A0A077Z9T0_TRITR Loading...

Deoxyribonuclease (DNase) II

AlphaFold DB , UniProt , Accession A0A077Z9T0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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
1M94.8Very high93Very high32 Ų3268.8 Ų68.816%0.15838%0.384CS..  0150.30-63.1-69.6-73.700107.9L12 R17 L19 P244 F248 F250M1-L12 HydrophobicContact CB-CD2 4Å; M1-L12 HydrophobicContact CE-CD2 4.46Å; M1-L12 HydrophobicContact CG-CD2 4.38Å; M1-R17 HydrophobicContact CB-CB 4.3Å; M1-R17 HydrophobicContact CB-CG 4.34Å; M1-R17 VanDerWaalsContact CB-O 3.27Å; M1-R17 WeakPolarHBondContact CB-O 3.42Å; M1-R17 HydrophobicContact CG-CB 4.35Å; M1-R17 HydrophobicContact CG-CG 3.89Å; M1-R17 WeakPolarHBondContact CG-O 3.42Å; M1-R17 PolarHBondContact N-O 3.41Å; M1-L19 HydrophobicContact SD-CD1 4.02Å; M1-L19 HydrophobicContact SD-CG 4.22Å; M1-P244 HydrophobicContact CE-CG 3.78Å; M1-P244 HydrophobicContact SD-CG 3.7Å; M1-F248 HydrophobicContact CE-CB 3.78Å; M1-F248 HydrophobicContact CE-CG 4.46Å; M1-F250 HydrophobicContact CE-CD1 4.09Å; M1-F250 HydrophobicContact CE-CE1 3.52Å; M1-F250 HydrophobicContact SD-CE1 3.99Å
2P96.4Very high93.2Very high2 Ų263.1 Ų63.11%0.01335%0.352CS..  trans-63158.517126.3-33.2000111.9M4 F250 D254P2-M4 PolarHBondContact O-N 2.69Å; P2-F250 HydrophobicContact CG-CB 3.98Å; P2-F250 HydrophobicContact CG-CD1 3.7Å; P2-F250 HydrophobicContact CG-CD2 3.71Å; P2-F250 HydrophobicContact CG-CE1 4.11Å; P2-F250 HydrophobicContact CG-CE2 4.08Å; P2-F250 HydrophobicContact CG-CG 3.5Å; P2-F250 VanDerWaalsContact CG-CG 3.5Å; P2-F250 HydrophobicContact CG-CZ 4.28Å; P2-D254 HydrophobicContact CB-CB 4.08Å; P2-D254 WeakPolarHBondContact CB-O 3.19Å; P2-D254 HydrophobicContact CG-CB 4.39Å
3R96.5Very high93.3Very high93 Ų9365 Ų6535%0.35135%0.354SS..  trans-69.1125.8169.2-173.4169.961.3-173.9-0.8109.7L12 K13 K113 V114R3-L12 WeakPolarHBondContact CA-O 3.46Å; R3-K13 WeakPolarHBondContact CD-O 3.47Å; R3-K13 WeakPolarHBondContact CG-O 3.4Å; R3-K113 WeakPolarHBondContact CB-O 3.42Å; R3-V114 PolarHBondContact N-O 2.66Å
4M94.4Very high93.5Very high37 Ų3770.7 Ų70.718%0.18237%0.369CS..  trans-119.1103.3-178.5-58.6-17982.300109.9P2 R7 L12 K13 S249P2-M4 PolarHBondContact O-N 2.69Å; M4-R7 HydrophobicContact CB-CG 3.7Å; M4-R7 WeakPolarHBondContact O-CG 3.29Å; M4-L12 HydrophobicContact CB-CB 4.45Å; M4-L12 HydrophobicContact CG-CD2 4.47Å; M4-L12 PolarHBondContact N-O 3.38Å; M4-L12 HydrophobicContact SD-CD2 3.97Å; M4-K13 WeakPolarHBondContact O-CA 3.41Å; M4-S249 WeakPolarHBondContact CE-O 3.36Å
5F90.3Very high93.7Very high153 Ų15366.3 Ų66.367%0.67135%0.348SS*.THydrogen-bonded Turntrans-64.1154.3177.6-64.3-71000112R7F5-R7 PolarHBondContact O-N 2.6Å
6G88.3Confident94Very high81 Ų8162.8 Ų62.884%0.83533%0.33SS*.THydrogen-bonded Turntrans75.10.9177.800000115.7
7R88.1Confident94.1Very high96 Ų9660.6 Ų60.636%0.36232%0.316SS..  trans-80.2141.4174.5-56.3-63.2-79.3-178.1-8.7110.9M4 F5 D9 L12 N247M4-R7 HydrophobicContact CB-CG 3.7Å; M4-R7 WeakPolarHBondContact O-CG 3.29Å; F5-R7 PolarHBondContact O-N 2.6Å; R7-D9 VanDerWaalsContact C-N 3.27Å; R7-L12 HydrophobicContact CB-CB 4.3Å; R7-L12 HydrophobicContact CG-CB 4.37Å; R7-N247 PolarHBondContact NH2-O 3.03Å
8T91.2Very high94.3Very high156 Ų15658.6 Ų58.696%0.95730%0.304SS*.SBendtrans-69.9-27.6170.650.90000112G10T8-G10 PolarHBondContact O-N 3.29Å; T8-G10 VanDerWaalsContact O-N 3.12Å
9D92.4Very high94.4Very high30 Ų3057.1 Ų57.116%0.1630%0.296CS..  trans-67.1104.2171.4179.8-9.2000110.9R7 K11 L12 K13 R17R7-D9 VanDerWaalsContact C-N 3.27Å; D9-K11 PolarHBondContact O-N 2.83Å; D9-K11 WeakPolarHBondContact OD1-CB 3.4Å; D9-K11 PolarHBondContact OD1-N 3.12Å; D9-L12 HydrophobicContact CB-CB 4.19Å; D9-L12 HydrophobicContact CB-CD1 4.04Å; D9-L12 HydrophobicContact CB-CG 4.38Å; D9-L12 PolarHBondContact O-N 2.87Å; D9-L12 VanDerWaalsContact O-N 3.13Å; D9-L12 PolarHBondContact OD1-N 3.3Å; D9-L12 VanDerWaalsContact OD2-CD1 3.26Å; D9-L12 WeakPolarHBondContact OD2-CD1 3.24Å; D9-L12 WeakPolarHBondContact OD2-CG 3.09Å; D9-K13 PolarHBondContact O-N 3.16Å; D9-R17 IonicContact OD1-CZ 3.59Å; D9-R17 IonicContact OD1-NE 2.73Å; D9-R17 IonicContact OD1-NH2 3.49Å; D9-R17 PolarHBondContact OD1-NH2 3.19Å; D9-R17 IonicContact OD2-CZ 3.63Å; D9-R17 IonicContact OD2-NE 3.84Å; D9-R17 PolarHBondContact OD2-NE 2.95Å; D9-R17 IonicContact OD2-NH2 2.78Å; D9-R17 PolarHBondContact OD2-NH2 3.29Å
10G94.8Very high94.6Very high33 Ų3359.1 Ų59.134%0.3430%0.301SS..Hα-helixtrans-53.7-39.2179.100000113.3T8 L12 K13 Y14T8-G10 PolarHBondContact O-N 3.29Å; T8-G10 VanDerWaalsContact O-N 3.12Å; G10-L12 VanDerWaalsContact C-N 3.32Å; G10-L12 PolarHBondContact O-N 3.47Å; G10-K13 WeakPolarHBondContact O-CB 3.28Å; G10-K13 PolarHBondContact O-N 2.98Å; G10-Y14 WeakPolarHBondContact O-CD2 3.48Å; G10-Y14 PolarHBondContact O-N 3.08Å
11K95.8Very high94.7Very high44 Ų4458 Ų5819%0.19130%0.295CS..Hα-helixtrans-67.8-34.5-177.9-53.7-161.9170.6-1450112D9 G15 T16 R17 F32 H33 D34D9-K11 PolarHBondContact O-N 2.83Å; D9-K11 WeakPolarHBondContact OD1-CB 3.4Å; D9-K11 PolarHBondContact OD1-N 3.12Å; K11-G15 CarbonylContact O-C 3.49Å; K11-G15 PolarHBondContact O-N 2.94Å; K11-T16 WeakPolarHBondContact CA-OG1 3.32Å; K11-T16 PolarHBondContact O-N 3.17Å; K11-T16 PolarHBondContact O-OG1 3.22Å; K11-R17 HydrophobicContact CB-CB 3.82Å; K11-R17 PolarHBondContact O-N 3.05Å; K11-F32 PolarHBondContact NZ-O 3.47Å; K11-H33 VanDerWaalsContact NZ-C 3.3Å; K11-D34 WeakPolarHBondContact CD-OD1 3.31Å; K11-D34 VanDerWaalsContact CE-OD1 3.31Å; K11-D34 WeakPolarHBondContact CE-OD1 3.26Å; K11-D34 VanDerWaalsContact CE-OD2 3.26Å; K11-D34 WeakPolarHBondContact CE-OD2 3.43Å; K11-D34 WeakPolarHBondContact CG-OD1 3.46Å; K11-D34 IonicContact NZ-OD1 3.62Å; K11-D34 PolarHBondContact NZ-OD1 2.73Å; K11-D34 IonicContact NZ-OD2 2.58Å; K11-D34 PolarHBondContact NZ-OD2 2.87Å
12L95Very high94.8Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-74.1-41.8172.3-76.5170.8000111.7M1 R3 M4 R7 D9 G10 Y14 G15 R17 F248M1-L12 HydrophobicContact CB-CD2 4Å; M1-L12 HydrophobicContact CE-CD2 4.46Å; M1-L12 HydrophobicContact CG-CD2 4.38Å; R3-L12 WeakPolarHBondContact CA-O 3.46Å; M4-L12 HydrophobicContact CB-CB 4.45Å; M4-L12 HydrophobicContact CG-CD2 4.47Å; M4-L12 PolarHBondContact N-O 3.38Å; M4-L12 HydrophobicContact SD-CD2 3.97Å; R7-L12 HydrophobicContact CB-CB 4.3Å; R7-L12 HydrophobicContact CG-CB 4.37Å; D9-L12 HydrophobicContact CB-CB 4.19Å; D9-L12 HydrophobicContact CB-CD1 4.04Å; D9-L12 HydrophobicContact CB-CG 4.38Å; D9-L12 PolarHBondContact O-N 2.87Å; D9-L12 VanDerWaalsContact O-N 3.13Å; D9-L12 PolarHBondContact OD1-N 3.3Å; D9-L12 VanDerWaalsContact OD2-CD1 3.26Å; D9-L12 WeakPolarHBondContact OD2-CD1 3.24Å; D9-L12 WeakPolarHBondContact OD2-CG 3.09Å; G10-L12 VanDerWaalsContact C-N 3.32Å; G10-L12 PolarHBondContact O-N 3.47Å; L12-Y14 PolarHBondContact O-N 3.31Å; L12-G15 PolarHBondContact O-N 3.09Å; L12-R17 HydrophobicContact CD2-CB 3.7Å; L12-R17 HydrophobicContact CD2-CG 3.69Å; L12-R17 HydrophobicContact CG-CB 3.9Å; L12-R17 HydrophobicContact CG-CG 3.91Å; L12-F248 HydrophobicContact CD1-CD1 3.23Å; L12-F248 HydrophobicContact CD1-CD2 4.39Å; L12-F248 HydrophobicContact CD1-CE1 3Å; L12-F248 HydrophobicContact CD1-CE2 4.2Å; L12-F248 HydrophobicContact CD1-CG 3.96Å; L12-F248 HydrophobicContact CD1-CZ 3.54Å; L12-F248 HydrophobicContact CG-CE1 4.46Å
13K95.5Very high94.6Very high88 Ų8866.1 Ų66.138%0.38333%0.331SS..Hα-helixtrans-57.8-37177.4-177.5-174.6175.3-170.80112.3R3 M4 D9 G10R3-K13 WeakPolarHBondContact CD-O 3.47Å; R3-K13 WeakPolarHBondContact CG-O 3.4Å; M4-K13 WeakPolarHBondContact O-CA 3.41Å; D9-K13 PolarHBondContact O-N 3.16Å; G10-K13 WeakPolarHBondContact O-CB 3.28Å; G10-K13 PolarHBondContact O-N 2.98Å
14Y95.9Very high94.5Very high145 Ų14570.9 Ų70.957%0.56936%0.355SS*.THydrogen-bonded Turntrans-98.7-1.9-180-62.5-64.5000114G10 L12 T16G10-Y14 WeakPolarHBondContact O-CD2 3.48Å; G10-Y14 PolarHBondContact O-N 3.08Å; L12-Y14 PolarHBondContact O-N 3.31Å; Y14-T16 VanDerWaalsContact C-N 3.3Å; Y14-T16 PolarHBondContact O-N 2.94Å
15G96.7Very high94.6Very high5 Ų570.2 Ų70.25%0.05235%0.353CS..THydrogen-bonded Turntrans73.120.4176.800000114.5K11 L12 K113K11-G15 CarbonylContact O-C 3.49Å; K11-G15 PolarHBondContact O-N 2.94Å; L12-G15 PolarHBondContact O-N 3.09Å; G15-K113 VanDerWaalsContact CA-O 3.3Å; G15-K113 WeakPolarHBondContact CA-O 3.46Å
16T97.5Very high94.9Very high10 Ų1063.6 Ų63.66%0.06133%0.325CS..  trans-96.4-8.6178.957.90000113.1K11 Y14 Y18 D34 I35 D36 K113K11-T16 WeakPolarHBondContact CA-OG1 3.32Å; K11-T16 PolarHBondContact O-N 3.17Å; K11-T16 PolarHBondContact O-OG1 3.22Å; Y14-T16 VanDerWaalsContact C-N 3.3Å; Y14-T16 PolarHBondContact O-N 2.94Å; T16-Y18 PolarHBondContact O-N 3.41Å; T16-D34 WeakPolarHBondContact CB-OD1 2.95Å; T16-D34 HydrophobicContact CG2-CB 4.45Å; T16-D34 PolarHBondContact OG1-OD1 2.81Å; T16-I35 HydrophobicContact CG2-CG2 4.48Å; T16-I35 PolarHBondContact O-N 3.38Å; T16-D36 WeakPolarHBondContact CG2-OD1 3.45Å; T16-K113 HydrophobicContact CG2-CD 3.96Å
17R96.8Very high95.2Very high25 Ų2565.7 Ų65.79%0.09431%0.309CS..  trans-64.4128.3175.3-179.370.470.7-165.36.3110.8M1 D9 K11 L12 Q30M1-R17 HydrophobicContact CB-CB 4.3Å; M1-R17 HydrophobicContact CB-CG 4.34Å; M1-R17 VanDerWaalsContact CB-O 3.27Å; M1-R17 WeakPolarHBondContact CB-O 3.42Å; M1-R17 HydrophobicContact CG-CB 4.35Å; M1-R17 HydrophobicContact CG-CG 3.89Å; M1-R17 WeakPolarHBondContact CG-O 3.42Å; M1-R17 PolarHBondContact N-O 3.41Å; D9-R17 IonicContact OD1-CZ 3.59Å; D9-R17 IonicContact OD1-NE 2.73Å; D9-R17 IonicContact OD1-NH2 3.49Å; D9-R17 PolarHBondContact OD1-NH2 3.19Å; D9-R17 IonicContact OD2-CZ 3.63Å; D9-R17 IonicContact OD2-NE 3.84Å; D9-R17 PolarHBondContact OD2-NE 2.95Å; D9-R17 IonicContact OD2-NH2 2.78Å; D9-R17 PolarHBondContact OD2-NH2 3.29Å; K11-R17 HydrophobicContact CB-CB 3.82Å; K11-R17 PolarHBondContact O-N 3.05Å; L12-R17 HydrophobicContact CD2-CB 3.7Å; L12-R17 HydrophobicContact CD2-CG 3.69Å; L12-R17 HydrophobicContact CG-CB 3.9Å; L12-R17 HydrophobicContact CG-CG 3.91Å; R17-Q30 VanDerWaalsContact CZ-CD 3.42Å
18Y97.2Very high95.5Very high24 Ų2464.1 Ų64.19%0.09430%0.303CS..  trans-134.4156.9168.871.3-80.3000112.5T16 S31 H33 D34 I35 A41T16-Y18 PolarHBondContact O-N 3.41Å; Y18-S31 VanDerWaalsContact CE1-CB 3.5Å; Y18-S31 PolarHBondContact O-N 3Å; Y18-S31 PolarHBondContact OH-OG 2.84Å; Y18-H33 HydrophobicContact CE1-CB 4.42Å; Y18-H33 WeakPolarHBondContact CE1-O 3.27Å; Y18-D34 WeakPolarHBondContact CE1-O 3.19Å; Y18-I35 HydrophobicContact CD1-CB 3.93Å; Y18-I35 HydrophobicContact CD1-CD1 3.92Å; Y18-I35 HydrophobicContact CD2-CD1 4.35Å; Y18-I35 HydrophobicContact CE1-CB 4.48Å; Y18-I35 HydrophobicContact CE1-CD1 4.35Å; Y18-I35 HydrophobicContact CG-CD1 3.9Å; Y18-A41 PolarHBondContact OH-N 3.48Å
19L96.9Very high95.7Very high30 Ų3062.2 Ų62.216%0.15728%0.278CS..EExtended strand (participates in β ladder)trans-105.1142.9170.6-55.9175.5000107.5M1 W28 R29 Q30 P244M1-L19 HydrophobicContact SD-CD1 4.02Å; M1-L19 HydrophobicContact SD-CG 4.22Å; L19-W28 HydrophobicContact CB-CB 4.33Å; L19-W28 HydrophobicContact CB-CD2 4.01Å; L19-W28 HydrophobicContact CB-CE3 3.54Å; L19-W28 HydrophobicContact CB-CG 4.35Å; L19-W28 HydrophobicContact CB-CZ3 4.21Å; L19-W28 HydrophobicContact CD1-CB 4.08Å; L19-W28 HydrophobicContact CD1-CD2 4.13Å; L19-W28 HydrophobicContact CD1-CG 3.93Å; L19-R29 CarbonylContact C-O 3.46Å; L19-R29 VanDerWaalsContact CA-O 3.28Å; L19-R29 WeakPolarHBondContact CA-O 3.01Å; L19-Q30 HydrophobicContact CD2-CB 4.16Å; L19-P244 HydrophobicContact CD1-CB 3.61Å; L19-P244 HydrophobicContact CD1-CG 3.92Å
20Y97.1Very high95.8Very high98 Ų9865 Ų6538%0.38429%0.29SS..EExtended strand (participates in β ladder)trans-127.3146.6-177.5179.7-98.5000109.8D22 R29 A41Y20-D22 HydrophobicContact CE1-CB 4.03Å; Y20-D22 WeakPolarHBondContact CE1-OD2 3.25Å; Y20-R29 PolarHBondContact N-O 2.9Å; Y20-R29 PolarHBondContact O-N 2.96Å; Y20-A41 HydrophobicContact CD2-CB 3.85Å; Y20-A41 HydrophobicContact CE2-CB 3.65Å
21M97Very high95.9Very high35 Ų3564.3 Ų64.317%0.17228%0.28CS..  trans-149158.1168.664.6167.270.800109.2T25 Y27 W28 V295 V298 Y299M21-T25 WeakPolarHBondContact CB-O 3.31Å; M21-Y27 WeakPolarHBondContact CB-O 3.32Å; M21-W28 HydrophobicContact CE-CD2 3.5Å; M21-W28 HydrophobicContact CE-CE3 3.41Å; M21-W28 VanDerWaalsContact CE-CE3 3.41Å; M21-W28 HydrophobicContact CE-CG 4.24Å; M21-W28 HydrophobicContact CE-CH2 3.68Å; M21-W28 HydrophobicContact CE-CZ2 3.77Å; M21-W28 HydrophobicContact CE-CZ3 3.52Å; M21-W28 HydrophobicContact CG-CE3 4.34Å; M21-W28 HydrophobicContact CG-CZ3 4.04Å; M21-W28 HydrophobicContact SD-CZ3 4.42Å; M21-V295 HydrophobicContact SD-CB 4.43Å; M21-V295 HydrophobicContact SD-CG1 3.79Å; M21-V295 HydrophobicContact SD-CG2 4.03Å; M21-V298 HydrophobicContact CE-CB 4.11Å; M21-V298 HydrophobicContact CE-CG1 3.46Å; M21-V298 VanDerWaalsContact CE-CG1 3.46Å; M21-Y299 HydrophobicContact CE-CE2 4.27Å; M21-Y299 HydrophobicContact SD-CE2 4.49Å
22D96.7Very high95.9Very high53 Ų5370.5 Ų70.528%0.28331%0.308SS..  trans-144.9-178.3174.76550.5000110.2Y20 K24 T25 P26Y20-D22 HydrophobicContact CE1-CB 4.03Å; Y20-D22 WeakPolarHBondContact CE1-OD2 3.25Å; D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.95Å; D22-K24 VanDerWaalsContact OD1-CA 3.29Å; D22-K24 WeakPolarHBondContact OD1-CA 3.23Å; D22-K24 VanDerWaalsContact OD1-CB 3.3Å; D22-K24 WeakPolarHBondContact OD1-CB 3.34Å; D22-K24 PolarHBondContact OD1-N 2.83Å; D22-T25 PolarHBondContact N-O 3.01Å; D22-T25 CarbonylContact O-C 3.44Å; D22-T25 PolarHBondContact O-N 3.42Å; D22-T25 PolarHBondContact OD1-N 3.11Å; D22-T25 PolarHBondContact OD1-OG1 3.19Å; D22-P26 WeakPolarHBondContact O-CA 3.42Å
23K93.1Very high96Very high152 Ų15273.7 Ų73.766%0.66132%0.322SS*.SBendtrans-58.4-37.6179.5179.1-179.5172.8-179.60113.3E185K23-E185 VanDerWaalsContact CD-OE1 3.31Å; K23-E185 WeakPolarHBondContact CD-OE1 3.28Å; K23-E185 WeakPolarHBondContact CE-OE1 3.2Å; K23-E185 IonicContact NZ-OE1 2.6Å; K23-E185 PolarHBondContact NZ-OE1 2.89Å
24K94.5Very high96.1Very high193 Ų19371.5 Ų71.584%0.83932%0.315SS*.SBendtrans-76.3-31.6179.6-60.1-179.3-179.8178.60110.9D22 P26D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.95Å; D22-K24 VanDerWaalsContact OD1-CA 3.29Å; D22-K24 WeakPolarHBondContact OD1-CA 3.23Å; D22-K24 VanDerWaalsContact OD1-CB 3.3Å; D22-K24 WeakPolarHBondContact OD1-CB 3.34Å; D22-K24 PolarHBondContact OD1-N 2.83Å; K24-P26 VanDerWaalsContact C-CD 3.48Å; K24-P26 WeakPolarHBondContact O-CD 3.49Å
25T95.9Very high96.2Very high23 Ų2365.1 Ų65.114%0.14129%0.29CS..SBendtrans-126.969.2-174-33.70000110.8M21 D22 Y27 R29M21-T25 WeakPolarHBondContact CB-O 3.31Å; D22-T25 PolarHBondContact N-O 3.01Å; D22-T25 CarbonylContact O-C 3.44Å; D22-T25 PolarHBondContact O-N 3.42Å; D22-T25 PolarHBondContact OD1-N 3.11Å; D22-T25 PolarHBondContact OD1-OG1 3.19Å; T25-Y27 HydrophobicContact CG2-CD1 3.94Å; T25-Y27 HydrophobicContact CG2-CE1 3.23Å; T25-Y27 HydrophobicContact CG2-CE2 4.03Å; T25-Y27 WeakPolarHBondContact CG2-OH 3.4Å; T25-Y27 PolarHBondContact O-N 3.45Å; T25-R29 HydrophobicContact CG2-CG 4.25Å
26P95.5Very high96.3Very high14 Ų1467.4 Ų67.49%0.09130%0.301CS..  trans-82.850.7-169.436.2-39.6000112.4D22 K24 R294 V295D22-P26 WeakPolarHBondContact O-CA 3.42Å; K24-P26 VanDerWaalsContact C-CD 3.48Å; K24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-R294 HydrophobicContact CB-CB 3.98Å; P26-R294 HydrophobicContact CG-CB 3.9Å; P26-R294 VanDerWaalsContact CG-CD 3.49Å; P26-R294 HydrophobicContact CG-CG 4.36Å; P26-V295 HydrophobicContact CB-CG2 4.06Å
27Y95.1Very high96.3Very high125 Ų12568.9 Ų68.949%0.4931%0.309SS..SBendtrans-147154.7175.759.2-91000110.5M21 T25 R29M21-Y27 WeakPolarHBondContact CB-O 3.32Å; T25-Y27 HydrophobicContact CG2-CD1 3.94Å; T25-Y27 HydrophobicContact CG2-CE1 3.23Å; T25-Y27 HydrophobicContact CG2-CE2 4.03Å; T25-Y27 WeakPolarHBondContact CG2-OH 3.4Å; T25-Y27 PolarHBondContact O-N 3.45Å; Y27-R29 HydrophobicContact CD2-CG 3.75Å; Y27-R29 HydrophobicContact CE2-CG 3.34Å; Y27-R29 PolarHBondContact O-N 2.83Å; Y27-R29 VanDerWaalsContact O-N 3.07Å
28W95Very high96.3Very high64 Ų6471.2 Ų71.224%0.24233%0.327CS..  trans-61.9114.7179.5-71.2138.7000111.4L19 M21 P244 V298 Y299 S302L19-W28 HydrophobicContact CB-CB 4.33Å; L19-W28 HydrophobicContact CB-CD2 4.01Å; L19-W28 HydrophobicContact CB-CE3 3.54Å; L19-W28 HydrophobicContact CB-CG 4.35Å; L19-W28 HydrophobicContact CB-CZ3 4.21Å; L19-W28 HydrophobicContact CD1-CB 4.08Å; L19-W28 HydrophobicContact CD1-CD2 4.13Å; L19-W28 HydrophobicContact CD1-CG 3.93Å; M21-W28 HydrophobicContact CE-CD2 3.5Å; M21-W28 HydrophobicContact CE-CE3 3.41Å; M21-W28 VanDerWaalsContact CE-CE3 3.41Å; M21-W28 HydrophobicContact CE-CG 4.24Å; M21-W28 HydrophobicContact CE-CH2 3.68Å; M21-W28 HydrophobicContact CE-CZ2 3.77Å; M21-W28 HydrophobicContact CE-CZ3 3.52Å; M21-W28 HydrophobicContact CG-CE3 4.34Å; M21-W28 HydrophobicContact CG-CZ3 4.04Å; M21-W28 HydrophobicContact SD-CZ3 4.42Å; W28-P244 VanDerWaalsContact CD1-O 3.29Å; W28-V298 HydrophobicContact CB-CG1 4.32Å; W28-V298 HydrophobicContact CD2-CG1 3.85Å; W28-V298 HydrophobicContact CG-CG1 3.52Å; W28-V298 HydrophobicContact CZ2-CG1 4.46Å; W28-Y299 HydrophobicContact CH2-CE1 4.32Å; W28-Y299 AromaticContact CH2-CE2 3.86Å; W28-Y299 HydrophobicContact CH2-CE2 3.86Å; W28-Y299 AromaticContact CH2-CZ 3.64Å; W28-Y299 WeakPolarHBondContact CH2-OH 3.3Å; W28-Y299 HydrophobicContact CZ2-CD1 4.34Å; W28-Y299 HydrophobicContact CZ2-CD2 4.14Å; W28-Y299 AromaticContact CZ2-CE1 3.94Å; W28-Y299 HydrophobicContact CZ2-CE1 3.94Å; W28-Y299 AromaticContact CZ2-CE2 3.69Å; W28-Y299 HydrophobicContact CZ2-CE2 3.69Å; W28-Y299 HydrophobicContact CZ2-CG 4.46Å; W28-Y299 AromaticContact CZ2-CZ 3.6Å; W28-S302 PolarHBondContact NE1-OG 2.65Å
29R95Very high96.3Very high115 Ų11574 Ų7443%0.43434%0.344SS..EExtended strand (participates in β ladder)trans-109.3130167.5-70.5-175.361.6-170.20.2109.7L19 Y20 T25 Y27 S31L19-R29 CarbonylContact C-O 3.46Å; L19-R29 VanDerWaalsContact CA-O 3.28Å; L19-R29 WeakPolarHBondContact CA-O 3.01Å; Y20-R29 PolarHBondContact N-O 2.9Å; Y20-R29 PolarHBondContact O-N 2.96Å; T25-R29 HydrophobicContact CG2-CG 4.25Å; Y27-R29 HydrophobicContact CD2-CG 3.75Å; Y27-R29 HydrophobicContact CE2-CG 3.34Å; Y27-R29 PolarHBondContact O-N 2.83Å; Y27-R29 VanDerWaalsContact O-N 3.07Å; R29-S31 PolarHBondContact O-N 2.82Å
30Q95.1Very high96.3Very high89 Ų8972.6 Ų72.642%0.41634%0.337SS..EExtended strand (participates in β ladder)trans-65.2124.8168.3-176.3172.8-72.700109.3R17 L19R17-Q30 VanDerWaalsContact CZ-CD 3.42Å; L19-Q30 HydrophobicContact CD2-CB 4.16Å
31S96.1Very high96.3Very high18 Ų1869.4 Ų69.413%0.12633%0.331CS..  trans-72145.6174.7-170.10000111.2Y18 R29 H33Y18-S31 VanDerWaalsContact CE1-CB 3.5Å; Y18-S31 PolarHBondContact O-N 3Å; Y18-S31 PolarHBondContact OH-OG 2.84Å; R29-S31 PolarHBondContact O-N 2.82Å; S31-H33 PolarHBondContact OG-N 2.88Å; S31-H33 VanDerWaalsContact OG-N 3.16Å
32F96Very high96.4Very high175 Ų17568.4 Ų68.477%0.76833%0.326SS*.SBendtrans-75-29168.2-65.7-71.5000111.8K11K11-F32 PolarHBondContact NZ-O 3.47Å
33H97.5Very high96.4Very high67 Ų6766 Ų6631%0.3131%0.313SS..SBendtrans-82.4155.9178.8-65.8-77000111.4K11 Y18 S31 D37K11-H33 VanDerWaalsContact NZ-C 3.3Å; Y18-H33 HydrophobicContact CE1-CB 4.42Å; Y18-H33 WeakPolarHBondContact CE1-O 3.27Å; S31-H33 PolarHBondContact OG-N 2.88Å; S31-H33 VanDerWaalsContact OG-N 3.16Å; H33-D37 HydrophobicContact CB-CB 4.03Å; H33-D37 IonicContact CE1-OD2 3.13Å; H33-D37 IonicContact CG-OD2 3.88Å; H33-D37 IonicContact ND1-OD1 2.64Å; H33-D37 IonicContact ND1-OD2 2.77Å; H33-D37 PolarHBondContact ND1-OD2 3.33Å
34D97.9Very high96.7Very high41 Ų4164.6 Ų64.622%0.21930%0.304CS..  trans-77.5158.1164.7-71.9-66.4000110.5K11 T16 Y18 D36 D37K11-D34 WeakPolarHBondContact CD-OD1 3.31Å; K11-D34 VanDerWaalsContact CE-OD1 3.31Å; K11-D34 WeakPolarHBondContact CE-OD1 3.26Å; K11-D34 VanDerWaalsContact CE-OD2 3.26Å; K11-D34 WeakPolarHBondContact CE-OD2 3.43Å; K11-D34 WeakPolarHBondContact CG-OD1 3.46Å; K11-D34 IonicContact NZ-OD1 3.62Å; K11-D34 PolarHBondContact NZ-OD1 2.73Å; K11-D34 IonicContact NZ-OD2 2.58Å; K11-D34 PolarHBondContact NZ-OD2 2.87Å; T16-D34 WeakPolarHBondContact CB-OD1 2.95Å; T16-D34 HydrophobicContact CG2-CB 4.45Å; T16-D34 PolarHBondContact OG1-OD1 2.81Å; Y18-D34 WeakPolarHBondContact CE1-O 3.19Å; D34-D36 WeakPolarHBondContact CB-OD1 3.3Å; D34-D36 PolarHBondContact O-N 2.91Å; D34-D37 HydrophobicContact CB-CB 4.21Å; D34-D37 WeakPolarHBondContact O-CB 3.29Å; D34-D37 PolarHBondContact O-N 3.12Å; D34-D37 VanDerWaalsContact O-N 3.17Å
35I98Very high96.8Very high12 Ų1257.5 Ų57.56%0.06228%0.276CS..THydrogen-bonded Turntrans-65.7-24.7-178.7-16756.9000112.8T16 Y18 L42 Y108T16-I35 HydrophobicContact CG2-CG2 4.48Å; T16-I35 PolarHBondContact O-N 3.38Å; Y18-I35 HydrophobicContact CD1-CB 3.93Å; Y18-I35 HydrophobicContact CD1-CD1 3.92Å; Y18-I35 HydrophobicContact CD2-CD1 4.35Å; Y18-I35 HydrophobicContact CE1-CB 4.48Å; Y18-I35 HydrophobicContact CE1-CD1 4.35Å; Y18-I35 HydrophobicContact CG-CD1 3.9Å; I35-L42 HydrophobicContact CD1-CD2 4.05Å; I35-L42 HydrophobicContact CG1-CD2 4.49Å; I35-Y108 HydrophobicContact CG1-CD2 3.9Å; I35-Y108 HydrophobicContact CG1-CE1 4.3Å; I35-Y108 HydrophobicContact CG1-CE2 3.65Å; I35-Y108 HydrophobicContact CG1-CG 4.33Å; I35-Y108 HydrophobicContact CG2-CD1 3.78Å; I35-Y108 HydrophobicContact CG2-CE1 3.81Å; I35-Y108 HydrophobicContact CG2-CG 4.15Å
36D97.6Very high96.9Very high53 Ų5356.4 Ų56.428%0.28327%0.27SS..THydrogen-bonded Turntrans-96.27177.358.3-25.8000113.1T16 D34 K113T16-D36 WeakPolarHBondContact CG2-OD1 3.45Å; D34-D36 WeakPolarHBondContact CB-OD1 3.3Å; D34-D36 PolarHBondContact O-N 2.91Å; D36-K113 VanDerWaalsContact OD2-CE 3.31Å; D36-K113 WeakPolarHBondContact OD2-CE 3.35Å; D36-K113 IonicContact OD2-NZ 3.92Å; D36-K113 PolarHBondContact OD2-NZ 3.44Å
37D97.8Very high97Very high40 Ų4059.6 Ų59.621%0.21428%0.283CS..  trans-81120.9176.3-173.7-18.2000110.3H33 D34 D39 G40H33-D37 HydrophobicContact CB-CB 4.03Å; H33-D37 IonicContact CE1-OD2 3.13Å; H33-D37 IonicContact CG-OD2 3.88Å; H33-D37 IonicContact ND1-OD1 2.64Å; H33-D37 IonicContact ND1-OD2 2.77Å; H33-D37 PolarHBondContact ND1-OD2 3.33Å; D34-D37 HydrophobicContact CB-CB 4.21Å; D34-D37 WeakPolarHBondContact O-CB 3.29Å; D34-D37 PolarHBondContact O-N 3.12Å; D34-D37 VanDerWaalsContact O-N 3.17Å; D37-D39 PolarHBondContact O-N 2.86Å; D37-D39 WeakPolarHBondContact OD1-CB 3.39Å; D37-D39 PolarHBondContact OD1-N 2.94Å; D37-G40 PolarHBondContact O-N 3.01Å
38P97.3Very high97Very high75 Ų7557 Ų5749%0.48728%0.282SS..THydrogen-bonded Turntrans-61.2-27.3178.825.6-34.3000113G40 G43 R44 F106P38-G40 PolarHBondContact O-N 2.81Å; P38-G43 CarbonylContact O-C 3.55Å; P38-G43 WeakPolarHBondContact O-CA 3.3Å; P38-R44 PolarHBondContact O-N 3.16Å; P38-F106 HydrophobicContact CB-CD1 4.08Å
39D97.6Very high97Very high81 Ų8154.1 Ų54.143%0.43327%0.271SS..THydrogen-bonded Turntrans-79.3-7.9176.3-74.7-53.4000113.2D37 R44D37-D39 PolarHBondContact O-N 2.86Å; D37-D39 WeakPolarHBondContact OD1-CB 3.39Å; D37-D39 PolarHBondContact OD1-N 2.94Å; D39-R44 PolarHBondContact O-NE 3.08Å; D39-R44 IonicContact OD1-CZ 2.89Å; D39-R44 IonicContact OD1-NH1 3.8Å; D39-R44 IonicContact OD1-NH2 3.85Å; D39-R44 PolarHBondContact OD1-NH2 3.49Å
40G97.5Very high97.1Very high2 Ų250.2 Ų50.22%0.02126%0.257CS..SBendtrans-73.9168.7175.900000113.6D37 P38 L42 G43 R44D37-G40 PolarHBondContact O-N 3.01Å; P38-G40 PolarHBondContact O-N 2.81Å; G40-L42 PolarHBondContact O-N 3.46Å; G40-L42 VanDerWaalsContact O-N 3.15Å; G40-G43 PolarHBondContact O-N 2.83Å; G40-R44 WeakPolarHBondContact O-CG 3.42Å; G40-R44 PolarHBondContact O-N 3.14Å
41A97Very high97.1Very high30 Ų3052.8 Ų52.825%0.24827%0.269CS..Hα-helixtrans-56.9-35.8-175.400000113.7Y18 Y20 T45Y18-A41 PolarHBondContact OH-N 3.48Å; Y20-A41 HydrophobicContact CD2-CB 3.85Å; Y20-A41 HydrophobicContact CE2-CB 3.65Å; A41-T45 WeakPolarHBondContact O-CB 3.36Å; A41-T45 PolarHBondContact O-N 3.34Å; A41-T45 VanDerWaalsContact O-N 3.16Å; A41-T45 PolarHBondContact O-OG1 2.71Å
42L97.8Very high97.1Very high15 Ų1552.8 Ų52.88%0.07927%0.27CS..Hα-helixtrans-74.9-45.3179.4-175.258.4000112I35 G40 T45 L46 L93 F100 F106 Y108 L119I35-L42 HydrophobicContact CD1-CD2 4.05Å; I35-L42 HydrophobicContact CG1-CD2 4.49Å; G40-L42 PolarHBondContact O-N 3.46Å; G40-L42 VanDerWaalsContact O-N 3.15Å; L42-T45 WeakPolarHBondContact O-CB 3.31Å; L42-T45 PolarHBondContact O-N 3.37Å; L42-L46 HydrophobicContact CD1-CD1 4.39Å; L42-L46 PolarHBondContact O-N 3.06Å; L42-L93 HydrophobicContact CD1-CD1 4.39Å; L42-L93 HydrophobicContact CD1-CD2 3.88Å; L42-F100 HydrophobicContact CD1-CE1 4.43Å; L42-F100 HydrophobicContact CD1-CZ 4.06Å; L42-F100 HydrophobicContact CD2-CE1 4.29Å; L42-F100 HydrophobicContact CD2-CE2 4.2Å; L42-F100 HydrophobicContact CD2-CZ 3.62Å; L42-F100 HydrophobicContact CG-CZ 3.99Å; L42-F106 HydrophobicContact CB-CE2 4.38Å; L42-F106 HydrophobicContact CB-CZ 4.35Å; L42-F106 HydrophobicContact CD2-CE2 4.13Å; L42-F106 HydrophobicContact CD2-CZ 4.34Å; L42-F106 HydrophobicContact CG-CE2 3.82Å; L42-F106 HydrophobicContact CG-CZ 4.2Å; L42-Y108 HydrophobicContact CD2-CD2 3.94Å; L42-Y108 HydrophobicContact CD2-CE2 4.19Å; L42-L119 HydrophobicContact CD1-CD2 3.71Å; L42-L119 HydrophobicContact CD2-CD2 3.8Å; L42-L119 HydrophobicContact CG-CD2 4.4Å
43G97.9Very high96.9Very high1 Ų145.3 Ų45.31%0.0124%0.238CC..Hα-helixtrans-57.6-52.4174.800000111.5P38 G40 T45 L46 E47P38-G43 CarbonylContact O-C 3.55Å; P38-G43 WeakPolarHBondContact O-CA 3.3Å; G40-G43 PolarHBondContact O-N 2.83Å; G43-T45 PolarHBondContact O-N 3.36Å; G43-L46 PolarHBondContact O-N 2.85Å; G43-E47 WeakPolarHBondContact O-CB 3.25Å; G43-E47 PolarHBondContact O-N 3.44Å
44R97.8Very high96.6Very high124 Ų12449.7 Ų49.747%0.46826%0.264SS..Hα-helixtrans-61.8-24.2175.8-66.3-167.5-173.7-74.9-6.2114.9P38 D39 G40 P48P38-R44 PolarHBondContact O-N 3.16Å; D39-R44 PolarHBondContact O-NE 3.08Å; D39-R44 IonicContact OD1-CZ 2.89Å; D39-R44 IonicContact OD1-NH1 3.8Å; D39-R44 IonicContact OD1-NH2 3.85Å; D39-R44 PolarHBondContact OD1-NH2 3.49Å; G40-R44 WeakPolarHBondContact O-CG 3.42Å; G40-R44 PolarHBondContact O-N 3.14Å; R44-P48 WeakPolarHBondContact O-CD 2.98Å
45T97.5Very high96.4Very high43 Ų4353 Ų5326%0.26428%0.279SS..Hα-helixtrans-72.8-37.6174.1-64.70000111.1A41 L42 G43 F91A41-T45 WeakPolarHBondContact O-CB 3.36Å; A41-T45 PolarHBondContact O-N 3.34Å; A41-T45 VanDerWaalsContact O-N 3.16Å; A41-T45 PolarHBondContact O-OG1 2.71Å; L42-T45 WeakPolarHBondContact O-CB 3.31Å; L42-T45 PolarHBondContact O-N 3.37Å; G43-T45 PolarHBondContact O-N 3.36Å; T45-F91 HydrophobicContact CG2-CD2 4.4Å; T45-F91 HydrophobicContact CG2-CE2 4.28Å; T45-F91 HydrophobicContact CG2-CZ 4.41Å
46L98Very high96.1Very high0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-92.3-23.4-175-65.6175.4000113.3L42 G43 L49 Y50 V82 F91 L93 F100 P101 F106L42-L46 HydrophobicContact CD1-CD1 4.39Å; L42-L46 PolarHBondContact O-N 3.06Å; G43-L46 PolarHBondContact O-N 2.85Å; L46-L49 WeakPolarHBondContact O-CA 3.33Å; L46-L49 WeakPolarHBondContact O-CB 3.43Å; L46-L49 PolarHBondContact O-N 3.17Å; L46-Y50 HydrophobicContact CB-CD2 4.05Å; L46-Y50 HydrophobicContact CB-CE2 3.51Å; L46-Y50 HydrophobicContact CD1-CE2 4.43Å; L46-Y50 WeakPolarHBondContact O-CD2 3.26Å; L46-Y50 PolarHBondContact O-N 2.98Å; L46-Y50 VanDerWaalsContact O-N 3.08Å; L46-V82 HydrophobicContact CD2-CB 4.46Å; L46-V82 HydrophobicContact CD2-CG1 4.24Å; L46-V82 HydrophobicContact CD2-CG2 4.24Å; L46-F91 HydrophobicContact CD2-CE2 4.25Å; L46-F91 HydrophobicContact CD2-CZ 4.09Å; L46-L93 HydrophobicContact CD2-CD2 4.15Å; L46-F100 HydrophobicContact CD1-CE1 4.41Å; L46-F100 HydrophobicContact CD1-CE2 4.35Å; L46-F100 HydrophobicContact CD1-CZ 3.65Å; L46-P101 HydrophobicContact CD1-CB 4.04Å; L46-P101 HydrophobicContact CD1-CG 4.31Å; L46-F106 HydrophobicContact CD1-CD2 3.87Å; L46-F106 HydrophobicContact CD1-CE2 4.16Å
