2-CB 3.79Å; V447-A468 HydrophobicContact CG1-CB 3.63Å; V447-A468 HydrophobicContact CG2-CB 4.42Å; S464-A468 WeakPolarHBondContact O-CB 3.18Å; S464-A468 PolarHBondContact O-N 3.34Å; L465-A468 PolarHBondContact O-N 3.11Å; H466-A468 VanDerWaalsContact C-N 3.32Å; H466-A468 PolarHBondContact O-N 3.34Å; A468-S470 PolarHBondContact O-N 3.02Å; A468-A471 PolarHBondContact O-N 3.31Å; A468-V472 WeakPolarHBondContact O-CG2 3.19Å; A468-V472 PolarHBondContact O-N 2.69Å
469I94.1Very high87.5Confident5 Ų550.1 Ų50.13%0.02625%0.254CS..Hα-helixtrans-59.3-47.1176-65.6161.4000110.6M339 I459 L465 H466 A471 V472 L473 L490 A513 V514M339-I469 HydrophobicContact CE-CG1 4.37Å; I459-I469 HydrophobicContact CG2-CD1 4.29Å; L465-I469 HydrophobicContact CG-CD1 4.34Å; L465-I469 WeakPolarHBondContact O-CD1 3.45Å; L465-I469 VanDerWaalsContact O-CG1 3.26Å; L465-I469 WeakPolarHBondContact O-CG1 3.12Å; L465-I469 PolarHBondContact O-N 2.9Å; H466-I469 PolarHBondContact O-N 3.15Å; I469-A471 VanDerWaalsContact C-N 3.33Å; I469-A471 PolarHBondContact O-N 3.13Å; I469-V472 PolarHBondContact O-N 3.26Å; I469-L473 HydrophobicContact CG2-CD1 3.81Å; I469-L473 WeakPolarHBondContact O-CB 3.38Å; I469-L473 WeakPolarHBondContact O-CG 3.26Å; I469-L473 PolarHBondContact O-N 3.13Å; I469-L490 HydrophobicContact CD1-CD1 3.49Å; I469-L490 VanDerWaalsContact CD1-CD1 3.49Å; I469-L490 HydrophobicContact CG1-CD1 3.85Å; I469-A513 HydrophobicContact CD1-CB 3.94Å; I469-V514 HydrophobicContact CG2-CG2 3.93Å
470S92.6Very high88.2Confident7 Ų752.9 Ų52.95%0.04927%0.268CS..Hα-helixtrans-62.2-37.7176.4-69.30000112.6H466 N467 A468 R474H466-S470 PolarHBondContact CE1-OG 2.67Å; H466-S470 VanDerWaalsContact CE1-OG 3.29Å; H466-S470 PolarHBondContact O-N 3Å; H466-S470 PolarHBondContact O-OG 2.68Å; N467-S470 PolarHBondContact O-N 2.74Å; A468-S470 PolarHBondContact O-N 3.02Å; S470-R474 WeakPolarHBondContact O-CB 3.47Å; S470-R474 WeakPolarHBondContact O-CD 3.43Å; S470-R474 WeakPolarHBondContact O-CG 3.26Å; S470-R474 PolarHBondContact O-N 3.5Å
471A94Very high89.4Confident40 Ų4044.8 Ų44.833%0.33124%0.238SC..Hα-helixtrans-67.1-49.7176.500000111.6V425 N467 A468 I469 L473 R474 T475V425-A471 HydrophobicContact CG2-CB 4.45Å; N467-A471 VanDerWaalsContact O-CB 3.29Å; N467-A471 WeakPolarHBondContact O-CB 3.13Å; N467-A471 PolarHBondContact O-N 3.21Å; A468-A471 PolarHBondContact O-N 3.31Å; I469-A471 VanDerWaalsContact C-N 3.33Å; I469-A471 PolarHBondContact O-N 3.13Å; A471-L473 VanDerWaalsContact C-N 3.33Å; A471-L473 PolarHBondContact O-N 3.18Å; A471-R474 WeakPolarHBondContact O-CB 3.45Å; A471-R474 PolarHBondContact O-N 3.37Å; A471-T475 PolarHBondContact O-N 2.93Å; A471-T475 PolarHBondContact O-OG1 3.47Å; A471-T475 VanDerWaalsContact O-OG1 3.08Å
472V96.2Very high90.4Very high1 Ų139 Ų391%0.00621%0.209CC..Hα-helixtrans-55.7-48.2175.6171.60000110.9V425 F445 V447 A468 I469 T475 C476 L484V425-V472 HydrophobicContact CG1-CG2 3.75Å; V425-V472 HydrophobicContact CG2-CG2 4.25Å; F445-V472 HydrophobicContact CB-CG1 4.4Å; F445-V472 HydrophobicContact CB-CG2 3.98Å; F445-V472 HydrophobicContact CD1-CB 4.29Å; F445-V472 HydrophobicContact CD1-CG1 4.03Å; F445-V472 HydrophobicContact CD1-CG2 3.83Å; F445-V472 HydrophobicContact CD2-CG1 3.86Å; F445-V472 HydrophobicContact CE1-CG1 4.2Å; F445-V472 HydrophobicContact CE1-CG2 4.49Å; F445-V472 HydrophobicContact CE2-CG1 4.04Å; F445-V472 HydrophobicContact CG-CB 4.48Å; F445-V472 HydrophobicContact CG-CG1 3.85Å; F445-V472 HydrophobicContact CG-CG2 3.98Å; F445-V472 HydrophobicContact CZ-CG1 4.19Å; V447-V472 HydrophobicContact CG2-CG2 4.24Å; A468-V472 WeakPolarHBondContact O-CG2 3.19Å; A468-V472 PolarHBondContact O-N 2.69Å; I469-V472 PolarHBondContact O-N 3.26Å; V472-T475 PolarHBondContact O-N 3.31Å; V472-C476 PolarHBondContact O-N 3.02Å; V472-C476 PolarHBondContact O-SG 3.4Å; V472-L484 HydrophobicContact CG1-CD1 3.89Å; V472-L484 HydrophobicContact CG1-CD2 3.76Å
473L94.5Very high91.6Very high3 Ų334.7 Ų34.72%0.01618%0.18CC..Hα-helixtrans-66.2-38.5179-70.9170.4000112.3I469 A471 C476 F477 L484 V514 A517 L518 L521 L529 I532I469-L473 HydrophobicContact CG2-CD1 3.81Å; I469-L473 WeakPolarHBondContact O-CB 3.38Å; I469-L473 WeakPolarHBondContact O-CG 3.26Å; I469-L473 PolarHBondContact O-N 3.13Å; A471-L473 VanDerWaalsContact C-N 3.33Å; A471-L473 PolarHBondContact O-N 3.18Å; L473-C476 WeakPolarHBondContact O-CB 3.24Å; L473-C476 PolarHBondContact O-N 3.44Å; L473-F477 VanDerWaalsContact O-CD2 3.23Å; L473-F477 WeakPolarHBondContact O-CD2 3.4Å; L473-F477 PolarHBondContact O-N 3.46Å; L473-L484 HydrophobicContact CD2-CD2 3.66Å; L473-L484 HydrophobicContact CG-CD2 4.42Å; L473-V514 HydrophobicContact CD1-CG1 4.46Å; L473-A517 HydrophobicContact CD1-CB 3.59Å; L473-L518 HydrophobicContact CD1-CD2 4.39Å; L473-L518 HydrophobicContact CD1-CG 4.37Å; L473-L518 HydrophobicContact CD2-CD2 4.06Å; L473-L521 HydrophobicContact CB-CD1 3.59Å; L473-L529 HydrophobicContact CD2-CD2 3.63Å; L473-I532 HydrophobicContact CD2-CD1 4.49Å
474R93.4Very high92.2Very high112 Ų11233.4 Ų33.442%0.42317%0.171SC..Hα-helixtrans-57.9-51.1172.4-80.9166.3-177.2175.22.4111S470 A471 C476 F477 D478 E520 L521S470-R474 WeakPolarHBondContact O-CB 3.47Å; S470-R474 WeakPolarHBondContact O-CD 3.43Å; S470-R474 WeakPolarHBondContact O-CG 3.26Å; S470-R474 PolarHBondContact O-N 3.5Å; A471-R474 WeakPolarHBondContact O-CB 3.45Å; A471-R474 PolarHBondContact O-N 3.37Å; R474-C476 PolarHBondContact O-N 3.24Å; R474-F477 PolarHBondContact O-N 3.33Å; R474-D478 PolarHBondContact O-N 2.94Å; R474-E520 IonicContact CZ-OE1 2.83Å; R474-E520 IonicContact NE-OE1 2.63Å; R474-E520 IonicContact NH2-OE1 2.69Å; R474-E520 PolarHBondContact NH2-OE1 3.49Å; R474-E520 IonicContact NH2-OE2 3.74Å; R474-L521 HydrophobicContact CB-CD2 4.39Å; R474-L521 HydrophobicContact CG-CD1 4.22Å; R474-L521 HydrophobicContact CG-CD2 3.4Å; R474-L521 HydrophobicContact CG-CG 4.38Å
475T93.8Very high92.6Very high28 Ų2831.3 Ų31.317%0.17216%0.157CC..Hα-helixtrans-57.2-37.6175.4-52.20000111.9I427 F445 A471 V472 F477 D478 Y479I427-T475 HydrophobicContact CD1-CG2 4.13Å; F445-T475 HydrophobicContact CE1-CG2 3.77Å; F445-T475 HydrophobicContact CZ-CG2 3.99Å; A471-T475 PolarHBondContact O-N 2.93Å; A471-T475 PolarHBondContact O-OG1 3.47Å; A471-T475 VanDerWaalsContact O-OG1 3.08Å; V472-T475 PolarHBondContact O-N 3.31Å; T475-F477 VanDerWaalsContact C-N 3.32Å; T475-F477 PolarHBondContact O-N 2.99Å; T475-D478 PolarHBondContact O-N 3.18Å; T475-Y479 HydrophobicContact CG2-CD2 3.54Å; T475-Y479 HydrophobicContact CG2-CE2 3.94Å; T475-Y479 WeakPolarHBondContact O-CD2 3.35Å; T475-Y479 PolarHBondContact O-N 3.14Å; T475-Y479 VanDerWaalsContact O-N 3.09Å
476C94.3Very high92.9Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-63.7-36.4177.2-65.20000113.2V472 L473 R474 D480 I481 L529V472-C476 PolarHBondContact O-N 3.02Å; V472-C476 PolarHBondContact O-SG 3.4Å; L473-C476 WeakPolarHBondContact O-CB 3.24Å; L473-C476 PolarHBondContact O-N 3.44Å; R474-C476 PolarHBondContact O-N 3.24Å; C476-D480 PolarHBondContact O-N 3.05Å; C476-I481 HydrophobicContact CB-CB 3.92Å; C476-I481 PolarHBondContact O-N 3.1Å; C476-L529 HydrophobicContact CB-CD1 4.36Å
477F90.5Very high93.1Very high4 Ų430.8 Ų30.82%0.01816%0.155CC..Hα-helixtrans-78.4-35.5176.3-78-122.2000112.2L473 R474 T475 Y479 L518 L521 I522 R525 G526 N528 L529L473-F477 VanDerWaalsContact O-CD2 3.23Å; L473-F477 WeakPolarHBondContact O-CD2 3.4Å; L473-F477 PolarHBondContact O-N 3.46Å; R474-F477 PolarHBondContact O-N 3.33Å; T475-F477 VanDerWaalsContact C-N 3.32Å; T475-F477 PolarHBondContact O-N 2.99Å; F477-Y479 VanDerWaalsContact C-N 3.34Å; F477-L518 HydrophobicContact CE2-CD2 4.06Å; F477-L518 HydrophobicContact CZ-CD2 4.21Å; F477-L521 HydrophobicContact CD1-CB 4.07Å; F477-L521 HydrophobicContact CD2-CB 4.36Å; F477-L521 HydrophobicContact CD2-CD1 4.1Å; F477-L521 HydrophobicContact CE1-CB 3.81Å; F477-L521 HydrophobicContact CE2-CB 4.14Å; F477-L521 HydrophobicContact CE2-CD1 4.11Å; F477-L521 HydrophobicContact CG-CB 4.32Å; F477-L521 HydrophobicContact CZ-CB 3.85Å; F477-I522 HydrophobicContact CZ-CG1 4.42Å; F477-R525 HydrophobicContact CB-CB 4.46Å; F477-R525 HydrophobicContact CD1-CB 3.9Å; F477-G526 WeakPolarHBondContact CD1-O 3.48Å; F477-G526 WeakPolarHBondContact CE1-O 3.46Å; F477-N528 HydrophobicContact CD1-CB 4.27Å; F477-N528 HydrophobicContact CG-CB 4.38Å; F477-N528 PolarHBondContact O-ND2 3.14Å; F477-L529 HydrophobicContact CD2-CB 3.99Å; F477-L529 HydrophobicContact CE2-CB 3.52Å; F477-L529 HydrophobicContact CE2-CD2 3.98Å; F477-L529 HydrophobicContact CE2-CG 4.43Å; F477-L529 HydrophobicContact CZ-CB 4.08Å
478D89.7Confident93.2Very high72 Ų7226.6 Ų26.639%0.38513%0.133SC..Hα-helixtrans-73.1-21.4-179.4-77.6-45000113.9R474 T475 R525R474-D478 PolarHBondContact O-N 2.94Å; T475-D478 PolarHBondContact O-N 3.18Å; D478-R525 IonicContact OD1-CZ 3.56Å; D478-R525 IonicContact OD1-NH1 3.21Å; D478-R525 PolarHBondContact OD1-NH1 2.79Å; D478-R525 IonicContact OD1-NH2 2.7Å; D478-R525 PolarHBondContact OD1-NH2 2.99Å; D478-R525 IonicContact OD2-NH2 2.97Å
479Y90.2Very high93.1Very high157 Ų15726.8 Ų26.862%0.61613%0.133SC*.THydrogen-bonded Turntrans-128.929-175.4-61.9-81.1000114T475 F477 I481T475-Y479 HydrophobicContact CG2-CD2 3.54Å; T475-Y479 HydrophobicContact CG2-CE2 3.94Å; T475-Y479 WeakPolarHBondContact O-CD2 3.35Å; T475-Y479 PolarHBondContact O-N 3.14Å; T475-Y479 VanDerWaalsContact O-N 3.09Å; F477-Y479 VanDerWaalsContact C-N 3.34Å; Y479-I481 VanDerWaalsContact C-N 3.27Å; Y479-I481 PolarHBondContact O-N 2.74Å; Y479-I481 VanDerWaalsContact O-N 3.14Å
480D88.4Confident92.8Very high70 Ų7026.6 Ų26.637%0.37413%0.132SC..THydrogen-bonded Turntrans49.641.1174.7-63.8-30.5000115.2N333 L335 C476 T482 N528N333-D480 HydrophobicContact CB-CB 4.05Å; L335-D480 PolarHBondContact N-O 2.85Å; C476-D480 PolarHBondContact O-N 3.05Å; D480-T482 PolarHBondContact O-N 3.22Å; D480-N528 PolarHBondContact OD1-ND2 3.13Å
481I93.8Very high92.5Very high2 Ų227.2 Ų27.21%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-83.9100.8171.8-51.1177.8000107.7L335 V443 F445 C476 Y479 T483 L529L335-I481 HydrophobicContact CB-CB 4.49Å; L335-I481 HydrophobicContact CB-CG1 4.17Å; L335-I481 CarbonylContact O-C 3.48Å; L335-I481 WeakPolarHBondContact O-CA 3.3Å; L335-I481 WeakPolarHBondContact O-CG2 3.39Å; V443-I481 HydrophobicContact CB-CD1 4.1Å; V443-I481 HydrophobicContact CG1-CD1 4.25Å; V443-I481 HydrophobicContact CG2-CD1 3.89Å; F445-I481 HydrophobicContact CE2-CD1 3.98Å; F445-I481 HydrophobicContact CZ-CD1 3.68Å; C476-I481 HydrophobicContact CB-CB 3.92Å; C476-I481 PolarHBondContact O-N 3.1Å; Y479-I481 VanDerWaalsContact C-N 3.27Å; Y479-I481 PolarHBondContact O-N 2.74Å; Y479-I481 VanDerWaalsContact O-N 3.14Å; I481-T483 WeakPolarHBondContact CG2-O 3.49Å; I481-L529 WeakPolarHBondContact O-CD1 3.25Å
482T92.9Very high91.7Very high11 Ų1127.9 Ų27.97%0.06714%0.138CC..EExtended strand (participates in β ladder)trans-79.8-22.5-174.1600000114.4N333 L335 D480 R530 S531N333-T482 WeakPolarHBondContact O-CG2 3.42Å; L335-T482 PolarHBondContact O-N 2.94Å; L335-T482 PolarHBondContact O-OG1 3.05Å; D480-T482 PolarHBondContact O-N 3.22Å; T482-R530 HydrophobicContact CG2-CG 4.43Å; T482-R530 PolarHBondContact O-N 3.19Å; T482-S531 PolarHBondContact O-N 3.35Å
483T94.1Very high90.8Very high20 Ų2031 Ų3112%0.12316%0.16CC..EExtended strand (participates in β ladder)trans-128.4126.6178.1-55.50000109.9L335 N336 G337 I481 S531 Q533L335-T483 PolarHBondContact O-N 3.2Å; N336-T483 VanDerWaalsContact OD1-CB 3.28Å; N336-T483 WeakPolarHBondContact OD1-CB 3.3Å; N336-T483 PolarHBondContact OD1-OG1 3.12Å; G337-T483 PolarHBondContact N-O 3.4Å; I481-T483 WeakPolarHBondContact CG2-O 3.49Å; T483-S531 WeakPolarHBondContact CA-O 3.17Å; T483-Q533 HydrophobicContact CG2-CG 4.02Å
484L95.9Very high90Very high4 Ų433.5 Ų33.52%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-118.6121.5172.8177.364.9000110.7F445 V472 L473 L486 L529 S531 I532 Q533F445-L484 HydrophobicContact CD2-CD1 4.09Å; F445-L484 HydrophobicContact CE2-CD1 4.12Å; V472-L484 HydrophobicContact CG1-CD1 3.89Å; V472-L484 HydrophobicContact CG1-CD2 3.76Å; L473-L484 HydrophobicContact CD2-CD2 3.66Å; L473-L484 HydrophobicContact CG-CD2 4.42Å; L484-L486 HydrophobicContact CD2-CD2 4.17Å; L484-L486 HydrophobicContact CG-CD2 4.14Å; L484-L529 HydrophobicContact CB-CD1 4.03Å; L484-S531 PolarHBondContact N-O 2.78Å; L484-I532 CarbonylContact O-C 3.59Å; L484-I532 VanDerWaalsContact O-CA 3.3Å; L484-I532 WeakPolarHBondContact O-CA 3.47Å; L484-Q533 PolarHBondContact O-N 2.89Å
485S95.1Very high89.2Confident6 Ų630.7 Ų30.74%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-97.3131.3171.5-52.50000110.1G337 L338 M339 Q533G337-S485 PolarHBondContact O-N 2.89Å; L338-S485 CarbonylContact C-O 3.49Å; L338-S485 WeakPolarHBondContact CA-O 3.37Å; M339-S485 PolarHBondContact N-O 2.87Å; S485-Q533 CarbonylContact C-O 3.57Å; S485-Q533 VanDerWaalsContact CA-O 3.29Å; S485-Q533 WeakPolarHBondContact CA-O 3.33Å
486L95.2Very high88.1Confident4 Ų439 Ų392%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-144.3153.5177.865.2140.4000113.9M339 L484 L488 L490 V514 I532 Q533 F534 L535M339-L486 HydrophobicContact CB-CB 3.76Å; M339-L486 HydrophobicContact CG-CB 4.31Å; M339-L486 HydrophobicContact SD-CB 3.67Å; M339-L486 HydrophobicContact SD-CD1 4.3Å; L484-L486 HydrophobicContact CD2-CD2 4.17Å; L484-L486 HydrophobicContact CG-CD2 4.14Å; L486-L488 PolarHBondContact O-N 3.36Å; L486-L490 HydrophobicContact CD1-CD2 4.31Å; L486-V514 HydrophobicContact CD1-CG2 4.38Å; L486-I532 HydrophobicContact CD2-CG2 3.43Å; L486-I532 VanDerWaalsContact CD2-CG2 3.43Å; L486-Q533 PolarHBondContact N-O 3.45Å; L486-F534 HydrophobicContact CD1-CD1 4.29Å; L486-F534 HydrophobicContact CD1-CE1 4.18Å; L486-F534 HydrophobicContact CD2-CD1 4.36Å; L486-F534 HydrophobicContact CD2-CE1 4.22Å; L486-F534 HydrophobicContact CG-CD1 4.16Å; L486-F534 HydrophobicContact CG-CE1 4.33Å; L486-F534 WeakPolarHBondContact O-CA 3.45Å; L486-L535 PolarHBondContact O-N 3.21Å
487P93.3Very high87.2Confident12 Ų1244.3 Ų44.38%0.07824%0.238CC..EExtended strand (participates in β ladder)trans-67.2124.6176.9-16.130.9000110.9P298 M339 L341 L489 L490P298-P487 HydrophobicContact CG-CB 3.99Å; P298-P487 HydrophobicContact CG-CG 3.76Å; M339-P487 WeakPolarHBondContact O-CD 3.43Å; L341-P487 HydrophobicContact CG-CG 4.32Å; P487-L489 VanDerWaalsContact C-N 3.29Å; P487-L489 PolarHBondContact O-N 3.07Å; P487-L490 HydrophobicContact CB-CD2 4.34Å; P487-L490 HydrophobicContact CG-CD2 4.38Å; P487-L490 WeakPolarHBondContact O-CD2 3.29Å; P487-L490 WeakPolarHBondContact O-CG 3.05Å; P487-L490 PolarHBondContact O-N 2.85Å; P487-L490 VanDerWaalsContact O-N 3.16Å
488L92.7Very high86.8Confident0 Ų044.3 Ų44.30%024%0.238CC..THydrogen-bonded Turntrans-60-36-172.9177.366.3000113.4L293 L486 V507 L511 F534 L535 A536 F548L293-L488 HydrophobicContact CD1-CD2 3.8Å; L486-L488 PolarHBondContact O-N 3.36Å; L488-V507 HydrophobicContact CD1-CG1 4.03Å; L488-V507 HydrophobicContact CD1-CG2 4.35Å; L488-V507 HydrophobicContact CD2-CG2 3.91Å; L488-V507 HydrophobicContact CG-CG1 4.45Å; L488-V507 HydrophobicContact CG-CG2 3.88Å; L488-L511 HydrophobicContact CD1-CD2 4.37Å; L488-F534 HydrophobicContact CB-CB 4.22Å; L488-F534 HydrophobicContact CD1-CB 3.79Å; L488-F534 HydrophobicContact CD1-CD1 3.93Å; L488-F534 HydrophobicContact CD1-CG 3.99Å; L488-L535 WeakPolarHBondContact CB-O 3.38Å; L488-L535 PolarHBondContact N-O 2.98Å; L488-A536 HydrophobicContact CD2-CB 3.97Å; L488-F548 HydrophobicContact CD2-CB 4.27Å; L488-F548 HydrophobicContact CD2-CD2 3.58Å; L488-F548 HydrophobicContact CD2-CE2 4.22Å; L488-F548 HydrophobicContact CD2-CG 4.15Å
489L89.8Confident86.7Confident5 Ų545.2 Ų45.23%0.02624%0.243CC..THydrogen-bonded Turntrans-86.7-21.1-179.5-64.2176.3000113.2P487 V491 V494 R503 R506 V507 P537 W539P487-L489 VanDerWaalsContact C-N 3.29Å; P487-L489 PolarHBondContact O-N 3.07Å; L489-V491 HydrophobicContact CB-CB 4.33Å; L489-V491 HydrophobicContact CB-CG2 4.27Å; L489-V491 PolarHBondContact O-N 3.26Å; L489-V494 HydrophobicContact CD1-CG2 4.3Å; L489-R503 HydrophobicContact CD1-CG 4.48Å; L489-R503 HydrophobicContact CD2-CB 4.23Å; L489-R503 HydrophobicContact CD2-CG 4.49Å; L489-R506 HydrophobicContact CB-CG 4.49Å; L489-R506 HydrophobicContact CD2-CB 4.41Å; L489-R506 HydrophobicContact CD2-CG 4.36Å; L489-R506 WeakPolarHBondContact O-CG 3.25Å; L489-R506 PolarHBondContact O-NE 2.95Å; L489-V507 HydrophobicContact CD2-CG2 3.75Å; L489-P537 HydrophobicContact CD1-CG 4.34Å; L489-W539 HydrophobicContact CD1-CH2 4.48Å
490L89.5Confident86.6Confident0 Ų042.6 Ų42.60%024%0.235CC..  trans4458.9-166.6-60.4179.7000112.3M339 L341 L465 I469 L486 P487 R506 V510M339-L490 HydrophobicContact CE-CD1 4.25Å; M339-L490 HydrophobicContact CE-CD2 3.58Å; M339-L490 HydrophobicContact SD-CD2 3.85Å; L341-L490 HydrophobicContact CD1-CB 4.36Å; L341-L490 HydrophobicContact CD2-CD2 4.19Å; L465-L490 HydrophobicContact CD1-CD1 4.24Å; L465-L490 HydrophobicContact CD2-CB 4.04Å; L465-L490 HydrophobicContact CD2-CD1 4.33Å; L465-L490 HydrophobicContact CG-CD1 4.37Å; I469-L490 HydrophobicContact CD1-CD1 3.49Å; I469-L490 VanDerWaalsContact CD1-CD1 3.49Å; I469-L490 HydrophobicContact CG1-CD1 3.85Å; L486-L490 HydrophobicContact CD1-CD2 4.31Å; P487-L490 HydrophobicContact CB-CD2 4.34Å; P487-L490 HydrophobicContact CG-CD2 4.38Å; P487-L490 WeakPolarHBondContact O-CD2 3.29Å; P487-L490 WeakPolarHBondContact O-CG 3.05Å; P487-L490 PolarHBondContact O-N 2.85Å; P487-L490 VanDerWaalsContact O-N 3.16Å; L490-R506 PolarHBondContact O-NH2 2.75Å; L490-V510 HydrophobicContact CB-CG2 4.19Å; L490-V510 HydrophobicContact CD1-CG1 3.87Å; L490-V510 HydrophobicContact CD1-CG2 4.04Å; L490-V510 HydrophobicContact CG-CG1 4.13Å; L490-V510 HydrophobicContact CG-CG2 4.08Å