47E97Very high95.9Very high81 Ų8161.2 Ų61.238%0.37933%0.326SS..Hα-helixtrans-49.5-52.3179.4169.7-178.5-114.900113.2G43 L49 Y50 E51G43-E47 WeakPolarHBondContact O-CB 3.25Å; G43-E47 PolarHBondContact O-N 3.44Å; E47-L49 PolarHBondContact O-N 2.74Å; E47-L49 VanDerWaalsContact O-N 3.14Å; E47-Y50 PolarHBondContact O-N 2.77Å; E47-E51 PolarHBondContact O-N 2.88Å
48P94.8Very high95.8Very high71 Ų7160 Ų6046%0.46132%0.32SS..Hα-helixtrans-62.8-26.2178.9-23.433.9000114R44 A52R44-P48 WeakPolarHBondContact O-CD 2.98Å; P48-A52 VanDerWaalsContact O-CB 3.25Å; P48-A52 WeakPolarHBondContact O-CB 3.28Å; P48-A52 PolarHBondContact O-N 2.64Å
49L96.7Very high95.8Very high4 Ų456.5 Ų56.52%0.02130%0.297CS..Hα-helixtrans-69.7-49.4173.2164.762.4000109.8L46 E47 E51 A52 M53 T58 Y60 M62 V82 A84 F91L46-L49 WeakPolarHBondContact O-CA 3.33Å; L46-L49 WeakPolarHBondContact O-CB 3.43Å; L46-L49 PolarHBondContact O-N 3.17Å; E47-L49 PolarHBondContact O-N 2.74Å; E47-L49 VanDerWaalsContact O-N 3.14Å; L49-E51 VanDerWaalsContact C-N 3.31Å; L49-E51 PolarHBondContact O-N 2.85Å; L49-A52 CarbonylContact O-C 3.59Å; L49-A52 PolarHBondContact O-N 3.41Å; L49-M53 HydrophobicContact CD1-CE 4.13Å; L49-M53 HydrophobicContact CD1-CG 4.13Å; L49-M53 HydrophobicContact CD2-CE 4.09Å; L49-M53 HydrophobicContact CG-CE 3.83Å; L49-M53 HydrophobicContact CG-CG 4.48Å; L49-M53 WeakPolarHBondContact O-CG 3.44Å; L49-M53 PolarHBondContact O-N 3.05Å; L49-M53 VanDerWaalsContact O-N 3.08Å; L49-T58 HydrophobicContact CD1-CG2 4.48Å; L49-Y60 HydrophobicContact CD1-CD1 4.17Å; L49-Y60 HydrophobicContact CD1-CG 3.91Å; L49-M62 HydrophobicContact CD2-CE 3.66Å; L49-V82 HydrophobicContact CD2-CG1 3.57Å; L49-A84 HydrophobicContact CB-CB 4.25Å; L49-A84 HydrophobicContact CD1-CB 3.83Å; L49-A84 HydrophobicContact CD2-CB 4.08Å; L49-A84 HydrophobicContact CG-CB 4.26Å; L49-F91 HydrophobicContact CB-CZ 4.44Å; L49-F91 HydrophobicContact CD2-CZ 4.4Å
50Y97Very high95.8Very high33 Ų3354.2 Ų54.213%0.12928%0.282CS..Hα-helixtrans-59.3-40.9-179.5-67.7-59.7000112.4L46 E47 A52 M53 M62 P102 T105 F106L46-Y50 HydrophobicContact CB-CD2 4.05Å; L46-Y50 HydrophobicContact CB-CE2 3.51Å; L46-Y50 HydrophobicContact CD1-CE2 4.43Å; L46-Y50 WeakPolarHBondContact O-CD2 3.26Å; L46-Y50 PolarHBondContact O-N 2.98Å; L46-Y50 VanDerWaalsContact O-N 3.08Å; E47-Y50 PolarHBondContact O-N 2.77Å; Y50-A52 VanDerWaalsContact C-N 3.25Å; Y50-A52 PolarHBondContact O-N 3.11Å; Y50-M53 HydrophobicContact CD1-CE 3.73Å; Y50-M53 HydrophobicContact CD1-SD 3.9Å; Y50-M53 HydrophobicContact CE1-CE 3.88Å; Y50-M53 HydrophobicContact CE1-SD 4.49Å; Y50-M53 PolarHBondContact O-N 3.27Å; Y50-M62 HydrophobicContact CE1-CE 4.17Å; Y50-P102 WeakPolarHBondContact CE1-O 3.19Å; Y50-P102 PolarHBondContact OH-O 3.42Å; Y50-T105 PolarHBondContact OH-O 3.03Å; Y50-F106 HydrophobicContact CD2-CB 4.38Å; Y50-F106 HydrophobicContact CE2-CB 3.77Å; Y50-F106 VanDerWaalsContact CE2-N 3.33Å
51E95.2Very high95.9Very high142 Ų14254.1 Ų54.166%0.66428%0.281SS*.Hα-helixtrans-64.5-29175.5-66.6179.5158.800113.2E47 L49E47-E51 PolarHBondContact O-N 2.88Å; L49-E51 VanDerWaalsContact C-N 3.31Å; L49-E51 PolarHBondContact O-N 2.85Å
52A94.4Very high95.9Very high19 Ų1952.7 Ų52.716%0.15727%0.269CS..Hα-helixtrans-99.30.8-17500000114.1P48 L49 Y50 D54 M55 T58P48-A52 VanDerWaalsContact O-CB 3.25Å; P48-A52 WeakPolarHBondContact O-CB 3.28Å; P48-A52 PolarHBondContact O-N 2.64Å; L49-A52 CarbonylContact O-C 3.59Å; L49-A52 PolarHBondContact O-N 3.41Å; Y50-A52 VanDerWaalsContact C-N 3.25Å; Y50-A52 PolarHBondContact O-N 3.11Å; A52-D54 VanDerWaalsContact C-N 3.31Å; A52-D54 PolarHBondContact O-N 3.42Å; A52-M55 HydrophobicContact CB-SD 4.26Å; A52-M55 WeakPolarHBondContact O-CB 3.49Å; A52-M55 PolarHBondContact O-N 2.87Å; A52-M55 VanDerWaalsContact O-N 3.16Å; A52-T58 HydrophobicContact CB-CG2 4.2Å; A52-T58 VanDerWaalsContact O-CB 3.31Å; A52-T58 WeakPolarHBondContact O-CB 3.43Å; A52-T58 PolarHBondContact O-OG1 3.06Å
53M93Very high96Very high18 Ų1852 Ų529%0.08927%0.266CS..THydrogen-bonded Turntrans-64.3-32.5-175-85.6-177.7175.900113.6L49 Y50 M55 Y60 M62L49-M53 HydrophobicContact CD1-CE 4.13Å; L49-M53 HydrophobicContact CD1-CG 4.13Å; L49-M53 HydrophobicContact CD2-CE 4.09Å; L49-M53 HydrophobicContact CG-CE 3.83Å; L49-M53 HydrophobicContact CG-CG 4.48Å; L49-M53 WeakPolarHBondContact O-CG 3.44Å; L49-M53 PolarHBondContact O-N 3.05Å; L49-M53 VanDerWaalsContact O-N 3.08Å; Y50-M53 HydrophobicContact CD1-CE 3.73Å; Y50-M53 HydrophobicContact CD1-SD 3.9Å; Y50-M53 HydrophobicContact CE1-CE 3.88Å; Y50-M53 HydrophobicContact CE1-SD 4.49Å; Y50-M53 PolarHBondContact O-N 3.27Å; M53-M55 VanDerWaalsContact C-N 3.26Å; M53-M55 PolarHBondContact O-N 3.4Å; M53-Y60 HydrophobicContact CE-CE2 4.44Å; M53-Y60 HydrophobicContact CG-CD1 4.32Å; M53-Y60 HydrophobicContact CG-CE1 4.03Å; M53-M62 HydrophobicContact CE-CE 3.26Å; M53-M62 HydrophobicContact CE-SD 4.36Å
54D91.5Very high96Very high159 Ų15952 Ų5285%0.8527%0.265SS*.THydrogen-bonded Turntrans-78.2-10.4178.7-67.8-26.7000112.9A52 I56A52-D54 VanDerWaalsContact C-N 3.31Å; A52-D54 PolarHBondContact O-N 3.42Å; D54-I56 PolarHBondContact O-N 3.02Å
55M93.2Very high96Very high109 Ų10946.6 Ų46.654%0.53725%0.246SC..  trans-81.6114.9178-56.7-178.2-174.300109.9A52 M53 T57 T58 Q147A52-M55 HydrophobicContact CB-SD 4.26Å; A52-M55 WeakPolarHBondContact O-CB 3.49Å; A52-M55 PolarHBondContact O-N 2.87Å; A52-M55 VanDerWaalsContact O-N 3.16Å; M53-M55 VanDerWaalsContact C-N 3.26Å; M53-M55 PolarHBondContact O-N 3.4Å; M55-T57 PolarHBondContact O-N 3.18Å; M55-T58 WeakPolarHBondContact O-CB 3.48Å; M55-T58 PolarHBondContact O-N 3.47Å; M55-T58 PolarHBondContact O-OG1 3.32Å; M55-Q147 PolarHBondContact O-NE2 2.63Å
56I92.1Very high96Very high138 Ų13845.2 Ų45.271%0.70824%0.239SC*.THydrogen-bonded Turntrans-58-14.2-178.164.5169.4000115.2D54 P149D54-I56 PolarHBondContact O-N 3.02Å; I56-P149 WeakPolarHBondContact O-CG 3.31Å
57T93.2Very high96Very high101 Ų10147.2 Ų47.262%0.6225%0.247SC*.THydrogen-bonded Turntrans-90.5-14.1179.152.60000113.2M55 F59 P149M55-T57 PolarHBondContact O-N 3.18Å; T57-F59 PolarHBondContact O-N 3.27Å; T57-P149 WeakPolarHBondContact O-CG 3.39Å
58T94.7Very high96Very high15 Ų1544.9 Ų44.99%0.09224%0.238CC..  trans-74.3124.6178.9-60.20000109.9L49 A52 M55 Q147L49-T58 HydrophobicContact CD1-CG2 4.48Å; A52-T58 HydrophobicContact CB-CG2 4.2Å; A52-T58 VanDerWaalsContact O-CB 3.31Å; A52-T58 WeakPolarHBondContact O-CB 3.43Å; A52-T58 PolarHBondContact O-OG1 3.06Å; M55-T58 WeakPolarHBondContact O-CB 3.48Å; M55-T58 PolarHBondContact O-N 3.47Å; M55-T58 PolarHBondContact O-OG1 3.32Å; T58-Q147 PolarHBondContact O-NE2 3.01Å
59F97.8Very high96.1Very high1 Ų147.4 Ų47.40%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-87.7128.9166167.4-98.4000109.4T57 M61 L83 A84 F85 L129 Q147 V148 I152 L159T57-F59 PolarHBondContact O-N 3.27Å; F59-M61 HydrophobicContact CZ-CB 4.21Å; F59-L83 HydrophobicContact CE1-CB 3.86Å; F59-L83 HydrophobicContact CE1-CD1 4.35Å; F59-L83 HydrophobicContact CZ-CB 4.46Å; F59-L83 HydrophobicContact CZ-CD1 4.4Å; F59-A84 CarbonylContact O-C 3.51Å; F59-A84 VanDerWaalsContact O-CA 3.3Å; F59-A84 WeakPolarHBondContact O-CA 3.46Å; F59-F85 HydrophobicContact CB-CB 4.38Å; F59-F85 HydrophobicContact CD1-CB 3.95Å; F59-F85 AromaticContact CD1-CD2 3.8Å; F59-F85 HydrophobicContact CD1-CD2 3.8Å; F59-F85 HydrophobicContact CD1-CG 4.26Å; F59-F85 AromaticContact CE1-CD2 3.98Å; F59-F85 HydrophobicContact CE1-CD2 3.98Å; F59-F85 PolarHBondContact N-O 3.02Å; F59-F85 VanDerWaalsContact N-O 3.12Å; F59-F85 PolarHBondContact O-N 3.41Å; F59-L129 HydrophobicContact CD1-CD1 4.39Å; F59-L129 HydrophobicContact CD1-CD2 3.74Å; F59-L129 HydrophobicContact CE1-CD1 3.61Å; F59-L129 HydrophobicContact CE1-CD2 3.71Å; F59-L129 HydrophobicContact CE1-CG 4.3Å; F59-L129 HydrophobicContact CG-CD2 4.24Å; F59-L129 HydrophobicContact CZ-CD1 4.04Å; F59-L129 HydrophobicContact CZ-CD2 4.2Å; F59-Q147 WeakPolarHBondContact CA-O 3.35Å; F59-Q147 WeakPolarHBondContact CD2-O 3.49Å; F59-V148 HydrophobicContact CD2-CB 4.45Å; F59-V148 HydrophobicContact CD2-CG1 4.22Å; F59-V148 HydrophobicContact CD2-CG2 4.22Å; F59-V148 HydrophobicContact CE2-CG1 4.34Å; F59-V148 HydrophobicContact CE2-CG2 4Å; F59-I152 HydrophobicContact CB-CG1 4.26Å; F59-I152 HydrophobicContact CB-CG2 4.3Å; F59-I152 HydrophobicContact CD2-CG2 3.78Å; F59-I152 HydrophobicContact CE2-CG2 4.39Å; F59-I152 HydrophobicContact CG-CG2 4.11Å; F59-L159 HydrophobicContact CD2-CD1 4.46Å; F59-L159 HydrophobicContact CE2-CD1 3.79Å; F59-L159 HydrophobicContact CZ-CD1 3.95Å; F59-L159 HydrophobicContact CZ-CD2 4.12Å
60Y98.2Very high96Very high32 Ų3248.9 Ų48.913%0.12526%0.264CS..EExtended strand (participates in β ladder)trans-145.1155.9164.674.5-94.3000112.2L49 M53 M62 L83 A145 A146 Q147L49-Y60 HydrophobicContact CD1-CD1 4.17Å; L49-Y60 HydrophobicContact CD1-CG 3.91Å; M53-Y60 HydrophobicContact CE-CE2 4.44Å; M53-Y60 HydrophobicContact CG-CD1 4.32Å; M53-Y60 HydrophobicContact CG-CE1 4.03Å; Y60-M62 HydrophobicContact CD2-CG 4.44Å; Y60-L83 CarbonylContact C-O 3.53Å; Y60-L83 WeakPolarHBondContact CA-O 3.32Å; Y60-L83 WeakPolarHBondContact CB-O 3.19Å; Y60-A145 HydrophobicContact CE2-CB 4.11Å; Y60-A146 VanDerWaalsContact CE2-CA 3.44Å; Y60-A146 CarbonylContact O-C 3.55Å; Y60-A146 VanDerWaalsContact O-CA 3.24Å; Y60-A146 WeakPolarHBondContact O-CA 3.37Å; Y60-A146 WeakPolarHBondContact O-CB 3.42Å; Y60-Q147 HydrophobicContact CD1-CB 3.59Å; Y60-Q147 HydrophobicContact CE1-CB 3.25Å; Y60-Q147 HydrophobicContact CE1-CG 4.46Å; Y60-Q147 HydrophobicContact CG-CB 4.48Å; Y60-Q147 PolarHBondContact N-O 2.84Å; Y60-Q147 PolarHBondContact O-N 3.03Å
61M98.4Very high96Very high0 Ų050.6 Ų50.60%028%0.278CS..EExtended strand (participates in β ladder)trans-148.1119.8173-176.8-178.5-71.900108.9F59 Y63 V82 L83 L136 V143 A146 V162F59-M61 HydrophobicContact CZ-CB 4.21Å; M61-Y63 HydrophobicContact CG-CD1 4.44Å; M61-V82 CarbonylContact O-C 3.58Å; M61-V82 WeakPolarHBondContact O-CA 3.49Å; M61-L83 HydrophobicContact CB-CB 4.35Å; M61-L83 PolarHBondContact N-O 2.86Å; M61-L83 PolarHBondContact O-N 3.32Å; M61-L136 HydrophobicContact SD-CD1 4.18Å; M61-V143 HydrophobicContact CE-CG2 4.34Å; M61-V143 HydrophobicContact CG-CB 4.47Å; M61-V143 HydrophobicContact CG-CG1 3.75Å; M61-V143 HydrophobicContact CG-CG2 3.88Å; M61-V143 HydrophobicContact SD-CG1 4.49Å; M61-V143 HydrophobicContact SD-CG2 3.66Å; M61-A146 HydrophobicContact CB-CB 4.48Å; M61-A146 HydrophobicContact CG-CB 4.47Å; M61-V162 HydrophobicContact CE-CB 4.26Å; M61-V162 HydrophobicContact CE-CG1 3.92Å; M61-V162 HydrophobicContact SD-CG1 3.65Å
62M98.6Very high96Very high0 Ų047 Ų470%027%0.266CS..EExtended strand (participates in β ladder)trans-107.1130.9171.4-58.2-175.7167.500109.5L49 Y50 M53 Y60 V82 P101 P103 V143 Y144 A145L49-M62 HydrophobicContact CD2-CE 3.66Å; Y50-M62 HydrophobicContact CE1-CE 4.17Å; M53-M62 HydrophobicContact CE-CE 3.26Å; M53-M62 HydrophobicContact CE-SD 4.36Å; Y60-M62 HydrophobicContact CD2-CG 4.44Å; M62-V82 HydrophobicContact CE-CG1 4.48Å; M62-V82 HydrophobicContact CG-CG1 4.24Å; M62-V82 HydrophobicContact CG-CG2 4.3Å; M62-P101 HydrophobicContact CE-CG 4.07Å; M62-P101 HydrophobicContact SD-CG 4.03Å; M62-P103 HydrophobicContact SD-CB 4.18Å; M62-V143 WeakPolarHBondContact O-CA 3.43Å; M62-Y144 HydrophobicContact CB-CD2 4.39Å; M62-Y144 HydrophobicContact CB-CE1 3.89Å; M62-Y144 HydrophobicContact CB-CE2 3.68Å; M62-Y144 VanDerWaalsContact CB-CZ 3.41Å; M62-Y144 WeakPolarHBondContact CB-OH 3.44Å; M62-Y144 WeakPolarHBondContact O-CD1 3.48Å; M62-Y144 PolarHBondContact O-N 3.32Å; M62-Y144 HydrophobicContact SD-CE2 4.09Å; M62-A145 HydrophobicContact CB-CB 4.3Å; M62-A145 PolarHBondContact N-O 2.94Å; M62-A145 HydrophobicContact SD-CB 4.4Å
63Y98.7Very high96Very high1 Ų147.4 Ų47.40%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-141.2144.4-177.164-92.3000111.8M61 S79 K80 G81 W92 L136 P141 G142M61-Y63 HydrophobicContact CG-CD1 4.44Å; Y63-S79 WeakPolarHBondContact CE2-OG 3.47Å; Y63-K80 CarbonylContact O-C 3.52Å; Y63-K80 VanDerWaalsContact O-CA 3.24Å; Y63-K80 WeakPolarHBondContact O-CA 3.45Å; Y63-G81 WeakPolarHBondContact CD1-O 3.44Å; Y63-G81 VanDerWaalsContact CZ-CA 3.44Å; Y63-G81 PolarHBondContact N-O 2.94Å; Y63-G81 PolarHBondContact O-N 3.38Å; Y63-W92 AromaticContact CZ-NE1 3.86Å; Y63-W92 PolarHBondContact OH-NE1 3.1Å; Y63-L136 HydrophobicContact CE1-CD1 4.14Å; Y63-L136 HydrophobicContact CE1-CD2 4.2Å; Y63-L136 HydrophobicContact CE2-CD2 4.41Å; Y63-P141 HydrophobicContact CD2-CB 3.44Å; Y63-P141 VanDerWaalsContact CD2-CB 3.44Å; Y63-P141 HydrophobicContact CD2-CG 4.17Å; Y63-P141 HydrophobicContact CE2-CB 4.15Å; Y63-P141 HydrophobicContact CG-CB 3.78Å; Y63-P141 HydrophobicContact CG-CG 4.13Å; Y63-G142 CarbonylContact C-O 3.59Å; Y63-G142 WeakPolarHBondContact CA-O 3.38Å; Y63-G142 WeakPolarHBondContact CB-O 3.43Å
64N98.5Very high95.9Very high0 Ų056 Ų560%030%0.299CS..  trans-163.5147.2-178.9-159.2-45.5000107.8A66 Y67 S79 K80 V97 F100 G142 Y144N64-A66 VanDerWaalsContact C-N 3.27Å; N64-A66 PolarHBondContact ND2-O 2.92Å; N64-A66 PolarHBondContact OD1-N 2.84Å; N64-A66 PolarHBondContact OD1-O 3.2Å; N64-Y67 WeakPolarHBondContact O-CD1 3.15Å; N64-Y67 WeakPolarHBondContact O-CE1 3.48Å; N64-S79 WeakPolarHBondContact CA-O 3.33Å; N64-K80 HydrophobicContact CB-CB 4.37Å; N64-K80 HydrophobicContact CB-CG 4.34Å; N64-K80 VanDerWaalsContact OD1-CD 3.28Å; N64-K80 WeakPolarHBondContact OD1-CD 3.16Å; N64-K80 WeakPolarHBondContact OD1-CE 3.41Å; N64-K80 WeakPolarHBondContact OD1-CG 3.45Å; N64-V97 PolarHBondContact ND2-O 3.31Å; N64-F100 PolarHBondContact ND2-O 2.89Å; N64-G142 PolarHBondContact N-O 3.19Å; N64-Y144 HydrophobicContact CB-CD1 4.13Å; N64-Y144 HydrophobicContact CB-CE1 3.7Å
65D97.3Very high95.9Very high12 Ų1256.8 Ų56.86%0.06430%0.295CS..SBendtrans-78.4-14.9169.259.4-41.8000113.4V72 S73 A77 H78 K80 R283D65-V72 CarbonylContact O-C 3.58Å; D65-V72 WeakPolarHBondContact O-CA 3.24Å; D65-S73 PolarHBondContact O-N 2.99Å; D65-A77 WeakPolarHBondContact CB-O 3.48Å; D65-H78 IonicContact OD1-ND1 3.78Å; D65-H78 PolarHBondContact OD1-ND1 3.23Å; D65-H78 IonicContact OD2-CE1 2.62Å; D65-H78 IonicContact OD2-CG 3.52Å; D65-H78 IonicContact OD2-ND1 2.79Å; D65-H78 PolarHBondContact OD2-ND1 3.01Å; D65-K80 WeakPolarHBondContact OD1-CE 3.34Å; D65-K80 IonicContact OD1-NZ 2.73Å; D65-K80 PolarHBondContact OD1-NZ 3.08Å; D65-R283 VanDerWaalsContact CB-NH2 3.32Å; D65-R283 IonicContact OD2-CZ 2.7Å; D65-R283 IonicContact OD2-NH1 3.49Å; D65-R283 PolarHBondContact OD2-NH1 2.92Å; D65-R283 VanDerWaalsContact OD2-NH1 3.14Å; D65-R283 IonicContact OD2-NH2 3.2Å; D65-R283 PolarHBondContact OD2-NH2 3.19Å
66A97.5Very high96Very high14 Ų1452 Ų5212%0.11627%0.273CS..BIsolated β-bridgetrans-123.398.2171.600000108.7N64 T71 V72 P98 K99N64-A66 VanDerWaalsContact C-N 3.27Å; N64-A66 PolarHBondContact ND2-O 2.92Å; N64-A66 PolarHBondContact OD1-N 2.84Å; N64-A66 PolarHBondContact OD1-O 3.2Å; A66-T71 CarbonylContact C-O 3.56Å; A66-V72 HydrophobicContact CB-CG2 4.39Å; A66-P98 HydrophobicContact CB-CB 4.05Å; A66-K99 WeakPolarHBondContact O-CA 3.41Å; A66-K99 PolarHBondContact O-N 3.32Å
67Y97.8Very high96.3Very high42 Ų4245.6 Ų45.617%0.16524%0.24CC..  trans-67155.2-173.5-59.8-1.4000111.1N64 N69 G70 T71 Y144N64-Y67 WeakPolarHBondContact O-CD1 3.15Å; N64-Y67 WeakPolarHBondContact O-CE1 3.48Å; Y67-N69 WeakPolarHBondContact CB-OD1 3.46Å; Y67-N69 PolarHBondContact O-N 3.46Å; Y67-G70 PolarHBondContact O-N 3.23Å; Y67-T71 HydrophobicContact CD2-CG2 3.96Å; Y67-T71 HydrophobicContact CE2-CG2 4.22Å; Y67-T71 PolarHBondContact N-O 2.84Å; Y67-Y144 AromaticContact CD1-CD1 3.93Å; Y67-Y144 HydrophobicContact CD1-CD1 3.93Å; Y67-Y144 HydrophobicContact CD1-CG 4.24Å; Y67-Y144 HydrophobicContact CD2-CG 4.46Å; Y67-Y144 HydrophobicContact CE1-CD1 4.38Å; Y67-Y144 HydrophobicContact CG-CD1 4.26Å; Y67-Y144 HydrophobicContact CG-CG 4.13Å
68P97.7Very high96.5Very high31 Ų3141.3 Ų41.320%0.20121%0.213CC..THydrogen-bonded Turntrans-55-35.9178.5-25.733.2000114.4G70 P101 P102 Y144P68-G70 PolarHBondContact O-N 2.79Å; P68-G70 VanDerWaalsContact O-N 3.16Å; P68-P101 WeakPolarHBondContact CG-O 3.46Å; P68-P102 HydrophobicContact CB-CB 4.43Å; P68-P102 HydrophobicContact CB-CG 4.28Å; P68-Y144 HydrophobicContact CG-CD2 4.27Å; P68-Y144 HydrophobicContact CG-CE2 3.59Å
69N96.3Very high96.6Very high125 Ų12540.6 Ų40.667%0.66821%0.209SC*.THydrogen-bonded Turntrans-74.32.9178.273.1-1.3000114.4Y67 T71Y67-N69 WeakPolarHBondContact CB-OD1 3.46Å; Y67-N69 PolarHBondContact O-N 3.46Å; N69-T71 VanDerWaalsContact OD1-CB 3.25Å; N69-T71 WeakPolarHBondContact OD1-CB 3.32Å; N69-T71 PolarHBondContact OD1-N 2.86Å; N69-T71 PolarHBondContact OD1-OG1 3.01Å
70G94.9Very high96.7Very high35 Ų3540.8 Ų40.836%0.36121%0.21SC..SBendtrans92.8-6.7179.900000115.4Y67 P68Y67-G70 PolarHBondContact O-N 3.23Å; P68-G70 PolarHBondContact O-N 2.79Å; P68-G70 VanDerWaalsContact O-N 3.16Å
71T97Very high96.7Very high68 Ų6839.2 Ų39.242%0.41720%0.204SC..  trans-63.9134.7174.8-55.80000110.6A66 Y67 N69A66-T71 CarbonylContact C-O 3.56Å; Y67-T71 HydrophobicContact CD2-CG2 3.96Å; Y67-T71 HydrophobicContact CE2-CG2 4.22Å; Y67-T71 PolarHBondContact N-O 2.84Å; N69-T71 VanDerWaalsContact OD1-CB 3.25Å; N69-T71 WeakPolarHBondContact OD1-CB 3.32Å; N69-T71 PolarHBondContact OD1-N 2.86Å; N69-T71 PolarHBondContact OD1-OG1 3.01Å
72V95.7Very high96.7Very high66 Ų6639.2 Ų39.240%0.420%0.204SC..BIsolated β-bridgetrans-115.9124.3175.2179.90000109.7D65 A66 W74D65-V72 CarbonylContact O-C 3.58Å; D65-V72 WeakPolarHBondContact O-CA 3.24Å; A66-V72 HydrophobicContact CB-CG2 4.39Å; V72-W74 HydrophobicContact CG1-CD2 4.02Å; V72-W74 HydrophobicContact CG1-CG 4.48Å; V72-W74 HydrophobicContact CG1-CH2 4.33Å; V72-W74 HydrophobicContact CG1-CZ2 3.8Å
73S93.7Very high96.7Very high29 Ų2939.2 Ų39.220%0.20320%0.204CC..  trans-103.793.7178.6-174.60000111.2D65 K75 A76D65-S73 PolarHBondContact O-N 2.99Å; S73-K75 PolarHBondContact O-N 2.94Å; S73-A76 PolarHBondContact O-N 2.69Å; S73-A76 WeakPolarHBondContact OG-CB 3.18Å
74W90.7Very high96.7Very high199 Ų19939.6 Ų39.675%0.75421%0.207SC*.THydrogen-bonded Turntrans-67.5-19176.3-59.8107.2000113.7V72V72-W74 HydrophobicContact CG1-CD2 4.02Å; V72-W74 HydrophobicContact CG1-CG 4.48Å; V72-W74 HydrophobicContact CG1-CH2 4.33Å; V72-W74 HydrophobicContact CG1-CZ2 3.8Å
75K92.1Very high96.6Very high175 Ų17539.8 Ų39.876%0.76121%0.207SC*.THydrogen-bonded Turntrans-81.7-21.7177.7-68.7-177.3-179.9176.90113.1S73 K194S73-K75 PolarHBondContact O-N 2.94Å; K75-K194 PolarHBondContact O-NZ 3.31Å
76A95.6Very high96.4Very high9 Ų941.8 Ų41.87%0.07422%0.223CC..SBendtrans-79.6157.7179.600000112.2S73 R283S73-A76 PolarHBondContact O-N 2.69Å; S73-A76 WeakPolarHBondContact OG-CB 3.18Å; A76-R283 PolarHBondContact O-NH2 3.16Å
77A97.5Very high96Very high2 Ų247.8 Ų47.82%0.01725%0.253CS..  trans-50.7144.8166.500000111.6D65 S79 N139 S140 G284D65-A77 WeakPolarHBondContact CB-O 3.48Å; A77-S79 PolarHBondContact O-N 3.18Å; A77-N139 HydrophobicContact CB-CB 4.19Å; A77-N139 WeakPolarHBondContact CB-O 3.37Å; A77-S140 PolarHBondContact N-O 3.5Å; A77-G284 CarbonylContact C-O 3.58Å; A77-G284 WeakPolarHBondContact CA-O 3.17Å; A77-G284 WeakPolarHBondContact CB-O 3.5Å
78H97Very high95.8Very high11 Ų1154.5 Ų54.55%0.05128%0.278CS..SBendtrans-73.682.3161.2-167.246.3000106.6D65 K80 K258 D273 I274 Q280 R283 G284D65-H78 IonicContact OD1-ND1 3.78Å; D65-H78 PolarHBondContact OD1-ND1 3.23Å; D65-H78 IonicContact OD2-CE1 2.62Å; D65-H78 IonicContact OD2-CG 3.52Å; D65-H78 IonicContact OD2-ND1 2.79Å; D65-H78 PolarHBondContact OD2-ND1 3.01Å; H78-K80 PolarHBondContact CE1-NZ 3.04Å; H78-K258 VanDerWaalsContact NE2-CE 3.27Å; H78-K258 WeakPolarHBondContact NE2-CE 3.5Å; H78-D273 PolarHBondContact CD2-O 3.47Å; H78-D273 WeakPolarHBondContact O-CB 3.45Å; H78-I274 HydrophobicContact CB-CD1 4.1Å; H78-Q280 PolarHBondContact CD2-OE1 2.67Å; H78-R283 HydrophobicContact CB-CB 4.49Å; H78-R283 VanDerWaalsContact CB-NH1 3.32Å; H78-R283 VanDerWaalsContact CG-NH1 3.34Å; H78-R283 PolarHBondContact ND1-NH1 3.2Å; H78-R283 VanDerWaalsContact ND1-NH1 3.18Å; H78-G284 PolarHBondContact N-O 3.18Å
79S97.8Very high95.7Very high0 Ų056.2 Ų56.20%029%0.285CS..  trans-152.2142.6-176.4-173.90000109.4Y63 N64 A77 D273Y63-S79 WeakPolarHBondContact CE2-OG 3.47Å; N64-S79 WeakPolarHBondContact CA-O 3.33Å; A77-S79 PolarHBondContact O-N 3.18Å; S79-D273 WeakPolarHBondContact CB-OD2 2.86Å; S79-D273 PolarHBondContact OG-OD1 3.21Å; S79-D273 PolarHBondContact OG-OD2 3.13Å
80K98.6Very high95.8Very high5 Ų550.8 Ų50.82%0.02226%0.258CS..  trans-143.7138.5-176.1-37.2173.8171.146.80111.2Y63 N64 D65 H78 H95 S96 V97Y63-K80 CarbonylContact O-C 3.52Å; Y63-K80 VanDerWaalsContact O-CA 3.24Å; Y63-K80 WeakPolarHBondContact O-CA 3.45Å; N64-K80 HydrophobicContact CB-CB 4.37Å; N64-K80 HydrophobicContact CB-CG 4.34Å; N64-K80 VanDerWaalsContact OD1-CD 3.28Å; N64-K80 WeakPolarHBondContact OD1-CD 3.16Å; N64-K80 WeakPolarHBondContact OD1-CE 3.41Å; N64-K80 WeakPolarHBondContact OD1-CG 3.45Å; D65-K80 WeakPolarHBondContact OD1-CE 3.34Å; D65-K80 IonicContact OD1-NZ 2.73Å; D65-K80 PolarHBondContact OD1-NZ 3.08Å; H78-K80 PolarHBondContact CE1-NZ 3.04Å; K80-H95 WeakPolarHBondContact CB-CE1 3.39Å; K80-H95 WeakPolarHBondContact CB-O 3.46Å; K80-H95 PolarHBondContact O-N 2.9Å; K80-S96 WeakPolarHBondContact CE-O 3.5Å; K80-V97 VanDerWaalsContact CD-O 3.23Å; K80-V97 WeakPolarHBondContact CD-O 3.39Å
81G98.7Very high96Very high0 Ų050.3 Ų50.30%025%0.247CC..EExtended strand (participates in β ladder)trans174.1177.2-179.800000115Y63 L93 H95Y63-G81 WeakPolarHBondContact CD1-O 3.44Å; Y63-G81 VanDerWaalsContact CZ-CA 3.44Å; Y63-G81 PolarHBondContact N-O 2.94Å; Y63-G81 PolarHBondContact O-N 3.38Å; G81-L93 CarbonylContact C-O 3.54Å; G81-L93 WeakPolarHBondContact CA-O 3.45Å; G81-H95 PolarHBondContact N-NE2 2.85Å
82V98.7Very high96Very high0 Ų047.2 Ų47.20%023%0.227CC..EExtended strand (participates in β ladder)trans-131.7128.8177.4-175.70000108.1L46 L49 M61 M62 F91 W92 L93 P101L46-V82 HydrophobicContact CD2-CB 4.46Å; L46-V82 HydrophobicContact CD2-CG1 4.24Å; L46-V82 HydrophobicContact CD2-CG2 4.24Å; L49-V82 HydrophobicContact CD2-CG1 3.57Å; M61-V82 CarbonylContact O-C 3.58Å; M61-V82 WeakPolarHBondContact O-CA 3.49Å; M62-V82 HydrophobicContact CE-CG1 4.48Å; M62-V82 HydrophobicContact CG-CG1 4.24Å; M62-V82 HydrophobicContact CG-CG2 4.3Å; V82-F91 HydrophobicContact CB-CE2 4.2Å; V82-F91 HydrophobicContact CG1-CE2 3.94Å; V82-F91 HydrophobicContact CG1-CZ 4.21Å; V82-W92 WeakPolarHBondContact O-CA 3.48Å; V82-L93 HydrophobicContact CB-CB 4.16Å; V82-L93 HydrophobicContact CG2-CD2 4.26Å; V82-L93 PolarHBondContact N-O 2.96Å; V82-L93 PolarHBondContact O-N 3.11Å; V82-P101 HydrophobicContact CG2-CG 3.51Å
83L98.4Very high96.2Very high0 Ų044.2 Ų44.20%021%0.209CC..EExtended strand (participates in β ladder)trans-107.8136.3162.1-65.2173.2000108.4F59 Y60 M61 F85 F91 W92 L129 I132 L136F59-L83 HydrophobicContact CE1-CB 3.86Å; F59-L83 HydrophobicContact CE1-CD1 4.35Å; F59-L83 HydrophobicContact CZ-CB 4.46Å; F59-L83 HydrophobicContact CZ-CD1 4.4Å; Y60-L83 CarbonylContact C-O 3.53Å; Y60-L83 WeakPolarHBondContact CA-O 3.32Å; Y60-L83 WeakPolarHBondContact CB-O 3.19Å; M61-L83 HydrophobicContact CB-CB 4.35Å; M61-L83 PolarHBondContact N-O 2.86Å; M61-L83 PolarHBondContact O-N 3.32Å; L83-F85 HydrophobicContact CB-CE2 4.48Å; L83-F85 HydrophobicContact CD2-CE2 4.15Å; L83-F91 WeakPolarHBondContact CA-O 3.18Å; L83-W92 HydrophobicContact CD2-CB 3.54Å; L83-W92 HydrophobicContact CD2-CD2 3.97Å; L83-W92 HydrophobicContact CD2-CG 3.32Å; L83-W92 HydrophobicContact CG-CG 4.45Å; L83-L129 HydrophobicContact CD1-CD1 4.25Å; L83-I132 HydrophobicContact CD1-CG2 3.77Å; L83-I132 HydrophobicContact CD2-CD1 4.48Å; L83-I132 HydrophobicContact CD2-CG2 3.68Å; L83-I132 HydrophobicContact CG-CG2 4.38Å; L83-L136 HydrophobicContact CD1-CD1 3.42Å; L83-L136 VanDerWaalsContact CD1-CD1 3.42Å; L83-L136 HydrophobicContact CG-CD1 4.41Å
84A98.1Very high96.4Very high8 Ų843 Ų437%0.06620%0.2CC..EExtended strand (participates in β ladder)trans-145.2130.5169.300000109.2L49 F59 G90 F91L49-A84 HydrophobicContact CB-CB 4.25Å; L49-A84 HydrophobicContact CD1-CB 3.83Å; L49-A84 HydrophobicContact CD2-CB 4.08Å; L49-A84 HydrophobicContact CG-CB 4.26Å; F59-A84 CarbonylContact O-C 3.51Å; F59-A84 VanDerWaalsContact O-CA 3.3Å; F59-A84 WeakPolarHBondContact O-CA 3.46Å; A84-G90 CarbonylContact O-C 3.59Å; A84-G90 WeakPolarHBondContact O-CA 3.07Å; A84-F91 HydrophobicContact CB-CD1 4.19Å; A84-F91 HydrophobicContact CB-CE1 3.61Å; A84-F91 HydrophobicContact CB-CE2 4.43Å; A84-F91 HydrophobicContact CB-CZ 3.74Å; A84-F91 PolarHBondContact N-O 2.72Å; A84-F91 PolarHBondContact O-N 3.35Å
85F97.5Very high96.8Very high4 Ų433.7 Ų33.72%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-137.5136.7-179.4-74-105.2000110.8F59 L83 L89 G90 F124 L126 L129 I132F59-F85 HydrophobicContact CB-CB 4.38Å; F59-F85 HydrophobicContact CD1-CB 3.95Å; F59-F85 AromaticContact CD1-CD2 3.8Å; F59-F85 HydrophobicContact CD1-CD2 3.8Å; F59-F85 HydrophobicContact CD1-CG 4.26Å; F59-F85 AromaticContact CE1-CD2 3.98Å; F59-F85 HydrophobicContact CE1-CD2 3.98Å; F59-F85 PolarHBondContact N-O 3.02Å; F59-F85 VanDerWaalsContact N-O 3.12Å; F59-F85 PolarHBondContact O-N 3.41Å; L83-F85 HydrophobicContact CB-CE2 4.48Å; L83-F85 HydrophobicContact CD2-CE2 4.15Å; F85-L89 WeakPolarHBondContact CA-O 3.43Å; F85-G90 VanDerWaalsContact CD1-CA 3.5Å; F85-F124 HydrophobicContact CE1-CB 3.93Å; F85-F124 HydrophobicContact CZ-CB 3.92Å; F85-L126 HydrophobicContact CB-CD1 4.05Å; F85-L126 HydrophobicContact CD1-CD1 3.92Å; F85-L126 HydrophobicContact CG-CD1 4.25Å; F85-L129 HydrophobicContact CD2-CD1 4.02Å; F85-L129 HydrophobicContact CD2-CD2 4.22Å; F85-L129 HydrophobicContact CE1-CB 4.29Å; F85-L129 HydrophobicContact CE2-CD1 3.77Å; F85-L129 HydrophobicContact CG-CD2 4.22Å; F85-L129 HydrophobicContact CZ-CB 4.31Å; F85-L129 HydrophobicContact CZ-CD1 4.23Å; F85-I132 HydrophobicContact CZ-CD1 4.12Å
86S92.3Very high97.1Very high55 Ų5525.4 Ų25.439%0.38513%0.129SC..  trans-79.2-171.7157.590.40000110.1R88 L89S86-R88 PolarHBondContact O-N 2.73Å; S86-R88 PolarHBondContact OG-N 3.22Å; S86-L89 PolarHBondContact N-O 3.38Å; S86-L89 PolarHBondContact OG-N 2.63Å; S86-L89 PolarHBondContact OG-O 3.38Å
87D90.3Very high97.2Very high140 Ų14025 Ų2575%0.74913%0.125SC*.SBendtrans-60.7-13.8168.164.9-15.7000115.7L126D87-L126 WeakPolarHBondContact O-CD2 3.34Å
88R92.9Very high97.2Very high183 Ų18326.4 Ų26.469%0.69114%0.135SC*.SBendtrans-127.8-55.4-173.7-172.9-172.3171.1159.6-1.1113.4S86 L126S86-R88 PolarHBondContact O-N 2.73Å; S86-R88 PolarHBondContact OG-N 3.22Å; R88-L126 PolarHBondContact O-N 3.32Å