491V84.8Confident86.7Confident21 Ų2143.2 Ų43.213%0.12724%0.244CC..  trans-135.9141.9177.8168.40000108.2L489 S493 V494 M498 W502L489-V491 HydrophobicContact CB-CB 4.33Å; L489-V491 HydrophobicContact CB-CG2 4.27Å; L489-V491 PolarHBondContact O-N 3.26Å; V491-S493 WeakPolarHBondContact CG1-O 3.31Å; V491-V494 HydrophobicContact CG1-CG2 4.31Å; V491-M498 HydrophobicContact CG1-CE 3.83Å; V491-M498 HydrophobicContact CG1-SD 3.84Å; V491-M498 HydrophobicContact CG2-CE 4.41Å; V491-M498 HydrophobicContact CG2-SD 4.4Å; V491-W502 HydrophobicContact CG2-CH2 3.65Å; V491-W502 HydrophobicContact CG2-CZ3 4.03Å
492S77.9Confident86.5Confident53 Ų5344.5 Ų44.537%0.37125%0.249SC..SBendtrans-82.7-39.5-175.5-470000112.2E454E454-S492 VanDerWaalsContact OE1-CB 3.25Å; E454-S492 WeakPolarHBondContact OE1-CB 3.43Å; E454-S492 PolarHBondContact OE1-N 2.8Å; E454-S492 PolarHBondContact OE1-OG 2.67Å
493S77Confident86.4Confident68 Ų6845.4 Ų45.448%0.47625%0.251SS..SBendtrans-147.8142169.271.70000111.2V491V491-S493 WeakPolarHBondContact CG1-O 3.31Å
494V77.4Confident86.3Confident55 Ų5545.5 Ų45.533%0.33325%0.254SS..  trans-87.5116.4-179.91760000109.3L489 V491 M498 W539L489-V494 HydrophobicContact CD1-CG2 4.3Å; V491-V494 HydrophobicContact CG1-CG2 4.31Å; V494-M498 HydrophobicContact CB-SD 4.4Å; V494-M498 HydrophobicContact CG1-CB 3.92Å; V494-M498 HydrophobicContact CG1-SD 4.24Å; V494-M498 HydrophobicContact CG2-SD 4.34Å; V494-W539 HydrophobicContact CB-CH2 4.18Å; V494-W539 HydrophobicContact CB-CZ2 3.98Å; V494-W539 HydrophobicContact CG1-CH2 4.01Å; V494-W539 HydrophobicContact CG1-CZ2 4.32Å; V494-W539 HydrophobicContact CG2-CH2 3.8Å; V494-W539 HydrophobicContact CG2-CZ2 3.51Å
495S76.1Confident86Confident52 Ų5250.6 Ų50.636%0.36428%0.276SS..  trans-95.1164.6176.753.60000111.8N497 M498S495-N497 PolarHBondContact O-N 2.88Å; S495-N497 PolarHBondContact OG-OD1 3.45Å; S495-M498 WeakPolarHBondContact O-CB 3.27Å; S495-M498 PolarHBondContact O-N 3Å
496E71.9Confident85.7Confident204 Ų20450.8 Ų50.895%0.95328%0.276SS*.THydrogen-bonded Turntrans-59.3-22.1-173.8-62.1-177.1169.900114.2M498E496-M498 VanDerWaalsContact C-N 3.28Å; E496-M498 PolarHBondContact O-N 3.48Å
497N74.9Confident85.6Confident110 Ų11050.6 Ų50.659%0.58828%0.275SS*.THydrogen-bonded Turntrans-75.8-12177.268.926.9000113.9S495 D499S495-N497 PolarHBondContact O-N 2.88Å; S495-N497 PolarHBondContact OG-OD1 3.45Å; N497-D499 PolarHBondContact O-N 2.93Å
498M82.8Confident85.5Confident5 Ų553.6 Ų53.63%0.02529%0.288CS..  trans-92.469.2-177-59.9-172.7-179.800111V491 V494 S495 E496 W502 R503V491-M498 HydrophobicContact CG1-CE 3.83Å; V491-M498 HydrophobicContact CG1-SD 3.84Å; V491-M498 HydrophobicContact CG2-CE 4.41Å; V491-M498 HydrophobicContact CG2-SD 4.4Å; V494-M498 HydrophobicContact CB-SD 4.4Å; V494-M498 HydrophobicContact CG1-CB 3.92Å; V494-M498 HydrophobicContact CG1-SD 4.24Å; V494-M498 HydrophobicContact CG2-SD 4.34Å; S495-M498 WeakPolarHBondContact O-CB 3.27Å; S495-M498 PolarHBondContact O-N 3Å; E496-M498 VanDerWaalsContact C-N 3.28Å; E496-M498 PolarHBondContact O-N 3.48Å; M498-W502 HydrophobicContact CB-CD2 4Å; M498-W502 HydrophobicContact CB-CE3 3.81Å; M498-W502 HydrophobicContact CB-CG 4.4Å; M498-W502 HydrophobicContact CB-CZ3 4.29Å; M498-W502 HydrophobicContact CE-CH2 3.9Å; M498-W502 HydrophobicContact CE-CZ2 4.01Å; M498-W502 HydrophobicContact CE-CZ3 4.48Å; M498-W502 HydrophobicContact CG-CD2 3.96Å; M498-W502 HydrophobicContact CG-CE3 3.93Å; M498-W502 HydrophobicContact CG-CH2 4.2Å; M498-W502 HydrophobicContact CG-CZ2 4.17Å; M498-W502 HydrophobicContact CG-CZ3 4.06Å; M498-W502 HydrophobicContact SD-CE3 4.18Å; M498-W502 HydrophobicContact SD-CH2 3.73Å; M498-W502 HydrophobicContact SD-CZ2 4.18Å; M498-W502 HydrophobicContact SD-CZ3 3.71Å; M498-R503 PolarHBondContact O-NH1 2.98Å
499D86.5Confident85.4Confident91 Ų9154.4 Ų54.449%0.48729%0.293SS..  trans-64.5176-179.382.7-18.3000114N497 S501 W502 R503N497-D499 PolarHBondContact O-N 2.93Å; D499-S501 PolarHBondContact O-N 2.7Å; D499-S501 WeakPolarHBondContact OD1-CB 3.26Å; D499-S501 PolarHBondContact OD1-N 2.94Å; D499-S501 VanDerWaalsContact OD1-N 3.15Å; D499-W502 PolarHBondContact O-N 3.25Å; D499-W502 VanDerWaalsContact OD1-CB 3.3Å; D499-W502 WeakPolarHBondContact OD1-CB 3.2Å; D499-W502 PolarHBondContact OD1-N 2.96Å; D499-R503 WeakPolarHBondContact O-CG 3.32Å; D499-R503 PolarHBondContact O-N 2.87Å
500K89.4Confident85.5Confident102 Ų10254.2 Ų54.244%0.44329%0.292SS..Hα-helixtrans-55.1-35.4178.9-63.7-161.5172-170.30112.2A504 E543 E544K500-A504 PolarHBondContact O-N 3.34Å; K500-E543 IonicContact NZ-OE2 2.71Å; K500-E543 PolarHBondContact NZ-OE2 2.83Å; K500-E544 HydrophobicContact CD-CG 3.8Å; K500-E544 WeakPolarHBondContact CE-OE2 3.29Å; K500-E544 HydrophobicContact CG-CG 4.16Å; K500-E544 IonicContact NZ-OE2 3.66Å
501S89.1Confident85.7Confident82 Ų8254.2 Ų54.257%0.57329%0.292SS*.Hα-helixtrans-71.6-45.5-179.4-172.80000111.9D499 R503 A504 K505D499-S501 PolarHBondContact O-N 2.7Å; D499-S501 WeakPolarHBondContact OD1-CB 3.26Å; D499-S501 PolarHBondContact OD1-N 2.94Å; D499-S501 VanDerWaalsContact OD1-N 3.15Å; S501-R503 VanDerWaalsContact C-N 3.33Å; S501-R503 PolarHBondContact O-N 3.45Å; S501-A504 PolarHBondContact O-N 2.99Å; S501-K505 WeakPolarHBondContact O-CB 3.45Å; S501-K505 PolarHBondContact O-N 2.88Å
502W90.2Very high85.9Confident29 Ų2958.3 Ų58.311%0.1131%0.308CS..Hα-helixtrans-56.5-47.5172.8-171.8112.3000110.4N457 V491 M498 D499 K505 R506N457-W502 PolarHBondContact ND2-NE1 3.46Å; N457-W502 VanDerWaalsContact ND2-NE1 3.17Å; V491-W502 HydrophobicContact CG2-CH2 3.65Å; V491-W502 HydrophobicContact CG2-CZ3 4.03Å; M498-W502 HydrophobicContact CB-CD2 4Å; M498-W502 HydrophobicContact CB-CE3 3.81Å; M498-W502 HydrophobicContact CB-CG 4.4Å; M498-W502 HydrophobicContact CB-CZ3 4.29Å; M498-W502 HydrophobicContact CE-CH2 3.9Å; M498-W502 HydrophobicContact CE-CZ2 4.01Å; M498-W502 HydrophobicContact CE-CZ3 4.48Å; M498-W502 HydrophobicContact CG-CD2 3.96Å; M498-W502 HydrophobicContact CG-CE3 3.93Å; M498-W502 HydrophobicContact CG-CH2 4.2Å; M498-W502 HydrophobicContact CG-CZ2 4.17Å; M498-W502 HydrophobicContact CG-CZ3 4.06Å; M498-W502 HydrophobicContact SD-CE3 4.18Å; M498-W502 HydrophobicContact SD-CH2 3.73Å; M498-W502 HydrophobicContact SD-CZ2 4.18Å; M498-W502 HydrophobicContact SD-CZ3 3.71Å; D499-W502 PolarHBondContact O-N 3.25Å; D499-W502 VanDerWaalsContact OD1-CB 3.3Å; D499-W502 WeakPolarHBondContact OD1-CB 3.2Å; D499-W502 PolarHBondContact OD1-N 2.96Å; W502-K505 PolarHBondContact O-N 2.98Å; W502-R506 HydrophobicContact CE3-CB 3.9Å; W502-R506 HydrophobicContact CE3-CG 4.44Å; W502-R506 HydrophobicContact CH2-CB 4.1Å; W502-R506 HydrophobicContact CH2-CG 3.83Å; W502-R506 HydrophobicContact CZ3-CB 3.59Å; W502-R506 HydrophobicContact CZ3-CG 3.64Å; W502-R506 WeakPolarHBondContact O-CB 3.25Å; W502-R506 PolarHBondContact O-N 3.45Å
503R90.5Very high86.6Confident31 Ų3156 Ų5612%0.11729%0.292CS..Hα-helixtrans-61.8-48178.9-68.6-171.3-68.8-108.921.4111.9L489 M498 D499 S501 K505 R506 V507 E544 F548L489-R503 HydrophobicContact CD1-CG 4.48Å; L489-R503 HydrophobicContact CD2-CB 4.23Å; L489-R503 HydrophobicContact CD2-CG 4.49Å; M498-R503 PolarHBondContact O-NH1 2.98Å; D499-R503 WeakPolarHBondContact O-CG 3.32Å; D499-R503 PolarHBondContact O-N 2.87Å; S501-R503 VanDerWaalsContact C-N 3.33Å; S501-R503 PolarHBondContact O-N 3.45Å; R503-K505 VanDerWaalsContact C-N 3.32Å; R503-K505 PolarHBondContact O-N 3.15Å; R503-R506 PolarHBondContact O-N 3Å; R503-V507 WeakPolarHBondContact O-CG2 3.43Å; R503-V507 PolarHBondContact O-N 2.87Å; R503-E544 IonicContact CZ-OE1 3Å; R503-E544 IonicContact NE-OE1 2.74Å; R503-E544 PolarHBondContact NE-OE1 2.69Å; R503-E544 IonicContact NH2-OE1 2.63Å; R503-E544 PolarHBondContact NH2-OE1 3.46Å; R503-E544 IonicContact NH2-OE2 3.68Å; R503-F548 HydrophobicContact CB-CE1 4.45Å; R503-F548 HydrophobicContact CB-CZ 4.02Å