89L96.7Very high97.3Very high66 Ų6629.7 Ų29.735%0.34615%0.149SC..EExtended strand (participates in β ladder)trans-124.1159.4-174-68.8176.8000110.1F85 S86 F124 N125 A182F85-L89 WeakPolarHBondContact CA-O 3.43Å; S86-L89 PolarHBondContact N-O 3.38Å; S86-L89 PolarHBondContact OG-N 2.63Å; S86-L89 PolarHBondContact OG-O 3.38Å; L89-F124 WeakPolarHBondContact CA-O 3.27Å; L89-N125 VanDerWaalsContact CD2-OD1 3.29Å; L89-N125 WeakPolarHBondContact CD2-OD1 3.4Å; L89-A182 HydrophobicContact CD2-CB 3.84Å
90G97.5Very high97.3Very high11 Ų1129.7 Ų29.711%0.11315%0.149CC..EExtended strand (participates in β ladder)trans-159.6-175.7170.500000111.2A84 F85 T123 F124A84-G90 CarbonylContact O-C 3.59Å; A84-G90 WeakPolarHBondContact O-CA 3.07Å; F85-G90 VanDerWaalsContact CD1-CA 3.5Å; G90-T123 CarbonylContact O-C 3.6Å; G90-T123 VanDerWaalsContact O-CA 3.31Å; G90-T123 WeakPolarHBondContact O-CA 3.34Å; G90-T123 WeakPolarHBondContact O-CG2 3.44Å; G90-F124 PolarHBondContact N-O 3.42Å; G90-F124 PolarHBondContact O-N 3.29Å
91F98.4Very high97.3Very high26 Ų2629.5 Ų29.511%0.11415%0.148CC..EExtended strand (participates in β ladder)trans-131.1156.9174.368.4-96.2000111.6T45 L46 L49 V82 L83 A84 L93 I122T45-F91 HydrophobicContact CG2-CD2 4.4Å; T45-F91 HydrophobicContact CG2-CE2 4.28Å; T45-F91 HydrophobicContact CG2-CZ 4.41Å; L46-F91 HydrophobicContact CD2-CE2 4.25Å; L46-F91 HydrophobicContact CD2-CZ 4.09Å; L49-F91 HydrophobicContact CB-CZ 4.44Å; L49-F91 HydrophobicContact CD2-CZ 4.4Å; V82-F91 HydrophobicContact CB-CE2 4.2Å; V82-F91 HydrophobicContact CG1-CE2 3.94Å; V82-F91 HydrophobicContact CG1-CZ 4.21Å; L83-F91 WeakPolarHBondContact CA-O 3.18Å; A84-F91 HydrophobicContact CB-CD1 4.19Å; A84-F91 HydrophobicContact CB-CE1 3.61Å; A84-F91 HydrophobicContact CB-CE2 4.43Å; A84-F91 HydrophobicContact CB-CZ 3.74Å; A84-F91 PolarHBondContact N-O 2.72Å; A84-F91 PolarHBondContact O-N 3.35Å; F91-L93 HydrophobicContact CD2-CB 4.16Å; F91-L93 HydrophobicContact CE2-CB 4.13Å; F91-I122 CarbonylContact C-O 3.43Å; F91-I122 VanDerWaalsContact CA-O 3.26Å; F91-I122 WeakPolarHBondContact CA-O 3.23Å
92W98.7Very high97.3Very high3 Ų330.6 Ų30.61%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-120.4114.6164.6-170.49.2000108.8Y63 V82 L83 I94 C121 I122 F124 I132 L136 I179 H189Y63-W92 AromaticContact CZ-NE1 3.86Å; Y63-W92 PolarHBondContact OH-NE1 3.1Å; V82-W92 WeakPolarHBondContact O-CA 3.48Å; L83-W92 HydrophobicContact CD2-CB 3.54Å; L83-W92 HydrophobicContact CD2-CD2 3.97Å; L83-W92 HydrophobicContact CD2-CG 3.32Å; L83-W92 HydrophobicContact CG-CG 4.45Å; W92-I94 HydrophobicContact CD2-CD1 3.9Å; W92-I94 HydrophobicContact CD2-CG1 3.95Å; W92-I94 HydrophobicContact CE3-CD1 4.15Å; W92-I94 HydrophobicContact CG-CD1 4.42Å; W92-I94 HydrophobicContact CG-CG1 4.12Å; W92-I94 HydrophobicContact CH2-CD1 4.22Å; W92-I94 HydrophobicContact CZ2-CD1 3.99Å; W92-I94 HydrophobicContact CZ2-CG1 4.02Å; W92-I94 HydrophobicContact CZ3-CD1 4.3Å; W92-C121 WeakPolarHBondContact O-CA 3.48Å; W92-I122 PolarHBondContact N-O 3.02Å; W92-I122 PolarHBondContact O-N 3.22Å; W92-F124 HydrophobicContact CB-CD2 4.05Å; W92-F124 HydrophobicContact CB-CE2 3.77Å; W92-F124 HydrophobicContact CE3-CE2 4.14Å; W92-I132 HydrophobicContact CD2-CG2 4.07Å; W92-I132 HydrophobicContact CE3-CD1 4.01Å; W92-I132 HydrophobicContact CE3-CG1 3.88Å; W92-I132 HydrophobicContact CE3-CG2 3.95Å; W92-I132 HydrophobicContact CH2-CG2 4.39Å; W92-I132 HydrophobicContact CZ2-CG2 4.48Å; W92-I132 HydrophobicContact CZ3-CG1 4.09Å; W92-I132 HydrophobicContact CZ3-CG2 4.11Å; W92-L136 HydrophobicContact CZ2-CD2 3.95Å; W92-I179 HydrophobicContact CE3-CD1 4.22Å; W92-I179 HydrophobicContact CZ3-CD1 3.86Å; W92-H189 AromaticContact CH2-CD2 3.93Å; W92-H189 AromaticContact CH2-NE2 3.8Å
93L98.8Very high97.1Very high3 Ų333 Ų332%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-96.7116.1171.4178.766.8000108.5L42 L46 G81 V82 F91 F100 L119 L120 C121L42-L93 HydrophobicContact CD1-CD1 4.39Å; L42-L93 HydrophobicContact CD1-CD2 3.88Å; L46-L93 HydrophobicContact CD2-CD2 4.15Å; G81-L93 CarbonylContact C-O 3.54Å; G81-L93 WeakPolarHBondContact CA-O 3.45Å; V82-L93 HydrophobicContact CB-CB 4.16Å; V82-L93 HydrophobicContact CG2-CD2 4.26Å; V82-L93 PolarHBondContact N-O 2.96Å; V82-L93 PolarHBondContact O-N 3.11Å; F91-L93 HydrophobicContact CD2-CB 4.16Å; F91-L93 HydrophobicContact CE2-CB 4.13Å; L93-F100 HydrophobicContact CD2-CE1 4.29Å; L93-L119 HydrophobicContact CD1-CB 4.3Å; L93-L119 HydrophobicContact CD1-CD2 4.31Å; L93-L120 WeakPolarHBondContact CA-O 3.49Å; L93-C121 HydrophobicContact CD1-CB 3.99Å
94I98.7Very high96.8Very high4 Ų438.3 Ų38.32%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-106.4130.8174.9-61.8160.6000107.4W92 L119 L120 V288W92-I94 HydrophobicContact CD2-CD1 3.9Å; W92-I94 HydrophobicContact CD2-CG1 3.95Å; W92-I94 HydrophobicContact CE3-CD1 4.15Å; W92-I94 HydrophobicContact CG-CD1 4.42Å; W92-I94 HydrophobicContact CG-CG1 4.12Å; W92-I94 HydrophobicContact CH2-CD1 4.22Å; W92-I94 HydrophobicContact CZ2-CD1 3.99Å; W92-I94 HydrophobicContact CZ2-CG1 4.02Å; W92-I94 HydrophobicContact CZ3-CD1 4.3Å; I94-L119 CarbonylContact O-C 3.42Å; I94-L119 WeakPolarHBondContact O-CA 3.24Å; I94-L120 PolarHBondContact N-O 3.19Å; I94-L120 PolarHBondContact O-N 3.03Å; I94-V288 HydrophobicContact CD1-CB 4.33Å; I94-V288 HydrophobicContact CD1-CG2 3.29Å
95H98.6Very high96.7Very high2 Ų242.1 Ų42.11%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-149.6165.7-176.666.187.3000113.9K80 G81 V97 F100 T118 L119K80-H95 WeakPolarHBondContact CB-CE1 3.39Å; K80-H95 WeakPolarHBondContact CB-O 3.46Å; K80-H95 PolarHBondContact O-N 2.9Å; G81-H95 PolarHBondContact N-NE2 2.85Å; H95-V97 HydrophobicContact CB-CG2 4.42Å; H95-V97 PolarHBondContact CE1-O 3.05Å; H95-V97 VanDerWaalsContact CE1-O 3.24Å; H95-V97 PolarHBondContact ND1-N 3.37Å; H95-V97 VanDerWaalsContact ND1-N 3.19Å; H95-V97 PolarHBondContact ND1-O 2.89Å; H95-F100 AromaticContact CE1-CD1 3.63Å; H95-F100 PolarHBondContact CE1-O 2.77Å; H95-F100 AromaticContact ND1-CD1 3.95Å; H95-F100 AromaticContact NE2-CD1 3.77Å; H95-T118 WeakPolarHBondContact CA-O 2.92Å; H95-L119 HydrophobicContact CB-CB 4.32Å; H95-L119 HydrophobicContact CB-CD2 3.87Å; H95-L119 HydrophobicContact CB-CG 3.71Å
96S98.2Very high96.7Very high1 Ų143.2 Ų43.21%0.00723%0.231CC..  trans-100-6.2175.757.90000114.5K80 P98 Q117 T118 H256K80-S96 WeakPolarHBondContact CE-O 3.5Å; S96-P98 VanDerWaalsContact O-CD 3.27Å; S96-P98 WeakPolarHBondContact O-CD 3.45Å; S96-Q117 PolarHBondContact O-OE1 2.78Å; S96-Q117 VanDerWaalsContact O-OE1 3.06Å; S96-Q117 WeakPolarHBondContact OG-CA 3.1Å; S96-Q117 WeakPolarHBondContact OG-CB 3.43Å; S96-Q117 PolarHBondContact OG-OE1 2.84Å; S96-T118 PolarHBondContact N-O 3.49Å; S96-T118 VanDerWaalsContact N-O 3.11Å; S96-T118 PolarHBondContact OG-N 3.19Å; S96-T118 PolarHBondContact OG-O 3.48Å; S96-H256 WeakPolarHBondContact CB-O 2.9Å; S96-H256 PolarHBondContact O-CE1 3.42Å; S96-H256 PolarHBondContact O-ND1 2.89Å
97V98.2Very high97Very high0 Ų044.7 Ų44.70%023%0.234CC..  trans-69.7113.2-172.3-166.30000113.6N64 K80 H95 F100 Y108 P109 Q117 L119N64-V97 PolarHBondContact ND2-O 3.31Å; K80-V97 VanDerWaalsContact CD-O 3.23Å; K80-V97 WeakPolarHBondContact CD-O 3.39Å; H95-V97 HydrophobicContact CB-CG2 4.42Å; H95-V97 PolarHBondContact CE1-O 3.05Å; H95-V97 VanDerWaalsContact CE1-O 3.24Å; H95-V97 PolarHBondContact ND1-N 3.37Å; H95-V97 VanDerWaalsContact ND1-N 3.19Å; H95-V97 PolarHBondContact ND1-O 2.89Å; V97-F100 HydrophobicContact CB-CB 3.93Å; V97-F100 HydrophobicContact CB-CD1 4.18Å; V97-F100 HydrophobicContact CB-CG 4.23Å; V97-F100 HydrophobicContact CG1-CB 3.63Å; V97-F100 HydrophobicContact CG1-CG 4.08Å; V97-Y108 HydrophobicContact CB-CE2 4.49Å; V97-Y108 HydrophobicContact CG1-CE2 3.89Å; V97-Y108 HydrophobicContact CG2-CE2 3.86Å; V97-P109 HydrophobicContact CG1-CG 3.99Å; V97-Q117 HydrophobicContact CG2-CB 3.98Å; V97-Q117 HydrophobicContact CG2-CG 3.99Å; V97-L119 HydrophobicContact CG2-CD1 4.37Å; V97-L119 HydrophobicContact CG2-CD2 4.49Å
98P97.6Very high97.3Very high33 Ų3338.5 Ų38.521%0.21420%0.2CC..THydrogen-bonded Turntrans-67.1152.2172.2-16.732000112A66 S96 F100 P109A66-P98 HydrophobicContact CB-CB 4.05Å; S96-P98 VanDerWaalsContact O-CD 3.27Å; S96-P98 WeakPolarHBondContact O-CD 3.45Å; P98-F100 VanDerWaalsContact C-N 3.26Å; P98-F100 PolarHBondContact O-N 2.94Å; P98-P109 WeakPolarHBondContact O-CG 3.34Å
99K98.1Very high97.6Very high80 Ų8030.5 Ų30.535%0.34817%0.173SC..THydrogen-bonded Turntrans60.231.4177.2-51.4-175.5-179.9-176.30114.2A66 P109A66-K99 WeakPolarHBondContact O-CA 3.41Å; A66-K99 PolarHBondContact O-N 3.32Å; K99-P109 HydrophobicContact CB-CB 4.31Å; K99-P109 HydrophobicContact CB-CG 4.42Å
100F98.6Very high97.6Very high0 Ų033.2 Ų33.20%019%0.187CC..  trans-140.2149.7-175.3175.6-94.8000111.2L42 L46 N64 L93 H95 V97 P98 F106 D107 Y108 P109 L119 Y144L42-F100 HydrophobicContact CD1-CE1 4.43Å; L42-F100 HydrophobicContact CD1-CZ 4.06Å; L42-F100 HydrophobicContact CD2-CE1 4.29Å; L42-F100 HydrophobicContact CD2-CE2 4.2Å; L42-F100 HydrophobicContact CD2-CZ 3.62Å; L42-F100 HydrophobicContact CG-CZ 3.99Å; L46-F100 HydrophobicContact CD1-CE1 4.41Å; L46-F100 HydrophobicContact CD1-CE2 4.35Å; L46-F100 HydrophobicContact CD1-CZ 3.65Å; N64-F100 PolarHBondContact ND2-O 2.89Å; L93-F100 HydrophobicContact CD2-CE1 4.29Å; H95-F100 AromaticContact CE1-CD1 3.63Å; H95-F100 PolarHBondContact CE1-O 2.77Å; H95-F100 AromaticContact ND1-CD1 3.95Å; H95-F100 AromaticContact NE2-CD1 3.77Å; V97-F100 HydrophobicContact CB-CB 3.93Å; V97-F100 HydrophobicContact CB-CD1 4.18Å; V97-F100 HydrophobicContact CB-CG 4.23Å; V97-F100 HydrophobicContact CG1-CB 3.63Å; V97-F100 HydrophobicContact CG1-CG 4.08Å; P98-F100 VanDerWaalsContact C-N 3.26Å; P98-F100 PolarHBondContact O-N 2.94Å; F100-F106 HydrophobicContact CE2-CE2 4.05Å; F100-F106 HydrophobicContact CZ-CE2 4.29Å; F100-D107 WeakPolarHBondContact CD2-O 3.34Å; F100-Y108 HydrophobicContact CD2-CD2 4.07Å; F100-Y108 AromaticContact CE2-CD2 3.98Å; F100-Y108 HydrophobicContact CE2-CD2 3.98Å; F100-P109 HydrophobicContact CB-CG 4.02Å; F100-L119 HydrophobicContact CE1-CD2 4.47Å; F100-Y144 PolarHBondContact O-OH 2.87Å
101P98.3Very high97.5Very high0 Ų036 Ų360%020%0.202CC..  cis-85.7156.1-18.332.2-35.1000113L46 M62 P68 V82 Y144L46-P101 HydrophobicContact CD1-CB 4.04Å; L46-P101 HydrophobicContact CD1-CG 4.31Å; M62-P101 HydrophobicContact CE-CG 4.07Å; M62-P101 HydrophobicContact SD-CG 4.03Å; P68-P101 WeakPolarHBondContact CG-O 3.46Å; V82-P101 HydrophobicContact CG2-CG 3.51Å; P101-Y144 WeakPolarHBondContact CD-OH 3.39Å; P101-Y144 WeakPolarHBondContact O-CE2 3.18Å; P101-Y144 PolarHBondContact O-OH 3.34Å
102P97.8Very high97.4Very high24 Ų2434.8 Ų34.816%0.15620%0.197CC..  trans-60.5150.1167.3-23.837.1000112.4Y50 P68 T104 D107Y50-P102 WeakPolarHBondContact CE1-O 3.19Å; Y50-P102 PolarHBondContact OH-O 3.42Å; P68-P102 HydrophobicContact CB-CB 4.43Å; P68-P102 HydrophobicContact CB-CG 4.28Å; P102-T104 VanDerWaalsContact C-N 3.32Å; P102-T104 PolarHBondContact O-N 2.89Å; P102-D107 VanDerWaalsContact CD-O 3.31Å; P102-D107 WeakPolarHBondContact CD-O 3.39Å; P102-D107 HydrophobicContact CG-CB 4.16Å
103P95.2Very high97.4Very high51 Ų5135.7 Ų35.733%0.33120%0.201SC..SBendtrans-87.110.8-171.536.4-37.8000114.8M62 A145M62-P103 HydrophobicContact SD-CB 4.18Å; P103-A145 HydrophobicContact CB-CB 3.63Å
104T92.8Very high97.3Very high111 Ų11137.5 Ų37.568%0.68121%0.212SC*.SBendtrans-129.3-33.9-174.751.10000113.7P102P102-T104 VanDerWaalsContact C-N 3.32Å; P102-T104 PolarHBondContact O-N 2.89Å
105T95.6Very high97.2Very high87 Ų8739.4 Ų39.453%0.53422%0.22SC..SBendtrans-152.5158.1179.9-172.30000110Y50 D107Y50-T105 PolarHBondContact OH-O 3.03Å; T105-D107 PolarHBondContact O-N 3.42Å
106F97.9Very high97.2Very high28 Ų2839.3 Ų39.312%0.12322%0.22CC..  trans-67.8118.7175.4179.9-111.2000110.1P38 L42 L46 Y50 F100P38-F106 HydrophobicContact CB-CD1 4.08Å; L42-F106 HydrophobicContact CB-CE2 4.38Å; L42-F106 HydrophobicContact CB-CZ 4.35Å; L42-F106 HydrophobicContact CD2-CE2 4.13Å; L42-F106 HydrophobicContact CD2-CZ 4.34Å; L42-F106 HydrophobicContact CG-CE2 3.82Å; L42-F106 HydrophobicContact CG-CZ 4.2Å; L46-F106 HydrophobicContact CD1-CD2 3.87Å; L46-F106 HydrophobicContact CD1-CE2 4.16Å; Y50-F106 HydrophobicContact CD2-CB 4.38Å; Y50-F106 HydrophobicContact CE2-CB 3.77Å; Y50-F106 VanDerWaalsContact CE2-N 3.33Å; F100-F106 HydrophobicContact CE2-CE2 4.05Å; F100-F106 HydrophobicContact CZ-CE2 4.29Å
107D97.4Very high97.1Very high86 Ų8640.5 Ų40.546%0.4623%0.225SC..  trans-149.2141167.2175.835.5000108.9F100 P102 T105F100-D107 WeakPolarHBondContact CD2-O 3.34Å; P102-D107 VanDerWaalsContact CD-O 3.31Å; P102-D107 WeakPolarHBondContact CD-O 3.39Å; P102-D107 HydrophobicContact CG-CB 4.16Å; T105-D107 PolarHBondContact O-N 3.42Å
108Y98.2Very high97.1Very high9 Ų941.1 Ų41.14%0.03523%0.229CC..  trans-109.3117.2179.5-170.5-84.8000109.5I35 L42 V97 F100 N110 G112 K113I35-Y108 HydrophobicContact CG1-CD2 3.9Å; I35-Y108 HydrophobicContact CG1-CE1 4.3Å; I35-Y108 HydrophobicContact CG1-CE2 3.65Å; I35-Y108 HydrophobicContact CG1-CG 4.33Å; I35-Y108 HydrophobicContact CG2-CD1 3.78Å; I35-Y108 HydrophobicContact CG2-CE1 3.81Å; I35-Y108 HydrophobicContact CG2-CG 4.15Å; L42-Y108 HydrophobicContact CD2-CD2 3.94Å; L42-Y108 HydrophobicContact CD2-CE2 4.19Å; V97-Y108 HydrophobicContact CB-CE2 4.49Å; V97-Y108 HydrophobicContact CG1-CE2 3.89Å; V97-Y108 HydrophobicContact CG2-CE2 3.86Å; F100-Y108 HydrophobicContact CD2-CD2 4.07Å; F100-Y108 AromaticContact CE2-CD2 3.98Å; F100-Y108 HydrophobicContact CE2-CD2 3.98Å; Y108-N110 PolarHBondContact O-N 2.74Å; Y108-G112 VanDerWaalsContact CE1-C 3.48Å; Y108-G112 PolarHBondContact OH-O 3.39Å; Y108-G112 VanDerWaalsContact OH-O 3.05Å; Y108-K113 HydrophobicContact CD1-CG 3.88Å; Y108-K113 HydrophobicContact CE1-CG 3.87Å
109P97.7Very high97.1Very high16 Ų1642.2 Ų42.210%0.10423%0.233CC..  trans-65139.2-167.327.1-36.1000111.1V97 P98 K99 F100 T111 G112V97-P109 HydrophobicContact CG1-CG 3.99Å; P98-P109 WeakPolarHBondContact O-CG 3.34Å; K99-P109 HydrophobicContact CB-CB 4.31Å; K99-P109 HydrophobicContact CB-CG 4.42Å; F100-P109 HydrophobicContact CB-CG 4.02Å; P109-T111 PolarHBondContact O-N 3.24Å; P109-T111 VanDerWaalsContact O-N 3.09Å; P109-G112 WeakPolarHBondContact O-CA 3.44Å; P109-G112 PolarHBondContact O-N 3.04Å
110N97.1Very high97.1Very high122 Ų12239.6 Ų39.665%0.65222%0.223SC*.G310 helixtrans-56.3-29.6175.8-75.7-37.5000112.8Y108 G112 K113Y108-N110 PolarHBondContact O-N 2.74Å; N110-G112 VanDerWaalsContact C-N 3.27Å; N110-G112 PolarHBondContact O-N 3.11Å; N110-K113 WeakPolarHBondContact O-CB 3.41Å; N110-K113 PolarHBondContact O-N 3.22Å; N110-K113 PolarHBondContact OD1-NZ 2.77Å
111T95.9Very high97.1Very high69 Ų6942.3 Ų42.342%0.42324%0.241SC..G310 helixtrans-65.3-30173.152.40000113P109 K113P109-T111 PolarHBondContact O-N 3.24Å; P109-T111 VanDerWaalsContact O-N 3.09Å; T111-K113 PolarHBondContact O-N 3.39Å
112G96.7Very high97.2Very high1 Ų142.7 Ų42.71%0.0124%0.243CC..G310 helixtrans-74.7-12.7176.600000113.8Y108 P109 N110Y108-G112 VanDerWaalsContact CE1-C 3.48Å; Y108-G112 PolarHBondContact OH-O 3.39Å; Y108-G112 VanDerWaalsContact OH-O 3.05Å; P109-G112 WeakPolarHBondContact O-CA 3.44Å; P109-G112 PolarHBondContact O-N 3.04Å; N110-G112 VanDerWaalsContact C-N 3.27Å; N110-G112 PolarHBondContact O-N 3.11Å
113K97.5Very high97.2Very high22 Ų2245 Ų4510%0.09626%0.256CS..G310 helixtrans-86.6-11.9178.8-58.4176.8-173.6172.50112.7R3 G15 T16 D36 Y108 N110 T111R3-K113 WeakPolarHBondContact CB-O 3.42Å; G15-K113 VanDerWaalsContact CA-O 3.3Å; G15-K113 WeakPolarHBondContact CA-O 3.46Å; T16-K113 HydrophobicContact CG2-CD 3.96Å; D36-K113 VanDerWaalsContact OD2-CE 3.31Å; D36-K113 WeakPolarHBondContact OD2-CE 3.35Å; D36-K113 IonicContact OD2-NZ 3.92Å; D36-K113 PolarHBondContact OD2-NZ 3.44Å; Y108-K113 HydrophobicContact CD1-CG 3.88Å; Y108-K113 HydrophobicContact CE1-CG 3.87Å; N110-K113 WeakPolarHBondContact O-CB 3.41Å; N110-K113 PolarHBondContact O-N 3.22Å; N110-K113 PolarHBondContact OD1-NZ 2.77Å; T111-K113 PolarHBondContact O-N 3.39Å
114V97.2Very high97.4Very high41 Ų4142.5 Ų42.525%0.24824%0.241CC..SBendtrans-74.6-48.4-174.5-178.70000111.7R3R3-V114 PolarHBondContact N-O 2.66Å
115F97.1Very high97.6Very high44 Ų4440.5 Ų40.519%0.19323%0.226CC..SBendtrans-111.2157.5-174.7-59.1-65.5000111W218 D254 H256F115-W218 HydrophobicContact CB-CH2 4.12Å; F115-W218 HydrophobicContact CB-CZ3 3.76Å; F115-W218 AromaticContact CD1-CH2 3.36Å; F115-W218 HydrophobicContact CD1-CH2 3.36Å; F115-W218 AromaticContact CD1-CZ3 3.46Å; F115-W218 HydrophobicContact CD1-CZ3 3.46Å; F115-W218 VanDerWaalsContact CD1-CZ3 3.46Å; F115-W218 AromaticContact CD2-CH2 3.3Å; F115-W218 HydrophobicContact CD2-CH2 3.3Å; F115-W218 HydrophobicContact CD2-CZ2 4.13Å; F115-W218 AromaticContact CD2-CZ3 3.87Å; F115-W218 HydrophobicContact CD2-CZ3 3.87Å; F115-W218 AromaticContact CE1-CH2 3.47Å; F115-W218 HydrophobicContact CE1-CH2 3.47Å; F115-W218 VanDerWaalsContact CE1-CH2 3.47Å; F115-W218 HydrophobicContact CE1-CZ3 4Å; F115-W218 AromaticContact CE2-CH2 3.4Å; F115-W218 HydrophobicContact CE2-CH2 3.4Å; F115-W218 VanDerWaalsContact CE2-CH2 3.4Å; F115-W218 HydrophobicContact CE2-CZ2 4.03Å; F115-W218 HydrophobicContact CE2-CZ3 4.36Å; F115-W218 AromaticContact CG-CH2 3.28Å; F115-W218 HydrophobicContact CG-CH2 3.28Å; F115-W218 HydrophobicContact CG-CZ2 4.46Å; F115-W218 AromaticContact CG-CZ3 3.39Å; F115-W218 HydrophobicContact CG-CZ3 3.39Å; F115-W218 AromaticContact CZ-CH2 3.49Å; F115-W218 HydrophobicContact CZ-CH2 3.49Å; F115-W218 VanDerWaalsContact CZ-CH2 3.49Å; F115-W218 HydrophobicContact CZ-CZ2 4.27Å; F115-W218 HydrophobicContact CZ-CZ3 4.42Å; F115-D254 CarbonylContact C-O 3.51Å; F115-D254 VanDerWaalsContact CA-O 3.28Å; F115-D254 WeakPolarHBondContact CA-O 3.34Å; F115-D254 WeakPolarHBondContact CB-O 3.31Å; F115-H256 HydrophobicContact CB-CB 3.94Å
116G97.3Very high97.7Very high0 Ų036.9 Ų36.90%020%0.203CC..BIsolated β-bridgetrans-55.3149.5167.800000111.4D254 D255 H256 S257G116-D254 PolarHBondContact N-O 3.09Å; G116-D255 WeakPolarHBondContact CA-OD1 3.46Å; G116-H256 CarbonylContact O-C 3.5Å; G116-H256 WeakPolarHBondContact O-CA 3.03Å; G116-H256 VanDerWaalsContact O-CB 3.31Å; G116-H256 WeakPolarHBondContact O-CB 3.01Å; G116-H256 PolarHBondContact O-N 3.16Å; G116-S257 PolarHBondContact O-N 2.81Å
117Q97.6Very high97.6Very high26 Ų2640.7 Ų40.712%0.12123%0.225CC..  trans-145.8151179.6-57.1-69-15.100108.6S96 V97 H256 S257S96-Q117 PolarHBondContact O-OE1 2.78Å; S96-Q117 VanDerWaalsContact O-OE1 3.06Å; S96-Q117 WeakPolarHBondContact OG-CA 3.1Å; S96-Q117 WeakPolarHBondContact OG-CB 3.43Å; S96-Q117 PolarHBondContact OG-OE1 2.84Å; V97-Q117 HydrophobicContact CG2-CB 3.98Å; V97-Q117 HydrophobicContact CG2-CG 3.99Å; Q117-H256 PolarHBondContact NE2-ND1 2.98Å; Q117-H256 PolarHBondContact OE1-ND1 3.21Å; Q117-S257 WeakPolarHBondContact CA-OG 3.28Å; Q117-S257 PolarHBondContact N-OG 2.62Å; Q117-S257 PolarHBondContact O-OG 2.71Å
118T97.5Very high97.7Very high14 Ų1437.7 Ų37.79%0.08621%0.21CC..  trans-114.3142.9171.840.50000110.3H95 S96 S257 K258H95-T118 WeakPolarHBondContact CA-O 2.92Å; S96-T118 PolarHBondContact N-O 3.49Å; S96-T118 VanDerWaalsContact N-O 3.11Å; S96-T118 PolarHBondContact OG-N 3.19Å; S96-T118 PolarHBondContact OG-O 3.48Å; T118-S257 VanDerWaalsContact CG2-CB 3.5Å; T118-S257 WeakPolarHBondContact CG2-OG 3.39Å; T118-S257 PolarHBondContact N-OG 3.02Å; T118-S257 VanDerWaalsContact N-OG 3.16Å; T118-S257 WeakPolarHBondContact OG1-CB 3.42Å; T118-K258 PolarHBondContact OG1-N 2.97Å
119L98.4Very high97.6Very high56 Ų5637.3 Ų37.329%0.29321%0.208SC..EExtended strand (participates in β ladder)trans-132.6138.8172-6093.8000108.7L42 L93 I94 H95 V97 F100L42-L119 HydrophobicContact CD1-CD2 3.71Å; L42-L119 HydrophobicContact CD2-CD2 3.8Å; L42-L119 HydrophobicContact CG-CD2 4.4Å; L93-L119 HydrophobicContact CD1-CB 4.3Å; L93-L119 HydrophobicContact CD1-CD2 4.31Å; I94-L119 CarbonylContact O-C 3.42Å; I94-L119 WeakPolarHBondContact O-CA 3.24Å; H95-L119 HydrophobicContact CB-CB 4.32Å; H95-L119 HydrophobicContact CB-CD2 3.87Å; H95-L119 HydrophobicContact CB-CG 3.71Å; V97-L119 HydrophobicContact CG2-CD1 4.37Å; V97-L119 HydrophobicContact CG2-CD2 4.49Å; F100-L119 HydrophobicContact CE1-CD2 4.47Å
120L98.4Very high97.6Very high24 Ų2442.2 Ų42.213%0.12623%0.228CC..EExtended strand (participates in β ladder)trans-130.8122.4173.917463.8000108.3L93 I94 I122 I271 V288 F290L93-L120 WeakPolarHBondContact CA-O 3.49Å; I94-L120 PolarHBondContact N-O 3.19Å; I94-L120 PolarHBondContact O-N 3.03Å; L120-I122 HydrophobicContact CD1-CG1 4.27Å; L120-I122 HydrophobicContact CD2-CD1 4.02Å; L120-I122 HydrophobicContact CD2-CG1 4.37Å; L120-I122 HydrophobicContact CG-CD1 4.24Å; L120-I122 HydrophobicContact CG-CG1 4.04Å; L120-I271 HydrophobicContact CB-CB 4.4Å; L120-I271 HydrophobicContact CB-CD1 4.17Å; L120-I271 HydrophobicContact CB-CG2 4.13Å; L120-I271 HydrophobicContact CD1-CD1 4.44Å; L120-I271 HydrophobicContact CD2-CB 4.22Å; L120-I271 HydrophobicContact CD2-CD1 4.36Å; L120-V288 HydrophobicContact CD2-CB 4.1Å; L120-V288 HydrophobicContact CD2-CG1 4.08Å; L120-F290 HydrophobicContact CD2-CE1 4.39Å
121C98.6Very high97.7Very high57 Ų5738.8 Ų38.839%0.38521%0.208SC..EExtended strand (participates in β ladder)trans-112.8130.8175.1-170.60000109.8W92 L93W92-C121 WeakPolarHBondContact O-CA 3.48Å; L93-C121 HydrophobicContact CD1-CB 3.99Å
122I98.6Very high97.8Very high8 Ų835.5 Ų35.54%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-129.6125.9179.2-49.5167.8000109.1F91 W92 L120 F124 F187 V288F91-I122 CarbonylContact C-O 3.43Å; F91-I122 VanDerWaalsContact CA-O 3.26Å; F91-I122 WeakPolarHBondContact CA-O 3.23Å; W92-I122 PolarHBondContact N-O 3.02Å; W92-I122 PolarHBondContact O-N 3.22Å; L120-I122 HydrophobicContact CD1-CG1 4.27Å; L120-I122 HydrophobicContact CD2-CD1 4.02Å; L120-I122 HydrophobicContact CD2-CG1 4.37Å; L120-I122 HydrophobicContact CG-CD1 4.24Å; L120-I122 HydrophobicContact CG-CG1 4.04Å; I122-F124 HydrophobicContact CB-CD2 4.27Å; I122-F124 HydrophobicContact CB-CE2 3.53Å; I122-F124 HydrophobicContact CB-CZ 3.69Å; I122-F124 HydrophobicContact CD1-CE2 4.35Å; I122-F124 HydrophobicContact CD1-CZ 3.99Å; I122-F124 HydrophobicContact CG1-CZ 4.47Å; I122-F124 HydrophobicContact CG2-CD1 4.31Å; I122-F124 HydrophobicContact CG2-CD2 4.2Å; I122-F124 HydrophobicContact CG2-CE1 3.71Å; I122-F124 HydrophobicContact CG2-CE2 3.59Å; I122-F124 HydrophobicContact CG2-CZ 3.31Å; I122-F124 WeakPolarHBondContact O-CD2 3.37Å; I122-F187 HydrophobicContact CD1-CD1 3.69Å; I122-F187 HydrophobicContact CD1-CD2 4.25Å; I122-F187 HydrophobicContact CD1-CE1 3.68Å; I122-F187 HydrophobicContact CD1-CE2 4.24Å; I122-F187 HydrophobicContact CD1-CG 4Å; I122-F187 HydrophobicContact CD1-CZ 3.97Å; I122-F187 HydrophobicContact CG1-CE1 4.12Å; I122-F187 HydrophobicContact CG1-CZ 4.07Å; I122-F187 HydrophobicContact CG2-CD2 4.28Å; I122-F187 HydrophobicContact CG2-CE2 3.73Å; I122-F187 HydrophobicContact CG2-CZ 4Å; I122-V288 HydrophobicContact CD1-CG1 4.18Å
123T98.5Very high97.9Very high72 Ų7235.5 Ų35.544%0.44219%0.187SC..EExtended strand (participates in β ladder)trans-80.6133.7172.1-49.90000110.5G90 S181 A182G90-T123 CarbonylContact O-C 3.6Å; G90-T123 VanDerWaalsContact O-CA 3.31Å; G90-T123 WeakPolarHBondContact O-CA 3.34Å; G90-T123 WeakPolarHBondContact O-CG2 3.44Å; T123-S181 CarbonylContact O-C 3.55Å; T123-S181 VanDerWaalsContact O-CA 3.25Å; T123-S181 WeakPolarHBondContact O-CA 3.4Å; T123-S181 VanDerWaalsContact O-CB 3.32Å; T123-S181 WeakPolarHBondContact O-CB 3.18Å; T123-A182 HydrophobicContact CG2-CB 4.04Å; T123-A182 PolarHBondContact O-N 3.41Å
124F98.6Very high97.9Very high0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans-128.9152.2-177.7-70.4-67.9000111.7F85 L89 G90 W92 I122 T128 I132 I179 R180F85-F124 HydrophobicContact CE1-CB 3.93Å; F85-F124 HydrophobicContact CZ-CB 3.92Å; L89-F124 WeakPolarHBondContact CA-O 3.27Å; G90-F124 PolarHBondContact N-O 3.42Å; G90-F124 PolarHBondContact O-N 3.29Å; W92-F124 HydrophobicContact CB-CD2 4.05Å; W92-F124 HydrophobicContact CB-CE2 3.77Å; W92-F124 HydrophobicContact CE3-CE2 4.14Å; I122-F124 HydrophobicContact CB-CD2 4.27Å; I122-F124 HydrophobicContact CB-CE2 3.53Å; I122-F124 HydrophobicContact CB-CZ 3.69Å; I122-F124 HydrophobicContact CD1-CE2 4.35Å; I122-F124 HydrophobicContact CD1-CZ 3.99Å; I122-F124 HydrophobicContact CG1-CZ 4.47Å; I122-F124 HydrophobicContact CG2-CD1 4.31Å; I122-F124 HydrophobicContact CG2-CD2 4.2Å; I122-F124 HydrophobicContact CG2-CE1 3.71Å; I122-F124 HydrophobicContact CG2-CE2 3.59Å; I122-F124 HydrophobicContact CG2-CZ 3.31Å; I122-F124 WeakPolarHBondContact O-CD2 3.37Å; F124-T128 HydrophobicContact CB-CG2 4.49Å; F124-T128 HydrophobicContact CD1-CG2 3.6Å; F124-T128 HydrophobicContact CE1-CG2 4.01Å; F124-T128 HydrophobicContact CG-CG2 4.15Å; F124-I132 HydrophobicContact CD2-CD1 3.64Å; F124-I132 HydrophobicContact CE2-CD1 3.87Å; F124-I132 HydrophobicContact CG-CD1 4.08Å; F124-I179 HydrophobicContact CE1-CB 4.2Å; F124-I179 HydrophobicContact CE1-CD1 4.18Å; F124-I179 HydrophobicContact CE1-CG1 4.07Å; F124-I179 HydrophobicContact CZ-CD1 3.67Å; F124-I179 HydrophobicContact CZ-CG1 4.03Å; F124-R180 VanDerWaalsContact CD1-O 3.23Å; F124-R180 WeakPolarHBondContact CD1-O 3.24Å
125N98.2Very high98Very high69 Ų6935.1 Ų35.137%0.36918%0.183SC..EExtended strand (participates in β ladder)trans-72.6149.3162-67.1-58.7000109.6L89 N127 T128L89-N125 VanDerWaalsContact CD2-OD1 3.29Å; L89-N125 WeakPolarHBondContact CD2-OD1 3.4Å; N125-N127 PolarHBondContact O-N 3.32Å; N125-N127 VanDerWaalsContact O-N 3.09Å; N125-T128 WeakPolarHBondContact O-CB 3.34Å; N125-T128 PolarHBondContact O-N 2.88Å; N125-T128 PolarHBondContact O-OG1 3.5Å
126L97.4Very high98.1Very high11 Ų1133 Ų336%0.05817%0.174CC..G310 helixtrans-52.4-36.8-178.3179.862.7000113.2F85 D87 R88 T128 L129 I152 F156F85-L126 HydrophobicContact CB-CD1 4.05Å; F85-L126 HydrophobicContact CD1-CD1 3.92Å; F85-L126 HydrophobicContact CG-CD1 4.25Å; D87-L126 WeakPolarHBondContact O-CD2 3.34Å; R88-L126 PolarHBondContact O-N 3.32Å; L126-T128 PolarHBondContact O-N 2.83Å; L126-L129 HydrophobicContact CD1-CB 4.46Å; L126-L129 HydrophobicContact CD1-CD2 3.98Å; L126-L129 WeakPolarHBondContact O-CB 3.34Å; L126-L129 PolarHBondContact O-N 2.98Å; L126-I152 HydrophobicContact CD1-CD1 3.97Å; L126-I152 HydrophobicContact CD2-CD1 4.2Å; L126-F156 HydrophobicContact CD1-CE2 4Å; L126-F156 HydrophobicContact CG-CE2 4.09Å; L126-F156 HydrophobicContact CG-CZ 4.38Å
127N96.7Very high98.1Very high108 Ų10834.5 Ų34.558%0.57818%0.18SC*.G310 helixtrans-60.8-26.1179-77-28.3000114N125 L129 R155N125-N127 PolarHBondContact O-N 3.32Å; N125-N127 VanDerWaalsContact O-N 3.09Å; N127-L129 PolarHBondContact O-N 3.36Å; N127-R155 PolarHBondContact OD1-NH2 2.96Å
128T97.7Very high98.2Very high23 Ų2335.1 Ų35.114%0.14118%0.181CC..G310 helixtrans-70.8-19.4176.7-51.80000111.8F124 N125 L126 K130 E131 I132 I179F124-T128 HydrophobicContact CB-CG2 4.49Å; F124-T128 HydrophobicContact CD1-CG2 3.6Å; F124-T128 HydrophobicContact CE1-CG2 4.01Å; F124-T128 HydrophobicContact CG-CG2 4.15Å; N125-T128 WeakPolarHBondContact O-CB 3.34Å; N125-T128 PolarHBondContact O-N 2.88Å; N125-T128 PolarHBondContact O-OG1 3.5Å; L126-T128 PolarHBondContact O-N 2.83Å; T128-K130 PolarHBondContact O-N 2.84Å; T128-E131 PolarHBondContact O-N 2.91Å; T128-I132 HydrophobicContact CG2-CD1 4.23Å; T128-I132 HydrophobicContact CG2-CG1 4.31Å; T128-I132 PolarHBondContact O-N 2.78Å; T128-I132 VanDerWaalsContact O-N 3.11Å; T128-I179 HydrophobicContact CG2-CB 4.09Å; T128-I179 HydrophobicContact CG2-CG2 4.34Å
129L97.5Very high98.2Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-58.9-30.7179.6-176.457.2000112.8F59 L83 F85 L126 N127 E131 I132 G133 I152 F156 L159F59-L129 HydrophobicContact CD1-CD1 4.39Å; F59-L129 HydrophobicContact CD1-CD2 3.74Å; F59-L129 HydrophobicContact CE1-CD1 3.61Å; F59-L129 HydrophobicContact CE1-CD2 3.71Å; F59-L129 HydrophobicContact CE1-CG 4.3Å; F59-L129 HydrophobicContact CG-CD2 4.24Å; F59-L129 HydrophobicContact CZ-CD1 4.04Å; F59-L129 HydrophobicContact CZ-CD2 4.2Å; L83-L129 HydrophobicContact CD1-CD1 4.25Å; F85-L129 HydrophobicContact CD2-CD1 4.02Å; F85-L129 HydrophobicContact CD2-CD2 4.22Å; F85-L129 HydrophobicContact CE1-CB 4.29Å; F85-L129 HydrophobicContact CE2-CD1 3.77Å; F85-L129 HydrophobicContact CG-CD2 4.22Å; F85-L129 HydrophobicContact CZ-CB 4.31Å; F85-L129 HydrophobicContact CZ-CD1 4.23Å; L126-L129 HydrophobicContact CD1-CB 4.46Å; L126-L129 HydrophobicContact CD1-CD2 3.98Å; L126-L129 WeakPolarHBondContact O-CB 3.34Å; L126-L129 PolarHBondContact O-N 2.98Å; N127-L129 PolarHBondContact O-N 3.36Å; L129-E131 VanDerWaalsContact C-N 3.35Å; L129-E131 PolarHBondContact O-N 2.79Å; L129-I132 PolarHBondContact O-N 3.2Å; L129-G133 PolarHBondContact O-N 3.07Å; L129-I152 HydrophobicContact CD2-CG2 4.19Å; L129-F156 HydrophobicContact CB-CD2 4.22Å; L129-F156 HydrophobicContact CB-CE2 4Å; L129-F156 HydrophobicContact CB-CZ 4.5Å; L129-F156 HydrophobicContact CD2-CD2 3.86Å; L129-F156 HydrophobicContact CD2-CE2 4.02Å; L129-F156 HydrophobicContact CG-CD2 4.08Å; L129-F156 HydrophobicContact CG-CE2 4.3Å; L129-L159 HydrophobicContact CD1-CD1 4.38Å; L129-L159 HydrophobicContact CD1-CD2 4.19Å; L129-L159 HydrophobicContact CD2-CD1 3.83Å; L129-L159 HydrophobicContact CG-CD1 3.92Å; L129-L159 HydrophobicContact CG-CD2 4.46Å
130K97.4Very high98.2Very high120 Ų12032.7 Ų32.752%0.52217%0.17SC..Hα-helixtrans-54.4-52.4171.8-175.4-173174.9-166.10111.1T128 G133 E134 F156T128-K130 PolarHBondContact O-N 2.84Å; K130-G133 PolarHBondContact O-N 2.9Å; K130-E134 WeakPolarHBondContact O-CG 3.41Å; K130-E134 PolarHBondContact O-N 3.2Å; K130-F156 HydrophobicContact CB-CD1 3.63Å; K130-F156 HydrophobicContact CB-CE1 3.78Å; K130-F156 HydrophobicContact CG-CD1 4.23Å
131E98.2Very high98.2Very high50 Ų5031.7 Ų31.723%0.23417%0.165CC..Hα-helixtrans-70.1-36.4-175.2-167.964.6-167.700111.5T128 L129 E134 Q135 R175 A177 I179T128-E131 PolarHBondContact O-N 2.91Å; L129-E131 VanDerWaalsContact C-N 3.35Å; L129-E131 PolarHBondContact O-N 2.79Å; E131-E134 PolarHBondContact O-N 2.88Å; E131-Q135 VanDerWaalsContact O-CG 3.31Å; E131-Q135 WeakPolarHBondContact O-CG 3.37Å; E131-Q135 PolarHBondContact O-N 2.96Å; E131-R175 IonicContact OE1-CZ 3.51Å; E131-R175 IonicContact OE1-NH1 3.41Å; E131-R175 PolarHBondContact OE1-NH1 2.8Å; E131-R175 IonicContact OE1-NH2 2.75Å; E131-R175 PolarHBondContact OE1-NH2 3.04Å; E131-R175 IonicContact OE2-CZ 3.02Å; E131-R175 IonicContact OE2-NH1 2.61Å; E131-R175 IonicContact OE2-NH2 3.66Å; E131-R175 PolarHBondContact OE2-NH2 3.3Å; E131-A177 HydrophobicContact CG-CB 3.93Å; E131-A177 WeakPolarHBondContact OE1-CB 3.44Å; E131-I179 HydrophobicContact CB-CG2 4.22Å; E131-I179 HydrophobicContact CG-CG2 3.66Å
132I98.6Very high98.2Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-62.7-45.4172.2-64.8171.4000110.4L83 F85 W92 F124 T128 L129 E134 Q135 L136L83-I132 HydrophobicContact CD1-CG2 3.77Å; L83-I132 HydrophobicContact CD2-CD1 4.48Å; L83-I132 HydrophobicContact CD2-CG2 3.68Å; L83-I132 HydrophobicContact CG-CG2 4.38Å; F85-I132 HydrophobicContact CZ-CD1 4.12Å; W92-I132 HydrophobicContact CD2-CG2 4.07Å; W92-I132 HydrophobicContact CE3-CD1 4.01Å; W92-I132 HydrophobicContact CE3-CG1 3.88Å; W92-I132 HydrophobicContact CE3-CG2 3.95Å; W92-I132 HydrophobicContact CH2-CG2 4.39Å; W92-I132 HydrophobicContact CZ2-CG2 4.48Å; W92-I132 HydrophobicContact CZ3-CG1 4.09Å; W92-I132 HydrophobicContact CZ3-CG2 4.11Å; F124-I132 HydrophobicContact CD2-CD1 3.64Å; F124-I132 HydrophobicContact CE2-CD1 3.87Å; F124-I132 HydrophobicContact CG-CD1 4.08Å; T128-I132 HydrophobicContact CG2-CD1 4.23Å; T128-I132 HydrophobicContact CG2-CG1 4.31Å; T128-I132 PolarHBondContact O-N 2.78Å; T128-I132 VanDerWaalsContact O-N 3.11Å; L129-I132 PolarHBondContact O-N 3.2Å; I132-E134 VanDerWaalsContact C-N 3.33Å; I132-E134 PolarHBondContact O-N 3.37Å; I132-Q135 WeakPolarHBondContact O-CB 3.44Å; I132-Q135 PolarHBondContact O-N 2.81Å; I132-Q135 VanDerWaalsContact O-N 3.11Å; I132-L136 HydrophobicContact CG2-CD1 4.36Å; I132-L136 HydrophobicContact CG2-CG 4.42Å; I132-L136 WeakPolarHBondContact O-CG 3.07Å; I132-L136 PolarHBondContact O-N 3.46Å
133G98.4Very high98.1Very high0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-59.6-41.4176.800000112.8L129 K130 L136 Y137 V162L129-G133 PolarHBondContact O-N 3.07Å; K130-G133 PolarHBondContact O-N 2.9Å; G133-L136 PolarHBondContact O-N 3.15Å; G133-Y137 WeakPolarHBondContact O-CB 3.26Å; G133-Y137 PolarHBondContact O-N 3.21Å; G133-V162 WeakPolarHBondContact O-CG2 3.45Å
134E98.5Very high98.1Very high56 Ų5628.7 Ų28.726%0.26214%0.141SC..Hα-helixtrans-62.3-40.6172.9-68.7-66.5160.400112.4K130 E131 I132 Y137 Y138 V158K130-E134 WeakPolarHBondContact O-CG 3.41Å; K130-E134 PolarHBondContact O-N 3.2Å; E131-E134 PolarHBondContact O-N 2.88Å; I132-E134 VanDerWaalsContact C-N 3.33Å; I132-E134 PolarHBondContact O-N 3.37Å; E134-Y137 PolarHBondContact O-N 3.16Å; E134-Y138 WeakPolarHBondContact O-CD2 3Å; E134-Y138 PolarHBondContact O-N 2.98Å; E134-V158 HydrophobicContact CG-CG1 4.48Å
135Q98.7Very high98.1Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-64.7-46.3175.9-70.9-65.2-24.900111.8E131 I132 Y137 Y138 N139 R175 A177 H189E131-Q135 VanDerWaalsContact O-CG 3.31Å; E131-Q135 WeakPolarHBondContact O-CG 3.37Å; E131-Q135 PolarHBondContact O-N 2.96Å; I132-Q135 WeakPolarHBondContact O-CB 3.44Å; I132-Q135 PolarHBondContact O-N 2.81Å; I132-Q135 VanDerWaalsContact O-N 3.11Å; Q135-Y137 VanDerWaalsContact C-N 3.29Å; Q135-Y137 PolarHBondContact O-N 3.26Å; Q135-Y138 WeakPolarHBondContact O-CB 3.33Å; Q135-Y138 PolarHBondContact O-N 3.27Å; Q135-Y138 VanDerWaalsContact O-N 3.11Å; Q135-N139 PolarHBondContact O-N 2.73Å; Q135-N139 PolarHBondContact O-OD1 2.69Å; Q135-R175 PolarHBondContact OE1-O 3.2Å; Q135-A177 HydrophobicContact CG-CB 4.26Å; Q135-H189 WeakPolarHBondContact CB-ND1 3.38Å; Q135-H189 HydrophobicContact CG-CB 4.27Å; Q135-H189 WeakPolarHBondContact CG-ND1 3.31Å; Q135-H189 PolarHBondContact OE1-ND1 2.61Å
136L98.7Very high98Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-64.8-32.4176.2-67.7-174.2000112.4M61 Y63 L83 W92 I132 G133 Y138 N139 S140 P141 V162M61-L136 HydrophobicContact SD-CD1 4.18Å; Y63-L136 HydrophobicContact CE1-CD1 4.14Å; Y63-L136 HydrophobicContact CE1-CD2 4.2Å; Y63-L136 HydrophobicContact CE2-CD2 4.41Å; L83-L136 HydrophobicContact CD1-CD1 3.42Å; L83-L136 VanDerWaalsContact CD1-CD1 3.42Å; L83-L136 HydrophobicContact CG-CD1 4.41Å; W92-L136 HydrophobicContact CZ2-CD2 3.95Å; I132-L136 HydrophobicContact CG2-CD1 4.36Å; I132-L136 HydrophobicContact CG2-CG 4.42Å; I132-L136 WeakPolarHBondContact O-CG 3.07Å; I132-L136 PolarHBondContact O-N 3.46Å; G133-L136 PolarHBondContact O-N 3.15Å; L136-Y138 VanDerWaalsContact C-N 3.3Å; L136-Y138 PolarHBondContact O-N 2.8Å; L136-N139 PolarHBondContact O-N 2.94Å; L136-S140 PolarHBondContact O-N 3.22Å; L136-P141 HydrophobicContact CB-CG 4.39Å; L136-P141 HydrophobicContact CD2-CG 4.29Å; L136-P141 WeakPolarHBondContact O-CD 3.25Å; L136-V162 HydrophobicContact CB-CG1 3.89Å; L136-V162 HydrophobicContact CB-CG2 3.96Å; L136-V162 HydrophobicContact CD1-CG1 4.45Å
137Y98.6Very high98Very high30 Ų3029.5 Ų29.512%0.11815%0.151CC..Hα-helixtrans-62-39.1172.8173.9-102.9000111.6G133 E134 Q135 V158 K161 E166 G167 P168G133-Y137 WeakPolarHBondContact O-CB 3.26Å; G133-Y137 PolarHBondContact O-N 3.21Å; E134-Y137 PolarHBondContact O-N 3.16Å; Q135-Y137 VanDerWaalsContact C-N 3.29Å; Q135-Y137 PolarHBondContact O-N 3.26Å; Y137-V158 HydrophobicContact CD2-CG2 4.45Å; Y137-V158 HydrophobicContact CG-CG2 4.09Å; Y137-K161 HydrophobicContact CD2-CB 3.84Å; Y137-K161 HydrophobicContact CD2-CD 4.36Å; Y137-K161 HydrophobicContact CE2-CB 3.96Å; Y137-K161 HydrophobicContact CE2-CD 3.92Å; Y137-E166 HydrophobicContact CD2-CB 4.41Å; Y137-E166 HydrophobicContact CE2-CB 3.87Å; Y137-G167 WeakPolarHBondContact O-CA 3.33Å; Y137-G167 VanDerWaalsContact OH-C 3.31Å; Y137-G167 PolarHBondContact OH-O 3.18Å; Y137-G167 VanDerWaalsContact OH-O 3.05Å; Y137-P168 HydrophobicContact CE1-CB 4.23Å; Y137-P168 WeakPolarHBondContact O-CD 2.96Å
138Y98.5Very high98Very high39 Ų3926 Ų2615%0.15313%0.133CC..Hα-helixtrans-68.3-37.6173.3-87.2-107.5000112.5E134 Q135 L136 P168 V174 R175 K192 S193E134-Y138 WeakPolarHBondContact O-CD2 3Å; E134-Y138 PolarHBondContact O-N 2.98Å; Q135-Y138 WeakPolarHBondContact O-CB 3.33Å; Q135-Y138 PolarHBondContact O-N 3.27Å; Q135-Y138 VanDerWaalsContact O-N 3.11Å; L136-Y138 VanDerWaalsContact C-N 3.3Å; L136-Y138 PolarHBondContact O-N 2.8Å; Y138-P168 HydrophobicContact CD1-CB 4.41Å; Y138-P168 HydrophobicContact CD1-CG 3.8Å; Y138-P168 HydrophobicContact CE1-CB 4.09Å; Y138-P168 HydrophobicContact CE1-CG 3.96Å; Y138-P168 HydrophobicContact CG-CG 4.14Å; Y138-V174 VanDerWaalsContact CD1-C 3.46Å; Y138-V174 VanDerWaalsContact CE1-C 3.43Å; Y138-V174 WeakPolarHBondContact CE1-O 3.33Å; Y138-R175 HydrophobicContact CD1-CB 3.67Å; Y138-R175 HydrophobicContact CD2-CB 3.83Å; Y138-R175 HydrophobicContact CD2-CG 4.34Å; Y138-R175 HydrophobicContact CE1-CB 3.84Å; Y138-R175 HydrophobicContact CE2-CB 4.01Å; Y138-R175 HydrophobicContact CE2-CG 4.24Å; Y138-R175 HydrophobicContact CG-CB 3.65Å; Y138-K192 CarbonylContact O-C 3.55Å; Y138-S193 WeakPolarHBondContact O-CA 3.47Å; Y138-S193 WeakPolarHBondContact O-CB 3.22Å; Y138-S193 PolarHBondContact O-N 3.11Å
139N98.3Very high98Very high2 Ų225.5 Ų25.51%0.01113%0.13CC..Hα-helixtrans-68.8-43.3176.3-59.8143.6000111.9A77 Q135 L136 A191 K192 G285A77-N139 HydrophobicContact CB-CB 4.19Å; A77-N139 WeakPolarHBondContact CB-O 3.37Å; Q135-N139 PolarHBondContact O-N 2.73Å; Q135-N139 PolarHBondContact O-OD1 2.69Å; L136-N139 PolarHBondContact O-N 2.94Å; N139-A191 WeakPolarHBondContact ND2-CB 3.08Å; N139-K192 PolarHBondContact ND2-O 3.36Å; N139-G285 WeakPolarHBondContact ND2-CA 3.41Å; N139-G285 PolarHBondContact ND2-O 3.46Å
140S97.9Very high97.9Very high18 Ų1831.5 Ų31.513%0.12616%0.162CC..  trans59.160.3-169.1179.60000111.9A77 L136 G165A77-S140 PolarHBondContact N-O 3.5Å; L136-S140 PolarHBondContact O-N 3.22Å; S140-G165 PolarHBondContact OG-O 2.89Å
141P98.3Very high97.8Very high3 Ų329.4 Ų29.42%0.01916%0.162CC..  trans-69.2160.8-178.735.4-40.1000112.5Y63 L136 V143 V162Y63-P141 HydrophobicContact CD2-CB 3.44Å; Y63-P141 VanDerWaalsContact CD2-CB 3.44Å; Y63-P141 HydrophobicContact CD2-CG 4.17Å; Y63-P141 HydrophobicContact CE2-CB 4.15Å; Y63-P141 HydrophobicContact CG-CB 3.78Å; Y63-P141 HydrophobicContact CG-CG 4.13Å; L136-P141 HydrophobicContact CB-CG 4.39Å; L136-P141 HydrophobicContact CD2-CG 4.29Å; L136-P141 WeakPolarHBondContact O-CD 3.25Å; P141-V143 PolarHBondContact O-N 3.5Å; P141-V162 HydrophobicContact CG-CG1 4.12Å
142G97.9Very high97.7Very high5 Ų527.6 Ų27.65%0.05215%0.154CC..  trans-83.492175.800000110.3Y63 N64Y63-G142 CarbonylContact C-O 3.59Å; Y63-G142 WeakPolarHBondContact CA-O 3.38Å; Y63-G142 WeakPolarHBondContact CB-O 3.43Å; N64-G142 PolarHBondContact N-O 3.19Å
143V98.3Very high97.6Very high24 Ų2428.5 Ų28.515%0.14516%0.162CC..EExtended strand (participates in β ladder)trans-73.5126.7176.1-1770000109.1M61 M62 P141 A146 V162 L163M61-V143 HydrophobicContact CE-CG2 4.34Å; M61-V143 HydrophobicContact CG-CB 4.47Å; M61-V143 HydrophobicContact CG-CG1 3.75Å; M61-V143 HydrophobicContact CG-CG2 3.88Å; M61-V143 HydrophobicContact SD-CG1 4.49Å; M61-V143 HydrophobicContact SD-CG2 3.66Å; M62-V143 WeakPolarHBondContact O-CA 3.43Å; P141-V143 PolarHBondContact O-N 3.5Å; V143-A146 HydrophobicContact CG1-CB 3.91Å; V143-V162 HydrophobicContact CG2-CG1 4.29Å; V143-L163 HydrophobicContact CB-CD1 4.49Å; V143-L163 HydrophobicContact CG1-CD1 3.8Å
144Y97.6Very high97.5Very high45 Ų4535.2 Ų35.218%0.17619%0.193CC..EExtended strand (participates in β ladder)trans-120.7-15.7-178.764.3-95.7000113.9M62 N64 Y67 P68 F100 P101M62-Y144 HydrophobicContact CB-CD2 4.39Å; M62-Y144 HydrophobicContact CB-CE1 3.89Å; M62-Y144 HydrophobicContact CB-CE2 3.68Å; M62-Y144 VanDerWaalsContact CB-CZ 3.41Å; M62-Y144 WeakPolarHBondContact CB-OH 3.44Å; M62-Y144 WeakPolarHBondContact O-CD1 3.48Å; M62-Y144 PolarHBondContact O-N 3.32Å; M62-Y144 HydrophobicContact SD-CE2 4.09Å; N64-Y144 HydrophobicContact CB-CD1 4.13Å; N64-Y144 HydrophobicContact CB-CE1 3.7Å; Y67-Y144 AromaticContact CD1-CD1 3.93Å; Y67-Y144 HydrophobicContact CD1-CD1 3.93Å; Y67-Y144 HydrophobicContact CD1-CG 4.24Å; Y67-Y144 HydrophobicContact CD2-CG 4.46Å; Y67-Y144 HydrophobicContact CE1-CD1 4.38Å; Y67-Y144 HydrophobicContact CG-CD1 4.26Å; Y67-Y144 HydrophobicContact CG-CG 4.13Å; P68-Y144 HydrophobicContact CG-CD2 4.27Å; P68-Y144 HydrophobicContact CG-CE2 3.59Å; F100-Y144 PolarHBondContact O-OH 2.87Å; P101-Y144 WeakPolarHBondContact CD-OH 3.39Å; P101-Y144 WeakPolarHBondContact O-CE2 3.18Å; P101-Y144 PolarHBondContact O-OH 3.34Å
145A97.6Very high97.5Very high15 Ų1538.9 Ų38.912%0.12421%0.205CC..EExtended strand (participates in β ladder)trans-149.4134.8170.400000108.9Y60 M62 P103Y60-A145 HydrophobicContact CE2-CB 4.11Å; M62-A145 HydrophobicContact CB-CB 4.3Å; M62-A145 PolarHBondContact N-O 2.94Å; M62-A145 HydrophobicContact SD-CB 4.4Å; P103-A145 HydrophobicContact CB-CB 3.63Å
146A97.8Very high97.4Very high35 Ų3539.2 Ų39.229%0.28921%0.206SC..EExtended strand (participates in β ladder)trans-159.5151.5178.600000111.6Y60 M61 V143 L163Y60-A146 VanDerWaalsContact CE2-CA 3.44Å; Y60-A146 CarbonylContact O-C 3.55Å; Y60-A146 VanDerWaalsContact O-CA 3.24Å; Y60-A146 WeakPolarHBondContact O-CA 3.37Å; Y60-A146 WeakPolarHBondContact O-CB 3.42Å; M61-A146 HydrophobicContact CB-CB 4.48Å; M61-A146 HydrophobicContact CG-CB 4.47Å; V143-A146 HydrophobicContact CG1-CB 3.91Å; A146-L163 HydrophobicContact CB-CD1 3.63Å
147Q97.1Very high97.3Very high47 Ų4743.1 Ų43.122%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-131.3123.8162.1-176.2172.3-9400108.2M55 T58 F59 Y60M55-Q147 PolarHBondContact O-NE2 2.63Å; T58-Q147 PolarHBondContact O-NE2 3.01Å; F59-Q147 WeakPolarHBondContact CA-O 3.35Å; F59-Q147 WeakPolarHBondContact CD2-O 3.49Å; Y60-Q147 HydrophobicContact CD1-CB 3.59Å; Y60-Q147 HydrophobicContact CE1-CB 3.25Å; Y60-Q147 HydrophobicContact CE1-CG 4.46Å; Y60-Q147 HydrophobicContact CG-CB 4.48Å; Y60-Q147 PolarHBondContact N-O 2.84Å; Y60-Q147 PolarHBondContact O-N 3.03Å
148V96.8Very high97.3Very high35 Ų3542.3 Ų42.321%0.21223%0.229CC..  trans-121.795.3179.4-168.30000108.5F59 I152 A153 L163F59-V148 HydrophobicContact CD2-CB 4.45Å; F59-V148 HydrophobicContact CD2-CG1 4.22Å; F59-V148 HydrophobicContact CD2-CG2 4.22Å; F59-V148 HydrophobicContact CE2-CG1 4.34Å; F59-V148 HydrophobicContact CE2-CG2 4Å; V148-I152 HydrophobicContact CG1-CB 4.49Å; V148-I152 HydrophobicContact CG1-CG2 4.17Å; V148-A153 HydrophobicContact CG1-CB 3.94Å; V148-L163 HydrophobicContact CG2-CD2 4.34Å
149P96.1Very high97.3Very high12 Ų1240.4 Ų40.48%0.07822%0.222CC..  trans-54.6146.7176.6-22.930.3000111.2I56 T57 S151 I152 A153I56-P149 WeakPolarHBondContact O-CG 3.31Å; T57-P149 WeakPolarHBondContact O-CG 3.39Å; P149-S151 PolarHBondContact O-N 2.7Å; P149-I152 HydrophobicContact CB-CB 4.44Å; P149-I152 HydrophobicContact CB-CG1 4.16Å; P149-I152 HydrophobicContact CG-CG1 4.14Å; P149-I152 WeakPolarHBondContact O-CA 3.02Å; P149-I152 WeakPolarHBondContact O-CB 3.4Å; P149-I152 PolarHBondContact O-N 3Å; P149-A153 PolarHBondContact O-N 2.89Å
150L95.7Very high97.3Very high125 Ų12543.5 Ų43.565%0.65424%0.241SC*.Hα-helixtrans-55.5-40.3-177.1-179.261.8000112.4I152 A153 Q154L150-I152 VanDerWaalsContact C-N 3.31Å; L150-I152 PolarHBondContact O-N 3.33Å; L150-A153 PolarHBondContact O-N 2.89Å; L150-Q154 HydrophobicContact CD1-CG 4.16Å; L150-Q154 HydrophobicContact CG-CG 4.39Å; L150-Q154 WeakPolarHBondContact O-CB 3.18Å; L150-Q154 VanDerWaalsContact O-CG 3.28Å; L150-Q154 WeakPolarHBondContact O-CG 3.45Å; L150-Q154 PolarHBondContact O-N 3.37Å
151S95.2Very high97.3Very high77 Ų7747.2 Ų47.254%0.53826%0.255SS..Hα-helixtrans-61.5-37.7176.856.70000112.7P149 R155P149-S151 PolarHBondContact O-N 2.7Å; S151-R155 VanDerWaalsContact O-CB 3.24Å; S151-R155 WeakPolarHBondContact O-CB 3.06Å; S151-R155 PolarHBondContact O-N 3.23Å; S151-R155 VanDerWaalsContact O-N 3.08Å
152I97Very high97.3Very high12 Ų1247.1 Ų47.16%0.06225%0.254CS..Hα-helixtrans-72.6-43.5176.2-62.7-61.5000110.6F59 L126 L129 V148 P149 L150 Q154 R155 F156 L159F59-I152 HydrophobicContact CB-CG1 4.26Å; F59-I152 HydrophobicContact CB-CG2 4.3Å; F59-I152 HydrophobicContact CD2-CG2 3.78Å; F59-I152 HydrophobicContact CE2-CG2 4.39Å; F59-I152 HydrophobicContact CG-CG2 4.11Å; L126-I152 HydrophobicContact CD1-CD1 3.97Å; L126-I152 HydrophobicContact CD2-CD1 4.2Å; L129-I152 HydrophobicContact CD2-CG2 4.19Å; V148-I152 HydrophobicContact CG1-CB 4.49Å; V148-I152 HydrophobicContact CG1-CG2 4.17Å; P149-I152 HydrophobicContact CB-CB 4.44Å; P149-I152 HydrophobicContact CB-CG1 4.16Å; P149-I152 HydrophobicContact CG-CG1 4.14Å; P149-I152 WeakPolarHBondContact O-CA 3.02Å; P149-I152 WeakPolarHBondContact O-CB 3.4Å; P149-I152 PolarHBondContact O-N 3Å; L150-I152 VanDerWaalsContact C-N 3.31Å; L150-I152 PolarHBondContact O-N 3.33Å; I152-Q154 VanDerWaalsContact C-N 3.35Å; I152-Q154 PolarHBondContact O-N 2.96Å; I152-R155 PolarHBondContact O-N 3.42Å; I152-F156 HydrophobicContact CG2-CD2 4.17Å; I152-F156 PolarHBondContact O-N 2.96Å; I152-L159 HydrophobicContact CG2-CD1 3.77Å
153A96.8Very high97.2Very high19 Ų1950.5 Ų50.516%0.15727%0.27CS..Hα-helixtrans-61.4-42176.900000112.1V148 P149 L150 F156 P157 V160V148-A153 HydrophobicContact CG1-CB 3.94Å; P149-A153 PolarHBondContact O-N 2.89Å; L150-A153 PolarHBondContact O-N 2.89Å; A153-F156 CarbonylContact O-C 3.44Å; A153-P157 WeakPolarHBondContact O-CA 3.41Å; A153-V160 HydrophobicContact CB-CG2 3.89Å
154Q97.1Very high97.1Very high141 Ų14154 Ų5466%0.65929%0.292SS*.Hα-helixtrans-67.1-41.4176.4-73.8173.4-2200112L150 I152L150-Q154 HydrophobicContact CD1-CG 4.16Å; L150-Q154 HydrophobicContact CG-CG 4.39Å; L150-Q154 WeakPolarHBondContact O-CB 3.18Å; L150-Q154 VanDerWaalsContact O-CG 3.28Å; L150-Q154 WeakPolarHBondContact O-CG 3.45Å; L150-Q154 PolarHBondContact O-N 3.37Å; I152-Q154 VanDerWaalsContact C-N 3.35Å; I152-Q154 PolarHBondContact O-N 2.96Å
155R96.8Very high97Very high133 Ų13353.7 Ų53.750%0.50230%0.302SS..Hα-helixtrans-72.5-36.3-179.9-168.8179.9-177.9161.23.1112.7N127 S151 I152N127-R155 PolarHBondContact OD1-NH2 2.96Å; S151-R155 VanDerWaalsContact O-CB 3.24Å; S151-R155 WeakPolarHBondContact O-CB 3.06Å; S151-R155 PolarHBondContact O-N 3.23Å; S151-R155 VanDerWaalsContact O-N 3.08Å; I152-R155 PolarHBondContact O-N 3.42Å
156F97.2Very high97Very high7 Ų756.4 Ų56.43%0.03131%0.312CS..  trans-13168.5-175.5-50.2-51.8000111.1L126 L129 K130 I152 A153 V158 L159L126-F156 HydrophobicContact CD1-CE2 4Å; L126-F156 HydrophobicContact CG-CE2 4.09Å; L126-F156 HydrophobicContact CG-CZ 4.38Å; L129-F156 HydrophobicContact CB-CD2 4.22Å; L129-F156 HydrophobicContact CB-CE2 4Å; L129-F156 HydrophobicContact CB-CZ 4.5Å; L129-F156 HydrophobicContact CD2-CD2 3.86Å; L129-F156 HydrophobicContact CD2-CE2 4.02Å; L129-F156 HydrophobicContact CG-CD2 4.08Å; L129-F156 HydrophobicContact CG-CE2 4.3Å; K130-F156 HydrophobicContact CB-CD1 3.63Å; K130-F156 HydrophobicContact CB-CE1 3.78Å; K130-F156 HydrophobicContact CG-CD1 4.23Å; I152-F156 HydrophobicContact CG2-CD2 4.17Å; I152-F156 PolarHBondContact O-N 2.96Å; A153-F156 CarbonylContact O-C 3.44Å; F156-V158 PolarHBondContact O-N 3.3Å; F156-L159 HydrophobicContact CB-CD1 3.68Å; F156-L159 HydrophobicContact CB-CG 4.04Å; F156-L159 HydrophobicContact CD2-CD1 4.23Å; F156-L159 HydrophobicContact CG-CD1 4.42Å; F156-L159 WeakPolarHBondContact O-CB 3.43Å; F156-L159 WeakPolarHBondContact O-CG 2.91Å; F156-L159 PolarHBondContact O-N 2.9Å
157P97.6Very high96.9Very high81 Ų8155.4 Ų55.453%0.52631%0.305SS..THydrogen-bonded Turntrans-61.8-20.3-172.823.5-35000114.3A153 L159 V160A153-P157 WeakPolarHBondContact O-CA 3.41Å; P157-L159 PolarHBondContact O-N 2.8Å; P157-V160 WeakPolarHBondContact O-CB 3.24Å; P157-V160 PolarHBondContact O-N 2.04Å
158V98Very high96.9Very high13 Ų1353.5 Ų53.58%0.07930%0.297CS..Hα-helixtrans-59-30.5173.568.10000112.5E134 Y137 F156 V160 K161 V162E134-V158 HydrophobicContact CG-CG1 4.48Å; Y137-V158 HydrophobicContact CD2-CG2 4.45Å; Y137-V158 HydrophobicContact CG-CG2 4.09Å; F156-V158 PolarHBondContact O-N 3.3Å; V158-V160 VanDerWaalsContact C-N 3.25Å; V158-V160 PolarHBondContact O-N 3.46Å; V158-K161 WeakPolarHBondContact O-CB 3.23Å; V158-K161 PolarHBondContact O-N 3.03Å; V158-V162 WeakPolarHBondContact O-CG2 3.09Å; V158-V162 PolarHBondContact O-N 2.83Å
159L98.2Very high96.9Very high0 Ų058.5 Ų58.50%032%0.316CS..Hα-helixtrans-63.9-32.3178.7-63.5172.7000112.2F59 L129 I152 F156 P157 K161 V162 L163F59-L159 HydrophobicContact CD2-CD1 4.46Å; F59-L159 HydrophobicContact CE2-CD1 3.79Å; F59-L159 HydrophobicContact CZ-CD1 3.95Å; F59-L159 HydrophobicContact CZ-CD2 4.12Å; L129-L159 HydrophobicContact CD1-CD1 4.38Å; L129-L159 HydrophobicContact CD1-CD2 4.19Å; L129-L159 HydrophobicContact CD2-CD1 3.83Å; L129-L159 HydrophobicContact CG-CD1 3.92Å; L129-L159 HydrophobicContact CG-CD2 4.46Å; I152-L159 HydrophobicContact CG2-CD1 3.77Å; F156-L159 HydrophobicContact CB-CD1 3.68Å; F156-L159 HydrophobicContact CB-CG 4.04Å; F156-L159 HydrophobicContact CD2-CD1 4.23Å; F156-L159 HydrophobicContact CG-CD1 4.42Å; F156-L159 WeakPolarHBondContact O-CB 3.43Å; F156-L159 WeakPolarHBondContact O-CG 2.91Å; F156-L159 PolarHBondContact O-N 2.9Å; P157-L159 PolarHBondContact O-N 2.8Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-V162 PolarHBondContact O-N 2.92Å; L159-L163 WeakPolarHBondContact O-CB 3.18Å; L159-L163 PolarHBondContact O-N 2.82Å
160V97.8Very high96.9Very high67 Ų6763.1 Ų63.141%0.40634%0.344SS..Hα-helixtrans-66.3-38.5174.8-177.10000110.4A153 P157 V158 L163 V164A153-V160 HydrophobicContact CB-CG2 3.89Å; P157-V160 WeakPolarHBondContact O-CB 3.24Å; P157-V160 PolarHBondContact O-N 2.04Å; V158-V160 VanDerWaalsContact C-N 3.25Å; V158-V160 PolarHBondContact O-N 3.46Å; V160-L163 WeakPolarHBondContact O-CB 3.14Å; V160-L163 PolarHBondContact O-N 2.88Å; V160-V164 PolarHBondContact O-N 2.78Å
161K97.9Very high97Very high96 Ų9660.6 Ų60.642%0.41734%0.341SS..Hα-helixtrans-65-41.2174.2-61.7-176.6177.6179.30111.8Y137 V158 L159 L163 V164 G165 E166Y137-K161 HydrophobicContact CD2-CB 3.84Å; Y137-K161 HydrophobicContact CD2-CD 4.36Å; Y137-K161 HydrophobicContact CE2-CB 3.96Å; Y137-K161 HydrophobicContact CE2-CD 3.92Å; V158-K161 WeakPolarHBondContact O-CB 3.23Å; V158-K161 PolarHBondContact O-N 3.03Å; L159-K161 VanDerWaalsContact C-N 3.32Å; K161-L163 VanDerWaalsContact C-N 3.32Å; K161-L163 PolarHBondContact O-N 3.48Å; K161-V164 WeakPolarHBondContact O-CG2 3.05Å; K161-V164 PolarHBondContact O-N 3.3Å; K161-G165 PolarHBondContact O-N 3.41Å; K161-E166 HydrophobicContact CB-CB 4.1Å; K161-E166 WeakPolarHBondContact O-CB 3.4Å; K161-E166 PolarHBondContact O-N 3.02Å
162V98.3Very high97.1Very high0 Ų060.7 Ų60.70%034%0.34CS..Hα-helixtrans-60.7-43.8174.7177.50000110.7M61 G133 L136 P141 V143 V158 L159 V164 G165M61-V162 HydrophobicContact CE-CB 4.26Å; M61-V162 HydrophobicContact CE-CG1 3.92Å; M61-V162 HydrophobicContact SD-CG1 3.65Å; G133-V162 WeakPolarHBondContact O-CG2 3.45Å; L136-V162 HydrophobicContact CB-CG1 3.89Å; L136-V162 HydrophobicContact CB-CG2 3.96Å; L136-V162 HydrophobicContact CD1-CG1 4.45Å; P141-V162 HydrophobicContact CG-CG1 4.12Å; V143-V162 HydrophobicContact CG2-CG1 4.29Å; V158-V162 WeakPolarHBondContact O-CG2 3.09Å; V158-V162 PolarHBondContact O-N 2.83Å; L159-V162 PolarHBondContact O-N 2.92Å; V162-V164 VanDerWaalsContact C-N 3.28Å; V162-V164 PolarHBondContact O-N 3.2Å; V162-G165 PolarHBondContact O-N 3.17Å
163L97.2Very high97.1Very high76 Ų7662.2 Ų62.240%0.39835%0.346SS..Hα-helixtrans-58-38-179-175.861.7000112.8V143 A146 V148 L159 V160 K161 G165V143-L163 HydrophobicContact CB-CD1 4.49Å; V143-L163 HydrophobicContact CG1-CD1 3.8Å; A146-L163 HydrophobicContact CB-CD1 3.63Å; V148-L163 HydrophobicContact CG2-CD2 4.34Å; L159-L163 WeakPolarHBondContact O-CB 3.18Å; L159-L163 PolarHBondContact O-N 2.82Å; V160-L163 WeakPolarHBondContact O-CB 3.14Å; V160-L163 PolarHBondContact O-N 2.88Å; K161-L163 VanDerWaalsContact C-N 3.32Å; K161-L163 PolarHBondContact O-N 3.48Å; L163-G165 VanDerWaalsContact C-N 3.33Å
164V95.7Very high97.2Very high99 Ų9962.1 Ų62.160%0.634%0.344SS*.THydrogen-bonded Turntrans-89.47178.6-59.20000113.8V160 K161 V162 E166V160-V164 PolarHBondContact O-N 2.78Å; K161-V164 WeakPolarHBondContact O-CG2 3.05Å; K161-V164 PolarHBondContact O-N 3.3Å; V162-V164 VanDerWaalsContact C-N 3.28Å; V162-V164 PolarHBondContact O-N 3.2Å; V164-E166 HydrophobicContact CG2-CB 4.45Å; V164-E166 HydrophobicContact CG2-CG 3.93Å
165G95.8Very high97.3Very high38 Ų3857.8 Ų57.839%0.39232%0.321SS..THydrogen-bonded Turntrans70.928.5177.800000114.1S140 K161 V162 L163S140-G165 PolarHBondContact OG-O 2.89Å; K161-G165 PolarHBondContact O-N 3.41Å; V162-G165 PolarHBondContact O-N 3.17Å; L163-G165 VanDerWaalsContact C-N 3.33Å
166E96.5Very high97.4Very high72 Ų7255.4 Ų55.434%0.33632%0.318SS..  trans-75160.4169.8-79.6-173.9-141.700112Y137 K161 V164Y137-E166 HydrophobicContact CD2-CB 4.41Å; Y137-E166 HydrophobicContact CE2-CB 3.87Å; K161-E166 HydrophobicContact CB-CB 4.1Å; K161-E166 WeakPolarHBondContact O-CB 3.4Å; K161-E166 PolarHBondContact O-N 3.02Å; V164-E166 HydrophobicContact CG2-CB 4.45Å; V164-E166 HydrophobicContact CG2-CG 3.93Å
167G96.4Very high97.4Very high14 Ų1455.5 Ų55.514%0.14432%0.32CS..  trans-157.7179.6171.400000111.7Y137 K169Y137-G167 WeakPolarHBondContact O-CA 3.33Å; Y137-G167 VanDerWaalsContact OH-C 3.31Å; Y137-G167 PolarHBondContact OH-O 3.18Å; Y137-G167 VanDerWaalsContact OH-O 3.05Å; G167-K169 PolarHBondContact O-N 3.27Å
168P97.1Very high97.4Very high6 Ų658.9 Ų58.94%0.03933%0.326CS..  trans-56.6133.8-169.522.1-34.8000112.3Y137 Y138 F173 K195Y137-P168 HydrophobicContact CE1-CB 4.23Å; Y137-P168 WeakPolarHBondContact O-CD 2.96Å; Y138-P168 HydrophobicContact CD1-CB 4.41Å; Y138-P168 HydrophobicContact CD1-CG 3.8Å; Y138-P168 HydrophobicContact CE1-CB 4.09Å; Y138-P168 HydrophobicContact CE1-CG 3.96Å; Y138-P168 HydrophobicContact CG-CG 4.14Å; P168-F173 HydrophobicContact CB-CD1 4.16Å; P168-F173 HydrophobicContact CG-CD1 4.14Å; P168-K195 PolarHBondContact O-NZ 2.71Å
169K96.5Very high97.4Very high141 Ų14158.4 Ų58.461%0.61332%0.323SS*.SBendtrans-89.3-30.5177.8-57.3-57.9-178.6177.50112.1G167G167-K169 PolarHBondContact O-N 3.27Å
170T96.6Very high97.4Very high109 Ų10965.3 Ų65.367%0.66935%0.349SS*.SBendtrans-114.3155.8-179.751.40000111.9F173T170-F173 WeakPolarHBondContact O-CD1 3.47Å; T170-F173 VanDerWaalsContact O-CE1 3.25Å; T170-F173 WeakPolarHBondContact O-CE1 3.48Å
171A97.1Very high97.4Very high71 Ų7162.5 Ų62.559%0.58733%0.333SS*.THydrogen-bonded Turntrans-57.6152.4171.700000110.6F173A171-F173 HydrophobicContact CB-CD2 4.35Å; A171-F173 HydrophobicContact CB-CE2 4.2Å