504A91.4Very high87.3Confident21 Ų2152.9 Ų52.917%0.17427%0.27CS..Hα-helixtrans-57.3-44.2175.400000112.4K500 S501 V507 E508 V547 F548 I551K500-A504 PolarHBondContact O-N 3.34Å; S501-A504 PolarHBondContact O-N 2.99Å; A504-V507 PolarHBondContact O-N 3.13Å; A504-E508 PolarHBondContact O-N 3.42Å; A504-E508 VanDerWaalsContact O-N 3.08Å; A504-V547 HydrophobicContact CB-CG1 4.16Å; A504-F548 HydrophobicContact CB-CE1 4.42Å; A504-I551 HydrophobicContact CB-CD1 3.86Å
505K90.2Very high87.9Confident112 Ų11253.2 Ų53.249%0.48727%0.267SS..Hα-helixtrans-66.3-36.7176.3-172.1174.6-177.8175.90112.9S501 W502 R503 E508 T509S501-K505 WeakPolarHBondContact O-CB 3.45Å; S501-K505 PolarHBondContact O-N 2.88Å; W502-K505 PolarHBondContact O-N 2.98Å; R503-K505 VanDerWaalsContact C-N 3.32Å; R503-K505 PolarHBondContact O-N 3.15Å; K505-E508 WeakPolarHBondContact O-CB 3.35Å; K505-E508 PolarHBondContact O-N 2.86Å; K505-T509 PolarHBondContact O-N 3.42Å; K505-T509 PolarHBondContact O-OG1 2.92Å
506R89.9Confident88.5Confident9 Ų952.4 Ų52.43%0.03427%0.267CS..Hα-helixtrans-65.9-43.6175.3-176.862.8170.2-157.1-3.6111.5N456 L489 L490 W502 R503 E508 T509 V510N456-R506 PolarHBondContact O-NH1 3.26Å; L489-R506 HydrophobicContact CB-CG 4.49Å; L489-R506 HydrophobicContact CD2-CB 4.41Å; L489-R506 HydrophobicContact CD2-CG 4.36Å; L489-R506 WeakPolarHBondContact O-CG 3.25Å; L489-R506 PolarHBondContact O-NE 2.95Å; L490-R506 PolarHBondContact O-NH2 2.75Å; W502-R506 HydrophobicContact CE3-CB 3.9Å; W502-R506 HydrophobicContact CE3-CG 4.44Å; W502-R506 HydrophobicContact CH2-CB 4.1Å; W502-R506 HydrophobicContact CH2-CG 3.83Å; W502-R506 HydrophobicContact CZ3-CB 3.59Å; W502-R506 HydrophobicContact CZ3-CG 3.64Å; W502-R506 WeakPolarHBondContact O-CB 3.25Å; W502-R506 PolarHBondContact O-N 3.45Å; R503-R506 PolarHBondContact O-N 3Å; R506-E508 VanDerWaalsContact C-N 3.3Å; R506-E508 PolarHBondContact O-N 3.13Å; R506-T509 PolarHBondContact O-N 3.21Å; R506-T509 PolarHBondContact O-OG1 3.3Å; R506-T509 VanDerWaalsContact O-OG1 3.05Å; R506-V510 HydrophobicContact CG-CG2 4.49Å; R506-V510 WeakPolarHBondContact O-CG2 3.37Å; R506-V510 PolarHBondContact O-N 3Å
507V92.1Very high89.3Confident0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-54.7-49.2170.9171.60000110.2L488 L489 R503 A504 T509 V510 L511 F548 I551L488-V507 HydrophobicContact CD1-CG1 4.03Å; L488-V507 HydrophobicContact CD1-CG2 4.35Å; L488-V507 HydrophobicContact CD2-CG2 3.91Å; L488-V507 HydrophobicContact CG-CG1 4.45Å; L488-V507 HydrophobicContact CG-CG2 3.88Å; L489-V507 HydrophobicContact CD2-CG2 3.75Å; R503-V507 WeakPolarHBondContact O-CG2 3.43Å; R503-V507 PolarHBondContact O-N 2.87Å; A504-V507 PolarHBondContact O-N 3.13Å; V507-T509 VanDerWaalsContact C-N 3.32Å; V507-T509 PolarHBondContact O-N 2.95Å; V507-V510 PolarHBondContact O-N 3.38Å; V507-L511 HydrophobicContact CG1-CD1 3.74Å; V507-L511 HydrophobicContact CG1-CG 4.19Å; V507-L511 WeakPolarHBondContact O-CB 3.07Å; V507-L511 VanDerWaalsContact O-CG 3.24Å; V507-L511 WeakPolarHBondContact O-CG 2.95Å; V507-L511 PolarHBondContact O-N 2.82Å; V507-F548 HydrophobicContact CB-CD1 4.33Å; V507-F548 HydrophobicContact CG2-CD1 3.76Å; V507-F548 HydrophobicContact CG2-CD2 4.14Å; V507-F548 HydrophobicContact CG2-CE1 3.81Å; V507-F548 HydrophobicContact CG2-CE2 4.16Å; V507-F548 HydrophobicContact CG2-CG 3.96Å; V507-F548 HydrophobicContact CG2-CZ 4.02Å; V507-I551 HydrophobicContact CG1-CB 4.34Å; V507-I551 HydrophobicContact CG1-CG2 3.93Å
508E91.7Very high90Very high75 Ų7537.5 Ų37.535%0.3519%0.194SC..Hα-helixtrans-59.5-38.9179.1-157.2-157.9-174.600112.9A504 K505 R506 K512 I551A504-E508 PolarHBondContact O-N 3.42Å; A504-E508 VanDerWaalsContact O-N 3.08Å; K505-E508 WeakPolarHBondContact O-CB 3.35Å; K505-E508 PolarHBondContact O-N 2.86Å; R506-E508 VanDerWaalsContact C-N 3.3Å; R506-E508 PolarHBondContact O-N 3.13Å; E508-K512 HydrophobicContact CG-CD 4.38Å; E508-K512 WeakPolarHBondContact O-CB 3.45Å; E508-K512 WeakPolarHBondContact O-CD 3.44Å; E508-K512 WeakPolarHBondContact O-CG 3.41Å; E508-K512 PolarHBondContact O-N 2.89Å; E508-K512 VanDerWaalsContact OE1-CE 3.24Å; E508-K512 WeakPolarHBondContact OE1-CE 3.42Å; E508-K512 IonicContact OE1-NZ 2.7Å; E508-K512 PolarHBondContact OE1-NZ 3.1Å; E508-K512 IonicContact OE2-NZ 2.69Å; E508-K512 PolarHBondContact OE2-NZ 2.87Å; E508-K512 VanDerWaalsContact OE2-NZ 3.12Å; E508-I551 HydrophobicContact CB-CG2 4.08Å; E508-I551 HydrophobicContact CG-CG2 4.21Å
509T90.9Very high90.2Very high18 Ų1839.7 Ų39.711%0.1121%0.205CC..Hα-helixtrans-74.2-38.7178.357.50000113.1N457 K505 R506 V507 K512 A513N457-T509 PolarHBondContact O-OG1 3.46Å; K505-T509 PolarHBondContact O-N 3.42Å; K505-T509 PolarHBondContact O-OG1 2.92Å; R506-T509 PolarHBondContact O-N 3.21Å; R506-T509 PolarHBondContact O-OG1 3.3Å; R506-T509 VanDerWaalsContact O-OG1 3.05Å; V507-T509 VanDerWaalsContact C-N 3.32Å; V507-T509 PolarHBondContact O-N 2.95Å; T509-K512 PolarHBondContact O-N 3.17Å; T509-A513 PolarHBondContact O-N 2.87Å
510V92.3Very high90.1Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-60.2-49.1172.9173.70000110.5I459 L490 R506 V507 K512 A513 V514I459-V510 HydrophobicContact CD1-CB 4.34Å; I459-V510 HydrophobicContact CD1-CG2 3.45Å; I459-V510 VanDerWaalsContact CD1-CG2 3.45Å; L490-V510 HydrophobicContact CB-CG2 4.19Å; L490-V510 HydrophobicContact CD1-CG1 3.87Å; L490-V510 HydrophobicContact CD1-CG2 4.04Å; L490-V510 HydrophobicContact CG-CG1 4.13Å; L490-V510 HydrophobicContact CG-CG2 4.08Å; R506-V510 HydrophobicContact CG-CG2 4.49Å; R506-V510 WeakPolarHBondContact O-CG2 3.37Å; R506-V510 PolarHBondContact O-N 3Å; V507-V510 PolarHBondContact O-N 3.38Å; V510-K512 VanDerWaalsContact C-N 3.34Å; V510-K512 PolarHBondContact O-N 2.87Å; V510-A513 PolarHBondContact O-N 2.88Å; V510-V514 HydrophobicContact CG1-CG2 4.5Å; V510-V514 WeakPolarHBondContact O-CG2 3.15Å; V510-V514 PolarHBondContact O-N 3.27Å
511L92.3Very high89.9Confident0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-65.6-35.8-179.8-63.7-179.6000112.4L488 V507 K515 F534 I551 I552 F556L488-L511 HydrophobicContact CD1-CD2 4.37Å; V507-L511 HydrophobicContact CG1-CD1 3.74Å; V507-L511 HydrophobicContact CG1-CG 4.19Å; V507-L511 WeakPolarHBondContact O-CB 3.07Å; V507-L511 VanDerWaalsContact O-CG 3.24Å; V507-L511 WeakPolarHBondContact O-CG 2.95Å; V507-L511 PolarHBondContact O-N 2.82Å; L511-K515 WeakPolarHBondContact O-CB 3.46Å; L511-K515 PolarHBondContact O-N 3.48Å; L511-F534 HydrophobicContact CD2-CD1 4.06Å; L511-F534 HydrophobicContact CD2-CD2 4.47Å; L511-F534 HydrophobicContact CD2-CE1 3.48Å; L511-F534 VanDerWaalsContact CD2-CE1 3.48Å; L511-F534 HydrophobicContact CD2-CE2 3.95Å; L511-F534 HydrophobicContact CD2-CZ 3.42Å; L511-F534 VanDerWaalsContact CD2-CZ 3.42Å; L511-I551 HydrophobicContact CD1-CG2 4.14Å; L511-I552 HydrophobicContact CD1-CB 4.27Å; L511-I552 HydrophobicContact CD1-CG1 3.53Å; L511-I552 HydrophobicContact CD2-CG1 4.43Å; L511-F556 HydrophobicContact CB-CE2 3.92Å; L511-F556 HydrophobicContact CB-CZ 4.27Å; L511-F556 HydrophobicContact CD1-CE2 4.31Å; L511-F556 HydrophobicContact CD2-CE2 4.06Å; L511-F556 HydrophobicContact CG-CE2 4.3Å
512K90.4Very high89.6Confident108 Ų10831.6 Ų31.647%0.4716%0.157SC..Hα-helixtrans-64-41.3172.3-78.6169.7-177169.30112.4E508 T509 V510 K515 G516E508-K512 HydrophobicContact CG-CD 4.38Å; E508-K512 WeakPolarHBondContact O-CB 3.45Å; E508-K512 WeakPolarHBondContact O-CD 3.44Å; E508-K512 WeakPolarHBondContact O-CG 3.41Å; E508-K512 PolarHBondContact O-N 2.89Å; E508-K512 VanDerWaalsContact OE1-CE 3.24Å; E508-K512 WeakPolarHBondContact OE1-CE 3.42Å; E508-K512 IonicContact OE1-NZ 2.7Å; E508-K512 PolarHBondContact OE1-NZ 3.1Å; E508-K512 IonicContact OE2-NZ 2.69Å; E508-K512 PolarHBondContact OE2-NZ 2.87Å; E508-K512 VanDerWaalsContact OE2-NZ 3.12Å; T509-K512 PolarHBondContact O-N 3.17Å; V510-K512 VanDerWaalsContact C-N 3.34Å; V510-K512 PolarHBondContact O-N 2.87Å; K512-K515 PolarHBondContact O-N 2.82Å; K512-G516 PolarHBondContact O-N 3.33Å
513A91.6Very high89.1Confident5 Ų535 Ų354%0.04118%0.181CC..Hα-helixtrans-64.3-49.1176.200000111.6I459 I469 T509 V510 K515 G516 A517I459-A513 HydrophobicContact CG2-CB 3.76Å; I469-A513 HydrophobicContact CD1-CB 3.94Å; T509-A513 PolarHBondContact O-N 2.87Å; V510-A513 PolarHBondContact O-N 2.88Å; A513-K515 PolarHBondContact O-N 2.94Å; A513-G516 PolarHBondContact O-N 2.73Å; A513-A517 PolarHBondContact O-N 3.17Å
514V92.2Very high88.3Confident2 Ų243 Ų431%0.01221%0.211CC..Hα-helixtrans-58.2-46.3174.7172.40000110.8I469 L473 L486 V510 G516 A517 L518 I532 F534I469-V514 HydrophobicContact CG2-CG2 3.93Å; L473-V514 HydrophobicContact CD1-CG1 4.46Å; L486-V514 HydrophobicContact CD1-CG2 4.38Å; V510-V514 HydrophobicContact CG1-CG2 4.5Å; V510-V514 WeakPolarHBondContact O-CG2 3.15Å; V510-V514 PolarHBondContact O-N 3.27Å; V514-G516 PolarHBondContact O-N 3.02Å; V514-A517 PolarHBondContact O-N 3.38Å; V514-L518 HydrophobicContact CG1-CD1 3.72Å; V514-L518 HydrophobicContact CG1-CG 4.21Å; V514-L518 WeakPolarHBondContact O-CB 3.43Å; V514-L518 VanDerWaalsContact O-CG 3.22Å; V514-L518 WeakPolarHBondContact O-CG 3.33Å; V514-L518 PolarHBondContact O-N 3.39Å; V514-I532 HydrophobicContact CG1-CD1 4.1Å; V514-F534 HydrophobicContact CG1-CZ 4.45Å
515K89.8Confident87.5Confident62 Ų6248.5 Ų48.527%0.2723%0.227SC..Hα-helixtrans-58.6-44.1176.4-171.8173.3-175.2178.70112.4L281 L511 K512 A513 M519 S555 F556L281-K515 HydrophobicContact CD2-CG 4.07Å; L511-K515 WeakPolarHBondContact O-CB 3.46Å; L511-K515 PolarHBondContact O-N 3.48Å; K512-K515 PolarHBondContact O-N 2.82Å; A513-K515 PolarHBondContact O-N 2.94Å; K515-M519 HydrophobicContact CG-CG 4.49Å; K515-M519 WeakPolarHBondContact O-CB 3.36Å; K515-M519 WeakPolarHBondContact O-CG 3.14Å; K515-M519 PolarHBondContact O-N 3.39Å; K515-S555 WeakPolarHBondContact CD-O 3.33Å; K515-S555 WeakPolarHBondContact CE-O 3.48Å; K515-S555 PolarHBondContact NZ-O 2.86Å; K515-F556 HydrophobicContact CB-CD1 4.46Å; K515-F556 HydrophobicContact CB-CE1 3.51Å; K515-F556 HydrophobicContact CB-CZ 3.91Å; K515-F556 HydrophobicContact CD-CD1 4.01Å; K515-F556 HydrophobicContact CD-CE1 3.87Å; K515-F556 HydrophobicContact CG-CD1 4.17Å; K515-F556 HydrophobicContact CG-CE1 3.66Å; K515-F556 HydrophobicContact CG-CZ 4.5Å
516G88.6Confident86.6Confident35 Ų3544.3 Ų44.336%0.36122%0.217SC..Hα-helixtrans-60.9-52.9178.300000112K512 A513 V514 L518 M519 E520K512-G516 PolarHBondContact O-N 3.33Å; A513-G516 PolarHBondContact O-N 2.73Å; V514-G516 PolarHBondContact O-N 3.02Å; G516-L518 PolarHBondContact O-N 2.67Å; G516-M519 PolarHBondContact O-N 2.91Å; G516-E520 PolarHBondContact O-N 2.98Å; G516-E520 VanDerWaalsContact O-N 3.11Å
517A89.4Confident85.7Confident1 Ų147.9 Ų47.91%0.00824%0.241CC..Hα-helixtrans-61.4-43178.500000112.6L473 A513 V514 E520 L521L473-A517 HydrophobicContact CD1-CB 3.59Å; A513-A517 PolarHBondContact O-N 3.17Å; V514-A517 PolarHBondContact O-N 3.38Å; A517-E520 WeakPolarHBondContact O-CB 3.27Å; A517-E520 PolarHBondContact O-N 3.44Å; A517-L521 VanDerWaalsContact O-CG 3.26Å; A517-L521 WeakPolarHBondContact O-CG 3.39Å; A517-L521 PolarHBondContact O-N 3.12Å
518L89.5Confident85Confident0 Ų050.2 Ų50.20%025%0.253CS..Hα-helixtrans-62.3-45.5175.9-70.6173.2000112.2L281 F289 F291 L473 F477 V514 G516 E520 L521 I522 L529 I532L281-L518 HydrophobicContact CD1-CB 3.66Å; L281-L518 HydrophobicContact CD1-CD1 3.62Å; L281-L518 HydrophobicContact CD1-CG 4.31Å; F289-L518 HydrophobicContact CE1-CD2 3.98Å; F289-L518 HydrophobicContact CZ-CD2 4.25Å; F291-L518 HydrophobicContact CE1-CD1 4.32Å; F291-L518 HydrophobicContact CZ-CD1 3.9Å; L473-L518 HydrophobicContact CD1-CD2 4.39Å; L473-L518 HydrophobicContact CD1-CG 4.37Å; L473-L518 HydrophobicContact CD2-CD2 4.06Å; F477-L518 HydrophobicContact CE2-CD2 4.06Å; F477-L518 HydrophobicContact CZ-CD2 4.21Å; V514-L518 HydrophobicContact CG1-CD1 3.72Å; V514-L518 HydrophobicContact CG1-CG 4.21Å; V514-L518 WeakPolarHBondContact O-CB 3.43Å; V514-L518 VanDerWaalsContact O-CG 3.22Å; V514-L518 WeakPolarHBondContact O-CG 3.33Å; V514-L518 PolarHBondContact O-N 3.39Å; G516-L518 PolarHBondContact O-N 2.67Å; L518-E520 VanDerWaalsContact C-N 3.26Å; L518-E520 PolarHBondContact O-N 3.21Å; L518-L521 PolarHBondContact O-N 2.91Å; L518-L521 VanDerWaalsContact O-N 3.15Å; L518-I522 HydrophobicContact CB-CD1 4.26Å; L518-I522 WeakPolarHBondContact O-CB 3.33Å; L518-I522 WeakPolarHBondContact O-CD1 3.22Å; L518-I522 WeakPolarHBondContact O-CG1 3.47Å; L518-I522 PolarHBondContact O-N 3.41Å; L518-L529 HydrophobicContact CD2-CD2 3.85Å; L518-I532 HydrophobicContact CD1-CD1 3.7Å; L518-I532 HydrophobicContact CD2-CD1 4.15Å; L518-I532 HydrophobicContact CG-CD1 4.43Å
519M86Confident84.5Confident51 Ų5146.7 Ų46.725%0.25124%0.237SC..Hα-helixtrans-60.5-36178.5-75.3-68.4-54.300112.4L281 G282 R283 K515 G516 T523L281-M519 HydrophobicContact CB-SD 3.91Å; L281-M519 HydrophobicContact CD2-CG 4.42Å; L281-M519 HydrophobicContact CD2-SD 4.04Å; L281-M519 HydrophobicContact CG-SD 4.49Å; G282-M519 PolarHBondContact N-SD 3.19Å; R283-M519 HydrophobicContact CG-CE 4.34Å; K515-M519 HydrophobicContact CG-CG 4.49Å; K515-M519 WeakPolarHBondContact O-CB 3.36Å; K515-M519 WeakPolarHBondContact O-CG 3.14Å; K515-M519 PolarHBondContact O-N 3.39Å; G516-M519 PolarHBondContact O-N 2.91Å; M519-T523 PolarHBondContact O-OG1 2.65Å
520E84.9Confident84.3Confident77 Ų7752.6 Ų52.636%0.3626%0.257SS..Hα-helixtrans-63.6-53.4170.9-170.8-169.1129.300110.7R474 G516 A517 L518 T523R474-E520 IonicContact CZ-OE1 2.83Å; R474-E520 IonicContact NE-OE1 2.63Å; R474-E520 IonicContact NH2-OE1 2.69Å; R474-E520 PolarHBondContact NH2-OE1 3.49Å; R474-E520 IonicContact NH2-OE2 3.74Å; G516-E520 PolarHBondContact O-N 2.98Å; G516-E520 VanDerWaalsContact O-N 3.11Å; A517-E520 WeakPolarHBondContact O-CB 3.27Å; A517-E520 PolarHBondContact O-N 3.44Å; L518-E520 VanDerWaalsContact C-N 3.26Å; L518-E520 PolarHBondContact O-N 3.21Å; E520-T523 WeakPolarHBondContact O-CB 3.49Å; E520-T523 PolarHBondContact O-N 3.38Å
521L85.5Confident84.3Confident11 Ų1153.5 Ų53.56%0.05826%0.264CS..Hα-helixtrans-68.7-41.3-171.6-65.4168.9000114L473 R474 F477 A517 L518 T523 W524 R525L473-L521 HydrophobicContact CB-CD1 3.59Å; R474-L521 HydrophobicContact CB-CD2 4.39Å; R474-L521 HydrophobicContact CG-CD1 4.22Å; R474-L521 HydrophobicContact CG-CD2 3.4Å; R474-L521 HydrophobicContact CG-CG 4.38Å; F477-L521 HydrophobicContact CD1-CB 4.07Å; F477-L521 HydrophobicContact CD2-CB 4.36Å; F477-L521 HydrophobicContact CD2-CD1 4.1Å; F477-L521 HydrophobicContact CE1-CB 3.81Å; F477-L521 HydrophobicContact CE2-CB 4.14Å; F477-L521 HydrophobicContact CE2-CD1 4.11Å; F477-L521 HydrophobicContact CG-CB 4.32Å; F477-L521 HydrophobicContact CZ-CB 3.85Å; A517-L521 VanDerWaalsContact O-CG 3.26Å; A517-L521 WeakPolarHBondContact O-CG 3.39Å; A517-L521 PolarHBondContact O-N 3.12Å; L518-L521 PolarHBondContact O-N 2.91Å; L518-L521 VanDerWaalsContact O-N 3.15Å; L521-T523 PolarHBondContact O-N 2.9Å; L521-W524 PolarHBondContact O-N 2.86Å; L521-W524 VanDerWaalsContact O-N 3.13Å; L521-R525 PolarHBondContact O-N 2.96Å
522I83.2Confident84.3Confident17 Ų1753.6 Ų53.69%0.08726%0.264CS..Hα-helixtrans-55.8-40.2175.5-64.8155.3000110.7L281 T287 F289 F477 L518 W524 G526L281-I522 HydrophobicContact CB-CD1 3.57Å; L281-I522 HydrophobicContact CD1-CD1 4.14Å; T287-I522 WeakPolarHBondContact OG1-CG2 3.4Å; F289-I522 HydrophobicContact CE2-CD1 3.41Å; F289-I522 VanDerWaalsContact CE2-CD1 3.41Å; F289-I522 HydrophobicContact CE2-CG1 4Å; F289-I522 HydrophobicContact CZ-CD1 3.59Å; F289-I522 HydrophobicContact CZ-CG1 3.72Å; F477-I522 HydrophobicContact CZ-CG1 4.42Å; L518-I522 HydrophobicContact CB-CD1 4.26Å; L518-I522 WeakPolarHBondContact O-CB 3.33Å; L518-I522 WeakPolarHBondContact O-CD1 3.22Å; L518-I522 WeakPolarHBondContact O-CG1 3.47Å; L518-I522 PolarHBondContact O-N 3.41Å; I522-W524 VanDerWaalsContact C-N 3.27Å; I522-W524 PolarHBondContact O-N 3.06Å; I522-G526 PolarHBondContact O-N 2.85Å
523T78.5Confident84.5Confident99 Ų9948.7 Ų48.761%0.60724%0.243SC*.Hα-helixtrans-65.4-30.2-177.2-56.40000112.2M519 E520 L521M519-T523 PolarHBondContact O-OG1 2.65Å; E520-T523 WeakPolarHBondContact O-CB 3.49Å; E520-T523 PolarHBondContact O-N 3.38Å; L521-T523 PolarHBondContact O-N 2.9Å
524W73.7Confident84.6Confident199 Ų19948.5 Ų48.575%0.75424%0.241SC*.Hα-helixtrans-107.5-26.5-174.3-63.3115.7000115.2L521 I522L521-W524 PolarHBondContact O-N 2.86Å; L521-W524 VanDerWaalsContact O-N 3.13Å; I522-W524 VanDerWaalsContact C-N 3.27Å; I522-W524 PolarHBondContact O-N 3.06Å
525R74.1Confident84.7Confident137 Ų13748.4 Ų48.452%0.51724%0.24SC..Hα-helixtrans-123.8-7.6-168.4-62.4-57.2-164.8108.419.6115.2F477 D478 L521F477-R525 HydrophobicContact CB-CB 4.46Å; F477-R525 HydrophobicContact CD1-CB 3.9Å; D478-R525 IonicContact OD1-CZ 3.56Å; D478-R525 IonicContact OD1-NH1 3.21Å; D478-R525 PolarHBondContact OD1-NH1 2.79Å; D478-R525 IonicContact OD1-NH2 2.7Å; D478-R525 PolarHBondContact OD1-NH2 2.99Å; D478-R525 IonicContact OD2-NH2 2.97Å; L521-R525 PolarHBondContact O-N 2.96Å
526G71.6Confident84.7Confident25 Ų2545.4 Ų45.426%0.25823%0.227SC..  trans76.5-173.6-177.400000113.9F477 I522 N528F477-G526 WeakPolarHBondContact CD1-O 3.48Å; F477-G526 WeakPolarHBondContact CE1-O 3.46Å; I522-G526 PolarHBondContact O-N 2.85Å; G526-N528 PolarHBondContact O-N 3.22Å
527P71.7Confident84.7Confident83 Ų8344.5 Ų44.554%0.53922%0.215SC..SBendtrans-93.169.2-165.237.5-37.2000114.1T287T287-P527 HydrophobicContact CG2-CB 3.48Å; T287-P527 VanDerWaalsContact CG2-CB 3.48Å