172P97Very high97.5Very high80 Ų8059.9 Ų59.952%0.51933%0.329SS..THydrogen-bonded Turncis-88.82.721.233.8-36.6000116.2V174P172-V174 HydrophobicContact CB-CG2 4.05Å; P172-V174 HydrophobicContact CG-CG2 4.39Å; P172-V174 PolarHBondContact O-N 2.98Å
173F98.5Very high97.4Very high43 Ų4362.3 Ų62.319%0.18935%0.353CS..  trans586-178.6-59-49.8000115.9P168 T170 A171 S193 K195 W196P168-F173 HydrophobicContact CB-CD1 4.16Å; P168-F173 HydrophobicContact CG-CD1 4.14Å; T170-F173 WeakPolarHBondContact O-CD1 3.47Å; T170-F173 VanDerWaalsContact O-CE1 3.25Å; T170-F173 WeakPolarHBondContact O-CE1 3.48Å; A171-F173 HydrophobicContact CB-CD2 4.35Å; A171-F173 HydrophobicContact CB-CE2 4.2Å; F173-S193 WeakPolarHBondContact CB-OG 3.38Å; F173-S193 PolarHBondContact O-N 2.62Å; F173-S193 PolarHBondContact O-OG 3.31Å; F173-K195 HydrophobicContact CB-CB 4.27Å; F173-K195 HydrophobicContact CD1-CB 3.76Å; F173-K195 HydrophobicContact CD1-CD 3.8Å; F173-K195 HydrophobicContact CD1-CG 4.45Å; F173-K195 HydrophobicContact CD2-CB 3.79Å; F173-K195 HydrophobicContact CE1-CB 4Å; F173-K195 HydrophobicContact CE1-CD 3.37Å; F173-K195 HydrophobicContact CE1-CG 4.37Å; F173-K195 HydrophobicContact CE2-CB 4.02Å; F173-K195 HydrophobicContact CE2-CD 4.43Å; F173-K195 HydrophobicContact CG-CB 3.67Å; F173-K195 HydrophobicContact CZ-CB 4.13Å; F173-K195 HydrophobicContact CZ-CD 3.74Å; F173-W196 HydrophobicContact CB-CB 3.96Å
174V98.6Very high97.4Very high18 Ų1860 Ų6011%0.10935%0.349CS..EExtended strand (participates in β ladder)trans-127.4154.4171.2-68.70000109.8Y138 P172 A191 K192 W196 L204Y138-V174 VanDerWaalsContact CD1-C 3.46Å; Y138-V174 VanDerWaalsContact CE1-C 3.43Å; Y138-V174 WeakPolarHBondContact CE1-O 3.33Å; P172-V174 HydrophobicContact CB-CG2 4.05Å; P172-V174 HydrophobicContact CG-CG2 4.39Å; P172-V174 PolarHBondContact O-N 2.98Å; V174-A191 CarbonylContact C-O 3.55Å; V174-A191 WeakPolarHBondContact CA-O 3.11Å; V174-A191 WeakPolarHBondContact CB-O 3.48Å; V174-K192 HydrophobicContact CG1-CB 3.96Å; V174-W196 HydrophobicContact CG1-CB 4.09Å; V174-W196 VanDerWaalsContact CG1-CD1 3.42Å; V174-W196 HydrophobicContact CG1-CD2 3.48Å; V174-W196 VanDerWaalsContact CG1-CD2 3.48Å; V174-W196 HydrophobicContact CG1-CE3 4.22Å; V174-W196 HydrophobicContact CG1-CG 3.42Å; V174-W196 VanDerWaalsContact CG1-CG 3.42Å; V174-W196 HydrophobicContact CG1-CZ2 4.22Å; V174-L204 HydrophobicContact CB-CD1 4.32Å; V174-L204 HydrophobicContact CB-CD2 4.24Å; V174-L204 HydrophobicContact CG1-CD1 4.36Å; V174-L204 HydrophobicContact CG1-CD2 4.01Å; V174-L204 HydrophobicContact CG2-CD1 4.26Å
175R98.4Very high97.4Very high50 Ų5058.4 Ų58.419%0.18934%0.335CS..EExtended strand (participates in β ladder)trans-142.8131.6175.7-166176.2-178.2-73.2-1.4110.4E131 Q135 Y138 A191E131-R175 IonicContact OE1-CZ 3.51Å; E131-R175 IonicContact OE1-NH1 3.41Å; E131-R175 PolarHBondContact OE1-NH1 2.8Å; E131-R175 IonicContact OE1-NH2 2.75Å; E131-R175 PolarHBondContact OE1-NH2 3.04Å; E131-R175 IonicContact OE2-CZ 3.02Å; E131-R175 IonicContact OE2-NH1 2.61Å; E131-R175 IonicContact OE2-NH2 3.66Å; E131-R175 PolarHBondContact OE2-NH2 3.3Å; Q135-R175 PolarHBondContact OE1-O 3.2Å; Y138-R175 HydrophobicContact CD1-CB 3.67Å; Y138-R175 HydrophobicContact CD2-CB 3.83Å; Y138-R175 HydrophobicContact CD2-CG 4.34Å; Y138-R175 HydrophobicContact CE1-CB 3.84Å; Y138-R175 HydrophobicContact CE2-CB 4.01Å; Y138-R175 HydrophobicContact CE2-CG 4.24Å; Y138-R175 HydrophobicContact CG-CB 3.65Å; R175-A191 PolarHBondContact N-O 2.76Å; R175-A191 PolarHBondContact O-N 3.23Å
176L98.4Very high97.5Very high83 Ų8359.2 Ų59.244%0.43533%0.332SS..EExtended strand (participates in β ladder)trans-110.7132.5175.1-71.369.8000108.3H189 F190 L204L176-H189 WeakPolarHBondContact CA-O 3.16Å; L176-F190 HydrophobicContact CD1-CD1 4.49Å; L176-F190 HydrophobicContact CD2-CD1 3.91Å; L176-F190 HydrophobicContact CD2-CE1 3.58Å; L176-F190 HydrophobicContact CG-CD1 3.7Å; L176-F190 HydrophobicContact CG-CE1 3.88Å; L176-L204 HydrophobicContact CD1-CD1 3.9Å
177A98.2Very high97.6Very high8 Ų856.7 Ų56.77%0.06632%0.319CS..EExtended strand (participates in β ladder)trans-135.4150.2176.200000112.3E131 Q135 I179 H188 H189E131-A177 HydrophobicContact CG-CB 3.93Å; E131-A177 WeakPolarHBondContact OE1-CB 3.44Å; Q135-A177 HydrophobicContact CG-CB 4.26Å; A177-I179 HydrophobicContact CB-CG2 4.34Å; A177-H188 CarbonylContact O-C 3.51Å; A177-H188 VanDerWaalsContact O-CA 3.26Å; A177-H188 WeakPolarHBondContact O-CA 3.46Å; A177-H189 PolarHBondContact N-O 2.97Å; A177-H189 PolarHBondContact O-N 3.35Å
178K98.1Very high97.7Very high152 Ų15258 Ų5866%0.66132%0.322SS*.EExtended strand (participates in β ladder)trans-97.6121.6159.4-63.5-176.6-171.7179.60108V186 F187K178-V186 HydrophobicContact CB-CG1 4.37Å; K178-F187 CarbonylContact C-O 3.52Å; K178-F187 VanDerWaalsContact CA-O 3.28Å; K178-F187 WeakPolarHBondContact CA-O 3.32Å
179I97.7Very high97.8Very high3 Ų357.9 Ų57.92%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-115.7139.2174.263.4-173.9000108.7W92 F124 T128 E131 A177 F187 H189W92-I179 HydrophobicContact CE3-CD1 4.22Å; W92-I179 HydrophobicContact CZ3-CD1 3.86Å; F124-I179 HydrophobicContact CE1-CB 4.2Å; F124-I179 HydrophobicContact CE1-CD1 4.18Å; F124-I179 HydrophobicContact CE1-CG1 4.07Å; F124-I179 HydrophobicContact CZ-CD1 3.67Å; F124-I179 HydrophobicContact CZ-CG1 4.03Å; T128-I179 HydrophobicContact CG2-CB 4.09Å; T128-I179 HydrophobicContact CG2-CG2 4.34Å; E131-I179 HydrophobicContact CB-CG2 4.22Å; E131-I179 HydrophobicContact CG-CG2 3.66Å; A177-I179 HydrophobicContact CB-CG2 4.34Å; I179-F187 HydrophobicContact CD1-CB 4.36Å; I179-F187 HydrophobicContact CG1-CB 3.71Å; I179-F187 PolarHBondContact N-O 3.28Å; I179-F187 PolarHBondContact O-N 3.11Å; I179-H189 HydrophobicContact CD1-CB 4.46Å
180R98.2Very high97.9Very high146 Ų14651.4 Ų51.455%0.55129%0.293SS*.EExtended strand (participates in β ladder)trans-112.2127.9-178.1-167.8-179.8-71.8-92.67.7109.7F124 G184 E185 V186F124-R180 VanDerWaalsContact CD1-O 3.23Å; F124-R180 WeakPolarHBondContact CD1-O 3.24Å; R180-G184 PolarHBondContact NH1-O 3.34Å; R180-E185 CarbonylContact C-O 3.58Å; R180-E185 VanDerWaalsContact CA-O 3.27Å; R180-E185 WeakPolarHBondContact CA-O 3.5Å; R180-E185 WeakPolarHBondContact CG-O 3.4Å; R180-V186 VanDerWaalsContact CZ-CG2 3.47Å
181S98.4Very high98Very high8 Ų846.2 Ų46.26%0.05626%0.261CS..  trans-62.2165.7173.265.20000111T123 G183 G184 E185T123-S181 CarbonylContact O-C 3.55Å; T123-S181 VanDerWaalsContact O-CA 3.25Å; T123-S181 WeakPolarHBondContact O-CA 3.4Å; T123-S181 VanDerWaalsContact O-CB 3.32Å; T123-S181 WeakPolarHBondContact O-CB 3.18Å; S181-G183 PolarHBondContact O-N 3.21Å; S181-G183 PolarHBondContact OG-N 3.37Å; S181-G184 PolarHBondContact O-N 2.89Å; S181-G184 VanDerWaalsContact O-N 3.12Å; S181-G184 PolarHBondContact OG-N 2.95Å; S181-G184 VanDerWaalsContact OG-N 3.16Å; S181-E185 PolarHBondContact N-O 3.35Å; S181-E185 PolarHBondContact OG-N 2.9Å; S181-E185 PolarHBondContact OG-OE2 3.24Å
182A98.1Very high98.1Very high41 Ų4142.9 Ų42.934%0.33923%0.233SC..THydrogen-bonded Turntrans-59.9-28.7169.200000112.5L89 T123 G184L89-A182 HydrophobicContact CD2-CB 3.84Å; T123-A182 HydrophobicContact CG2-CB 4.04Å; T123-A182 PolarHBondContact O-N 3.41Å; A182-G184 VanDerWaalsContact C-N 3.32Å
183G96.6Very high98.1Very high50 Ų5039.4 Ų39.452%0.51521%0.21SC..THydrogen-bonded Turntrans-80.9-4.6176.700000115.1S181S181-G183 PolarHBondContact O-N 3.21Å; S181-G183 PolarHBondContact OG-N 3.37Å
184G96.8Very high98Very high29 Ų2942.3 Ų42.330%0.29922%0.223SC..SBendtrans94.9-2.5176.500000115.5R180 S181 A182R180-G184 PolarHBondContact NH1-O 3.34Å; S181-G184 PolarHBondContact O-N 2.89Å; S181-G184 VanDerWaalsContact O-N 3.12Å; S181-G184 PolarHBondContact OG-N 2.95Å; S181-G184 VanDerWaalsContact OG-N 3.16Å; A182-G184 VanDerWaalsContact C-N 3.32Å
185E97.3Very high98Very high65 Ų6546.1 Ų46.130%0.30424%0.238SC..  trans-67.3139.8175.2-66.768.8-143.900111.4K23 R180 S181 F187K23-E185 VanDerWaalsContact CD-OE1 3.31Å; K23-E185 WeakPolarHBondContact CD-OE1 3.28Å; K23-E185 WeakPolarHBondContact CE-OE1 3.2Å; K23-E185 IonicContact NZ-OE1 2.6Å; K23-E185 PolarHBondContact NZ-OE1 2.89Å; R180-E185 CarbonylContact C-O 3.58Å; R180-E185 VanDerWaalsContact CA-O 3.27Å; R180-E185 WeakPolarHBondContact CA-O 3.5Å; R180-E185 WeakPolarHBondContact CG-O 3.4Å; S181-E185 PolarHBondContact N-O 3.35Å; S181-E185 PolarHBondContact OG-N 2.9Å; S181-E185 PolarHBondContact OG-OE2 3.24Å; E185-F187 HydrophobicContact CB-CD2 4.39Å; E185-F187 HydrophobicContact CB-CE2 3.63Å; E185-F187 HydrophobicContact CB-CZ 4.12Å
186V98Very high98Very high54 Ų5445.6 Ų45.633%0.32724%0.236SC..EExtended strand (participates in β ladder)trans-97.7126.4177.9-179.20000109.9K178 R180K178-V186 HydrophobicContact CB-CG1 4.37Å; R180-V186 VanDerWaalsContact CZ-CG2 3.47Å
187F98.5Very high97.9Very high19 Ų1943.4 Ų43.48%0.08323%0.234CC..EExtended strand (participates in β ladder)trans-115.5149.6173.5-60.7-96.2000109.4I122 K178 I179 E185 V288 C289 F290I122-F187 HydrophobicContact CD1-CD1 3.69Å; I122-F187 HydrophobicContact CD1-CD2 4.25Å; I122-F187 HydrophobicContact CD1-CE1 3.68Å; I122-F187 HydrophobicContact CD1-CE2 4.24Å; I122-F187 HydrophobicContact CD1-CG 4Å; I122-F187 HydrophobicContact CD1-CZ 3.97Å; I122-F187 HydrophobicContact CG1-CE1 4.12Å; I122-F187 HydrophobicContact CG1-CZ 4.07Å; I122-F187 HydrophobicContact CG2-CD2 4.28Å; I122-F187 HydrophobicContact CG2-CE2 3.73Å; I122-F187 HydrophobicContact CG2-CZ 4Å; K178-F187 CarbonylContact C-O 3.52Å; K178-F187 VanDerWaalsContact CA-O 3.28Å; K178-F187 WeakPolarHBondContact CA-O 3.32Å; I179-F187 HydrophobicContact CD1-CB 4.36Å; I179-F187 HydrophobicContact CG1-CB 3.71Å; I179-F187 PolarHBondContact N-O 3.28Å; I179-F187 PolarHBondContact O-N 3.11Å; E185-F187 HydrophobicContact CB-CD2 4.39Å; E185-F187 HydrophobicContact CB-CE2 3.63Å; E185-F187 HydrophobicContact CB-CZ 4.12Å; F187-V288 HydrophobicContact CB-CG1 3.81Å; F187-V288 HydrophobicContact CD1-CG1 3.56Å; F187-V288 HydrophobicContact CG-CG1 4.08Å; F187-C289 CarbonylContact C-O 3.47Å; F187-F290 HydrophobicContact CD1-CB 3.57Å; F187-F290 AromaticContact CD1-CD1 3.8Å; F187-F290 HydrophobicContact CD1-CD1 3.8Å; F187-F290 AromaticContact CD1-CG 3.88Å; F187-F290 HydrophobicContact CD1-CG 3.88Å; F187-F290 HydrophobicContact CE1-CB 3.86Å; F187-F290 AromaticContact CE1-CD1 3.76Å; F187-F290 HydrophobicContact CE1-CD1 3.76Å; F187-F290 HydrophobicContact CE1-CD2 4.46Å; F187-F290 HydrophobicContact CE1-CE1 4.45Å; F187-F290 AromaticContact CE1-CG 3.77Å; F187-F290 HydrophobicContact CE1-CG 3.77Å; F187-F290 HydrophobicContact CG-CB 4.31Å
188H98.4Very high97.8Very high43 Ų4348.2 Ų48.220%0.19925%0.253CS..EExtended strand (participates in β ladder)trans-112.5116.7174.7-65.2-106.3000108.4A177 F190 F268 V288 C289A177-H188 CarbonylContact O-C 3.51Å; A177-H188 VanDerWaalsContact O-CA 3.26Å; A177-H188 WeakPolarHBondContact O-CA 3.46Å; H188-F190 HydrophobicContact CB-CE2 3.98Å; H188-F190 HydrophobicContact CB-CZ 4.47Å; H188-F268 AromaticContact CD2-CE1 3.86Å; H188-V288 CarbonylContact O-C 3.55Å; H188-V288 WeakPolarHBondContact O-CA 3.07Å; H188-C289 HydrophobicContact CB-CB 4.42Å; H188-C289 PolarHBondContact N-O 3.19Å; H188-C289 PolarHBondContact O-N 3.39Å
189H98.7Very high97.8Very high3 Ų341.6 Ų41.61%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-100.8129.9174.2-168.5-104.2000110.6W92 Q135 L176 A177 I179 T287 V288W92-H189 AromaticContact CH2-CD2 3.93Å; W92-H189 AromaticContact CH2-NE2 3.8Å; Q135-H189 WeakPolarHBondContact CB-ND1 3.38Å; Q135-H189 HydrophobicContact CG-CB 4.27Å; Q135-H189 WeakPolarHBondContact CG-ND1 3.31Å; Q135-H189 PolarHBondContact OE1-ND1 2.61Å; L176-H189 WeakPolarHBondContact CA-O 3.16Å; A177-H189 PolarHBondContact N-O 2.97Å; A177-H189 PolarHBondContact O-N 3.35Å; I179-H189 HydrophobicContact CD1-CB 4.46Å; H189-T287 PolarHBondContact CD2-O 2.86Å; H189-V288 VanDerWaalsContact CD2-CG2 3.45Å; H189-V288 WeakPolarHBondContact CD2-CG2 3.44Å
190F98.8Very high97.8Very high5 Ų541.5 Ų41.52%0.02222%0.224CC..EExtended strand (participates in β ladder)trans-108.5110.4173.4-62.2-91.6000108.3L176 H188 L200 L204 V205 L209 G286 T287 C289L176-F190 HydrophobicContact CD1-CD1 4.49Å; L176-F190 HydrophobicContact CD2-CD1 3.91Å; L176-F190 HydrophobicContact CD2-CE1 3.58Å; L176-F190 HydrophobicContact CG-CD1 3.7Å; L176-F190 HydrophobicContact CG-CE1 3.88Å; H188-F190 HydrophobicContact CB-CE2 3.98Å; H188-F190 HydrophobicContact CB-CZ 4.47Å; F190-L200 HydrophobicContact CB-CD1 4.47Å; F190-L204 HydrophobicContact CB-CD2 4.1Å; F190-L204 HydrophobicContact CD1-CD2 4.32Å; F190-L204 HydrophobicContact CD1-CG 4.08Å; F190-V205 HydrophobicContact CB-CG2 4.12Å; F190-V205 HydrophobicContact CD1-CG2 4.31Å; F190-V205 HydrophobicContact CD2-CG1 4.34Å; F190-V205 HydrophobicContact CD2-CG2 4.13Å; F190-V205 HydrophobicContact CE2-CG1 4.17Å; F190-V205 HydrophobicContact CG-CG2 3.93Å; F190-V205 HydrophobicContact CZ-CG1 4.46Å; F190-L209 HydrophobicContact CE2-CD1 4.4Å; F190-L209 HydrophobicContact CE2-CD2 4.38Å; F190-L209 HydrophobicContact CE2-CG 4.34Å; F190-L209 HydrophobicContact CZ-CD1 4.37Å; F190-L209 HydrophobicContact CZ-CD2 3.84Å; F190-L209 HydrophobicContact CZ-CG 3.82Å; F190-G286 CarbonylContact O-C 3.59Å; F190-G286 WeakPolarHBondContact O-CA 3.03Å; F190-T287 HydrophobicContact CB-CG2 4.26Å; F190-T287 HydrophobicContact CD2-CG2 4.21Å; F190-T287 PolarHBondContact N-O 3.42Å; F190-T287 PolarHBondContact O-N 2.86Å; F190-C289 HydrophobicContact CE2-CB 4.1Å
191A98.7Very high97.8Very high0 Ų034.5 Ų34.50%020%0.198CC..EExtended strand (participates in β ladder)trans-106.1139.3172.700000111.3N139 V174 R175N139-A191 WeakPolarHBondContact ND2-CB 3.08Å; V174-A191 CarbonylContact C-O 3.55Å; V174-A191 WeakPolarHBondContact CA-O 3.11Å; V174-A191 WeakPolarHBondContact CB-O 3.48Å; R175-A191 PolarHBondContact N-O 2.76Å; R175-A191 PolarHBondContact O-N 3.23Å
192K98.6Very high97.8Very high1 Ų134.5 Ų34.50%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-120.9147.6162.973.8-174.6-129.5174.30110.3Y138 N139 V174 W196 K198 L200 Q280 I281 R283 G284 G285Y138-K192 CarbonylContact O-C 3.55Å; N139-K192 PolarHBondContact ND2-O 3.36Å; V174-K192 HydrophobicContact CG1-CB 3.96Å; K192-W196 HydrophobicContact CB-CB 4.43Å; K192-W196 HydrophobicContact CB-CD2 4.32Å; K192-W196 HydrophobicContact CB-CE3 3.79Å; K192-W196 HydrophobicContact CB-CZ3 4.37Å; K192-W196 HydrophobicContact CD-CE3 3.67Å; K192-W196 HydrophobicContact CD-CZ3 3.81Å; K192-W196 HydrophobicContact CG-CE3 4.3Å; K192-K198 PolarHBondContact NZ-O 3.17Å; K192-L200 HydrophobicContact CD-CB 4.19Å; K192-L200 HydrophobicContact CD-CD1 4.15Å; K192-L200 HydrophobicContact CG-CD1 4.47Å; K192-Q280 WeakPolarHBondContact CE-O 3.19Å; K192-Q280 PolarHBondContact NZ-O 3.31Å; K192-I281 PolarHBondContact NZ-O 2.79Å; K192-R283 WeakPolarHBondContact CE-O 3.2Å; K192-G284 VanDerWaalsContact O-CA 3.24Å; K192-G284 WeakPolarHBondContact O-CA 3.21Å; K192-G285 WeakPolarHBondContact CG-O 3.31Å; K192-G285 PolarHBondContact N-O 2.6Å; K192-G285 PolarHBondContact O-N 2.97Å
193S98.1Very high97.7Very high6 Ų636 Ų364%0.04220%0.2CC..  trans-93.5163.4164.980.10000110.6Y138 F173 K195 W196Y138-S193 WeakPolarHBondContact O-CA 3.47Å; Y138-S193 WeakPolarHBondContact O-CB 3.22Å; Y138-S193 PolarHBondContact O-N 3.11Å; F173-S193 WeakPolarHBondContact CB-OG 3.38Å; F173-S193 PolarHBondContact O-N 2.62Å; F173-S193 PolarHBondContact O-OG 3.31Å; S193-K195 PolarHBondContact O-N 2.94Å; S193-K195 PolarHBondContact OG-N 3.18Å; S193-W196 WeakPolarHBondContact O-CB 3.49Å; S193-W196 PolarHBondContact O-N 3.37Å; S193-W196 VanDerWaalsContact O-N 3.11Å
194K96.7Very high97.8Very high104 Ų10434.1 Ų34.145%0.45218%0.178SC..THydrogen-bonded Turntrans-57-20.4173.863.3-177.8174.8-167.20114.7K75 N282K75-K194 PolarHBondContact O-NZ 3.31Å; K194-N282 VanDerWaalsContact CB-O 3.28Å; K194-N282 WeakPolarHBondContact CB-O 3.26Å
195K97.3Very high97.9Very high98 Ų9832.8 Ų32.843%0.42616%0.164SC..THydrogen-bonded Turntrans-81.5-13.1-179.9-66.1-179.7176.8176.10113.9P168 F173 S193P168-K195 PolarHBondContact O-NZ 2.71Å; F173-K195 HydrophobicContact CB-CB 4.27Å; F173-K195 HydrophobicContact CD1-CB 3.76Å; F173-K195 HydrophobicContact CD1-CD 3.8Å; F173-K195 HydrophobicContact CD1-CG 4.45Å; F173-K195 HydrophobicContact CD2-CB 3.79Å; F173-K195 HydrophobicContact CE1-CB 4Å; F173-K195 HydrophobicContact CE1-CD 3.37Å; F173-K195 HydrophobicContact CE1-CG 4.37Å; F173-K195 HydrophobicContact CE2-CB 4.02Å; F173-K195 HydrophobicContact CE2-CD 4.43Å; F173-K195 HydrophobicContact CG-CB 3.67Å; F173-K195 HydrophobicContact CZ-CB 4.13Å; F173-K195 HydrophobicContact CZ-CD 3.74Å; S193-K195 PolarHBondContact O-N 2.94Å; S193-K195 PolarHBondContact OG-N 3.18Å
196W97.9Very high97.9Very high39 Ų3929.7 Ų29.715%0.14815%0.149CC..SBendtrans-71-34.9-176.5179.659.8000112.9F173 V174 K192 S193 K198 E199 D203 L204F173-W196 HydrophobicContact CB-CB 3.96Å; V174-W196 HydrophobicContact CG1-CB 4.09Å; V174-W196 VanDerWaalsContact CG1-CD1 3.42Å; V174-W196 HydrophobicContact CG1-CD2 3.48Å; V174-W196 VanDerWaalsContact CG1-CD2 3.48Å; V174-W196 HydrophobicContact CG1-CE3 4.22Å; V174-W196 HydrophobicContact CG1-CG 3.42Å; V174-W196 VanDerWaalsContact CG1-CG 3.42Å; V174-W196 HydrophobicContact CG1-CZ2 4.22Å; K192-W196 HydrophobicContact CB-CB 4.43Å; K192-W196 HydrophobicContact CB-CD2 4.32Å; K192-W196 HydrophobicContact CB-CE3 3.79Å; K192-W196 HydrophobicContact CB-CZ3 4.37Å; K192-W196 HydrophobicContact CD-CE3 3.67Å; K192-W196 HydrophobicContact CD-CZ3 3.81Å; K192-W196 HydrophobicContact CG-CE3 4.3Å; S193-W196 WeakPolarHBondContact O-CB 3.49Å; S193-W196 PolarHBondContact O-N 3.37Å; S193-W196 VanDerWaalsContact O-N 3.11Å; W196-K198 VanDerWaalsContact C-N 3.35Å; W196-K198 HydrophobicContact CD2-CB 3.76Å; W196-K198 HydrophobicContact CD2-CG 4.45Å; W196-K198 HydrophobicContact CE3-CB 3.64Å; W196-K198 VanDerWaalsContact CE3-O 3.27Å; W196-K198 HydrophobicContact CH2-CB 3.52Å; W196-K198 HydrophobicContact CZ2-CB 3.59Å; W196-K198 HydrophobicContact CZ2-CD 4.04Å; W196-K198 HydrophobicContact CZ2-CG 4.35Å; W196-K198 HydrophobicContact CZ3-CB 3.55Å; W196-K198 WeakPolarHBondContact CZ3-O 3.42Å; W196-K198 PolarHBondContact O-N 3.48Å; W196-E199 WeakPolarHBondContact CH2-O 3.49Å; W196-E199 WeakPolarHBondContact CZ3-O 3.2Å; W196-D203 HydrophobicContact CH2-CB 3.59Å; W196-D203 HydrophobicContact CZ2-CB 3.85Å; W196-L204 HydrophobicContact CH2-CB 3.57Å; W196-L204 HydrophobicContact CZ2-CB 3.9Å; W196-L204 HydrophobicContact CZ2-CD1 4.4Å; W196-L204 HydrophobicContact CZ3-CB 4.46Å
197G96.9Very high97.8Very high37 Ų3729.5 Ų29.538%0.38115%0.149SC..  trans69.124.2169.100000115.7I281G197-I281 VanDerWaalsContact O-CG2 3.24Å; G197-I281 WeakPolarHBondContact O-CG2 3.21Å
198K97.3Very high97.7Very high109 Ų10931.2 Ų31.247%0.47416%0.164SC..SBendtrans-132.9170.6178.2-63.9-171.7179.3-166.10112.9K192 W196 D203K192-K198 PolarHBondContact NZ-O 3.17Å; W196-K198 VanDerWaalsContact C-N 3.35Å; W196-K198 HydrophobicContact CD2-CB 3.76Å; W196-K198 HydrophobicContact CD2-CG 4.45Å; W196-K198 HydrophobicContact CE3-CB 3.64Å; W196-K198 VanDerWaalsContact CE3-O 3.27Å; W196-K198 HydrophobicContact CH2-CB 3.52Å; W196-K198 HydrophobicContact CZ2-CB 3.59Å; W196-K198 HydrophobicContact CZ2-CD 4.04Å; W196-K198 HydrophobicContact CZ2-CG 4.35Å; W196-K198 HydrophobicContact CZ3-CB 3.55Å; W196-K198 WeakPolarHBondContact CZ3-O 3.42Å; W196-K198 PolarHBondContact O-N 3.48Å; K198-D203 HydrophobicContact CB-CB 3.87Å; K198-D203 HydrophobicContact CD-CB 4.09Å
199E97.2Very high97.6Very high14 Ų1429.4 Ų29.47%0.06516%0.156CC..  trans-81.9133.3-178.1-160.8-75.6110.700111W196 Y201 S202 D203 L226W196-E199 WeakPolarHBondContact CH2-O 3.49Å; W196-E199 WeakPolarHBondContact CZ3-O 3.2Å; E199-Y201 VanDerWaalsContact CD-N 3.29Å; E199-Y201 PolarHBondContact O-N 2.89Å; E199-Y201 WeakPolarHBondContact OE1-CD2 3.37Å; E199-Y201 PolarHBondContact OE1-N 2.96Å; E199-Y201 PolarHBondContact OE2-N 2.71Å; E199-S202 WeakPolarHBondContact OE2-CB 3.29Å; E199-S202 PolarHBondContact OE2-N 3.2Å; E199-S202 PolarHBondContact OE2-OG 2.89Å; E199-D203 WeakPolarHBondContact CA-OD2 3.35Å; E199-D203 WeakPolarHBondContact CB-OD2 3.44Å; E199-D203 PolarHBondContact N-OD2 2.79Å; E199-D203 VanDerWaalsContact O-CB 3.29Å; E199-D203 WeakPolarHBondContact O-CB 3.18Å; E199-D203 PolarHBondContact O-N 2.78Å; E199-L226 HydrophobicContact CB-CD1 4.29Å; E199-L226 HydrophobicContact CG-CD1 3.42Å; E199-L226 VanDerWaalsContact CG-CD1 3.42Å
200L98.3Very high97.4Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-62.2-47.8-17118065.1000112.4F190 K192 L204 V205 I274 T287F190-L200 HydrophobicContact CB-CD1 4.47Å; K192-L200 HydrophobicContact CD-CB 4.19Å; K192-L200 HydrophobicContact CD-CD1 4.15Å; K192-L200 HydrophobicContact CG-CD1 4.47Å; L200-L204 HydrophobicContact CD1-CD2 3.95Å; L200-L204 VanDerWaalsContact O-CB 3.26Å; L200-L204 WeakPolarHBondContact O-CB 3.38Å; L200-L204 PolarHBondContact O-N 3.34Å; L200-V205 HydrophobicContact CD1-CG2 4.28Å; L200-V205 HydrophobicContact CG-CG2 4.06Å; L200-V205 WeakPolarHBondContact O-CG2 3.4Å; L200-V205 PolarHBondContact O-N 3.11Å; L200-I274 HydrophobicContact CB-CB 4.32Å; L200-I274 HydrophobicContact CB-CG2 3.99Å; L200-I274 HydrophobicContact CD2-CB 3.69Å; L200-I274 HydrophobicContact CD2-CG1 3.93Å; L200-I274 HydrophobicContact CD2-CG2 4.29Å; L200-T287 HydrophobicContact CD2-CG2 4.07Å
201Y98.2Very high97.1Very high0 Ų036 Ų360%019%0.185CC..Iπ-helixtrans-79.9-47.9-169.3-64.9-80.5000112.2E199 V205 A206 L213 V215 T217 A260 I274 R276 T287E199-Y201 VanDerWaalsContact CD-N 3.29Å; E199-Y201 PolarHBondContact O-N 2.89Å; E199-Y201 WeakPolarHBondContact OE1-CD2 3.37Å; E199-Y201 PolarHBondContact OE1-N 2.96Å; E199-Y201 PolarHBondContact OE2-N 2.71Å; Y201-V205 HydrophobicContact CD1-CB 4.4Å; Y201-V205 HydrophobicContact CD1-CG2 4.28Å; Y201-V205 PolarHBondContact O-N 3.06Å; Y201-A206 WeakPolarHBondContact O-CB 2.86Å; Y201-A206 PolarHBondContact O-N 3.3Å; Y201-L213 HydrophobicContact CD1-CD1 4.13Å; Y201-V215 HydrophobicContact CD1-CG1 4.29Å; Y201-V215 HydrophobicContact CD1-CG2 3.98Å; Y201-V215 HydrophobicContact CD2-CG1 3.88Å; Y201-V215 HydrophobicContact CE1-CG1 4.26Å; Y201-V215 HydrophobicContact CE2-CG1 3.85Å; Y201-V215 HydrophobicContact CG-CG1 4.1Å; Y201-V215 HydrophobicContact CG-CG2 3.95Å; Y201-T217 HydrophobicContact CE2-CG2 3.99Å; Y201-A260 HydrophobicContact CD1-CB 4.21Å; Y201-A260 HydrophobicContact CE1-CB 3.96Å; Y201-I274 WeakPolarHBondContact CE2-O 3.08Å; Y201-I274 PolarHBondContact OH-O 3.45Å; Y201-R276 HydrophobicContact CD2-CG 3.88Å; Y201-R276 HydrophobicContact CE2-CG 4.32Å; Y201-T287 HydrophobicContact CE1-CG2 4.29Å
202S96.7Very high96.9Very high7 Ų736.9 Ų36.95%0.04919%0.19CC..Iπ-helixtrans-76.6-37.5-174.6-45.40000112.5E199 P207E199-S202 WeakPolarHBondContact OE2-CB 3.29Å; E199-S202 PolarHBondContact OE2-N 3.2Å; E199-S202 PolarHBondContact OE2-OG 2.89Å; S202-P207 WeakPolarHBondContact O-CD 3.49Å; S202-P207 WeakPolarHBondContact O-CG 3.44Å
203D97.4Very high96.7Very high72 Ų7236.9 Ų36.939%0.38519%0.19SC..Iπ-helixtrans-96.8-14-176.5-59.8-70.9000113.7W196 K198 E199W196-D203 HydrophobicContact CH2-CB 3.59Å; W196-D203 HydrophobicContact CZ2-CB 3.85Å; K198-D203 HydrophobicContact CB-CB 3.87Å; K198-D203 HydrophobicContact CD-CB 4.09Å; E199-D203 WeakPolarHBondContact CA-OD2 3.35Å; E199-D203 WeakPolarHBondContact CB-OD2 3.44Å; E199-D203 PolarHBondContact N-OD2 2.79Å; E199-D203 VanDerWaalsContact O-CB 3.29Å; E199-D203 WeakPolarHBondContact O-CB 3.18Å; E199-D203 PolarHBondContact O-N 2.78Å
204L97.9Very high96.6Very high12 Ų1236.7 Ų36.76%0.06319%0.189CC..Iπ-helixtrans-126.9-62.1-178.3-169.367000113.1V174 L176 F190 W196 L200 S208V174-L204 HydrophobicContact CB-CD1 4.32Å; V174-L204 HydrophobicContact CB-CD2 4.24Å; V174-L204 HydrophobicContact CG1-CD1 4.36Å; V174-L204 HydrophobicContact CG1-CD2 4.01Å; V174-L204 HydrophobicContact CG2-CD1 4.26Å; L176-L204 HydrophobicContact CD1-CD1 3.9Å; F190-L204 HydrophobicContact CB-CD2 4.1Å; F190-L204 HydrophobicContact CD1-CD2 4.32Å; F190-L204 HydrophobicContact CD1-CG 4.08Å; W196-L204 HydrophobicContact CH2-CB 3.57Å; W196-L204 HydrophobicContact CZ2-CB 3.9Å; W196-L204 HydrophobicContact CZ2-CD1 4.4Å; W196-L204 HydrophobicContact CZ3-CB 4.46Å; L200-L204 HydrophobicContact CD1-CD2 3.95Å; L200-L204 VanDerWaalsContact O-CB 3.26Å; L200-L204 WeakPolarHBondContact O-CB 3.38Å; L200-L204 PolarHBondContact O-N 3.34Å; L204-S208 WeakPolarHBondContact O-CB 3.08Å; L204-S208 PolarHBondContact O-N 2.81Å; L204-S208 PolarHBondContact O-OG 2.86Å
205V98.3Very high96.7Very high0 Ų031.8 Ų31.80%017%0.167CC..Iπ-helixtrans-68-56.1-168.8-176.70000111.8F190 L200 Y201 S208 L209 L213 T287F190-V205 HydrophobicContact CB-CG2 4.12Å; F190-V205 HydrophobicContact CD1-CG2 4.31Å; F190-V205 HydrophobicContact CD2-CG1 4.34Å; F190-V205 HydrophobicContact CD2-CG2 4.13Å; F190-V205 HydrophobicContact CE2-CG1 4.17Å; F190-V205 HydrophobicContact CG-CG2 3.93Å; F190-V205 HydrophobicContact CZ-CG1 4.46Å; L200-V205 HydrophobicContact CD1-CG2 4.28Å; L200-V205 HydrophobicContact CG-CG2 4.06Å; L200-V205 WeakPolarHBondContact O-CG2 3.4Å; L200-V205 PolarHBondContact O-N 3.11Å; Y201-V205 HydrophobicContact CD1-CB 4.4Å; Y201-V205 HydrophobicContact CD1-CG2 4.28Å; Y201-V205 PolarHBondContact O-N 3.06Å; V205-S208 PolarHBondContact O-N 2.87Å; V205-L209 HydrophobicContact CG1-CD1 3.85Å; V205-L209 HydrophobicContact CG1-CG 4.42Å; V205-L209 WeakPolarHBondContact O-CB 3.18Å; V205-L209 WeakPolarHBondContact O-CG 3.1Å; V205-L209 PolarHBondContact O-N 3.38Å; V205-L213 HydrophobicContact CB-CD1 4.06Å; V205-L213 HydrophobicContact CG1-CD1 3.75Å; V205-T287 HydrophobicContact CG2-CG2 3.65Å
206A97Very high96.7Very high0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-62-45.6-177.600000112.3Y201 S208 L209 K210 I211 L213 V236Y201-A206 WeakPolarHBondContact O-CB 2.86Å; Y201-A206 PolarHBondContact O-N 3.3Å; A206-S208 PolarHBondContact O-N 3.39Å; A206-L209 CarbonylContact O-C 3.54Å; A206-L209 PolarHBondContact O-N 3.35Å; A206-K210 WeakPolarHBondContact O-CA 3.45Å; A206-K210 PolarHBondContact O-N 3.23Å; A206-I211 WeakPolarHBondContact CB-O 3.14Å; A206-I211 PolarHBondContact O-N 3.02Å; A206-L213 HydrophobicContact CB-CD1 3.84Å; A206-L213 HydrophobicContact CB-CG 4Å; A206-V236 HydrophobicContact CB-CG2 3.73Å
207P96.5Very high96.6Very high51 Ų5125.4 Ų25.433%0.33114%0.141SC..Hα-helixtrans-64.7-39.6175.3-23.935.1000113.8S202 K210S202-P207 WeakPolarHBondContact O-CD 3.49Å; S202-P207 WeakPolarHBondContact O-CG 3.44Å; P207-K210 WeakPolarHBondContact O-CG 3.08Å; P207-K210 PolarHBondContact O-N 2.78Å
208S96.9Very high96.6Very high55 Ų5524.9 Ų24.939%0.38513%0.127SC..Hα-helixtrans-70.2-38.7-179.9-61.20000112.2L204 V205 A206 K210L204-S208 WeakPolarHBondContact O-CB 3.08Å; L204-S208 PolarHBondContact O-N 2.81Å; L204-S208 PolarHBondContact O-OG 2.86Å; V205-S208 PolarHBondContact O-N 2.87Å; A206-S208 PolarHBondContact O-N 3.39Å; S208-K210 VanDerWaalsContact C-N 3.28Å
209L95.7Very high96.4Very high5 Ų521.2 Ų21.23%0.02611%0.112CC..Hα-helixtrans-79.7-11.8173.6-66.4-178.2000112.2F190 V205 A206 I211 R266 F268 C289F190-L209 HydrophobicContact CE2-CD1 4.4Å; F190-L209 HydrophobicContact CE2-CD2 4.38Å; F190-L209 HydrophobicContact CE2-CG 4.34Å; F190-L209 HydrophobicContact CZ-CD1 4.37Å; F190-L209 HydrophobicContact CZ-CD2 3.84Å; F190-L209 HydrophobicContact CZ-CG 3.82Å; V205-L209 HydrophobicContact CG1-CD1 3.85Å; V205-L209 HydrophobicContact CG1-CG 4.42Å; V205-L209 WeakPolarHBondContact O-CB 3.18Å; V205-L209 WeakPolarHBondContact O-CG 3.1Å; V205-L209 PolarHBondContact O-N 3.38Å; A206-L209 CarbonylContact O-C 3.54Å; A206-L209 PolarHBondContact O-N 3.35Å; L209-I211 VanDerWaalsContact C-N 3.26Å; L209-I211 HydrophobicContact CB-CG2 3.64Å; L209-I211 HydrophobicContact CD1-CG2 4.46Å; L209-I211 PolarHBondContact O-N 3.07Å; L209-R266 PolarHBondContact O-NH1 3.29Å; L209-R266 PolarHBondContact O-NH2 3.31Å; L209-F268 HydrophobicContact CD1-CB 4.37Å; L209-F268 HydrophobicContact CD1-CD1 4.38Å; L209-F268 HydrophobicContact CD1-CD2 4.34Å; L209-F268 HydrophobicContact CD1-CG 4.11Å; L209-F268 HydrophobicContact CD2-CE1 4.28Å; L209-F268 HydrophobicContact CD2-CE2 4.28Å; L209-F268 HydrophobicContact CD2-CZ 4.12Å; L209-C289 HydrophobicContact CD1-CB 4.39Å
210K94.9Very high96.2Very high141 Ų14127.4 Ų27.461%0.61314%0.135SC*.THydrogen-bonded Turntrans50.247.5-174.6-61.1-173.9-179.8-175.10112A206 P207 S208 Y234A206-K210 WeakPolarHBondContact O-CA 3.45Å; A206-K210 PolarHBondContact O-N 3.23Å; P207-K210 WeakPolarHBondContact O-CG 3.08Å; P207-K210 PolarHBondContact O-N 2.78Å; S208-K210 VanDerWaalsContact C-N 3.28Å; K210-Y234 VanDerWaalsContact CA-CZ 3.46Å; K210-Y234 HydrophobicContact CB-CD1 4.49Å; K210-Y234 HydrophobicContact CB-CE1 3.71Å; K210-Y234 HydrophobicContact CB-CE2 4.14Å; K210-Y234 WeakPolarHBondContact CB-OH 3.24Å; K210-Y234 HydrophobicContact CG-CE2 4.14Å; K210-Y234 VanDerWaalsContact O-CE1 3.27Å; K210-Y234 WeakPolarHBondContact O-CE1 3.47Å
211I92.9Very high95.7Very high6 Ų628.9 Ų28.93%0.03115%0.149CC..SBendtrans-150.5140.2-179.3-165.1158.7000110.7A206 L209 L213 Y234 A262 D263 R266A206-I211 WeakPolarHBondContact CB-O 3.14Å; A206-I211 PolarHBondContact O-N 3.02Å; L209-I211 VanDerWaalsContact C-N 3.26Å; L209-I211 HydrophobicContact CB-CG2 3.64Å; L209-I211 HydrophobicContact CD1-CG2 4.46Å; L209-I211 PolarHBondContact O-N 3.07Å; I211-L213 HydrophobicContact CG2-CD2 4.28Å; I211-Y234 VanDerWaalsContact N-CD1 3.29Å; I211-A262 HydrophobicContact CB-CB 4.47Å; I211-A262 HydrophobicContact CD1-CB 3.68Å; I211-A262 HydrophobicContact CG1-CB 3.94Å; I211-A262 HydrophobicContact CG2-CB 3.72Å; I211-D263 HydrophobicContact CD1-CB 3.83Å; I211-D263 HydrophobicContact CG1-CB 3.8Å; I211-R266 HydrophobicContact CD1-CB 3.56Å; I211-R266 HydrophobicContact CD1-CG 4.3Å; I211-R266 WeakPolarHBondContact CD1-O 3.28Å
212P93.3Very high95.2Very high18 Ų1836.1 Ų36.112%0.11719%0.194CC..  trans-63.3155.7171.7-19.432.3000112.2Y235 A262 I327P212-Y235 CarbonylContact C-O 3.49Å; P212-Y235 WeakPolarHBondContact CA-O 2.91Å; P212-Y235 HydrophobicContact CB-CD1 3.98Å; P212-Y235 HydrophobicContact CB-CD2 3.69Å; P212-Y235 HydrophobicContact CB-CE1 3.75Å; P212-Y235 HydrophobicContact CB-CE2 3.43Å; P212-Y235 VanDerWaalsContact CB-CE2 3.43Å; P212-Y235 HydrophobicContact CB-CG 3.95Å; P212-Y235 VanDerWaalsContact CB-CZ 3.46Å; P212-Y235 WeakPolarHBondContact CB-O 3.38Å; P212-Y235 HydrophobicContact CG-CD1 3.96Å; P212-Y235 HydrophobicContact CG-CE1 3.55Å; P212-Y235 HydrophobicContact CG-CE2 4.16Å; P212-Y235 HydrophobicContact CG-CG 4.44Å; P212-A262 WeakPolarHBondContact O-CA 3.39Å; P212-I327 HydrophobicContact CB-CD1 4.42Å
213L95.8Very high94.9Very high0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-131136.3-178.6-60.2176.4000111.7Y201 V205 A206 I211 V215 Y235 V236 E237 V261 A262Y201-L213 HydrophobicContact CD1-CD1 4.13Å; V205-L213 HydrophobicContact CB-CD1 4.06Å; V205-L213 HydrophobicContact CG1-CD1 3.75Å; A206-L213 HydrophobicContact CB-CD1 3.84Å; A206-L213 HydrophobicContact CB-CG 4Å; I211-L213 HydrophobicContact CG2-CD2 4.28Å; L213-V215 HydrophobicContact CB-CG2 3.86Å; L213-Y235 PolarHBondContact N-O 3.38Å; L213-V236 HydrophobicContact CB-CG1 4.41Å; L213-V236 HydrophobicContact CB-CG2 4.48Å; L213-V236 WeakPolarHBondContact O-CA 3.24Å; L213-E237 PolarHBondContact O-N 2.84Å; L213-V261 WeakPolarHBondContact CA-O 3.25Å; L213-A262 HydrophobicContact CD2-CB 3.83Å
214L95.7Very high94.9Very high3 Ų339.2 Ų39.22%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-91.8123.5157.2-60.1176.7000107.5E237 V239 A260 V261 I303 I327L214-E237 HydrophobicContact CD2-CB 3.87Å; L214-V239 HydrophobicContact CB-CG2 4.18Å; L214-A260 CarbonylContact O-C 3.57Å; L214-A260 WeakPolarHBondContact O-CA 3.28Å; L214-V261 HydrophobicContact CB-CG2 3.94Å; L214-V261 HydrophobicContact CD1-CG2 4.41Å; L214-V261 PolarHBondContact N-O 2.85Å; L214-V261 PolarHBondContact O-N 3.48Å; L214-I303 HydrophobicContact CB-CD1 3.81Å; L214-I303 HydrophobicContact CD1-CD1 3.54Å; L214-I303 HydrophobicContact CG-CD1 4.32Å; L214-I327 HydrophobicContact CD1-CG2 4.25Å
215V97.6Very high94.8Very high0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-119.9118.4-171.6-1780000110.4Y201 L213 T217 V236 E237 N238 V239 A260 R276Y201-V215 HydrophobicContact CD1-CG1 4.29Å; Y201-V215 HydrophobicContact CD1-CG2 3.98Å; Y201-V215 HydrophobicContact CD2-CG1 3.88Å; Y201-V215 HydrophobicContact CE1-CG1 4.26Å; Y201-V215 HydrophobicContact CE2-CG1 3.85Å; Y201-V215 HydrophobicContact CG-CG1 4.1Å; Y201-V215 HydrophobicContact CG-CG2 3.95Å; L213-V215 HydrophobicContact CB-CG2 3.86Å; V215-T217 HydrophobicContact CG1-CG2 3.62Å; V215-V236 HydrophobicContact CB-CG1 4.21Å; V215-V236 HydrophobicContact CG2-CG1 3.33Å; V215-E237 PolarHBondContact N-O 3.3Å; V215-N238 WeakPolarHBondContact O-CA 3.34Å; V215-V239 PolarHBondContact O-N 2.83Å; V215-A260 HydrophobicContact CB-CB 4.41Å; V215-A260 HydrophobicContact CG2-CB 3.82Å; V215-R276 VanDerWaalsContact CG1-CD 3.5Å; V215-R276 HydrophobicContact CG1-CG 4.06Å
216E97.4Very high94.7Very high1 Ų143.2 Ų43.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-99.5117.5168176.9131.19800109.9V239 I242 K258 W259E216-V239 HydrophobicContact CB-CB 3.99Å; E216-V239 HydrophobicContact CB-CG2 4.19Å; E216-V239 WeakPolarHBondContact OE2-CB 3.28Å; E216-V239 WeakPolarHBondContact OE2-CG1 3.4Å; E216-I242 WeakPolarHBondContact OE1-CD1 3.25Å; E216-I242 WeakPolarHBondContact OE1-CG1 3.21Å; E216-I242 WeakPolarHBondContact OE2-CD1 3.48Å; E216-I242 WeakPolarHBondContact OE2-CG1 3.31Å; E216-K258 CarbonylContact O-C 3.46Å; E216-K258 VanDerWaalsContact O-CA 3.31Å; E216-K258 WeakPolarHBondContact O-CA 3.26Å; E216-W259 HydrophobicContact CB-CD2 3.8Å; E216-W259 HydrophobicContact CB-CE3 4.41Å; E216-W259 HydrophobicContact CB-CG 4.18Å; E216-W259 HydrophobicContact CB-CH2 4.27Å; E216-W259 HydrophobicContact CB-CZ2 3.62Å; E216-W259 HydrophobicContact CG-CZ2 4.13Å; E216-W259 PolarHBondContact N-O 2.96Å; E216-W259 PolarHBondContact O-N 3.13Å; E216-W259 VanDerWaalsContact OE1-CZ2 3.24Å; E216-W259 WeakPolarHBondContact OE1-CZ2 3.24Å; E216-W259 PolarHBondContact OE1-NE1 3.05Å
217T97Very high94.6Very high2 Ų246.2 Ų46.21%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-144.8158.9171.664.80000111.1Y201 V215 Q219 S257 K258 I274 N275 R276Y201-T217 HydrophobicContact CE2-CG2 3.99Å; V215-T217 HydrophobicContact CG1-CG2 3.62Å; T217-Q219 WeakPolarHBondContact O-CG 3.08Å; T217-Q219 PolarHBondContact O-N 2.91Å; T217-S257 VanDerWaalsContact CA-O 3.31Å; T217-S257 WeakPolarHBondContact CA-O 3.27Å; T217-K258 HydrophobicContact CG2-CB 4.07Å; T217-K258 HydrophobicContact CG2-CG 4.18Å; T217-I274 WeakPolarHBondContact CG2-O 3.43Å; T217-N275 VanDerWaalsContact CB-CA 3.5Å; T217-N275 HydrophobicContact CG2-CB 4.4Å; T217-R276 HydrophobicContact CG2-CG 4.47Å; T217-R276 PolarHBondContact OG1-N 3.39Å
218W95.5Very high94.5Very high26 Ų2644 Ų4410%0.09824%0.243CC..  trans-44.5120.1175-175.6-117.6000114.6F115 R220 D255 H256 S257 N275F115-W218 HydrophobicContact CB-CH2 4.12Å; F115-W218 HydrophobicContact CB-CZ3 3.76Å; F115-W218 AromaticContact CD1-CH2 3.36Å; F115-W218 HydrophobicContact CD1-CH2 3.36Å; F115-W218 AromaticContact CD1-CZ3 3.46Å; F115-W218 HydrophobicContact CD1-CZ3 3.46Å; F115-W218 VanDerWaalsContact CD1-CZ3 3.46Å; F115-W218 AromaticContact CD2-CH2 3.3Å; F115-W218 HydrophobicContact CD2-CH2 3.3Å; F115-W218 HydrophobicContact CD2-CZ2 4.13Å; F115-W218 AromaticContact CD2-CZ3 3.87Å; F115-W218 HydrophobicContact CD2-CZ3 3.87Å; F115-W218 AromaticContact CE1-CH2 3.47Å; F115-W218 HydrophobicContact CE1-CH2 3.47Å; F115-W218 VanDerWaalsContact CE1-CH2 3.47Å; F115-W218 HydrophobicContact CE1-CZ3 4Å; F115-W218 AromaticContact CE2-CH2 3.4Å; F115-W218 HydrophobicContact CE2-CH2 3.4Å; F115-W218 VanDerWaalsContact CE2-CH2 3.4Å; F115-W218 HydrophobicContact CE2-CZ2 4.03Å; F115-W218 HydrophobicContact CE2-CZ3 4.36Å; F115-W218 AromaticContact CG-CH2 3.28Å; F115-W218 HydrophobicContact CG-CH2 3.28Å; F115-W218 HydrophobicContact CG-CZ2 4.46Å; F115-W218 AromaticContact CG-CZ3 3.39Å; F115-W218 HydrophobicContact CG-CZ3 3.39Å; F115-W218 AromaticContact CZ-CH2 3.49Å; F115-W218 HydrophobicContact CZ-CH2 3.49Å; F115-W218 VanDerWaalsContact CZ-CH2 3.49Å; F115-W218 HydrophobicContact CZ-CZ2 4.27Å; F115-W218 HydrophobicContact CZ-CZ3 4.42Å; W218-R220 HydrophobicContact CD2-CB 4.29Å; W218-R220 HydrophobicContact CE3-CB 4.46Å; W218-R220 HydrophobicContact CH2-CB 3.84Å; W218-R220 HydrophobicContact CH2-CG 4.5Å; W218-R220 HydrophobicContact CZ2-CB 3.62Å; W218-R220 HydrophobicContact CZ2-CG 4.31Å; W218-R220 HydrophobicContact CZ3-CB 4.28Å; W218-R220 PolarHBondContact NE1-O 2.71Å; W218-D255 WeakPolarHBondContact CA-O 2.87Å; W218-D255 VanDerWaalsContact CE3-C 3.44Å; W218-D255 VanDerWaalsContact CE3-O 3.3Å; W218-H256 AromaticContact CD1-CD2 3.85Å; W218-H256 HydrophobicContact CD2-CB 4.04Å; W218-H256 AromaticContact CD2-CD2 3.42Å; W218-H256 VanDerWaalsContact CD2-CD2 3.42Å; W218-H256 AromaticContact CE2-CD2 3.79Å; W218-H256 HydrophobicContact CE3-CB 3.53Å; W218-H256 AromaticContact CE3-CD2 3.88Å; W218-H256 AromaticContact CG-CD2 3.39Å; W218-H256 HydrophobicContact CZ3-CB 3.83Å; W218-S257 PolarHBondContact N-O 3.37Å; W218-N275 HydrophobicContact CB-CB 4.06Å
219Q94Very high94.3Very high32 Ų3243.3 Ų43.315%0.1524%0.235CC..  trans-110.13.3-178.6-55.9-170.411.100113.9T217 N225 V239 L253T217-Q219 WeakPolarHBondContact O-CG 3.08Å; T217-Q219 PolarHBondContact O-N 2.91Å; Q219-N225 PolarHBondContact O-ND2 3.27Å; Q219-N225 PolarHBondContact O-OD1 3.3Å; Q219-V239 PolarHBondContact NE2-O 2.97Å; Q219-L253 HydrophobicContact CB-CD2 3.94Å
220R91.9Very high93.8Very high145 Ų14543.9 Ų43.955%0.54724%0.239SC..  trans-111.326.3-175.4-163.5-177.5175.7169.80.5113W218 D254W218-R220 HydrophobicContact CD2-CB 4.29Å; W218-R220 HydrophobicContact CE3-CB 4.46Å; W218-R220 HydrophobicContact CH2-CB 3.84Å; W218-R220 HydrophobicContact CH2-CG 4.5Å; W218-R220 HydrophobicContact CZ2-CB 3.62Å; W218-R220 HydrophobicContact CZ2-CG 4.31Å; W218-R220 HydrophobicContact CZ3-CB 4.28Å; W218-R220 PolarHBondContact NE1-O 2.71Å; R220-D254 IonicContact NH1-OD1 3.96Å
221G88.1Confident93.4Very high30 Ų3041.3 Ų41.331%0.30924%0.236SC..SBendtrans-83.3-17617500000112.8
222T88.3Confident93Very high153 Ų15345.6 Ų45.694%0.93926%0.256SS*.SBendtrans-82.6-9.5-174.854.10000114.7
223S91.1Very high92.6Very high36 Ų3649.4 Ų49.425%0.25228%0.28SS..SBendtrans-107.4154.3-178.6-1720000110.7N225 Q277 G279S223-N225 PolarHBondContact O-N 2.51Å; S223-Q277 PolarHBondContact O-NE2 2.84Å; S223-G279 PolarHBondContact OG-N 3.09Å
224T95.8Very high92.4Very high108 Ų10852.9 Ų52.966%0.66329%0.294SS*.PPolyproline II helixtrans-56.5132.5176.1-46.10000111Q277 K278T224-Q277 WeakPolarHBondContact O-CA 3.42Å; T224-K278 PolarHBondContact O-N 3.16Å
225N96.1Very high92.2Very high60 Ų6054.5 Ų54.532%0.32130%0.3SS..BIsolated β-bridgetrans-68135172.1-59.7-31.1000109.1Q219 S223 Q277Q219-N225 PolarHBondContact O-ND2 3.27Å; Q219-N225 PolarHBondContact O-OD1 3.3Å; S223-N225 PolarHBondContact O-N 2.51Å; N225-Q277 WeakPolarHBondContact OD1-CG 3.07Å; N225-Q277 PolarHBondContact OD1-NE2 2.94Å
226L96.2Very high92Very high36 Ų3654.5 Ų54.519%0.18830%0.3CS..PPolyproline II helixtrans-74.5132.9171.3-63.2171.6000107.8E199 N238 R276 K278 I281E199-L226 HydrophobicContact CB-CD1 4.29Å; E199-L226 HydrophobicContact CG-CD1 3.42Å; E199-L226 VanDerWaalsContact CG-CD1 3.42Å; L226-N238 PolarHBondContact O-ND2 2.7Å; L226-R276 WeakPolarHBondContact CB-O 3.42Å; L226-R276 PolarHBondContact N-O 3.05Å; L226-K278 HydrophobicContact CD2-CB 4.15Å; L226-I281 HydrophobicContact CD1-CD1 4.33Å; L226-I281 HydrophobicContact CD1-CG1 4.45Å; L226-I281 HydrophobicContact CD2-CD1 4.47Å
227P95Very high91.9Very high62 Ų6254.5 Ų54.540%0.40330%0.3SS..PPolyproline II helixtrans-70168.7-179.631.4-36.4000111.4N229 R276 E307 P310P227-N229 PolarHBondContact O-N 3.32Å; P227-R276 PolarHBondContact O-NH2 2.82Å; P227-R276 VanDerWaalsContact O-NH2 3.15Å; P227-E307 WeakPolarHBondContact CA-OE1 3.41Å; P227-P310 HydrophobicContact CB-CG 3.58Å; P227-P310 HydrophobicContact CG-CG 4.16Å
228S94.6Very high91.8Very high5 Ų554.6 Ų54.64%0.03530%0.3CS..PPolyproline II helixtrans-47.8126.2162.7-76.30000110.9V236 E237 N238 E307S228-V236 CarbonylContact C-O 3.42Å; S228-V236 WeakPolarHBondContact CA-O 3.47Å; S228-E237 VanDerWaalsContact OG-CA 3.3Å; S228-E237 WeakPolarHBondContact OG-CA 3.16Å; S228-N238 PolarHBondContact N-ND2 3.41Å; S228-N238 PolarHBondContact OG-N 2.77Å; S228-E307 PolarHBondContact N-OE2 3.21Å; S228-E307 VanDerWaalsContact N-OE2 3.12Å; S228-E307 WeakPolarHBondContact OG-CB 3.47Å; S228-E307 PolarHBondContact OG-O 2.89Å
229N92.4Very high91.9Very high40 Ų4053.3 Ų53.321%0.21430%0.296CS..BIsolated β-bridgetrans-101.2115.7177.9-179-4.3000109.4P227 T231 Y235 V236P227-N229 PolarHBondContact O-N 3.32Å; N229-T231 PolarHBondContact OD1-N 3.02Å; N229-T231 PolarHBondContact OD1-OG1 2.86Å; N229-Y235 CarbonylContact O-C 3.56Å; N229-Y235 VanDerWaalsContact O-CA 3.26Å; N229-Y235 WeakPolarHBondContact O-CA 3.22Å; N229-Y235 VanDerWaalsContact O-CB 3.28Å; N229-Y235 WeakPolarHBondContact O-CB 3.18Å; N229-V236 PolarHBondContact N-O 3.01Å; N229-V236 PolarHBondContact O-N 2.6Å
230C87Confident91.9Very high17 Ų1756.1 Ų56.112%0.11531%0.307CS..  trans-127.85.1-168.8-51.30000112.9C309 F315 R326C230-C309 HydrophobicContact CB-CB 3.52Å; C230-C309 WeakPolarHBondContact CB-SG 3.47Å; C230-C309 WeakPolarHBondContact SG-CB 3.47Å; C230-C309 CovalentContact SG-SG 1.97Å; C230-C309 PolarHBondContact SG-SG 3.46Å; C230-F315 HydrophobicContact CB-CE2 4.32Å; C230-F315 HydrophobicContact CB-CZ 4.15Å; C230-R326 PolarHBondContact SG-NH2 3.22Å
231T85.3Confident92.1Very high88 Ų8852 Ų5254%0.5429%0.294SS..SBendtrans-87.9-19.2-179.657.60000111.6N229 F315N229-T231 PolarHBondContact OD1-N 3.02Å; N229-T231 PolarHBondContact OD1-OG1 2.86Å; T231-F315 HydrophobicContact CG2-CE1 4.38Å
232E85.5Confident92.5Very high96 Ų9650.9 Ų50.945%0.44928%0.281SS..SBendtrans-87.4153.3179.7-62.5-57.1148.400112.5Y234E232-Y234 PolarHBondContact O-N 3.39Å; E232-Y234 VanDerWaalsContact O-N 3.11Å
233P85.2Confident92.8Very high97 Ų9749.2 Ų49.263%0.6326%0.258SS*.SBendtrans-56.7-28.3175.1-25.234.2000113.9
234Y91.1Very high92.9Very high73 Ų7348.4 Ų48.429%0.28625%0.251SS..SBendtrans-116.682176.6-48.9-67.7000108.7K210 I211 E232K210-Y234 VanDerWaalsContact CA-CZ 3.46Å; K210-Y234 HydrophobicContact CB-CD1 4.49Å; K210-Y234 HydrophobicContact CB-CE1 3.71Å; K210-Y234 HydrophobicContact CB-CE2 4.14Å; K210-Y234 WeakPolarHBondContact CB-OH 3.24Å; K210-Y234 HydrophobicContact CG-CE2 4.14Å; K210-Y234 VanDerWaalsContact O-CE1 3.27Å; K210-Y234 WeakPolarHBondContact O-CE1 3.47Å; I211-Y234 VanDerWaalsContact N-CD1 3.29Å; E232-Y234 PolarHBondContact O-N 3.39Å; E232-Y234 VanDerWaalsContact O-N 3.11Å
235Y90.2Very high92.5Very high37 Ų3745.2 Ų45.215%0.14523%0.233CC..  trans-64.1152.8-17656.1-96000112.4P212 L213 N229 E237 R326 I327P212-Y235 CarbonylContact C-O 3.49Å; P212-Y235 WeakPolarHBondContact CA-O 2.91Å; P212-Y235 HydrophobicContact CB-CD1 3.98Å; P212-Y235 HydrophobicContact CB-CD2 3.69Å; P212-Y235 HydrophobicContact CB-CE1 3.75Å; P212-Y235 HydrophobicContact CB-CE2 3.43Å; P212-Y235 VanDerWaalsContact CB-CE2 3.43Å; P212-Y235 HydrophobicContact CB-CG 3.95Å; P212-Y235 VanDerWaalsContact CB-CZ 3.46Å; P212-Y235 WeakPolarHBondContact CB-O 3.38Å; P212-Y235 HydrophobicContact CG-CD1 3.96Å; P212-Y235 HydrophobicContact CG-CE1 3.55Å; P212-Y235 HydrophobicContact CG-CE2 4.16Å; P212-Y235 HydrophobicContact CG-CG 4.44Å; L213-Y235 PolarHBondContact N-O 3.38Å; N229-Y235 CarbonylContact O-C 3.56Å; N229-Y235 VanDerWaalsContact O-CA 3.26Å; N229-Y235 WeakPolarHBondContact O-CA 3.22Å; N229-Y235 VanDerWaalsContact O-CB 3.28Å; N229-Y235 WeakPolarHBondContact O-CB 3.18Å; Y235-E237 HydrophobicContact CD2-CG 4.01Å; Y235-E237 VanDerWaalsContact CD2-OE2 3.32Å; Y235-E237 WeakPolarHBondContact CD2-OE2 3.44Å; Y235-E237 WeakPolarHBondContact CE2-OE2 3.47Å; Y235-R326 HydrophobicContact CE1-CG 4.43Å; Y235-R326 HydrophobicContact CE2-CG 4.43Å; Y235-I327 HydrophobicContact CE2-CD1 4.15Å; Y235-I327 WeakPolarHBondContact OH-CD1 3.27Å; Y235-I327 WeakPolarHBondContact OH-CG1 3.35Å
236V94.6Very high92Very high0 Ų051.6 Ų51.60%026%0.258CS..EExtended strand (participates in β ladder)trans-129.5106.2-179.6-174.20000109.3A206 L213 V215 S228 N229 R276A206-V236 HydrophobicContact CB-CG2 3.73Å; L213-V236 HydrophobicContact CB-CG1 4.41Å; L213-V236 HydrophobicContact CB-CG2 4.48Å; L213-V236 WeakPolarHBondContact O-CA 3.24Å; V215-V236 HydrophobicContact CB-CG1 4.21Å; V215-V236 HydrophobicContact CG2-CG1 3.33Å; S228-V236 CarbonylContact C-O 3.42Å; S228-V236 WeakPolarHBondContact CA-O 3.47Å; N229-V236 PolarHBondContact N-O 3.01Å; N229-V236 PolarHBondContact O-N 2.6Å; V236-R276 VanDerWaalsContact CG1-CZ 3.46Å; V236-R276 PolarHBondContact O-NH1 2.98Å; V236-R276 VanDerWaalsContact O-NH1 3.09Å; V236-R276 PolarHBondContact O-NH2 3.06Å
237E94.1Very high91.5Very high1 Ų155.5 Ų55.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-102.3143.1-177-63.9168.2102.700111.1L213 L214 V215 S228 Y235 R276 F306 R326L213-E237 PolarHBondContact O-N 2.84Å; L214-E237 HydrophobicContact CD2-CB 3.87Å; V215-E237 PolarHBondContact N-O 3.3Å; S228-E237 VanDerWaalsContact OG-CA 3.3Å; S228-E237 WeakPolarHBondContact OG-CA 3.16Å; Y235-E237 HydrophobicContact CD2-CG 4.01Å; Y235-E237 VanDerWaalsContact CD2-OE2 3.32Å; Y235-E237 WeakPolarHBondContact CD2-OE2 3.44Å; Y235-E237 WeakPolarHBondContact CE2-OE2 3.47Å; E237-R276 VanDerWaalsContact C-NH1 3.31Å; E237-R276 PolarHBondContact O-NH1 3.06Å; E237-F306 WeakPolarHBondContact OE1-CD2 3.28Å; E237-F306 VanDerWaalsContact OE1-CE2 3.28Å; E237-F306 WeakPolarHBondContact OE1-CE2 3.28Å; E237-R326 VanDerWaalsContact CD-NH1 3.29Å; E237-R326 IonicContact OE1-CZ 3.36Å; E237-R326 IonicContact OE1-NH1 2.71Å; E237-R326 PolarHBondContact OE1-NH1 3.22Å
238N96.2Very high91.2Very high4 Ų453.4 Ų53.42%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-82131.4176.4-72.9-44.4000110.9V215 L226 S228 R276 F306 E307V215-N238 WeakPolarHBondContact O-CA 3.34Å; L226-N238 PolarHBondContact O-ND2 2.7Å; S228-N238 PolarHBondContact N-ND2 3.41Å; S228-N238 PolarHBondContact OG-N 2.77Å; N238-R276 VanDerWaalsContact OD1-CD 3.23Å; N238-R276 WeakPolarHBondContact OD1-CD 3.4Å; N238-R276 VanDerWaalsContact OD1-CZ 3.24Å; N238-R276 PolarHBondContact OD1-NE 3.38Å; N238-R276 PolarHBondContact OD1-NH1 3.28Å; N238-F306 CarbonylContact O-C 3.24Å; N238-F306 WeakPolarHBondContact O-CA 3.23Å; N238-F306 VanDerWaalsContact O-CB 3.27Å; N238-F306 WeakPolarHBondContact O-CB 3.18Å; N238-E307 HydrophobicContact CB-CB 3.99Å; N238-E307 WeakPolarHBondContact CB-OE2 3.26Å; N238-E307 PolarHBondContact ND2-OE2 2.95Å; N238-E307 PolarHBondContact O-N 3.41Å
239V96.2Very high91.2Very high0 Ų055.5 Ų55.50%028%0.279CS..EExtended strand (participates in β ladder)trans-69.7138.3166.5177.90000109L214 V215 E216 Q219 I242 A252 I303L214-V239 HydrophobicContact CB-CG2 4.18Å; V215-V239 PolarHBondContact O-N 2.83Å; E216-V239 HydrophobicContact CB-CB 3.99Å; E216-V239 HydrophobicContact CB-CG2 4.19Å; E216-V239 WeakPolarHBondContact OE2-CB 3.28Å; E216-V239 WeakPolarHBondContact OE2-CG1 3.4Å; Q219-V239 PolarHBondContact NE2-O 2.97Å; V239-I242 HydrophobicContact CG1-CG1 3.92Å; V239-A252 WeakPolarHBondContact O-CB 3.35Å; V239-I303 HydrophobicContact CG1-CG1 4.27Å; V239-I303 HydrophobicContact CG1-CG2 4.15Å; V239-I303 HydrophobicContact CG2-CD1 3.73Å; V239-I303 HydrophobicContact CG2-CG1 3.97Å; V239-I303 HydrophobicContact CG2-CG2 4.28Å
240K95.2Very high91.4Very high91 Ų9154 Ų5440%0.39627%0.27SS..EExtended strand (participates in β ladder)trans-109.2-36.1179.5-80.3178.364.1-141.90113P251 A252 D305 E307K240-P251 WeakPolarHBondContact O-CA 2.96Å; K240-A252 PolarHBondContact O-N 3.11Å; K240-D305 HydrophobicContact CB-CB 4.25Å; K240-D305 WeakPolarHBondContact CE-OD2 3.05Å; K240-D305 PolarHBondContact N-O 2.66Å; K240-D305 IonicContact NZ-OD2 2.77Å; K240-D305 PolarHBondContact NZ-OD2 3.26Å; K240-E307 HydrophobicContact CD-CB 3.93Å; K240-E307 HydrophobicContact CG-CB 4.11Å
241H95.7Very high91.8Very high59 Ų5955.2 Ų55.227%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-146.1139.3-174.2-152.699.4000111.2L304 D305H241-L304 HydrophobicContact CB-CB 4.27Å; H241-L304 WeakPolarHBondContact O-CB 3.48Å; H241-L304 PolarHBondContact O-N 3.04Å; H241-D305 HydrophobicContact CB-CB 3.93Å; H241-D305 PolarHBondContact N-O 2.87Å; H241-D305 PolarHBondContact O-N 2.9Å
242I96Very high92.3Very high5 Ų551 Ų513%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-129.4145.9-169.2-41.3122000109.3E216 V239 S249 F250 A252 D255 W259 S302E216-I242 WeakPolarHBondContact OE1-CD1 3.25Å; E216-I242 WeakPolarHBondContact OE1-CG1 3.21Å; E216-I242 WeakPolarHBondContact OE2-CD1 3.48Å; E216-I242 WeakPolarHBondContact OE2-CG1 3.31Å; V239-I242 HydrophobicContact CG1-CG1 3.92Å; I242-S249 CarbonylContact O-C 3.58Å; I242-S249 WeakPolarHBondContact O-CA 3.1Å; I242-S249 WeakPolarHBondContact O-CB 3.46Å; I242-F250 HydrophobicContact CB-CE2 4.21Å; I242-F250 HydrophobicContact CB-CZ 4.31Å; I242-F250 HydrophobicContact CD1-CD2 3.72Å; I242-F250 HydrophobicContact CD1-CE2 3.3Å; I242-F250 HydrophobicContact CD1-CZ 4.12Å; I242-F250 HydrophobicContact CG1-CE2 4.41Å; I242-F250 PolarHBondContact N-O 2.95Å; I242-F250 PolarHBondContact O-N 2.83Å; I242-A252 HydrophobicContact CD1-CB 4.49Å; I242-D255 HydrophobicContact CD1-CB 4.31Å; I242-W259 HydrophobicContact CG2-CZ2 4.48Å; I242-S302 CarbonylContact C-O 3.1Å; I242-S302 VanDerWaalsContact CA-O 3.22Å; I242-S302 WeakPolarHBondContact CA-O 3.09Å; I242-S302 VanDerWaalsContact CG2-O 3.24Å; I242-S302 WeakPolarHBondContact CG2-O 3.49Å
243R95.6Very high92.8Very high119 Ų11950.5 Ų50.545%0.44925%0.252SS..EExtended strand (participates in β ladder)trans-138.883.3172.6-177.1177.963.6-179.3-5.6109.9S245 F248 S302 L304R243-S245 WeakPolarHBondContact CG-O 3.44Å; R243-S245 PolarHBondContact O-N 3.05Å; R243-F248 WeakPolarHBondContact CA-O 3.48Å; R243-F248 WeakPolarHBondContact CG-O 3.27Å; R243-S302 PolarHBondContact N-O 3.12Å; R243-S302 WeakPolarHBondContact O-CA 3.47Å; R243-L304 HydrophobicContact CB-CD1 3.48Å; R243-L304 VanDerWaalsContact CB-CD1 3.48Å; R243-L304 HydrophobicContact CB-CD2 4.09Å; R243-L304 HydrophobicContact CB-CG 3.62Å; R243-L304 HydrophobicContact CG-CD1 4.36Å
244P93.5Very high93.3Very high19 Ų1948.6 Ų48.612%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-75.5-9.7-178.633.2-36.7000113.5M1 L19 W28 F248 F250 S302M1-P244 HydrophobicContact CE-CG 3.78Å; M1-P244 HydrophobicContact SD-CG 3.7Å; L19-P244 HydrophobicContact CD1-CB 3.61Å; L19-P244 HydrophobicContact CD1-CG 3.92Å; W28-P244 VanDerWaalsContact CD1-O 3.29Å; P244-F248 WeakPolarHBondContact CD-O 3.38Å; P244-F250 HydrophobicContact CG-CE1 3.91Å; P244-F250 HydrophobicContact CG-CZ 4.33Å; P244-S302 WeakPolarHBondContact CA-OG 3.43Å
245S87.1Confident93.6Very high40 Ų4045.5 Ų45.528%0.2823%0.225SC..EExtended strand (participates in β ladder)trans-148.6153.4174.1171.70000110.1R243 N247 F248R243-S245 WeakPolarHBondContact CG-O 3.44Å; R243-S245 PolarHBondContact O-N 3.05Å; S245-N247 PolarHBondContact O-N 2.76Å; S245-F248 PolarHBondContact O-N 3.46Å; S245-F248 VanDerWaalsContact O-N 3.11Å; S245-F248 VanDerWaalsContact O-O 3.12Å
246K84.8Confident93.9Very high195 Ų19544.6 Ų44.685%0.84822%0.222SC*.THydrogen-bonded Turntrans-50-33.4-174.9-69.6-173.4177.9-176.70113.8
247N85.8Confident94Very high117 Ų11744.7 Ų44.763%0.62622%0.223SC*.THydrogen-bonded Turntrans-98.1-4.9-171.6-63.6-21.2000114.5R7 S245R7-N247 PolarHBondContact NH2-O 3.03Å; S245-N247 PolarHBondContact O-N 2.76Å
248F89.4Confident94.2Very high18 Ų1844.7 Ų44.78%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-139.4119.7-170-45.3-64.9000110.8M1 L12 R243 P244 S245M1-F248 HydrophobicContact CE-CB 3.78Å; M1-F248 HydrophobicContact CE-CG 4.46Å; L12-F248 HydrophobicContact CD1-CD1 3.23Å; L12-F248 HydrophobicContact CD1-CD2 4.39Å; L12-F248 HydrophobicContact CD1-CE1 3Å; L12-F248 HydrophobicContact CD1-CE2 4.2Å; L12-F248 HydrophobicContact CD1-CG 3.96Å; L12-F248 HydrophobicContact CD1-CZ 3.54Å; L12-F248 HydrophobicContact CG-CE1 4.46Å; R243-F248 WeakPolarHBondContact CA-O 3.48Å; R243-F248 WeakPolarHBondContact CG-O 3.27Å; P244-F248 WeakPolarHBondContact CD-O 3.38Å; S245-F248 PolarHBondContact O-N 3.46Å; S245-F248 VanDerWaalsContact O-N 3.11Å; S245-F248 VanDerWaalsContact O-O 3.12Å
249S94.6Very high94.3Very high50 Ų5044.9 Ų44.935%0.3522%0.223SC..EExtended strand (participates in β ladder)trans-133.2153.5170.164.70000110.3M4 I242M4-S249 WeakPolarHBondContact CE-O 3.36Å; I242-S249 CarbonylContact O-C 3.58Å; I242-S249 WeakPolarHBondContact O-CA 3.1Å; I242-S249 WeakPolarHBondContact O-CB 3.46Å
250F95.7Very high94.4Very high8 Ų844.9 Ų44.94%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-155.7155.2179.651-91.2000110M1 P2 I242 P244 D255M1-F250 HydrophobicContact CE-CD1 4.09Å; M1-F250 HydrophobicContact CE-CE1 3.52Å; M1-F250 HydrophobicContact SD-CE1 3.99Å; P2-F250 HydrophobicContact CG-CB 3.98Å; P2-F250 HydrophobicContact CG-CD1 3.7Å; P2-F250 HydrophobicContact CG-CD2 3.71Å; P2-F250 HydrophobicContact CG-CE1 4.11Å; P2-F250 HydrophobicContact CG-CE2 4.08Å; P2-F250 HydrophobicContact CG-CG 3.5Å; P2-F250 VanDerWaalsContact CG-CG 3.5Å; P2-F250 HydrophobicContact CG-CZ 4.28Å; I242-F250 HydrophobicContact CB-CE2 4.21Å; I242-F250 HydrophobicContact CB-CZ 4.31Å; I242-F250 HydrophobicContact CD1-CD2 3.72Å; I242-F250 HydrophobicContact CD1-CE2 3.3Å; I242-F250 HydrophobicContact CD1-CZ 4.12Å; I242-F250 HydrophobicContact CG1-CE2 4.41Å; I242-F250 PolarHBondContact N-O 2.95Å; I242-F250 PolarHBondContact O-N 2.83Å; P244-F250 HydrophobicContact CG-CE1 3.91Å; P244-F250 HydrophobicContact CG-CZ 4.33Å; F250-D255 HydrophobicContact CD2-CB 4.29Å; F250-D255 HydrophobicContact CE2-CB 3.8Å; F250-D255 WeakPolarHBondContact CE2-OD2 3.31Å; F250-D255 WeakPolarHBondContact CZ-OD2 3.48Å
251P96.2Very high94.5Very high42 Ų4240.6 Ų40.627%0.27321%0.205SC..EExtended strand (participates in β ladder)trans-73153.3175.331.6-35.5000111K240 L253 D254K240-P251 WeakPolarHBondContact O-CA 2.96Å; P251-L253 HydrophobicContact CB-CB 4.46Å; P251-L253 PolarHBondContact O-N 3.05Å; P251-D254 HydrophobicContact CG-CB 4.46Å; P251-D254 WeakPolarHBondContact CG-OD2 3.49Å; P251-D254 PolarHBondContact O-N 2.91Å