528N76.4Confident84.4Confident50 Ų5047 Ų4727%0.26723%0.232SC..  trans-82.3-52.1-179-67.84.1000112.5F477 D480 G526 R530F477-N528 HydrophobicContact CD1-CB 4.27Å; F477-N528 HydrophobicContact CG-CB 4.38Å; F477-N528 PolarHBondContact O-ND2 3.14Å; D480-N528 PolarHBondContact OD1-ND2 3.13Å; G526-N528 PolarHBondContact O-N 3.22Å; N528-R530 PolarHBondContact O-N 2.85Å
529L81.2Confident84.2Confident1 Ų152.4 Ų52.41%0.00525%0.253CS..  trans-71.5125.8175.1-17768.5000109.9F289 L473 C476 F477 I481 L484 L518 I532F289-L529 WeakPolarHBondContact CD1-O 3.45Å; F289-L529 HydrophobicContact CE1-CB 4.26Å; F289-L529 HydrophobicContact CE1-CG 4.41Å; F289-L529 WeakPolarHBondContact CE1-O 3.37Å; L473-L529 HydrophobicContact CD2-CD2 3.63Å; C476-L529 HydrophobicContact CB-CD1 4.36Å; F477-L529 HydrophobicContact CD2-CB 3.99Å; F477-L529 HydrophobicContact CE2-CB 3.52Å; F477-L529 HydrophobicContact CE2-CD2 3.98Å; F477-L529 HydrophobicContact CE2-CG 4.43Å; F477-L529 HydrophobicContact CZ-CB 4.08Å; I481-L529 WeakPolarHBondContact O-CD1 3.25Å; L484-L529 HydrophobicContact CB-CD1 4.03Å; L518-L529 HydrophobicContact CD2-CD2 3.85Å; L529-I532 HydrophobicContact CD2-CD1 3.74Å; L529-I532 HydrophobicContact CD2-CG1 3.88Å; L529-I532 HydrophobicContact CG-CG1 4.31Å
530R86.7Confident84.2Confident142 Ų14250.1 Ų50.154%0.53624%0.242SC..  trans-109.7-32.7-174.8-56.1-175.1-175.6-1653.4113.1N290 T482 N528N290-R530 PolarHBondContact N-O 3.37Å; T482-R530 HydrophobicContact CG2-CG 4.43Å; T482-R530 PolarHBondContact O-N 3.19Å; N528-R530 PolarHBondContact O-N 2.85Å
531S92.3Very high84.4Confident19 Ų1949.2 Ų49.213%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-134138.3-171.4-173.70000111.6N290 T482 T483 L484N290-S531 CarbonylContact O-C 3.56Å; N290-S531 VanDerWaalsContact O-CA 3.23Å; N290-S531 WeakPolarHBondContact O-CA 3.28Å; N290-S531 PolarHBondContact O-OG 3.28Å; T482-S531 PolarHBondContact O-N 3.35Å; T483-S531 WeakPolarHBondContact CA-O 3.17Å; L484-S531 PolarHBondContact N-O 2.78Å
532I94Very high84.5Confident1 Ų153.1 Ų53.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-129.5120172.7-56.1-173000108.9N290 F291 R292 L473 L484 L486 V514 L518 L529 F534N290-I532 PolarHBondContact O-N 2.93Å; F291-I532 CarbonylContact C-O 3.57Å; F291-I532 VanDerWaalsContact CA-O 3.28Å; F291-I532 WeakPolarHBondContact CA-O 3.49Å; F291-I532 HydrophobicContact CD1-CB 3.7Å; F291-I532 HydrophobicContact CD1-CD1 4.35Å; F291-I532 HydrophobicContact CD1-CG1 4.1Å; F291-I532 HydrophobicContact CE1-CB 3.89Å; F291-I532 HydrophobicContact CE1-CD1 3.63Å; F291-I532 HydrophobicContact CE1-CG1 3.82Å; F291-I532 HydrophobicContact CZ-CD1 4.27Å; R292-I532 PolarHBondContact N-O 2.71Å; L473-I532 HydrophobicContact CD2-CD1 4.49Å; L484-I532 CarbonylContact O-C 3.59Å; L484-I532 VanDerWaalsContact O-CA 3.3Å; L484-I532 WeakPolarHBondContact O-CA 3.47Å; L486-I532 HydrophobicContact CD2-CG2 3.43Å; L486-I532 VanDerWaalsContact CD2-CG2 3.43Å; V514-I532 HydrophobicContact CG1-CD1 4.1Å; L518-I532 HydrophobicContact CD1-CD1 3.7Å; L518-I532 HydrophobicContact CD2-CD1 4.15Å; L518-I532 HydrophobicContact CG-CD1 4.43Å; L529-I532 HydrophobicContact CD2-CD1 3.74Å; L529-I532 HydrophobicContact CD2-CG1 3.88Å; L529-I532 HydrophobicContact CG-CG1 4.31Å; I532-F534 HydrophobicContact CB-CE2 4.48Å; I532-F534 HydrophobicContact CG2-CD2 4.48Å; I532-F534 HydrophobicContact CG2-CE1 4.09Å; I532-F534 HydrophobicContact CG2-CE2 3.95Å; I532-F534 HydrophobicContact CG2-CZ 3.73Å
533Q93.8Very high84.8Confident6 Ų658.7 Ų58.73%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-101.6118.5178.6-45.8-168.99.100109.5R292 I294 T483 L484 S485 L486R292-Q533 HydrophobicContact CB-CB 4.47Å; R292-Q533 HydrophobicContact CB-CG 4.28Å; R292-Q533 CarbonylContact O-C 3.54Å; R292-Q533 WeakPolarHBondContact O-CA 3.45Å; I294-Q533 HydrophobicContact CD1-CB 4.17Å; T483-Q533 HydrophobicContact CG2-CG 4.02Å; L484-Q533 PolarHBondContact O-N 2.89Å; S485-Q533 CarbonylContact C-O 3.57Å; S485-Q533 VanDerWaalsContact CA-O 3.29Å; S485-Q533 WeakPolarHBondContact CA-O 3.33Å; L486-Q533 PolarHBondContact N-O 3.45Å
534F94.5Very high85.4Confident0 Ų054.5 Ų54.50%026%0.261CS..EExtended strand (participates in β ladder)trans-94.8113.5174.5-62.6-77000109.7F291 R292 L293 I294 L486 L488 L511 V514 I532 A536F291-F534 HydrophobicContact CB-CE2 4.11Å; F291-F534 HydrophobicContact CD1-CE2 4.49Å; F291-F534 HydrophobicContact CD2-CE2 4.01Å; F291-F534 AromaticContact CG-CE2 3.97Å; F291-F534 HydrophobicContact CG-CE2 3.97Å; R292-F534 PolarHBondContact O-N 3.24Å; L293-F534 HydrophobicContact CD1-CB 4.29Å; I294-F534 PolarHBondContact N-O 3.4Å; L486-F534 HydrophobicContact CD1-CD1 4.29Å; L486-F534 HydrophobicContact CD1-CE1 4.18Å; L486-F534 HydrophobicContact CD2-CD1 4.36Å; L486-F534 HydrophobicContact CD2-CE1 4.22Å; L486-F534 HydrophobicContact CG-CD1 4.16Å; L486-F534 HydrophobicContact CG-CE1 4.33Å; L486-F534 WeakPolarHBondContact O-CA 3.45Å; L488-F534 HydrophobicContact CB-CB 4.22Å; L488-F534 HydrophobicContact CD1-CB 3.79Å; L488-F534 HydrophobicContact CD1-CD1 3.93Å; L488-F534 HydrophobicContact CD1-CG 3.99Å; L511-F534 HydrophobicContact CD2-CD1 4.06Å; L511-F534 HydrophobicContact CD2-CD2 4.47Å; L511-F534 HydrophobicContact CD2-CE1 3.48Å; L511-F534 VanDerWaalsContact CD2-CE1 3.48Å; L511-F534 HydrophobicContact CD2-CE2 3.95Å; L511-F534 HydrophobicContact CD2-CZ 3.42Å; L511-F534 VanDerWaalsContact CD2-CZ 3.42Å; V514-F534 HydrophobicContact CG1-CZ 4.45Å; I532-F534 HydrophobicContact CB-CE2 4.48Å; I532-F534 HydrophobicContact CG2-CD2 4.48Å; I532-F534 HydrophobicContact CG2-CE1 4.09Å; I532-F534 HydrophobicContact CG2-CE2 3.95Å; I532-F534 HydrophobicContact CG2-CZ 3.73Å; F534-A536 PolarHBondContact O-N 3.43Å
535L93Very high86.2Confident0 Ų045.1 Ų45.10%023%0.226CC..EExtended strand (participates in β ladder)trans-85.9105178.9-56.1-179.9000109.2I294 P298 F301 L338 L486 L488I294-L535 HydrophobicContact CB-CD2 4.25Å; I294-L535 HydrophobicContact CD1-CD2 4.25Å; P298-L535 HydrophobicContact CB-CD1 4.23Å; P298-L535 HydrophobicContact CG-CB 4.39Å; P298-L535 HydrophobicContact CG-CD1 4.15Å; F301-L535 HydrophobicContact CB-CD1 4.36Å; F301-L535 HydrophobicContact CD2-CD1 4.31Å; F301-L535 HydrophobicContact CD2-CD2 3.89Å; F301-L535 HydrophobicContact CE2-CD2 4.06Å; F301-L535 HydrophobicContact CG-CD1 4.16Å; L338-L535 HydrophobicContact CD1-CD1 3.98Å; L486-L535 PolarHBondContact O-N 3.21Å; L488-L535 WeakPolarHBondContact CB-O 3.38Å; L488-L535 PolarHBondContact N-O 2.98Å
536A90.9Very high86.9Confident0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-89.6126.4172.900000109.5L293 I294 R295 L296 L488 F534 I540 L545L293-A536 HydrophobicContact CD1-CB 3.99Å; I294-A536 PolarHBondContact O-N 2.93Å; R295-A536 CarbonylContact C-O 3.5Å; R295-A536 WeakPolarHBondContact CA-O 3.41Å; L296-A536 CarbonylContact C-O 3.56Å; L296-A536 PolarHBondContact N-O 3.46Å; L488-A536 HydrophobicContact CD2-CB 3.97Å; F534-A536 PolarHBondContact O-N 3.43Å; A536-I540 HydrophobicContact CB-CD1 4.11Å; A536-L545 HydrophobicContact CB-CD1 4Å
537P87.2Confident87.9Confident16 Ų1643.8 Ų43.810%0.10423%0.225CC..  trans-45.8144.7177-3232.8000116.3D297 L489 W539 I540D297-P537 VanDerWaalsContact OD1-CA 3.29Å; D297-P537 WeakPolarHBondContact OD1-CA 3.46Å; D297-P537 VanDerWaalsContact OD1-CB 3.28Å; D297-P537 WeakPolarHBondContact OD1-CB 3.42Å; L489-P537 HydrophobicContact CD1-CG 4.34Å; P537-W539 VanDerWaalsContact C-N 3.29Å; P537-W539 HydrophobicContact CB-CD2 4.25Å; P537-W539 VanDerWaalsContact CB-CE2 3.45Å; P537-W539 HydrophobicContact CB-CG 4.49Å; P537-W539 HydrophobicContact CB-CZ2 3.64Å; P537-W539 VanDerWaalsContact CB-NE1 3.28Å; P537-W539 HydrophobicContact CG-CZ2 3.94Å; P537-W539 PolarHBondContact O-N 3.01Å; P537-I540 HydrophobicContact CB-CD1 3.84Å; P537-I540 HydrophobicContact CB-CG1 4.35Å; P537-I540 VanDerWaalsContact CD-CD1 3.47Å; P537-I540 HydrophobicContact CG-CD1 3.98Å; P537-I540 WeakPolarHBondContact O-CB 3.43Å; P537-I540 PolarHBondContact O-N 2.9Å
538S83.4Confident88.9Confident52 Ų5239.9 Ų39.936%0.36420%0.2SC..THydrogen-bonded Turntrans-59.2-34.6-172.658.80000114R295 D297 I540R295-S538 WeakPolarHBondContact CD-O 3.5Å; D297-S538 WeakPolarHBondContact OD2-CB 3.38Å; D297-S538 PolarHBondContact OD2-N 3.35Å; D297-S538 PolarHBondContact OD2-OG 2.89Å; S538-I540 VanDerWaalsContact C-N 3.3Å; S538-I540 PolarHBondContact O-N 3.03Å