252A95.7Very high94.4Very high1 Ų137.9 Ų37.91%0.00819%0.193CC..G310 helixtrans-59.1-19.8174.200000113.1V239 K240 I242 D254 D255V239-A252 WeakPolarHBondContact O-CB 3.35Å; K240-A252 PolarHBondContact O-N 3.11Å; I242-A252 HydrophobicContact CD1-CB 4.49Å; A252-D254 PolarHBondContact O-N 2.8Å; A252-D255 PolarHBondContact O-N 3.37Å; A252-D255 VanDerWaalsContact O-N 3.11Å
253L96Very high94Very high85 Ų8539.2 Ų39.245%0.44520%0.2SC..G310 helixtrans-63.2-22.6172.6-70.1170000113.7Q219 P251Q219-L253 HydrophobicContact CB-CD2 3.94Å; P251-L253 HydrophobicContact CB-CB 4.46Å; P251-L253 PolarHBondContact O-N 3.05Å
254D96.5Very high93.5Very high56 Ų5637.4 Ų37.430%0.29920%0.197SC..G310 helixtrans-975.1176.8-67.5-30.1000112.2P2 F115 G116 R220 P251 A252P2-D254 HydrophobicContact CB-CB 4.08Å; P2-D254 WeakPolarHBondContact CB-O 3.19Å; P2-D254 HydrophobicContact CG-CB 4.39Å; F115-D254 CarbonylContact C-O 3.51Å; F115-D254 VanDerWaalsContact CA-O 3.28Å; F115-D254 WeakPolarHBondContact CA-O 3.34Å; F115-D254 WeakPolarHBondContact CB-O 3.31Å; G116-D254 PolarHBondContact N-O 3.09Å; R220-D254 IonicContact NH1-OD1 3.96Å; P251-D254 HydrophobicContact CG-CB 4.46Å; P251-D254 WeakPolarHBondContact CG-OD2 3.49Å; P251-D254 PolarHBondContact O-N 2.91Å; A252-D254 PolarHBondContact O-N 2.8Å
255D96.8Very high93.2Very high9 Ų940.4 Ų40.45%0.04822%0.223CC..BIsolated β-bridgetrans-124.4112.5-173.4-154.7-38.5000113.8G116 W218 I242 F250 A252 S257G116-D255 WeakPolarHBondContact CA-OD1 3.46Å; W218-D255 WeakPolarHBondContact CA-O 2.87Å; W218-D255 VanDerWaalsContact CE3-C 3.44Å; W218-D255 VanDerWaalsContact CE3-O 3.3Å; I242-D255 HydrophobicContact CD1-CB 4.31Å; F250-D255 HydrophobicContact CD2-CB 4.29Å; F250-D255 HydrophobicContact CE2-CB 3.8Å; F250-D255 WeakPolarHBondContact CE2-OD2 3.31Å; F250-D255 WeakPolarHBondContact CZ-OD2 3.48Å; A252-D255 PolarHBondContact O-N 3.37Å; A252-D255 VanDerWaalsContact O-N 3.11Å; D255-S257 VanDerWaalsContact C-N 3.31Å; D255-S257 WeakPolarHBondContact OD1-CA 3.06Å; D255-S257 WeakPolarHBondContact OD1-CB 3.32Å; D255-S257 PolarHBondContact OD1-N 2.99Å; D255-S257 PolarHBondContact OD1-OG 3.4Å
256H96.7Very high93.5Very high17 Ų1743 Ų438%0.07923%0.227CC..  trans-86.6-1.5178.3-172.5-111.8000113.4S96 F115 G116 Q117 W218 K258S96-H256 WeakPolarHBondContact CB-O 2.9Å; S96-H256 PolarHBondContact O-CE1 3.42Å; S96-H256 PolarHBondContact O-ND1 2.89Å; F115-H256 HydrophobicContact CB-CB 3.94Å; G116-H256 CarbonylContact O-C 3.5Å; G116-H256 WeakPolarHBondContact O-CA 3.03Å; G116-H256 VanDerWaalsContact O-CB 3.31Å; G116-H256 WeakPolarHBondContact O-CB 3.01Å; G116-H256 PolarHBondContact O-N 3.16Å; Q117-H256 PolarHBondContact NE2-ND1 2.98Å; Q117-H256 PolarHBondContact OE1-ND1 3.21Å; W218-H256 AromaticContact CD1-CD2 3.85Å; W218-H256 HydrophobicContact CD2-CB 4.04Å; W218-H256 AromaticContact CD2-CD2 3.42Å; W218-H256 VanDerWaalsContact CD2-CD2 3.42Å; W218-H256 AromaticContact CE2-CD2 3.79Å; W218-H256 HydrophobicContact CE3-CB 3.53Å; W218-H256 AromaticContact CE3-CD2 3.88Å; W218-H256 AromaticContact CG-CD2 3.39Å; W218-H256 HydrophobicContact CZ3-CB 3.83Å; H256-K258 PolarHBondContact CE1-NZ 3.33Å; H256-K258 PolarHBondContact NE2-NZ 3.38Å; H256-K258 PolarHBondContact O-NZ 2.96Å
257S96.7Very high94Very high3 Ų334.3 Ų34.32%0.02119%0.19CC..  trans-55.1158.8169.2-55.30000111.5G116 Q117 T118 T217 W218 D255G116-S257 PolarHBondContact O-N 2.81Å; Q117-S257 WeakPolarHBondContact CA-OG 3.28Å; Q117-S257 PolarHBondContact N-OG 2.62Å; Q117-S257 PolarHBondContact O-OG 2.71Å; T118-S257 VanDerWaalsContact CG2-CB 3.5Å; T118-S257 WeakPolarHBondContact CG2-OG 3.39Å; T118-S257 PolarHBondContact N-OG 3.02Å; T118-S257 VanDerWaalsContact N-OG 3.16Å; T118-S257 WeakPolarHBondContact OG1-CB 3.42Å; T217-S257 VanDerWaalsContact CA-O 3.31Å; T217-S257 WeakPolarHBondContact CA-O 3.27Å; W218-S257 PolarHBondContact N-O 3.37Å; D255-S257 VanDerWaalsContact C-N 3.31Å; D255-S257 WeakPolarHBondContact OD1-CA 3.06Å; D255-S257 WeakPolarHBondContact OD1-CB 3.32Å; D255-S257 PolarHBondContact OD1-N 2.99Å; D255-S257 PolarHBondContact OD1-OG 3.4Å
258K97.9Very high94.6Very high0 Ų029.2 Ų29.20%016%0.162CC..EExtended strand (participates in β ladder)trans-144.395.4-177.3-60.9172.6-172.4670108.4H78 T118 E216 T217 H256 G272 D273 N275H78-K258 VanDerWaalsContact NE2-CE 3.27Å; H78-K258 WeakPolarHBondContact NE2-CE 3.5Å; T118-K258 PolarHBondContact OG1-N 2.97Å; E216-K258 CarbonylContact O-C 3.46Å; E216-K258 VanDerWaalsContact O-CA 3.31Å; E216-K258 WeakPolarHBondContact O-CA 3.26Å; T217-K258 HydrophobicContact CG2-CB 4.07Å; T217-K258 HydrophobicContact CG2-CG 4.18Å; H256-K258 PolarHBondContact CE1-NZ 3.33Å; H256-K258 PolarHBondContact NE2-NZ 3.38Å; H256-K258 PolarHBondContact O-NZ 2.96Å; K258-G272 WeakPolarHBondContact CB-O 3.23Å; K258-G272 PolarHBondContact O-N 3.48Å; K258-D273 WeakPolarHBondContact CD-O 3.35Å; K258-D273 WeakPolarHBondContact CE-O 3.21Å; K258-N275 HydrophobicContact CD-CB 4.38Å
259W98.4Very high95Very high9 Ų928.3 Ų28.33%0.03416%0.158CC..EExtended strand (participates in β ladder)trans-142.1159.6-177.461.4-89.1000111.1E216 I242 V261 C270 I271 Y299 I303E216-W259 HydrophobicContact CB-CD2 3.8Å; E216-W259 HydrophobicContact CB-CE3 4.41Å; E216-W259 HydrophobicContact CB-CG 4.18Å; E216-W259 HydrophobicContact CB-CH2 4.27Å; E216-W259 HydrophobicContact CB-CZ2 3.62Å; E216-W259 HydrophobicContact CG-CZ2 4.13Å; E216-W259 PolarHBondContact N-O 2.96Å; E216-W259 PolarHBondContact O-N 3.13Å; E216-W259 VanDerWaalsContact OE1-CZ2 3.24Å; E216-W259 WeakPolarHBondContact OE1-CZ2 3.24Å; E216-W259 PolarHBondContact OE1-NE1 3.05Å; I242-W259 HydrophobicContact CG2-CZ2 4.48Å; W259-V261 HydrophobicContact CE3-CG1 4.09Å; W259-V261 HydrophobicContact CZ3-CB 4.49Å; W259-V261 HydrophobicContact CZ3-CG1 3.83Å; W259-V261 HydrophobicContact CZ3-CG2 4.05Å; W259-C270 CarbonylContact C-O 3.52Å; W259-C270 WeakPolarHBondContact CA-O 3.27Å; W259-C270 VanDerWaalsContact CB-O 3.23Å; W259-C270 WeakPolarHBondContact CB-O 3.19Å; W259-I271 HydrophobicContact CB-CG1 4.31Å; W259-Y299 HydrophobicContact CB-CE1 4.19Å; W259-Y299 AromaticContact CD2-CD1 3.54Å; W259-Y299 HydrophobicContact CD2-CD1 3.54Å; W259-Y299 AromaticContact CD2-CE1 3.79Å; W259-Y299 HydrophobicContact CD2-CE1 3.79Å; W259-Y299 AromaticContact CE2-CD1 3.95Å; W259-Y299 AromaticContact CE3-CD1 3.45Å; W259-Y299 HydrophobicContact CE3-CD1 3.45Å; W259-Y299 VanDerWaalsContact CE3-CD1 3.45Å; W259-Y299 HydrophobicContact CE3-CE1 4.12Å; W259-Y299 HydrophobicContact CE3-CG 4.33Å; W259-Y299 HydrophobicContact CG-CD1 4.09Å; W259-Y299 AromaticContact CG-CE1 3.83Å; W259-Y299 HydrophobicContact CG-CE1 3.83Å; W259-Y299 HydrophobicContact CH2-CD1 4.17Å; W259-Y299 HydrophobicContact CZ2-CD1 4.27Å; W259-Y299 AromaticContact CZ3-CD1 3.79Å; W259-Y299 HydrophobicContact CZ3-CD1 3.79Å; W259-Y299 HydrophobicContact CZ3-CG 4.43Å; W259-I303 HydrophobicContact CH2-CD1 3.86Å; W259-I303 HydrophobicContact CH2-CG1 3.65Å; W259-I303 HydrophobicContact CZ3-CD1 4.05Å; W259-I303 HydrophobicContact CZ3-CG1 4.33Å
260A98.2Very high95.2Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-139.9150.117500000110.6Y201 L214 V215 V269 C270Y201-A260 HydrophobicContact CD1-CB 4.21Å; Y201-A260 HydrophobicContact CE1-CB 3.96Å; L214-A260 CarbonylContact O-C 3.57Å; L214-A260 WeakPolarHBondContact O-CA 3.28Å; V215-A260 HydrophobicContact CB-CB 4.41Å; V215-A260 HydrophobicContact CG2-CB 3.82Å; A260-V269 CarbonylContact O-C 3.56Å; A260-V269 WeakPolarHBondContact O-CA 3.37Å; A260-C270 HydrophobicContact CB-CB 4.1Å; A260-C270 PolarHBondContact N-O 2.83Å; A260-C270 PolarHBondContact O-N 3.24Å
261V97.1Very high95.3Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-123.7138.8169.5-69.50000110.1L213 L214 W259 F268 V269 Y299 I303L213-V261 WeakPolarHBondContact CA-O 3.25Å; L214-V261 HydrophobicContact CB-CG2 3.94Å; L214-V261 HydrophobicContact CD1-CG2 4.41Å; L214-V261 PolarHBondContact N-O 2.85Å; L214-V261 PolarHBondContact O-N 3.48Å; W259-V261 HydrophobicContact CE3-CG1 4.09Å; W259-V261 HydrophobicContact CZ3-CB 4.49Å; W259-V261 HydrophobicContact CZ3-CG1 3.83Å; W259-V261 HydrophobicContact CZ3-CG2 4.05Å; V261-F268 WeakPolarHBondContact CA-O 3.4Å; V261-V269 HydrophobicContact CG1-CG1 4.47Å; V261-V269 HydrophobicContact CG1-CG2 4.24Å; V261-Y299 HydrophobicContact CG1-CG 4.3Å; V261-I303 HydrophobicContact CG2-CD1 3.66Å
262A94.8Very high95.4Very high3 Ų323.9 Ų23.93%0.02513%0.129CC..EExtended strand (participates in β ladder)trans-85.8-175.8178.100000112.3I211 P212 L213 R266 F268 W296I211-A262 HydrophobicContact CB-CB 4.47Å; I211-A262 HydrophobicContact CD1-CB 3.68Å; I211-A262 HydrophobicContact CG1-CB 3.94Å; I211-A262 HydrophobicContact CG2-CB 3.72Å; P212-A262 WeakPolarHBondContact O-CA 3.39Å; L213-A262 HydrophobicContact CD2-CB 3.83Å; A262-R266 WeakPolarHBondContact CB-O 3.44Å; A262-F268 HydrophobicContact CB-CB 3.84Å; A262-F268 PolarHBondContact N-O 2.77Å; A262-W296 PolarHBondContact O-NE1 3Å
263D85.9Confident95.5Very high33 Ų3324.2 Ų24.218%0.17613%0.131CC..  trans-71.1157.7171.4-173.826000112.9I211 A265 R266 I327 F329I211-D263 HydrophobicContact CD1-CB 3.83Å; I211-D263 HydrophobicContact CG1-CB 3.8Å; D263-A265 PolarHBondContact O-N 3.45Å; D263-A265 VanDerWaalsContact O-N 3.11Å; D263-R266 CarbonylContact O-C 3.5Å; D263-R266 VanDerWaalsContact O-C 3.24Å; D263-R266 PolarHBondContact O-N 3.48Å; D263-R266 VanDerWaalsContact O-N 3.1Å; D263-R266 VanDerWaalsContact O-O 3.14Å; D263-I327 HydrophobicContact CB-CD1 4.13Å; D263-I327 HydrophobicContact CB-CG1 4.47Å; D263-F329 WeakPolarHBondContact OD1-CE2 3.3Å
264Q86.2Confident95.6Very high81 Ų8120.1 Ų20.138%0.37911%0.11SC..THydrogen-bonded Turntrans-53.2-32.6-179.3-172.1174.9-28.200113.1R266 R293 W296Q264-R266 VanDerWaalsContact C-N 3.27Å; Q264-R266 PolarHBondContact O-N 2.61Å; Q264-R293 PolarHBondContact O-NH1 2.95Å; Q264-W296 HydrophobicContact CB-CH2 3.66Å; Q264-W296 HydrophobicContact CB-CZ2 4.01Å; Q264-W296 HydrophobicContact CB-CZ3 4.44Å; Q264-W296 HydrophobicContact CG-CH2 3.85Å; Q264-W296 HydrophobicContact CG-CZ3 4.18Å
265A87.4Confident95.6Very high82 Ų8217.6 Ų17.668%0.67810%0.096SC*.THydrogen-bonded Turntrans-59.4-35.818000000112.9D263D263-A265 PolarHBondContact O-N 3.45Å; D263-A265 VanDerWaalsContact O-N 3.11Å
266R92.8Very high95.6Very high94 Ų9417.4 Ų17.436%0.35510%0.095SC..SBendtrans-138.993.6173.1-58.6170.952.4-167.4-15.4108.5L209 I211 A262 D263 Q264 F268L209-R266 PolarHBondContact O-NH1 3.29Å; L209-R266 PolarHBondContact O-NH2 3.31Å; I211-R266 HydrophobicContact CD1-CB 3.56Å; I211-R266 HydrophobicContact CD1-CG 4.3Å; I211-R266 WeakPolarHBondContact CD1-O 3.28Å; A262-R266 WeakPolarHBondContact CB-O 3.44Å; D263-R266 CarbonylContact O-C 3.5Å; D263-R266 VanDerWaalsContact O-C 3.24Å; D263-R266 PolarHBondContact O-N 3.48Å; D263-R266 VanDerWaalsContact O-N 3.1Å; D263-R266 VanDerWaalsContact O-O 3.14Å; Q264-R266 VanDerWaalsContact C-N 3.27Å; Q264-R266 PolarHBondContact O-N 2.61Å; R266-F268 HydrophobicContact CB-CD2 3.97Å; R266-F268 HydrophobicContact CB-CE2 4.03Å; R266-F268 VanDerWaalsContact NH2-CE2 3.34Å; R266-F268 PolarHBondContact O-N 2.96Å
267P95.5Very high95.6Very high13 Ų1317 Ų178%0.0849%0.093CC..  trans-77.167.3-166.130.5-33.5000111.9N291 S292 R293 W296P267-N291 WeakPolarHBondContact CG-OD1 3.31Å; P267-S292 PolarHBondContact O-N 2.75Å; P267-S292 VanDerWaalsContact O-N 3.17Å; P267-R293 HydrophobicContact CG-CB 4.21Å; P267-W296 HydrophobicContact CB-CB 3.58Å; P267-W296 HydrophobicContact CB-CD2 3.59Å; P267-W296 HydrophobicContact CB-CE3 3.96Å; P267-W296 HydrophobicContact CB-CG 3.38Å
268F97.7Very high95.6Very high9 Ų923.1 Ų23.14%0.03912%0.119CC..EExtended strand (participates in β ladder)trans-76.9136.7173.4-80.1-82.3000110.4H188 L209 V261 A262 R266 C289 F290 N291H188-F268 AromaticContact CD2-CE1 3.86Å; L209-F268 HydrophobicContact CD1-CB 4.37Å; L209-F268 HydrophobicContact CD1-CD1 4.38Å; L209-F268 HydrophobicContact CD1-CD2 4.34Å; L209-F268 HydrophobicContact CD1-CG 4.11Å; L209-F268 HydrophobicContact CD2-CE1 4.28Å; L209-F268 HydrophobicContact CD2-CE2 4.28Å; L209-F268 HydrophobicContact CD2-CZ 4.12Å; V261-F268 WeakPolarHBondContact CA-O 3.4Å; A262-F268 HydrophobicContact CB-CB 3.84Å; A262-F268 PolarHBondContact N-O 2.77Å; R266-F268 HydrophobicContact CB-CD2 3.97Å; R266-F268 HydrophobicContact CB-CE2 4.03Å; R266-F268 VanDerWaalsContact NH2-CE2 3.34Å; R266-F268 PolarHBondContact O-N 2.96Å; F268-C289 HydrophobicContact CD1-CB 4.08Å; F268-F290 WeakPolarHBondContact CA-O 3.33Å; F268-N291 HydrophobicContact CD1-CB 4.24Å; F268-N291 HydrophobicContact CE1-CB 3.98Å; F268-N291 HydrophobicContact CZ-CB 4.14Å
269V98.2Very high95.4Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-115.4131.4164.2-1750000107.4A260 V261 I271 C289 F290 V295 W296 Y299A260-V269 CarbonylContact O-C 3.56Å; A260-V269 WeakPolarHBondContact O-CA 3.37Å; V261-V269 HydrophobicContact CG1-CG1 4.47Å; V261-V269 HydrophobicContact CG1-CG2 4.24Å; V269-I271 HydrophobicContact CG1-CG1 4.46Å; V269-C289 CarbonylContact O-C 3.42Å; V269-C289 VanDerWaalsContact O-CA 3.23Å; V269-C289 WeakPolarHBondContact O-CA 2.88Å; V269-F290 HydrophobicContact CB-CE1 4.33Å; V269-F290 HydrophobicContact CB-CE2 4.44Å; V269-F290 HydrophobicContact CB-CZ 4.1Å; V269-F290 HydrophobicContact CG1-CZ 4.36Å; V269-F290 PolarHBondContact N-O 3.42Å; V269-F290 WeakPolarHBondContact O-CD1 3.33Å; V269-F290 PolarHBondContact O-N 3.01Å; V269-V295 HydrophobicContact CB-CG1 4.44Å; V269-V295 HydrophobicContact CG1-CG1 4.41Å; V269-V295 HydrophobicContact CG2-CB 4.43Å; V269-V295 HydrophobicContact CG2-CG1 4.05Å; V269-W296 HydrophobicContact CG2-CB 3.73Å; V269-W296 HydrophobicContact CG2-CG 4.5Å; V269-Y299 HydrophobicContact CG1-CD2 3.87Å; V269-Y299 HydrophobicContact CG1-CE2 4Å; V269-Y299 HydrophobicContact CG1-CG 4.12Å
270C98.7Very high95.3Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-115.5138.3176.8-53.80000110.2W259 A260 T287 V288 C289W259-C270 CarbonylContact C-O 3.52Å; W259-C270 WeakPolarHBondContact CA-O 3.27Å; W259-C270 VanDerWaalsContact CB-O 3.23Å; W259-C270 WeakPolarHBondContact CB-O 3.19Å; A260-C270 HydrophobicContact CB-CB 4.1Å; A260-C270 PolarHBondContact N-O 2.83Å; A260-C270 PolarHBondContact O-N 3.24Å; C270-T287 HydrophobicContact CB-CG2 4.37Å; C270-V288 CarbonylContact C-O 3.4Å; C270-V288 WeakPolarHBondContact CA-O 3.45Å; C270-C289 HydrophobicContact CB-CB 4.07Å; C270-C289 WeakPolarHBondContact CB-SG 3.33Å; C270-C289 WeakPolarHBondContact SG-CB 3.04Å; C270-C289 CovalentContact SG-SG 2.04Å; C270-C289 PolarHBondContact SG-SG 3.21Å
271I98.6Very high95.2Very high5 Ų526.8 Ų26.83%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-136.3129.5175.9-56.3174.2000107.4L120 W259 V269 T287 V288 F290 Y299L120-I271 HydrophobicContact CB-CB 4.4Å; L120-I271 HydrophobicContact CB-CD1 4.17Å; L120-I271 HydrophobicContact CB-CG2 4.13Å; L120-I271 HydrophobicContact CD1-CD1 4.44Å; L120-I271 HydrophobicContact CD2-CB 4.22Å; L120-I271 HydrophobicContact CD2-CD1 4.36Å; W259-I271 HydrophobicContact CB-CG1 4.31Å; V269-I271 HydrophobicContact CG1-CG1 4.46Å; I271-T287 VanDerWaalsContact C-OG1 3.3Å; I271-T287 PolarHBondContact N-OG1 3.32Å; I271-T287 PolarHBondContact O-OG1 2.85Å; I271-V288 PolarHBondContact N-O 2.86Å; I271-V288 PolarHBondContact O-N 3.33Å; I271-F290 HydrophobicContact CD1-CE1 4.48Å; I271-Y299 WeakPolarHBondContact CD1-OH 3.41Å
272G98Very high95.2Very high2 Ų232 Ų322%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-163.9-156.6-170.400000116K258 G286K258-G272 WeakPolarHBondContact CB-O 3.23Å; K258-G272 PolarHBondContact O-N 3.48Å; G272-G286 WeakPolarHBondContact CA-O 3.17Å
273D98Very high95.3Very high7 Ų733.3 Ų33.34%0.03718%0.178CC..SBendtrans-109-28-164.3-48.5-54.3000114.9H78 S79 K258 G286H78-D273 PolarHBondContact CD2-O 3.47Å; H78-D273 WeakPolarHBondContact O-CB 3.45Å; S79-D273 WeakPolarHBondContact CB-OD2 2.86Å; S79-D273 PolarHBondContact OG-OD1 3.21Å; S79-D273 PolarHBondContact OG-OD2 3.13Å; K258-D273 WeakPolarHBondContact CD-O 3.35Å; K258-D273 WeakPolarHBondContact CE-O 3.21Å; D273-G286 PolarHBondContact N-O 3.22Å; D273-G286 PolarHBondContact OD2-N 3.15Å
274I97.4Very high95.8Very high0 Ų031.9 Ų31.90%017%0.171CC..  trans-96.2129.3-168-63.7-67.5000110.8H78 L200 Y201 T217 Q280H78-I274 HydrophobicContact CB-CD1 4.1Å; L200-I274 HydrophobicContact CB-CB 4.32Å; L200-I274 HydrophobicContact CB-CG2 3.99Å; L200-I274 HydrophobicContact CD2-CB 3.69Å; L200-I274 HydrophobicContact CD2-CG1 3.93Å; L200-I274 HydrophobicContact CD2-CG2 4.29Å; Y201-I274 WeakPolarHBondContact CE2-O 3.08Å; Y201-I274 PolarHBondContact OH-O 3.45Å; T217-I274 WeakPolarHBondContact CG2-O 3.43Å; I274-Q280 HydrophobicContact CG2-CB 3.93Å; I274-Q280 HydrophobicContact CG2-CG 4.45Å
275N96.7Very high96.4Very high3 Ų328 Ų282%0.01615%0.153CC..  trans-89.4165.4167.573.924.9000112T217 W218 K258 Q277 Q280T217-N275 VanDerWaalsContact CB-CA 3.5Å; T217-N275 HydrophobicContact CG2-CB 4.4Å; W218-N275 HydrophobicContact CB-CB 4.06Å; K258-N275 HydrophobicContact CD-CB 4.38Å; N275-Q277 PolarHBondContact ND2-OE1 2.71Å; N275-Q277 PolarHBondContact O-N 2.94Å; N275-Q277 VanDerWaalsContact OD1-CB 3.24Å; N275-Q277 WeakPolarHBondContact OD1-CB 3.03Å; N275-Q277 VanDerWaalsContact OD1-CG 3.26Å; N275-Q277 WeakPolarHBondContact OD1-CG 3.08Å; N275-Q277 PolarHBondContact OD1-N 2.83Å; N275-Q277 VanDerWaalsContact OD1-N 3.12Å; N275-Q280 WeakPolarHBondContact O-CG 3.5Å; N275-Q280 WeakPolarHBondContact OD1-CG 3.31Å
276R97.1Very high96.9Very high5 Ų524.1 Ų24.12%0.01912%0.12CC..SBendtrans-88.548178.1-66.7-174.964.8-16911.7112.2Y201 V215 T217 L226 P227 V236 E237 N238Y201-R276 HydrophobicContact CD2-CG 3.88Å; Y201-R276 HydrophobicContact CE2-CG 4.32Å; V215-R276 VanDerWaalsContact CG1-CD 3.5Å; V215-R276 HydrophobicContact CG1-CG 4.06Å; T217-R276 HydrophobicContact CG2-CG 4.47Å; T217-R276 PolarHBondContact OG1-N 3.39Å; L226-R276 WeakPolarHBondContact CB-O 3.42Å; L226-R276 PolarHBondContact N-O 3.05Å; P227-R276 PolarHBondContact O-NH2 2.82Å; P227-R276 VanDerWaalsContact O-NH2 3.15Å; V236-R276 VanDerWaalsContact CG1-CZ 3.46Å; V236-R276 PolarHBondContact O-NH1 2.98Å; V236-R276 VanDerWaalsContact O-NH1 3.09Å; V236-R276 PolarHBondContact O-NH2 3.06Å; E237-R276 VanDerWaalsContact C-NH1 3.31Å; E237-R276 PolarHBondContact O-NH1 3.06Å; N238-R276 VanDerWaalsContact OD1-CD 3.23Å; N238-R276 WeakPolarHBondContact OD1-CD 3.4Å; N238-R276 VanDerWaalsContact OD1-CZ 3.24Å; N238-R276 PolarHBondContact OD1-NE 3.38Å; N238-R276 PolarHBondContact OD1-NH1 3.28Å
277Q95.9Very high97.2Very high9 Ų919.7 Ų19.74%0.04210%0.104CC..BIsolated β-bridgetrans-103.6144.1170.2-58-169.6-65.800110.9S223 T224 N225 N275 G279 Q280S223-Q277 PolarHBondContact O-NE2 2.84Å; T224-Q277 WeakPolarHBondContact O-CA 3.42Å; N225-Q277 WeakPolarHBondContact OD1-CG 3.07Å; N225-Q277 PolarHBondContact OD1-NE2 2.94Å; N275-Q277 PolarHBondContact ND2-OE1 2.71Å; N275-Q277 PolarHBondContact O-N 2.94Å; N275-Q277 VanDerWaalsContact OD1-CB 3.24Å; N275-Q277 WeakPolarHBondContact OD1-CB 3.03Å; N275-Q277 VanDerWaalsContact OD1-CG 3.26Å; N275-Q277 WeakPolarHBondContact OD1-CG 3.08Å; N275-Q277 PolarHBondContact OD1-N 2.83Å; N275-Q277 VanDerWaalsContact OD1-N 3.12Å; Q277-G279 PolarHBondContact O-N 3.15Å; Q277-G279 VanDerWaalsContact O-N 3.09Å; Q277-Q280 WeakPolarHBondContact O-CB 3.14Å; Q277-Q280 PolarHBondContact O-N 2.71Å
278K96.5Very high97.4Very high131 Ų13119 Ų1957%0.5710%0.1SC*.G310 helixtrans-53-37.3-175.8-173.2175-178.5175.80112.6T224 L226 Q280 I281T224-K278 PolarHBondContact O-N 3.16Å; L226-K278 HydrophobicContact CD2-CB 4.15Å; K278-Q280 PolarHBondContact O-N 3.5Å; K278-I281 HydrophobicContact CG-CD1 4.26Å; K278-I281 WeakPolarHBondContact O-CB 3.26Å; K278-I281 WeakPolarHBondContact O-CG1 3.47Å; K278-I281 PolarHBondContact O-N 3.22Å
279G94.4Very high97.4Very high32 Ų3218.6 Ų18.633%0.3310%0.098SC..G310 helixtrans-59.7-25.6176.100000114.9S223 Q277 I281S223-G279 PolarHBondContact OG-N 3.09Å; Q277-G279 PolarHBondContact O-N 3.15Å; Q277-G279 VanDerWaalsContact O-N 3.09Å; G279-I281 VanDerWaalsContact C-N 3.31Å; G279-I281 PolarHBondContact O-N 2.91Å
280Q96Very high97.4Very high16 Ų1619.9 Ų19.98%0.07510%0.103CC..G310 helixtrans-78.8-11.7179.3-56.1-59-30.400113.9H78 K192 I274 N275 Q277 K278 N282 R283H78-Q280 PolarHBondContact CD2-OE1 2.67Å; K192-Q280 WeakPolarHBondContact CE-O 3.19Å; K192-Q280 PolarHBondContact NZ-O 3.31Å; I274-Q280 HydrophobicContact CG2-CB 3.93Å; I274-Q280 HydrophobicContact CG2-CG 4.45Å; N275-Q280 WeakPolarHBondContact O-CG 3.5Å; N275-Q280 WeakPolarHBondContact OD1-CG 3.31Å; Q277-Q280 WeakPolarHBondContact O-CB 3.14Å; Q277-Q280 PolarHBondContact O-N 2.71Å; K278-Q280 PolarHBondContact O-N 3.5Å; Q280-N282 PolarHBondContact O-N 2.78Å; Q280-R283 PolarHBondContact O-N 3.36Å; Q280-R283 VanDerWaalsContact O-N 3.15Å
281I97Very high97.3Very high38 Ų3824.2 Ų24.220%0.19513%0.127CC..G310 helixtrans-54.2-38.8173.7-68.8176000110.1K192 G197 L226 K278 G279K192-I281 PolarHBondContact NZ-O 2.79Å; G197-I281 VanDerWaalsContact O-CG2 3.24Å; G197-I281 WeakPolarHBondContact O-CG2 3.21Å; L226-I281 HydrophobicContact CD1-CD1 4.33Å; L226-I281 HydrophobicContact CD1-CG1 4.45Å; L226-I281 HydrophobicContact CD2-CD1 4.47Å; K278-I281 HydrophobicContact CG-CD1 4.26Å; K278-I281 WeakPolarHBondContact O-CB 3.26Å; K278-I281 WeakPolarHBondContact O-CG1 3.47Å; K278-I281 PolarHBondContact O-N 3.22Å; G279-I281 VanDerWaalsContact C-N 3.31Å; G279-I281 PolarHBondContact O-N 2.91Å
282N95.7Very high97.1Very high109 Ų10925.6 Ų25.658%0.58314%0.137SC*.G310 helixtrans-99.420.1-177.2-60.4-39.7000113.8K194 Q280K194-N282 VanDerWaalsContact CB-O 3.28Å; K194-N282 WeakPolarHBondContact CB-O 3.26Å; Q280-N282 PolarHBondContact O-N 2.78Å
283R96.7Very high97Very high31 Ų3130 Ų3012%0.11715%0.153CC..SBendtrans-118.2145.2176.2-63.4-168.766.9-161.62.5110.6D65 A76 H78 K192 Q280D65-R283 VanDerWaalsContact CB-NH2 3.32Å; D65-R283 IonicContact OD2-CZ 2.7Å; D65-R283 IonicContact OD2-NH1 3.49Å; D65-R283 PolarHBondContact OD2-NH1 2.92Å; D65-R283 VanDerWaalsContact OD2-NH1 3.14Å; D65-R283 IonicContact OD2-NH2 3.2Å; D65-R283 PolarHBondContact OD2-NH2 3.19Å; A76-R283 PolarHBondContact O-NH2 3.16Å; H78-R283 HydrophobicContact CB-CB 4.49Å; H78-R283 VanDerWaalsContact CB-NH1 3.32Å; H78-R283 VanDerWaalsContact CG-NH1 3.34Å; H78-R283 PolarHBondContact ND1-NH1 3.2Å; H78-R283 VanDerWaalsContact ND1-NH1 3.18Å; K192-R283 WeakPolarHBondContact CE-O 3.2Å; Q280-R283 PolarHBondContact O-N 3.36Å; Q280-R283 VanDerWaalsContact O-N 3.15Å
284G98Very high96.9Very high2 Ų237.8 Ų37.82%0.02118%0.181CC..  trans-74.4160.1169.900000111.2A77 H78 K192A77-G284 CarbonylContact C-O 3.58Å; A77-G284 WeakPolarHBondContact CA-O 3.17Å; A77-G284 WeakPolarHBondContact CB-O 3.5Å; H78-G284 PolarHBondContact N-O 3.18Å; K192-G284 VanDerWaalsContact O-CA 3.24Å; K192-G284 WeakPolarHBondContact O-CA 3.21Å
285G98.4Very high96.9Very high0 Ų038.4 Ų38.40%019%0.185CC..EExtended strand (participates in β ladder)trans153.4179.2176.700000110.8N139 K192N139-G285 WeakPolarHBondContact ND2-CA 3.41Å; N139-G285 PolarHBondContact ND2-O 3.46Å; K192-G285 WeakPolarHBondContact CG-O 3.31Å; K192-G285 PolarHBondContact N-O 2.6Å; K192-G285 PolarHBondContact O-N 2.97Å
286G98.5Very high97Very high0 Ų038.8 Ų38.80%019%0.187CC..EExtended strand (participates in β ladder)trans-151.2-171.4-177.100000115.2F190 G272 D273F190-G286 CarbonylContact O-C 3.59Å; F190-G286 WeakPolarHBondContact O-CA 3.03Å; G272-G286 WeakPolarHBondContact CA-O 3.17Å; D273-G286 PolarHBondContact N-O 3.22Å; D273-G286 PolarHBondContact OD2-N 3.15Å
287T98.8Very high96.9Very high1 Ų142 Ų421%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-148.4140.5170.2-165.80000110.5H189 F190 L200 Y201 V205 C270 I271H189-T287 PolarHBondContact CD2-O 2.86Å; F190-T287 HydrophobicContact CB-CG2 4.26Å; F190-T287 HydrophobicContact CD2-CG2 4.21Å; F190-T287 PolarHBondContact N-O 3.42Å; F190-T287 PolarHBondContact O-N 2.86Å; L200-T287 HydrophobicContact CD2-CG2 4.07Å; Y201-T287 HydrophobicContact CE1-CG2 4.29Å; V205-T287 HydrophobicContact CG2-CG2 3.65Å; C270-T287 HydrophobicContact CB-CG2 4.37Å; I271-T287 VanDerWaalsContact C-OG1 3.3Å; I271-T287 PolarHBondContact N-OG1 3.32Å; I271-T287 PolarHBondContact O-OG1 2.85Å
288V98.7Very high96.9Very high0 Ų042.7 Ų42.70%021%0.207CC..EExtended strand (participates in β ladder)trans-95.9120.8172.3176.30000108.5I94 L120 I122 F187 H188 H189 C270 I271I94-V288 HydrophobicContact CD1-CB 4.33Å; I94-V288 HydrophobicContact CD1-CG2 3.29Å; L120-V288 HydrophobicContact CD2-CB 4.1Å; L120-V288 HydrophobicContact CD2-CG1 4.08Å; I122-V288 HydrophobicContact CD1-CG1 4.18Å; F187-V288 HydrophobicContact CB-CG1 3.81Å; F187-V288 HydrophobicContact CD1-CG1 3.56Å; F187-V288 HydrophobicContact CG-CG1 4.08Å; H188-V288 CarbonylContact O-C 3.55Å; H188-V288 WeakPolarHBondContact O-CA 3.07Å; H189-V288 VanDerWaalsContact CD2-CG2 3.45Å; H189-V288 WeakPolarHBondContact CD2-CG2 3.44Å; C270-V288 CarbonylContact C-O 3.4Å; C270-V288 WeakPolarHBondContact CA-O 3.45Å; I271-V288 PolarHBondContact N-O 2.86Å; I271-V288 PolarHBondContact O-N 3.33Å
289C98.6Very high96.9Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-108.3141172.8-56.40000111.6F187 H188 F190 L209 F268 V269 C270F187-C289 CarbonylContact C-O 3.47Å; H188-C289 HydrophobicContact CB-CB 4.42Å; H188-C289 PolarHBondContact N-O 3.19Å; H188-C289 PolarHBondContact O-N 3.39Å; F190-C289 HydrophobicContact CE2-CB 4.1Å; L209-C289 HydrophobicContact CD1-CB 4.39Å; F268-C289 HydrophobicContact CD1-CB 4.08Å; V269-C289 CarbonylContact O-C 3.42Å; V269-C289 VanDerWaalsContact O-CA 3.23Å; V269-C289 WeakPolarHBondContact O-CA 2.88Å; C270-C289 HydrophobicContact CB-CB 4.07Å; C270-C289 WeakPolarHBondContact CB-SG 3.33Å; C270-C289 WeakPolarHBondContact SG-CB 3.04Å; C270-C289 CovalentContact SG-SG 2.04Å; C270-C289 PolarHBondContact SG-SG 3.21Å
290F97.9Very high96.9Very high26 Ų2636.7 Ų36.711%0.11417%0.171CC..EExtended strand (participates in β ladder)trans-143.3150.1173.857.8-80.9000110.6L120 F187 F268 V269 I271 V295L120-F290 HydrophobicContact CD2-CE1 4.39Å; F187-F290 HydrophobicContact CD1-CB 3.57Å; F187-F290 AromaticContact CD1-CD1 3.8Å; F187-F290 HydrophobicContact CD1-CD1 3.8Å; F187-F290 AromaticContact CD1-CG 3.88Å; F187-F290 HydrophobicContact CD1-CG 3.88Å; F187-F290 HydrophobicContact CE1-CB 3.86Å; F187-F290 AromaticContact CE1-CD1 3.76Å; F187-F290 HydrophobicContact CE1-CD1 3.76Å; F187-F290 HydrophobicContact CE1-CD2 4.46Å; F187-F290 HydrophobicContact CE1-CE1 4.45Å; F187-F290 AromaticContact CE1-CG 3.77Å; F187-F290 HydrophobicContact CE1-CG 3.77Å; F187-F290 HydrophobicContact CG-CB 4.31Å; F268-F290 WeakPolarHBondContact CA-O 3.33Å; V269-F290 HydrophobicContact CB-CE1 4.33Å; V269-F290 HydrophobicContact CB-CE2 4.44Å; V269-F290 HydrophobicContact CB-CZ 4.1Å; V269-F290 HydrophobicContact CG1-CZ 4.36Å; V269-F290 PolarHBondContact N-O 3.42Å; V269-F290 WeakPolarHBondContact O-CD1 3.33Å; V269-F290 PolarHBondContact O-N 3.01Å; I271-F290 HydrophobicContact CD1-CE1 4.48Å; F290-V295 HydrophobicContact CE2-CB 4.17Å; F290-V295 HydrophobicContact CE2-CG1 3.99Å; F290-V295 HydrophobicContact CE2-CG2 4.3Å; F290-V295 HydrophobicContact CZ-CG1 3.98Å
291N95.7Very high96.8Very high92 Ų9241.3 Ų41.349%0.49220%0.196SC..EExtended strand (participates in β ladder)trans-92.3112.5180-173.7-19.4000109.2P267 F268P267-N291 WeakPolarHBondContact CG-OD1 3.31Å; F268-N291 HydrophobicContact CD1-CB 4.24Å; F268-N291 HydrophobicContact CE1-CB 3.98Å; F268-N291 HydrophobicContact CZ-CB 4.14Å