539W85.2Confident89.5Confident115 Ų11539.1 Ų39.144%0.43619%0.193SC..THydrogen-bonded Turntrans-78.5-3.4-176.452.1-96.3000114.8L489 V494 P537 T541L489-W539 HydrophobicContact CD1-CH2 4.48Å; V494-W539 HydrophobicContact CB-CH2 4.18Å; V494-W539 HydrophobicContact CB-CZ2 3.98Å; V494-W539 HydrophobicContact CG1-CH2 4.01Å; V494-W539 HydrophobicContact CG1-CZ2 4.32Å; V494-W539 HydrophobicContact CG2-CH2 3.8Å; V494-W539 HydrophobicContact CG2-CZ2 3.51Å; P537-W539 VanDerWaalsContact C-N 3.29Å; P537-W539 HydrophobicContact CB-CD2 4.25Å; P537-W539 VanDerWaalsContact CB-CE2 3.45Å; P537-W539 HydrophobicContact CB-CG 4.49Å; P537-W539 HydrophobicContact CB-CZ2 3.64Å; P537-W539 VanDerWaalsContact CB-NE1 3.28Å; P537-W539 HydrophobicContact CG-CZ2 3.94Å; P537-W539 PolarHBondContact O-N 3.01Å; W539-T541 PolarHBondContact O-N 3.25Å
540I86.5Confident90Very high3 Ų345 Ų452%0.01522%0.22CC..  trans-71.9126.3-179.8-72.2158.5000110.9R295 A536 P537 S538 E544 L545 F548R295-I540 PolarHBondContact NE-O 2.89Å; R295-I540 PolarHBondContact NH2-O 2.87Å; A536-I540 HydrophobicContact CB-CD1 4.11Å; P537-I540 HydrophobicContact CB-CD1 3.84Å; P537-I540 HydrophobicContact CB-CG1 4.35Å; P537-I540 VanDerWaalsContact CD-CD1 3.47Å; P537-I540 HydrophobicContact CG-CD1 3.98Å; P537-I540 WeakPolarHBondContact O-CB 3.43Å; P537-I540 PolarHBondContact O-N 2.9Å; S538-I540 VanDerWaalsContact C-N 3.3Å; S538-I540 PolarHBondContact O-N 3.03Å; I540-E544 HydrophobicContact CG2-CB 3.66Å; I540-L545 HydrophobicContact CG2-CB 4.43Å; I540-F548 HydrophobicContact CD1-CE2 3.94Å; I540-F548 HydrophobicContact CG2-CE2 4.03Å
541T88.3Confident90.2Very high57 Ų5739.5 Ų39.535%0.3520%0.201SC..  trans-60.3156.2178.660.90000113.4R295 W539 E543 E544 L545R295-T541 VanDerWaalsContact NH2-C 3.27Å; R295-T541 PolarHBondContact NH2-O 2.94Å; W539-T541 PolarHBondContact O-N 3.25Å; T541-E543 VanDerWaalsContact C-N 3.25Å; T541-E543 PolarHBondContact O-N 3.01Å; T541-E544 PolarHBondContact O-N 3.45Å; T541-E544 WeakPolarHBondContact OG1-CB 3.41Å; T541-E544 WeakPolarHBondContact OG1-CG 3.46Å; T541-E544 PolarHBondContact OG1-N 2.7Å; T541-E544 PolarHBondContact OG1-OE2 3.4Å; T541-L545 PolarHBondContact O-N 2.97Å
542D87.3Confident90.1Very high93 Ų9338.6 Ų38.650%0.49720%0.195SC..Hα-helixtrans-62.7-32.4176.2-68.7-39.4000112.7R295 L545 N546R295-D542 IonicContact CZ-OD1 3.86Å; R295-D542 IonicContact NH1-OD1 3.26Å; R295-D542 PolarHBondContact NH1-OD1 3Å; R295-D542 IonicContact NH2-OD1 3.12Å; R295-D542 PolarHBondContact NH2-OD1 3.24Å; D542-L545 PolarHBondContact O-N 2.88Å; D542-N546 WeakPolarHBondContact O-CB 3.46Å; D542-N546 VanDerWaalsContact O-CG 3.26Å; D542-N546 PolarHBondContact O-N 2.85Å; D542-N546 PolarHBondContact O-ND2 2.62Å
543E90.3Very high89.7Confident135 Ų13540.8 Ų40.863%0.63121%0.21SC*.Hα-helixtrans-60.3-49.4172.7-60.8178.9161.400111.9K500 T541 N546 V547K500-E543 IonicContact NZ-OE2 2.71Å; K500-E543 PolarHBondContact NZ-OE2 2.83Å; T541-E543 VanDerWaalsContact C-N 3.25Å; T541-E543 PolarHBondContact O-N 3.01Å; E543-N546 WeakPolarHBondContact O-CB 3.41Å; E543-N546 PolarHBondContact O-N 3.08Å; E543-V547 PolarHBondContact O-N 3.38Å
544E91Very high89.3Confident11 Ų1145.9 Ų45.95%0.05124%0.238CC..Hα-helixtrans-68.6-37.8178.9-75.9173.295.300112.1K500 R503 I540 T541 N546 V547 F548K500-E544 HydrophobicContact CD-CG 3.8Å; K500-E544 WeakPolarHBondContact CE-OE2 3.29Å; K500-E544 HydrophobicContact CG-CG 4.16Å; K500-E544 IonicContact NZ-OE2 3.66Å; R503-E544 IonicContact CZ-OE1 3Å; R503-E544 IonicContact NE-OE1 2.74Å; R503-E544 PolarHBondContact NE-OE1 2.69Å; R503-E544 IonicContact NH2-OE1 2.63Å; R503-E544 PolarHBondContact NH2-OE1 3.46Å; R503-E544 IonicContact NH2-OE2 3.68Å; I540-E544 HydrophobicContact CG2-CB 3.66Å; T541-E544 PolarHBondContact O-N 3.45Å; T541-E544 WeakPolarHBondContact OG1-CB 3.41Å; T541-E544 WeakPolarHBondContact OG1-CG 3.46Å; T541-E544 PolarHBondContact OG1-N 2.7Å; T541-E544 PolarHBondContact OG1-OE2 3.4Å; E544-N546 VanDerWaalsContact C-N 3.27Å; E544-N546 PolarHBondContact O-N 3.25Å; E544-V547 WeakPolarHBondContact O-CB 3.5Å; E544-V547 PolarHBondContact O-N 2.87Å; E544-V547 VanDerWaalsContact O-N 3.15Å; E544-F548 HydrophobicContact CB-CZ 4.49Å; E544-F548 WeakPolarHBondContact O-CD1 3.41Å; E544-F548 VanDerWaalsContact O-CG 3.28Å; E544-F548 WeakPolarHBondContact O-CG 3.28Å; E544-F548 PolarHBondContact O-N 2.82Å
545L89.9Confident88.8Confident1 Ų146.8 Ų46.81%0.00524%0.244CC..Hα-helixtrans-61.3-39.6173.1-163.473.3000110.6L273 L293 A536 I540 T541 D542 F548 R549L273-L545 HydrophobicContact CD2-CD2 3.62Å; L273-L545 HydrophobicContact CG-CD2 4.13Å; L293-L545 HydrophobicContact CD1-CD1 4.29Å; L293-L545 HydrophobicContact CD2-CD1 3.74Å; L293-L545 HydrophobicContact CD2-CG 4.09Å; L293-L545 HydrophobicContact CG-CD1 4.05Å; A536-L545 HydrophobicContact CB-CD1 4Å; I540-L545 HydrophobicContact CG2-CB 4.43Å; T541-L545 PolarHBondContact O-N 2.97Å; D542-L545 PolarHBondContact O-N 2.88Å; L545-F548 PolarHBondContact O-N 2.83Å; L545-F548 VanDerWaalsContact O-N 3.15Å; L545-R549 WeakPolarHBondContact O-CG 3.41Å; L545-R549 PolarHBondContact O-N 2.86Å
546N90.5Very high88.1Confident73 Ų7347.2 Ų47.239%0.3925%0.246SC..Hα-helixtrans-62.6-38.8172.5-75.4-37.3000113.6D542 E543 E544 R549 Q550D542-N546 WeakPolarHBondContact O-CB 3.46Å; D542-N546 VanDerWaalsContact O-CG 3.26Å; D542-N546 PolarHBondContact O-N 2.85Å; D542-N546 PolarHBondContact O-ND2 2.62Å; E543-N546 WeakPolarHBondContact O-CB 3.41Å; E543-N546 PolarHBondContact O-N 3.08Å; E544-N546 VanDerWaalsContact C-N 3.27Å; E544-N546 PolarHBondContact O-N 3.25Å; N546-R549 PolarHBondContact O-N 3.28Å; N546-R549 WeakPolarHBondContact OD1-CD 3.33Å; N546-R549 PolarHBondContact OD1-NH1 3.31Å; N546-Q550 WeakPolarHBondContact O-CG 3.28Å; N546-Q550 PolarHBondContact O-N 3.48Å; N546-Q550 VanDerWaalsContact O-N 3.13Å
547V92.6Very high87Confident61 Ų6152.6 Ų52.637%0.3727%0.274SS..Hα-helixtrans-61.5-43.6169.9173.50000110.8A504 E543 E544 R549 Q550 I551A504-V547 HydrophobicContact CB-CG1 4.16Å; E543-V547 PolarHBondContact O-N 3.38Å; E544-V547 WeakPolarHBondContact O-CB 3.5Å; E544-V547 PolarHBondContact O-N 2.87Å; E544-V547 VanDerWaalsContact O-N 3.15Å; V547-R549 PolarHBondContact O-N 2.96Å; V547-Q550 PolarHBondContact O-N 2.63Å; V547-I551 HydrophobicContact CG1-CD1 3.75Å; V547-I551 HydrophobicContact CG1-CG1 4.39Å; V547-I551 VanDerWaalsContact O-CG1 3.3Å; V547-I551 WeakPolarHBondContact O-CG1 3.4Å; V547-I551 PolarHBondContact O-N 3.1Å
548F92.9Very high85.6Confident1 Ų154.9 Ų54.90%0.00428%0.284CS..Hα-helixtrans-66.9-37.3179.9-59.3-12.9000112.7L488 R503 A504 V507 I540 E544 L545 Q550 I551 I552L488-F548 HydrophobicContact CD2-CB 4.27Å; L488-F548 HydrophobicContact CD2-CD2 3.58Å; L488-F548 HydrophobicContact CD2-CE2 4.22Å; L488-F548 HydrophobicContact CD2-CG 4.15Å; R503-F548 HydrophobicContact CB-CE1 4.45Å; R503-F548 HydrophobicContact CB-CZ 4.02Å; A504-F548 HydrophobicContact CB-CE1 4.42Å; V507-F548 HydrophobicContact CB-CD1 4.33Å; V507-F548 HydrophobicContact CG2-CD1 3.76Å; V507-F548 HydrophobicContact CG2-CD2 4.14Å; V507-F548 HydrophobicContact CG2-CE1 3.81Å; V507-F548 HydrophobicContact CG2-CE2 4.16Å; V507-F548 HydrophobicContact CG2-CG 3.96Å; V507-F548 HydrophobicContact CG2-CZ 4.02Å; I540-F548 HydrophobicContact CD1-CE2 3.94Å; I540-F548 HydrophobicContact CG2-CE2 4.03Å; E544-F548 HydrophobicContact CB-CZ 4.49Å; E544-F548 WeakPolarHBondContact O-CD1 3.41Å; E544-F548 VanDerWaalsContact O-CG 3.28Å; E544-F548 WeakPolarHBondContact O-CG 3.28Å; E544-F548 PolarHBondContact O-N 2.82Å; L545-F548 PolarHBondContact O-N 2.83Å; L545-F548 VanDerWaalsContact O-N 3.15Å; F548-Q550 VanDerWaalsContact C-N 3.34Å; F548-Q550 PolarHBondContact O-N 2.66Å; F548-I551 HydrophobicContact CD1-CD1 4.4Å; F548-I551 PolarHBondContact O-N 3.33Å; F548-I552 WeakPolarHBondContact O-CG1 3.03Å; F548-I552 PolarHBondContact O-N 3.47Å
549R89Confident84Confident35 Ų3558 Ų5813%0.13230%0.303CS..Hα-helixtrans-59.4-43172.2-65.9161.3-173.4-158.1-17.8111.8E275 F277 L293 L545 N546 V547 I552 S553E275-R549 VanDerWaalsContact CD-NH2 3.33Å; E275-R549 IonicContact OE1-CZ 2.74Å; E275-R549 IonicContact OE1-NE 3.18Å; E275-R549 IonicContact OE1-NH1 3.77Å; E275-R549 PolarHBondContact OE1-NH1 2.79Å; E275-R549 IonicContact OE1-NH2 3.65Å; E275-R549 PolarHBondContact OE1-NH2 2.86Å; E275-R549 VanDerWaalsContact OE1-NH2 3.07Å; E275-R549 WeakPolarHBondContact OE2-CD 3.24Å; E275-R549 VanDerWaalsContact OE2-CG 3.31Å; E275-R549 WeakPolarHBondContact OE2-CG 3.3Å; E275-R549 IonicContact OE2-CZ 2.8Å; E275-R549 IonicContact OE2-NE 2.73Å; E275-R549 PolarHBondContact OE2-NE 3.04Å; E275-R549 VanDerWaalsContact OE2-NE 3.17Å; E275-R549 IonicContact OE2-NH1 2.66Å; E275-R549 IonicContact OE2-NH2 3.63Å; F277-R549 HydrophobicContact CZ-CB 4.01Å; F277-R549 HydrophobicContact CZ-CG 4.05Å; L293-R549 HydrophobicContact CD2-CG 3.59Å; L545-R549 WeakPolarHBondContact O-CG 3.41Å; L545-R549 PolarHBondContact O-N 2.86Å; N546-R549 PolarHBondContact O-N 3.28Å; N546-R549 WeakPolarHBondContact OD1-CD 3.33Å; N546-R549 PolarHBondContact OD1-NH1 3.31Å; V547-R549 PolarHBondContact O-N 2.96Å; R549-I552 PolarHBondContact O-N 3.5Å; R549-S553 WeakPolarHBondContact O-CB 3.25Å; R549-S553 PolarHBondContact O-N 3.33Å; R549-S553 PolarHBondContact O-OG 3.47Å