292S95.5Very high96.7Very high33 Ų3339.8 Ų39.823%0.23119%0.188CC..  trans-150.4107.9175.9175.10000109.4P267 R294 V295 W296P267-S292 PolarHBondContact O-N 2.75Å; P267-S292 VanDerWaalsContact O-N 3.17Å; S292-R294 VanDerWaalsContact C-N 3.31Å; S292-R294 PolarHBondContact O-N 3.41Å; S292-V295 PolarHBondContact O-N 3.18Å; S292-V295 WeakPolarHBondContact OG-CG2 3.44Å; S292-V295 PolarHBondContact OG-N 3.14Å; S292-W296 WeakPolarHBondContact O-CB 3.26Å; S292-W296 PolarHBondContact O-N 2.73Å
293R96Very high96.7Very high96 Ų9635.3 Ų35.336%0.36216%0.164SC..Hα-helixtrans-54-47-179.2-17962.1179.5-147.93.9112.6Q264 P267 W296 E297Q264-R293 PolarHBondContact O-NH1 2.95Å; P267-R293 HydrophobicContact CG-CB 4.21Å; R293-W296 PolarHBondContact O-N 3.28Å; R293-E297 IonicContact CZ-OE1 3.38Å; R293-E297 IonicContact NE-OE1 3.14Å; R293-E297 PolarHBondContact NE-OE1 2.9Å; R293-E297 IonicContact NH2-OE1 2.73Å; R293-E297 WeakPolarHBondContact O-CG 3.45Å; R293-E297 PolarHBondContact O-N 2.96Å
294R96.6Very high96.6Very high169 Ų16937.4 Ų37.464%0.63818%0.177SC*.Hα-helixtrans-65.8-44.4-177.5-67.5-176.5175.4178.3-3.8112.2P26 S292 E297 V298P26-R294 HydrophobicContact CB-CB 3.98Å; P26-R294 HydrophobicContact CG-CB 3.9Å; P26-R294 VanDerWaalsContact CG-CD 3.49Å; P26-R294 HydrophobicContact CG-CG 4.36Å; S292-R294 VanDerWaalsContact C-N 3.31Å; S292-R294 PolarHBondContact O-N 3.41Å; R294-E297 PolarHBondContact O-N 3.35Å; R294-V298 WeakPolarHBondContact O-CG2 3.41Å; R294-V298 PolarHBondContact O-N 2.82Å
295V97Very high96.3Very high13 Ų1340.4 Ų40.48%0.07919%0.193CC..Hα-helixtrans-68.6-41.3178.3-179.80000110.1M21 P26 V269 F290 S292 E297 V298 Y299M21-V295 HydrophobicContact SD-CB 4.43Å; M21-V295 HydrophobicContact SD-CG1 3.79Å; M21-V295 HydrophobicContact SD-CG2 4.03Å; P26-V295 HydrophobicContact CB-CG2 4.06Å; V269-V295 HydrophobicContact CB-CG1 4.44Å; V269-V295 HydrophobicContact CG1-CG1 4.41Å; V269-V295 HydrophobicContact CG2-CB 4.43Å; V269-V295 HydrophobicContact CG2-CG1 4.05Å; F290-V295 HydrophobicContact CE2-CB 4.17Å; F290-V295 HydrophobicContact CE2-CG1 3.99Å; F290-V295 HydrophobicContact CE2-CG2 4.3Å; F290-V295 HydrophobicContact CZ-CG1 3.98Å; S292-V295 PolarHBondContact O-N 3.18Å; S292-V295 WeakPolarHBondContact OG-CG2 3.44Å; S292-V295 PolarHBondContact OG-N 3.14Å; V295-E297 PolarHBondContact O-N 2.9Å; V295-V298 WeakPolarHBondContact O-CB 3.43Å; V295-V298 PolarHBondContact O-N 3.11Å; V295-Y299 HydrophobicContact CG1-CD2 3.77Å; V295-Y299 HydrophobicContact CG1-CE2 3.76Å; V295-Y299 WeakPolarHBondContact O-CD2 3.28Å; V295-Y299 PolarHBondContact O-N 2.93Å
296W97.3Very high95.9Very high12 Ų1242.9 Ų42.95%0.04520%0.204CC..Hα-helixtrans-59-46.2175.1174.886000112.6A262 Q264 P267 V269 S292 R293 V298 Y299 R300A262-W296 PolarHBondContact O-NE1 3Å; Q264-W296 HydrophobicContact CB-CH2 3.66Å; Q264-W296 HydrophobicContact CB-CZ2 4.01Å; Q264-W296 HydrophobicContact CB-CZ3 4.44Å; Q264-W296 HydrophobicContact CG-CH2 3.85Å; Q264-W296 HydrophobicContact CG-CZ3 4.18Å; P267-W296 HydrophobicContact CB-CB 3.58Å; P267-W296 HydrophobicContact CB-CD2 3.59Å; P267-W296 HydrophobicContact CB-CE3 3.96Å; P267-W296 HydrophobicContact CB-CG 3.38Å; V269-W296 HydrophobicContact CG2-CB 3.73Å; V269-W296 HydrophobicContact CG2-CG 4.5Å; S292-W296 WeakPolarHBondContact O-CB 3.26Å; S292-W296 PolarHBondContact O-N 2.73Å; R293-W296 PolarHBondContact O-N 3.28Å; W296-V298 PolarHBondContact O-N 3.45Å; W296-Y299 PolarHBondContact O-N 3.45Å; W296-R300 HydrophobicContact CD2-CB 4.38Å; W296-R300 HydrophobicContact CH2-CB 4.46Å; W296-R300 HydrophobicContact CH2-CG 4.11Å; W296-R300 HydrophobicContact CZ2-CB 4.15Å; W296-R300 HydrophobicContact CZ2-CG 3.88Å; W296-R300 WeakPolarHBondContact O-CB 3.36Å; W296-R300 PolarHBondContact O-N 3.22Å
297E95.9Very high95.6Very high71 Ų7145.4 Ų45.433%0.33222%0.215SC..Hα-helixtrans-56.4-42.1175.7-78.6167.2176.200111R293 R294 V295 N301R293-E297 IonicContact CZ-OE1 3.38Å; R293-E297 IonicContact NE-OE1 3.14Å; R293-E297 PolarHBondContact NE-OE1 2.9Å; R293-E297 IonicContact NH2-OE1 2.73Å; R293-E297 WeakPolarHBondContact O-CG 3.45Å; R293-E297 PolarHBondContact O-N 2.96Å; R294-E297 PolarHBondContact O-N 3.35Å; V295-E297 PolarHBondContact O-N 2.9Å; E297-N301 WeakPolarHBondContact O-CB 3.38Å; E297-N301 PolarHBondContact O-N 2.93Å; E297-N301 PolarHBondContact O-ND2 2.89Å; E297-N301 VanDerWaalsContact O-ND2 3.17Å
298V96Very high94.9Very high25 Ų2552.7 Ų52.715%0.15225%0.25CC..Hα-helixtrans-65.2-48-179.7173.40000111.8M21 W28 R294 V295 W296 S302M21-V298 HydrophobicContact CE-CB 4.11Å; M21-V298 HydrophobicContact CE-CG1 3.46Å; M21-V298 VanDerWaalsContact CE-CG1 3.46Å; W28-V298 HydrophobicContact CB-CG1 4.32Å; W28-V298 HydrophobicContact CD2-CG1 3.85Å; W28-V298 HydrophobicContact CG-CG1 3.52Å; W28-V298 HydrophobicContact CZ2-CG1 4.46Å; R294-V298 WeakPolarHBondContact O-CG2 3.41Å; R294-V298 PolarHBondContact O-N 2.82Å; V295-V298 WeakPolarHBondContact O-CB 3.43Å; V295-V298 PolarHBondContact O-N 3.11Å; W296-V298 PolarHBondContact O-N 3.45Å; V298-S302 PolarHBondContact O-N 2.87Å; V298-S302 PolarHBondContact O-OG 3.03Å
299Y96.6Very high94.2Very high13 Ų1353 Ų535%0.05125%0.252CS..Hα-helixtrans-68-42.5176.7-84.4-94.4000112M21 W28 W259 V261 V269 I271 V295 W296 N301 S302M21-Y299 HydrophobicContact CE-CE2 4.27Å; M21-Y299 HydrophobicContact SD-CE2 4.49Å; W28-Y299 HydrophobicContact CH2-CE1 4.32Å; W28-Y299 AromaticContact CH2-CE2 3.86Å; W28-Y299 HydrophobicContact CH2-CE2 3.86Å; W28-Y299 AromaticContact CH2-CZ 3.64Å; W28-Y299 WeakPolarHBondContact CH2-OH 3.3Å; W28-Y299 HydrophobicContact CZ2-CD1 4.34Å; W28-Y299 HydrophobicContact CZ2-CD2 4.14Å; W28-Y299 AromaticContact CZ2-CE1 3.94Å; W28-Y299 HydrophobicContact CZ2-CE1 3.94Å; W28-Y299 AromaticContact CZ2-CE2 3.69Å; W28-Y299 HydrophobicContact CZ2-CE2 3.69Å; W28-Y299 HydrophobicContact CZ2-CG 4.46Å; W28-Y299 AromaticContact CZ2-CZ 3.6Å; W259-Y299 HydrophobicContact CB-CE1 4.19Å; W259-Y299 AromaticContact CD2-CD1 3.54Å; W259-Y299 HydrophobicContact CD2-CD1 3.54Å; W259-Y299 AromaticContact CD2-CE1 3.79Å; W259-Y299 HydrophobicContact CD2-CE1 3.79Å; W259-Y299 AromaticContact CE2-CD1 3.95Å; W259-Y299 AromaticContact CE3-CD1 3.45Å; W259-Y299 HydrophobicContact CE3-CD1 3.45Å; W259-Y299 VanDerWaalsContact CE3-CD1 3.45Å; W259-Y299 HydrophobicContact CE3-CE1 4.12Å; W259-Y299 HydrophobicContact CE3-CG 4.33Å; W259-Y299 HydrophobicContact CG-CD1 4.09Å; W259-Y299 AromaticContact CG-CE1 3.83Å; W259-Y299 HydrophobicContact CG-CE1 3.83Å; W259-Y299 HydrophobicContact CH2-CD1 4.17Å; W259-Y299 HydrophobicContact CZ2-CD1 4.27Å; W259-Y299 AromaticContact CZ3-CD1 3.79Å; W259-Y299 HydrophobicContact CZ3-CD1 3.79Å; W259-Y299 HydrophobicContact CZ3-CG 4.43Å; V261-Y299 HydrophobicContact CG1-CG 4.3Å; V269-Y299 HydrophobicContact CG1-CD2 3.87Å; V269-Y299 HydrophobicContact CG1-CE2 4Å; V269-Y299 HydrophobicContact CG1-CG 4.12Å; I271-Y299 WeakPolarHBondContact CD1-OH 3.41Å; V295-Y299 HydrophobicContact CG1-CD2 3.77Å; V295-Y299 HydrophobicContact CG1-CE2 3.76Å; V295-Y299 WeakPolarHBondContact O-CD2 3.28Å; V295-Y299 PolarHBondContact O-N 2.93Å; W296-Y299 PolarHBondContact O-N 3.45Å; Y299-N301 PolarHBondContact O-N 3.3Å; Y299-S302 VanDerWaalsContact O-CB 3.25Å; Y299-S302 WeakPolarHBondContact O-CB 3.39Å; Y299-S302 PolarHBondContact O-N 3.2Å; Y299-S302 VanDerWaalsContact O-N 3.07Å
300R94.4Very high93.3Very high24 Ų2456.9 Ų56.99%0.09128%0.277CS..Hα-helixtrans-65.4-39.7-179.7178.554.6-176.4680.6112.4W296 S302 I303 F329W296-R300 HydrophobicContact CD2-CB 4.38Å; W296-R300 HydrophobicContact CH2-CB 4.46Å; W296-R300 HydrophobicContact CH2-CG 4.11Å; W296-R300 HydrophobicContact CZ2-CB 4.15Å; W296-R300 HydrophobicContact CZ2-CG 3.88Å; W296-R300 WeakPolarHBondContact O-CB 3.36Å; W296-R300 PolarHBondContact O-N 3.22Å; R300-S302 PolarHBondContact O-N 3.19Å; R300-I303 PolarHBondContact O-N 3.42Å; R300-F329 PolarHBondContact NH2-O 3.41Å
301N94Very high92Very high113 Ų11359.7 Ų59.760%0.60429%0.293SS*.THydrogen-bonded Turntrans-72.7-12.6175.4-67.5-16.2000112.7E297 Y299 I303E297-N301 WeakPolarHBondContact O-CB 3.38Å; E297-N301 PolarHBondContact O-N 2.93Å; E297-N301 PolarHBondContact O-ND2 2.89Å; E297-N301 VanDerWaalsContact O-ND2 3.17Å; Y299-N301 PolarHBondContact O-N 3.3Å; N301-I303 VanDerWaalsContact C-N 3.33Å
302S95.4Very high90.7Very high5 Ų558.4 Ų58.44%0.03528%0.281CS..THydrogen-bonded Turntrans-79.3-16.4172.8-560000112.2W28 I242 R243 P244 V298 Y299 R300W28-S302 PolarHBondContact NE1-OG 2.65Å; I242-S302 CarbonylContact C-O 3.1Å; I242-S302 VanDerWaalsContact CA-O 3.22Å; I242-S302 WeakPolarHBondContact CA-O 3.09Å; I242-S302 VanDerWaalsContact CG2-O 3.24Å; I242-S302 WeakPolarHBondContact CG2-O 3.49Å; R243-S302 PolarHBondContact N-O 3.12Å; R243-S302 WeakPolarHBondContact O-CA 3.47Å; P244-S302 WeakPolarHBondContact CA-OG 3.43Å; V298-S302 PolarHBondContact O-N 2.87Å; V298-S302 PolarHBondContact O-OG 3.03Å; Y299-S302 VanDerWaalsContact O-CB 3.25Å; Y299-S302 WeakPolarHBondContact O-CB 3.39Å; Y299-S302 PolarHBondContact O-N 3.2Å; Y299-S302 VanDerWaalsContact O-N 3.07Å; R300-S302 PolarHBondContact O-N 3.19Å
303I94.9Very high89.5Confident16 Ų1663.1 Ų63.18%0.08230%0.304CS..EExtended strand (participates in β ladder)trans-81.1124.8-178.9-61.6171.6000109.4L214 V239 W259 V261 R300 N301L214-I303 HydrophobicContact CB-CD1 3.81Å; L214-I303 HydrophobicContact CD1-CD1 3.54Å; L214-I303 HydrophobicContact CG-CD1 4.32Å; V239-I303 HydrophobicContact CG1-CG1 4.27Å; V239-I303 HydrophobicContact CG1-CG2 4.15Å; V239-I303 HydrophobicContact CG2-CD1 3.73Å; V239-I303 HydrophobicContact CG2-CG1 3.97Å; V239-I303 HydrophobicContact CG2-CG2 4.28Å; W259-I303 HydrophobicContact CH2-CD1 3.86Å; W259-I303 HydrophobicContact CH2-CG1 3.65Å; W259-I303 HydrophobicContact CZ3-CD1 4.05Å; W259-I303 HydrophobicContact CZ3-CG1 4.33Å; V261-I303 HydrophobicContact CG2-CD1 3.66Å; R300-I303 PolarHBondContact O-N 3.42Å; N301-I303 VanDerWaalsContact C-N 3.33Å
304L93.8Very high88.4Confident74 Ų7466.9 Ų66.939%0.38732%0.323SS..EExtended strand (participates in β ladder)trans-101.7-36.2174.7-74.7-172.9000113.5H241 R243H241-L304 HydrophobicContact CB-CB 4.27Å; H241-L304 WeakPolarHBondContact O-CB 3.48Å; H241-L304 PolarHBondContact O-N 3.04Å; R243-L304 HydrophobicContact CB-CD1 3.48Å; R243-L304 VanDerWaalsContact CB-CD1 3.48Å; R243-L304 HydrophobicContact CB-CD2 4.09Å; R243-L304 HydrophobicContact CB-CG 3.62Å; R243-L304 HydrophobicContact CG-CD1 4.36Å
305D92.5Very high87.1Confident66 Ų6660 Ų6035%0.35330%0.298SS..EExtended strand (participates in β ladder)trans-149.6153.9-176.2-171.829.9000110.4K240 H241K240-D305 HydrophobicContact CB-CB 4.25Å; K240-D305 WeakPolarHBondContact CE-OD2 3.05Å; K240-D305 PolarHBondContact N-O 2.66Å; K240-D305 IonicContact NZ-OD2 2.77Å; K240-D305 PolarHBondContact NZ-OD2 3.26Å; H241-D305 HydrophobicContact CB-CB 3.93Å; H241-D305 PolarHBondContact N-O 2.87Å; H241-D305 PolarHBondContact O-N 2.9Å
306F90.8Very high86.2Confident51 Ų5161.8 Ų61.822%0.22431%0.311CS..EExtended strand (participates in β ladder)trans-140.6157.8177.455.4-92.5000111E237 N238 E308E237-F306 WeakPolarHBondContact OE1-CD2 3.28Å; E237-F306 VanDerWaalsContact OE1-CE2 3.28Å; E237-F306 WeakPolarHBondContact OE1-CE2 3.28Å; N238-F306 CarbonylContact O-C 3.24Å; N238-F306 WeakPolarHBondContact O-CA 3.23Å; N238-F306 VanDerWaalsContact O-CB 3.27Å; N238-F306 WeakPolarHBondContact O-CB 3.18Å; F306-E308 PolarHBondContact O-N 2.78Å
307E91.7Very high85.2Confident53 Ų5366.9 Ų66.925%0.24834%0.339CS..PPolyproline II helixtrans-73.3125.4-177.7-174.3-163.2173.600111P227 S228 N238 K240P227-E307 WeakPolarHBondContact CA-OE1 3.41Å; S228-E307 PolarHBondContact N-OE2 3.21Å; S228-E307 VanDerWaalsContact N-OE2 3.12Å; S228-E307 WeakPolarHBondContact OG-CB 3.47Å; S228-E307 PolarHBondContact OG-O 2.89Å; N238-E307 HydrophobicContact CB-CB 3.99Å; N238-E307 WeakPolarHBondContact CB-OE2 3.26Å; N238-E307 PolarHBondContact ND2-OE2 2.95Å; N238-E307 PolarHBondContact O-N 3.41Å; K240-E307 HydrophobicContact CD-CB 3.93Å; K240-E307 HydrophobicContact CG-CB 4.11Å
308E84.2Confident84.3Confident155 Ų15567.3 Ų67.372%0.72435%0.35SS*.PPolyproline II helixtrans-59.2153171.9-64.5-176.9174.300111.5F306F306-E308 PolarHBondContact O-N 2.78Å
309C83.8Confident83.1Confident7 Ų770.7 Ų70.75%0.04736%0.364CS..PPolyproline II helixtrans-79.1131.2179.3-55.80000110.7C230 L311 Y312 F315 W323 R326C230-C309 HydrophobicContact CB-CB 3.52Å; C230-C309 WeakPolarHBondContact CB-SG 3.47Å; C230-C309 WeakPolarHBondContact SG-CB 3.47Å; C230-C309 CovalentContact SG-SG 1.97Å; C230-C309 PolarHBondContact SG-SG 3.46Å; C309-L311 PolarHBondContact O-N 3.4Å; C309-Y312 PolarHBondContact O-N 2.68Å; C309-F315 HydrophobicContact CB-CE2 4.47Å; C309-W323 HydrophobicContact CB-CZ2 3.67Å; C309-W323 VanDerWaalsContact SG-CE2 3.54Å; C309-W323 WeakPolarHBondContact SG-CZ2 3.48Å; C309-W323 PolarHBondContact SG-NE1 3.25Å; C309-R326 PolarHBondContact SG-NH1 3Å; C309-R326 PolarHBondContact SG-NH2 3.18Å
310P79.7Confident81.8Confident81 Ų8172.2 Ų72.253%0.52637%0.372SS..THydrogen-bonded Turntrans-58.8-11.2-176.2-26.833.2000116.8P227P227-P310 HydrophobicContact CB-CG 3.58Å; P227-P310 HydrophobicContact CG-CG 4.16Å
311L71.4Confident80.6Confident85 Ų8579.5 Ų79.545%0.44540%0.399SS..THydrogen-bonded Turntrans-124.817.8-174.6-60.2176.2000113.4C309 D313 F314 F315C309-L311 PolarHBondContact O-N 3.4Å; L311-D313 VanDerWaalsContact C-N 3.27Å; L311-D313 PolarHBondContact O-N 3.27Å; L311-F314 HydrophobicContact CD2-CD2 4.11Å; L311-F314 PolarHBondContact O-N 3.02Å; L311-F315 HydrophobicContact CB-CE1 4.37Å; L311-F315 HydrophobicContact CB-CZ 4.16Å; L311-F315 PolarHBondContact O-N 2.94Å
312Y68Low79.4Confident65 Ų6582.8 Ų82.826%0.25540%0.403SS..G310 helixtrans-52.1-45.9-174.9179.2-111.4000113.1C309 F314 F315 Q320 W323C309-Y312 PolarHBondContact O-N 2.68Å; Y312-F314 PolarHBondContact O-N 2.58Å; Y312-F315 HydrophobicContact CD2-CD2 4.31Å; Y312-F315 PolarHBondContact O-N 3.21Å; Y312-Q320 HydrophobicContact CE2-CB 4.38Å; Y312-Q320 HydrophobicContact CE2-CG 4.27Å; Y312-Q320 PolarHBondContact O-NE2 3.09Å; Y312-Q320 VanDerWaalsContact O-NE2 3.1Å; Y312-W323 HydrophobicContact CD2-CB 4.34Å; Y312-W323 AromaticContact CD2-CD1 4Å; Y312-W323 AromaticContact CD2-CD2 3.15Å; Y312-W323 HydrophobicContact CD2-CD2 3.15Å; Y312-W323 AromaticContact CD2-CE2 3.29Å; Y312-W323 AromaticContact CD2-CE3 3.35Å; Y312-W323 HydrophobicContact CD2-CE3 3.35Å; Y312-W323 AromaticContact CD2-CG 3.66Å; Y312-W323 HydrophobicContact CD2-CG 3.66Å; Y312-W323 AromaticContact CD2-CH2 3.87Å; Y312-W323 HydrophobicContact CD2-CH2 3.87Å; Y312-W323 AromaticContact CD2-CZ2 3.68Å; Y312-W323 HydrophobicContact CD2-CZ2 3.68Å; Y312-W323 AromaticContact CD2-CZ3 3.69Å; Y312-W323 HydrophobicContact CD2-CZ3 3.69Å; Y312-W323 AromaticContact CD2-NE1 3.76Å; Y312-W323 HydrophobicContact CE2-CB 3.98Å; Y312-W323 AromaticContact CE2-CD2 3.26Å; Y312-W323 HydrophobicContact CE2-CD2 3.26Å; Y312-W323 AromaticContact CE2-CE2 3.92Å; Y312-W323 AromaticContact CE2-CE3 3.05Å; Y312-W323 HydrophobicContact CE2-CE3 3.05Å; Y312-W323 AromaticContact CE2-CG 3.71Å; Y312-W323 HydrophobicContact CE2-CG 3.71Å; Y312-W323 HydrophobicContact CE2-CH2 4.27Å; Y312-W323 HydrophobicContact CE2-CZ2 4.4Å; Y312-W323 AromaticContact CE2-CZ3 3.61Å; Y312-W323 HydrophobicContact CE2-CZ3 3.61Å; Y312-W323 HydrophobicContact CG-CD2 4.28Å; Y312-W323 HydrophobicContact CG-CE3 4.33Å; Y312-W323 HydrophobicContact CG-CH2 4.15Å; Y312-W323 HydrophobicContact CG-CZ2 4.06Å; Y312-W323 HydrophobicContact CG-CZ3 4.26Å; Y312-W323 AromaticContact CZ-CE3 3.88Å
313D69.7Low77.8Confident132 Ų13283.8 Ų83.871%0.70641%0.406SS*.G310 helixtrans-70.3-15.9-177.2-60.4-33.2000113.7L311 Q320L311-D313 VanDerWaalsContact C-N 3.27Å; L311-D313 PolarHBondContact O-N 3.27Å; D313-Q320 PolarHBondContact O-NE2 2.92Å
314F73.4Confident76.3Confident174 Ų17485.6 Ų85.676%0.76342%0.42SS*.G310 helixtrans-96.8-9.7179.8-63.8-77.9000113.6L311 Y312L311-F314 HydrophobicContact CD2-CD2 4.11Å; L311-F314 PolarHBondContact O-N 3.02Å; Y312-F314 PolarHBondContact O-N 2.58Å
315F69.8Low74.7Confident26 Ų2689.4 Ų89.411%0.11444%0.436CS..SBendtrans-65.9144.8175.5-71.4-39.9000111.1C230 T231 C309 L311 Y312 E319 Q320 W323C230-F315 HydrophobicContact CB-CE2 4.32Å; C230-F315 HydrophobicContact CB-CZ 4.15Å; T231-F315 HydrophobicContact CG2-CE1 4.38Å; C309-F315 HydrophobicContact CB-CE2 4.47Å; L311-F315 HydrophobicContact CB-CE1 4.37Å; L311-F315 HydrophobicContact CB-CZ 4.16Å; L311-F315 PolarHBondContact O-N 2.94Å; Y312-F315 HydrophobicContact CD2-CD2 4.31Å; Y312-F315 PolarHBondContact O-N 3.21Å; F315-E319 HydrophobicContact CB-CB 3.69Å; F315-E319 HydrophobicContact CD1-CB 4.4Å; F315-E319 HydrophobicContact CG-CB 4.15Å; F315-Q320 HydrophobicContact CB-CG 3.69Å; F315-Q320 WeakPolarHBondContact O-CG 3.42Å; F315-Q320 PolarHBondContact O-NE2 1.97Å; F315-W323 AromaticContact CD2-CD1 3.75Å; F315-W323 AromaticContact CE2-CD1 3.55Å; F315-W323 AromaticContact CE2-NE1 3.53Å
316S76.4Confident73.3Confident49 Ų4986.9 Ų86.934%0.34342%0.421SS..  trans-57.8157.417263.30000110.9S318 E319 Q320S316-S318 PolarHBondContact O-N 3.03Å; S316-S318 PolarHBondContact OG-OG 3.12Å; S316-E319 VanDerWaalsContact CB-OE2 3.28Å; S316-E319 WeakPolarHBondContact CB-OE2 2.96Å; S316-E319 PolarHBondContact N-OE2 3.12Å; S316-E319 CarbonylContact O-C 3.47Å; S316-E319 WeakPolarHBondContact O-CA 3.46Å; S316-E319 PolarHBondContact O-N 2.7Å; S316-E319 WeakPolarHBondContact OG-CB 3.15Å; S316-E319 VanDerWaalsContact OG-CD 3.29Å; S316-E319 VanDerWaalsContact OG-CG 3.26Å; S316-E319 WeakPolarHBondContact OG-CG 3.38Å; S316-E319 PolarHBondContact OG-N 2.81Å; S316-E319 PolarHBondContact OG-OE2 2.81Å; S316-Q320 PolarHBondContact O-N 3.48Å
317N77.9Confident71.5Confident120 Ų12084.6 Ų84.664%0.64241%0.412SS*.Hα-helixtrans-52.6-34176.3-75.4-19.7000113.1R321N317-R321 VanDerWaalsContact O-CB 3.28Å; N317-R321 WeakPolarHBondContact O-CB 3.45Å; N317-R321 WeakPolarHBondContact O-CG 3.45Å; N317-R321 PolarHBondContact O-N 2.79Å
318S76.5Confident69.6Low80 Ų8090.6 Ų90.656%0.55943%0.432SS*.Hα-helixtrans-68.5-40.4174.441.40000113.2S316 R321 R322S316-S318 PolarHBondContact O-N 3.03Å; S316-S318 PolarHBondContact OG-OG 3.12Å; S318-R321 PolarHBondContact O-N 3.27Å; S318-R322 WeakPolarHBondContact O-CB 3.33Å; S318-R322 PolarHBondContact O-N 3.46Å
319E69.9Low68Low95 Ų9586.6 Ų86.644%0.44441%0.412SS..Hα-helixtrans-72.1-43.9177.4-72.7165.513300110.6F315 S316 R321 R322 W323F315-E319 HydrophobicContact CB-CB 3.69Å; F315-E319 HydrophobicContact CD1-CB 4.4Å; F315-E319 HydrophobicContact CG-CB 4.15Å; S316-E319 VanDerWaalsContact CB-OE2 3.28Å; S316-E319 WeakPolarHBondContact CB-OE2 2.96Å; S316-E319 PolarHBondContact N-OE2 3.12Å; S316-E319 CarbonylContact O-C 3.47Å; S316-E319 WeakPolarHBondContact O-CA 3.46Å; S316-E319 PolarHBondContact O-N 2.7Å; S316-E319 WeakPolarHBondContact OG-CB 3.15Å; S316-E319 VanDerWaalsContact OG-CD 3.29Å; S316-E319 VanDerWaalsContact OG-CG 3.26Å; S316-E319 WeakPolarHBondContact OG-CG 3.38Å; S316-E319 PolarHBondContact OG-N 2.81Å; S316-E319 PolarHBondContact OG-OE2 2.81Å; E319-R321 VanDerWaalsContact C-N 3.3Å; E319-R321 PolarHBondContact O-N 2.77Å; E319-R322 CarbonylContact O-C 3.57Å; E319-R322 PolarHBondContact O-N 2.99Å; E319-W323 WeakPolarHBondContact O-CB 3.38Å; E319-W323 PolarHBondContact O-N 2.96Å
320Q69.9Low65.9Low46 Ų4695 Ų9522%0.21547%0.467CS..Hα-helixtrans-59.3-39171.1-71.5-176.6-4.500111.8Y312 D313 F315 S316 W323 S324Y312-Q320 HydrophobicContact CE2-CB 4.38Å; Y312-Q320 HydrophobicContact CE2-CG 4.27Å; Y312-Q320 PolarHBondContact O-NE2 3.09Å; Y312-Q320 VanDerWaalsContact O-NE2 3.1Å; D313-Q320 PolarHBondContact O-NE2 2.92Å; F315-Q320 HydrophobicContact CB-CG 3.69Å; F315-Q320 WeakPolarHBondContact O-CG 3.42Å; F315-Q320 PolarHBondContact O-NE2 1.97Å; S316-Q320 PolarHBondContact O-N 3.48Å; Q320-W323 CarbonylContact O-C 3.56Å; Q320-W323 WeakPolarHBondContact O-CB 3.02Å; Q320-W323 PolarHBondContact O-N 3.29Å; Q320-S324 WeakPolarHBondContact O-CB 3.48Å; Q320-S324 PolarHBondContact O-N 2.88Å; Q320-S324 PolarHBondContact O-OG 3.21Å
321R69.6Low65.2Low176 Ų17695.8 Ų95.866%0.66446%0.464SS*.Hα-helixtrans-64.4-48.1173.3-80.5175.5-172.3-170.43.3111.6N317 S318 E319 W323 S324 Q325N317-R321 VanDerWaalsContact O-CB 3.28Å; N317-R321 WeakPolarHBondContact O-CB 3.45Å; N317-R321 WeakPolarHBondContact O-CG 3.45Å; N317-R321 PolarHBondContact O-N 2.79Å; S318-R321 PolarHBondContact O-N 3.27Å; E319-R321 VanDerWaalsContact C-N 3.3Å; E319-R321 PolarHBondContact O-N 2.77Å; R321-W323 PolarHBondContact O-N 3.46Å; R321-S324 WeakPolarHBondContact CA-OG 3.46Å; R321-S324 PolarHBondContact O-N 2.84Å; R321-S324 VanDerWaalsContact O-N 3.13Å; R321-S324 PolarHBondContact O-OG 2.87Å; R321-Q325 WeakPolarHBondContact O-CB 3.36Å; R321-Q325 VanDerWaalsContact O-CG 3.31Å; R321-Q325 WeakPolarHBondContact O-CG 3.45Å; R321-Q325 PolarHBondContact O-N 3.26Å
322R67.9Low64.9Low183 Ų18396.3 Ų96.369%0.69147%0.465SS*.Hα-helixtrans-58.2-36.4174.6-170.6-176.7-66175.10.4111.5S318 E319 Q325 R326S318-R322 WeakPolarHBondContact O-CB 3.33Å; S318-R322 PolarHBondContact O-N 3.46Å; E319-R322 CarbonylContact O-C 3.57Å; E319-R322 PolarHBondContact O-N 2.99Å; R322-Q325 CarbonylContact O-C 3.59Å; R322-Q325 PolarHBondContact O-N 2.95Å; R322-R326 PolarHBondContact O-N 3.06Å
323W63.1Low64.7Low26 Ų2698.1 Ų98.110%0.09848%0.477CS..Hα-helixtrans-74-37.1176.7-160115.6000111.8C309 Y312 F315 E319 Q320 R321 Q325 R326C309-W323 HydrophobicContact CB-CZ2 3.67Å; C309-W323 VanDerWaalsContact SG-CE2 3.54Å; C309-W323 WeakPolarHBondContact SG-CZ2 3.48Å; C309-W323 PolarHBondContact SG-NE1 3.25Å; Y312-W323 HydrophobicContact CD2-CB 4.34Å; Y312-W323 AromaticContact CD2-CD1 4Å; Y312-W323 AromaticContact CD2-CD2 3.15Å; Y312-W323 HydrophobicContact CD2-CD2 3.15Å; Y312-W323 AromaticContact CD2-CE2 3.29Å; Y312-W323 AromaticContact CD2-CE3 3.35Å; Y312-W323 HydrophobicContact CD2-CE3 3.35Å; Y312-W323 AromaticContact CD2-CG 3.66Å; Y312-W323 HydrophobicContact CD2-CG 3.66Å; Y312-W323 AromaticContact CD2-CH2 3.87Å; Y312-W323 HydrophobicContact CD2-CH2 3.87Å; Y312-W323 AromaticContact CD2-CZ2 3.68Å; Y312-W323 HydrophobicContact CD2-CZ2 3.68Å; Y312-W323 AromaticContact CD2-CZ3 3.69Å; Y312-W323 HydrophobicContact CD2-CZ3 3.69Å; Y312-W323 AromaticContact CD2-NE1 3.76Å; Y312-W323 HydrophobicContact CE2-CB 3.98Å; Y312-W323 AromaticContact CE2-CD2 3.26Å; Y312-W323 HydrophobicContact CE2-CD2 3.26Å; Y312-W323 AromaticContact CE2-CE2 3.92Å; Y312-W323 AromaticContact CE2-CE3 3.05Å; Y312-W323 HydrophobicContact CE2-CE3 3.05Å; Y312-W323 AromaticContact CE2-CG 3.71Å; Y312-W323 HydrophobicContact CE2-CG 3.71Å; Y312-W323 HydrophobicContact CE2-CH2 4.27Å; Y312-W323 HydrophobicContact CE2-CZ2 4.4Å; Y312-W323 AromaticContact CE2-CZ3 3.61Å; Y312-W323 HydrophobicContact CE2-CZ3 3.61Å; Y312-W323 HydrophobicContact CG-CD2 4.28Å; Y312-W323 HydrophobicContact CG-CE3 4.33Å; Y312-W323 HydrophobicContact CG-CH2 4.15Å; Y312-W323 HydrophobicContact CG-CZ2 4.06Å; Y312-W323 HydrophobicContact CG-CZ3 4.26Å; Y312-W323 AromaticContact CZ-CE3 3.88Å; F315-W323 AromaticContact CD2-CD1 3.75Å; F315-W323 AromaticContact CE2-CD1 3.55Å; F315-W323 AromaticContact CE2-NE1 3.53Å; E319-W323 WeakPolarHBondContact O-CB 3.38Å; E319-W323 PolarHBondContact O-N 2.96Å; Q320-W323 CarbonylContact O-C 3.56Å; Q320-W323 WeakPolarHBondContact O-CB 3.02Å; Q320-W323 PolarHBondContact O-N 3.29Å; R321-W323 PolarHBondContact O-N 3.46Å; W323-Q325 PolarHBondContact O-N 3.4Å; W323-R326 VanDerWaalsContact CD1-NE 3.28Å; W323-R326 WeakPolarHBondContact O-CB 3.42Å; W323-R326 WeakPolarHBondContact O-CD 3.49Å; W323-R326 WeakPolarHBondContact O-CG 3.24Å; W323-R326 PolarHBondContact O-N 3.1Å
324S62.4Low64.4Low54 Ų5496.1 Ų96.138%0.37846%0.464SS..Hα-helixtrans-68-28.1173.973.80000111.7Q320 R321 R326Q320-S324 WeakPolarHBondContact O-CB 3.48Å; Q320-S324 PolarHBondContact O-N 2.88Å; Q320-S324 PolarHBondContact O-OG 3.21Å; R321-S324 WeakPolarHBondContact CA-OG 3.46Å; R321-S324 PolarHBondContact O-N 2.84Å; R321-S324 VanDerWaalsContact O-N 3.13Å; R321-S324 PolarHBondContact O-OG 2.87Å; S324-R326 PolarHBondContact O-N 3.29Å
325Q59.6Low63.9Low153 Ų15391.2 Ų91.272%0.71545%0.445SS*.THydrogen-bonded Turntrans-819.5171.4-69.3177.8-13.900113.5R321 R322 W323R321-Q325 WeakPolarHBondContact O-CB 3.36Å; R321-Q325 VanDerWaalsContact O-CG 3.31Å; R321-Q325 WeakPolarHBondContact O-CG 3.45Å; R321-Q325 PolarHBondContact O-N 3.26Å; R322-Q325 CarbonylContact O-C 3.59Å; R322-Q325 PolarHBondContact O-N 2.95Å; W323-Q325 PolarHBondContact O-N 3.4Å
326R62.8Low63.5Low13 Ų1395.5 Ų95.55%0.04947%0.467CS..SBendtrans-48.3173.7172.2-91.4168.9-174.3-137.6-18.2112.6C230 Y235 E237 C309 R322 W323 S324 R328C230-R326 PolarHBondContact SG-NH2 3.22Å; Y235-R326 HydrophobicContact CE1-CG 4.43Å; Y235-R326 HydrophobicContact CE2-CG 4.43Å; E237-R326 VanDerWaalsContact CD-NH1 3.29Å; E237-R326 IonicContact OE1-CZ 3.36Å; E237-R326 IonicContact OE1-NH1 2.71Å; E237-R326 PolarHBondContact OE1-NH1 3.22Å; C309-R326 PolarHBondContact SG-NH1 3Å; C309-R326 PolarHBondContact SG-NH2 3.18Å; R322-R326 PolarHBondContact O-N 3.06Å; W323-R326 VanDerWaalsContact CD1-NE 3.28Å; W323-R326 WeakPolarHBondContact O-CB 3.42Å; W323-R326 WeakPolarHBondContact O-CD 3.49Å; W323-R326 WeakPolarHBondContact O-CG 3.24Å; W323-R326 PolarHBondContact O-N 3.1Å; S324-R326 PolarHBondContact O-N 3.29Å; R326-R328 PolarHBondContact O-N 3.35Å
327I53Low62.6Low4 Ų498.9 Ų98.92%0.02148%0.476CS..SBendtrans-51.565152.1-57.1157.6000111.6P212 L214 Y235 D263 F329P212-I327 HydrophobicContact CB-CD1 4.42Å; L214-I327 HydrophobicContact CD1-CG2 4.25Å; Y235-I327 HydrophobicContact CE2-CD1 4.15Å; Y235-I327 WeakPolarHBondContact OH-CD1 3.27Å; Y235-I327 WeakPolarHBondContact OH-CG1 3.35Å; D263-I327 HydrophobicContact CB-CD1 4.13Å; D263-I327 HydrophobicContact CB-CG1 4.47Å; I327-F329 VanDerWaalsContact CA-CE2 3.49Å; I327-F329 HydrophobicContact CB-CD2 3.56Å; I327-F329 HydrophobicContact CB-CE2 3.8Å; I327-F329 HydrophobicContact CG1-CD2 3.56Å; I327-F329 HydrophobicContact CG1-CE2 3.39Å; I327-F329 HydrophobicContact CG2-CB 4.29Å; I327-F329 HydrophobicContact CG2-CD2 3.42Å; I327-F329 VanDerWaalsContact CG2-CD2 3.42Å; I327-F329 HydrophobicContact CG2-CE2 4.17Å; I327-F329 HydrophobicContact CG2-CG 4.27Å; I327-F329 PolarHBondContact O-N 2.86Å
328R52.9Low61.4Low178 Ų17897.2 Ų97.267%0.67246%0.463SS*.  trans-91.658.1143.7-62.4-166.6-150.7-1624.4106.1R326R326-R328 PolarHBondContact O-N 3.35Å
329F49.8Very low60.1Low71 Ų7198.7 Ų98.731%0.31146%0.455SS..  trans-79.1134.9167.6-64-59.4000106.6D263 R300 I327D263-F329 WeakPolarHBondContact OD1-CE2 3.3Å; R300-F329 PolarHBondContact NH2-O 3.41Å; I327-F329 VanDerWaalsContact CA-CE2 3.49Å; I327-F329 HydrophobicContact CB-CD2 3.56Å; I327-F329 HydrophobicContact CB-CE2 3.8Å; I327-F329 HydrophobicContact CG1-CD2 3.56Å; I327-F329 HydrophobicContact CG1-CE2 3.39Å; I327-F329 HydrophobicContact CG2-CB 4.29Å; I327-F329 HydrophobicContact CG2-CD2 3.42Å; I327-F329 VanDerWaalsContact CG2-CD2 3.42Å; I327-F329 HydrophobicContact CG2-CE2 4.17Å; I327-F329 HydrophobicContact CG2-CG 4.27Å; I327-F329 PolarHBondContact O-N 2.86Å
330P40.6Very low59.2Low185 Ų18599 Ų99100%1.20146%0.456SS*.  trans-47.20-152.414.5-30.8000116.5

Retrieved 330 of 330 residues in 723.4 ms (Link to these results)

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