550Q90.5Very high81.9Confident123 Ų12359.5 Ų59.558%0.57532%0.319SS*.Hα-helixtrans-65.3-41.7174.3-70.4177.8-1.100111.7N546 V547 F548 S553 N554N546-Q550 WeakPolarHBondContact O-CG 3.28Å; N546-Q550 PolarHBondContact O-N 3.48Å; N546-Q550 VanDerWaalsContact O-N 3.13Å; V547-Q550 PolarHBondContact O-N 2.63Å; F548-Q550 VanDerWaalsContact C-N 3.34Å; F548-Q550 PolarHBondContact O-N 2.66Å; Q550-S553 PolarHBondContact O-N 3.25Å; Q550-N554 VanDerWaalsContact O-CB 3.32Å; Q550-N554 WeakPolarHBondContact O-CB 3.38Å; Q550-N554 PolarHBondContact O-N 3.19Å; Q550-N554 PolarHBondContact O-ND2 2.93Å
551I91.9Very high80Confident27 Ų2764.5 Ų64.514%0.13835%0.352CS..Hα-helixtrans-65.5-40.6177.4-64.7166.3000111.4A504 V507 E508 L511 V547 F548 N554 S555A504-I551 HydrophobicContact CB-CD1 3.86Å; V507-I551 HydrophobicContact CG1-CB 4.34Å; V507-I551 HydrophobicContact CG1-CG2 3.93Å; E508-I551 HydrophobicContact CB-CG2 4.08Å; E508-I551 HydrophobicContact CG-CG2 4.21Å; L511-I551 HydrophobicContact CD1-CG2 4.14Å; V547-I551 HydrophobicContact CG1-CD1 3.75Å; V547-I551 HydrophobicContact CG1-CG1 4.39Å; V547-I551 VanDerWaalsContact O-CG1 3.3Å; V547-I551 WeakPolarHBondContact O-CG1 3.4Å; V547-I551 PolarHBondContact O-N 3.1Å; F548-I551 HydrophobicContact CD1-CD1 4.4Å; F548-I551 PolarHBondContact O-N 3.33Å; I551-N554 PolarHBondContact O-N 2.94Å; I551-S555 WeakPolarHBondContact O-CB 3.39Å; I551-S555 PolarHBondContact O-N 2.69Å; I551-S555 PolarHBondContact O-OG 3.49Å
552I88.9Confident77.8Confident1 Ų169.6 Ų69.61%0.00538%0.376CS..Hα-helixtrans-59.3-51.8173.1-69.4166.7000109.8F277 L293 L511 F548 R549 N554 S555 F556F277-I552 HydrophobicContact CD1-CG2 4.39Å; F277-I552 HydrophobicContact CD2-CG2 4.05Å; F277-I552 HydrophobicContact CE2-CD1 4.47Å; F277-I552 HydrophobicContact CE2-CG2 4.4Å; F277-I552 HydrophobicContact CG-CG2 4.06Å; L293-I552 HydrophobicContact CB-CD1 4.07Å; L293-I552 HydrophobicContact CD1-CD1 4.2Å; L293-I552 HydrophobicContact CD2-CD1 4.06Å; L293-I552 HydrophobicContact CG-CD1 4.34Å; L511-I552 HydrophobicContact CD1-CB 4.27Å; L511-I552 HydrophobicContact CD1-CG1 3.53Å; L511-I552 HydrophobicContact CD2-CG1 4.43Å; F548-I552 WeakPolarHBondContact O-CG1 3.03Å; F548-I552 PolarHBondContact O-N 3.47Å; R549-I552 PolarHBondContact O-N 3.5Å; I552-N554 PolarHBondContact O-N 2.9Å; I552-S555 PolarHBondContact O-N 3.48Å; I552-F556 HydrophobicContact CG2-CD2 4.39Å; I552-F556 WeakPolarHBondContact O-CD2 3.37Å; I552-F556 PolarHBondContact O-N 2.9Å
553S85.6Confident75.7Confident46 Ų4672 Ų7232%0.32239%0.388SS..Hα-helixtrans-55.2-52.9178.5-56.30000111.2R549 Q550 S555 F556 L557R549-S553 WeakPolarHBondContact O-CB 3.25Å; R549-S553 PolarHBondContact O-N 3.33Å; R549-S553 PolarHBondContact O-OG 3.47Å; Q550-S553 PolarHBondContact O-N 3.25Å; S553-S555 PolarHBondContact O-N 3.13Å; S553-F556 PolarHBondContact O-N 2.85Å; S553-L557 WeakPolarHBondContact O-CB 3.47Å; S553-L557 WeakPolarHBondContact O-CD1 3.45Å; S553-L557 WeakPolarHBondContact O-CG 3.26Å; S553-L557 PolarHBondContact O-N 3.28Å
554N86.8Confident73.5Confident114 Ų11472 Ų7261%0.6140%0.396SS*.Hα-helixtrans-66.9-34.2-178.2-66.8-17.3000113.5Q550 I551 I552 F556Q550-N554 VanDerWaalsContact O-CB 3.32Å; Q550-N554 WeakPolarHBondContact O-CB 3.38Å; Q550-N554 PolarHBondContact O-N 3.19Å; Q550-N554 PolarHBondContact O-ND2 2.93Å; I551-N554 PolarHBondContact O-N 2.94Å; I552-N554 PolarHBondContact O-N 2.9Å; N554-F556 VanDerWaalsContact C-N 3.28Å; N554-F556 PolarHBondContact O-N 3.17Å
555S83.7Confident71.4Confident18 Ų1880.6 Ų80.613%0.12645%0.449CS..Hα-helixtrans-69.3-27.7179.6-63.70000112.4K515 I551 I552 S553K515-S555 WeakPolarHBondContact CD-O 3.33Å; K515-S555 WeakPolarHBondContact CE-O 3.48Å; K515-S555 PolarHBondContact NZ-O 2.86Å; I551-S555 WeakPolarHBondContact O-CB 3.39Å; I551-S555 PolarHBondContact O-N 2.69Å; I551-S555 PolarHBondContact O-OG 3.49Å; I552-S555 PolarHBondContact O-N 3.48Å; S553-S555 PolarHBondContact O-N 3.13Å
556F78.1Confident70.5Confident9 Ų984.6 Ų84.64%0.03947%0.471CS..Hα-helixtrans-114.3-13.5-172.4-71.2-72.6000115.2V279 L281 F291 L511 K515 I552 S553 N554 Q558V279-F556 HydrophobicContact CB-CB 4.33Å; V279-F556 HydrophobicContact CG1-CB 3.69Å; V279-F556 HydrophobicContact CG1-CD1 3.73Å; V279-F556 HydrophobicContact CG1-CG 3.93Å; V279-F556 HydrophobicContact CG2-CB 3.65Å; V279-F556 HydrophobicContact CG2-CG 4.11Å; L281-F556 HydrophobicContact CD2-CD1 3.99Å; L281-F556 HydrophobicContact CD2-CE1 4.34Å; F291-F556 HydrophobicContact CD2-CD2 4.03Å; F291-F556 HydrophobicContact CD2-CE2 4.08Å; F291-F556 HydrophobicContact CD2-CG 4.35Å; F291-F556 HydrophobicContact CD2-CZ 4.42Å; F291-F556 AromaticContact CE2-CD1 3.69Å; F291-F556 HydrophobicContact CE2-CD1 3.69Å; F291-F556 AromaticContact CE2-CD2 3.71Å; F291-F556 HydrophobicContact CE2-CD2 3.71Å; F291-F556 AromaticContact CE2-CE1 3.54Å; F291-F556 HydrophobicContact CE2-CE1 3.54Å; F291-F556 AromaticContact CE2-CE2 3.58Å; F291-F556 HydrophobicContact CE2-CE2 3.58Å; F291-F556 AromaticContact CE2-CG 3.78Å; F291-F556 HydrophobicContact CE2-CG 3.78Å; F291-F556 AromaticContact CE2-CZ 3.5Å; F291-F556 HydrophobicContact CE2-CZ 3.5Å; F291-F556 HydrophobicContact CZ-CD1 4.39Å; F291-F556 HydrophobicContact CZ-CE1 4.03Å; F291-F556 HydrophobicContact CZ-CZ 4.19Å; L511-F556 HydrophobicContact CB-CE2 3.92Å; L511-F556 HydrophobicContact CB-CZ 4.27Å; L511-F556 HydrophobicContact CD1-CE2 4.31Å; L511-F556 HydrophobicContact CD2-CE2 4.06Å; L511-F556 HydrophobicContact CG-CE2 4.3Å; K515-F556 HydrophobicContact CB-CD1 4.46Å; K515-F556 HydrophobicContact CB-CE1 3.51Å; K515-F556 HydrophobicContact CB-CZ 3.91Å; K515-F556 HydrophobicContact CD-CD1 4.01Å; K515-F556 HydrophobicContact CD-CE1 3.87Å; K515-F556 HydrophobicContact CG-CD1 4.17Å; K515-F556 HydrophobicContact CG-CE1 3.66Å; K515-F556 HydrophobicContact CG-CZ 4.5Å; I552-F556 HydrophobicContact CG2-CD2 4.39Å; I552-F556 WeakPolarHBondContact O-CD2 3.37Å; I552-F556 PolarHBondContact O-N 2.9Å; S553-F556 PolarHBondContact O-N 2.85Å; N554-F556 VanDerWaalsContact C-N 3.28Å; N554-F556 PolarHBondContact O-N 3.17Å; F556-Q558 PolarHBondContact O-N 3.38Å
557L66.8Low69.4Low114 Ų11485.2 Ų85.260%0.59748%0.476SS*.SBendtrans-52.2131.4163-82.7164.4000110.1S553S553-L557 WeakPolarHBondContact O-CB 3.47Å; S553-L557 WeakPolarHBondContact O-CD1 3.45Å; S553-L557 WeakPolarHBondContact O-CG 3.26Å; S553-L557 PolarHBondContact O-N 3.28Å
558Q57.5Low68.1Low64 Ų6486.6 Ų86.630%0.29948%0.482SS..PPolyproline II helixtrans-73.6139167-63.5-170.2-6.700107.9Q280 F556 N560Q280-Q558 PolarHBondContact O-NE2 3.44Å; Q280-Q558 VanDerWaalsContact O-NE2 3.07Å; F556-Q558 PolarHBondContact O-N 3.38Å; Q558-N560 PolarHBondContact O-N 3.39Å; Q558-N560 VanDerWaalsContact O-N 3.12Å
559P50.3Low66.7Low118 Ų11891.6 Ų91.677%0.76651%0.51SS*.PPolyproline II helixtrans-59.2121.5164.426.3-31.7000107.2
560N41.6Very low65.3Low145 Ų14595.1 Ų95.178%0.77553%0.533SS*.PPolyproline II helixtrans-51.4131.5168.9-79.7-21000107.5Q558 L562Q558-N560 PolarHBondContact O-N 3.39Å; Q558-N560 VanDerWaalsContact O-N 3.12Å; N560-L562 PolarHBondContact O-N 3.26Å; N560-L562 VanDerWaalsContact O-N 3.07Å
561P46.4Very low63.6Low109 Ų10993.3 Ų93.371%0.70853%0.531SS*.PPolyproline II helixtrans-57.3122.8174.224.7-32.4000107.5I563P561-I563 VanDerWaalsContact C-N 3.32Å; P561-I563 PolarHBondContact O-N 2.61Å
562L43.1Very low61.6Low163 Ų16398 Ų9885%0.85356%0.559SS**  trans-64.199.1172.1-74.7169.4000107.1N560 V564N560-L562 PolarHBondContact O-N 3.26Å; N560-L562 VanDerWaalsContact O-N 3.07Å; L562-V564 PolarHBondContact O-N 2.79Å
563I42.3Very low59.5Low145 Ų145105.5 Ų105.574%0.74460%0.601SS**  trans-70.191.9165.9-55.2175.9000105.4P561 V565P561-I563 VanDerWaalsContact C-N 3.32Å; P561-I563 PolarHBondContact O-N 2.61Å; I563-V565 HydrophobicContact CG2-CG2 4.15Å; I563-V565 PolarHBondContact O-N 3.11Å
564V44.6Very low57.3Low133 Ų133110.4 Ų110.481%0.80662%0.624SS**  trans-72.1113.1164.1-175.60000106L562L562-V564 PolarHBondContact O-N 2.79Å
565V46.6Very low54.6Low193 Ų193110.1 Ų110.1100%1.1763%0.626SS**  trans-84.60170.8-179.70000108.8I563I563-V565 HydrophobicContact CG2-CG2 4.15Å; I563-V565 PolarHBondContact O-N 3.11Å

Retrieved 565 of 565 residues in 713.7 ms (Link to these results)

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