G4VHC5_SCHMA Loading...

DUF775 domain-containing protein

AlphaFold DB , UniProt , Accession G4VHC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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
1M86.3Confident89.6Confident75 Ų7553.1 Ų53.137%0.36935%0.349SS..  0164.90-170.7163.286.600107.8L40 T41 E43 T44M1-L40 WeakPolarHBondContact O-CA 3.39Å; M1-T41 WeakPolarHBondContact CB-OG1 3.33Å; M1-T41 PolarHBondContact N-OG1 3.16Å; M1-T41 PolarHBondContact O-N 3.22Å; M1-T41 PolarHBondContact O-OG1 2.97Å; M1-E43 HydrophobicContact CB-CB 4.32Å; M1-E43 WeakPolarHBondContact CB-OE2 3.24Å; M1-E43 WeakPolarHBondContact CE-OE2 3.25Å; M1-T44 PolarHBondContact N-O 3.06Å; M1-T44 PolarHBondContact N-OG1 3.37Å
2F93.4Very high89.8Confident13 Ų1352 Ų526%0.05734%0.336CS..EExtended strand (participates in β ladder)trans-104.1153.1-177.7-50.8-68.8000111.6F15 F23 F39 L40 F46 I118 V120F2-F15 HydrophobicContact CB-CD2 4.04Å; F2-F15 HydrophobicContact CB-CE2 3.54Å; F2-F15 HydrophobicContact CB-CZ 3.8Å; F2-F23 HydrophobicContact CD2-CB 4.45Å; F2-F23 HydrophobicContact CD2-CD2 4.23Å; F2-F23 HydrophobicContact CD2-CG 4.13Å; F2-F23 HydrophobicContact CE2-CD1 4.33Å; F2-F23 AromaticContact CE2-CD2 3.52Å; F2-F23 HydrophobicContact CE2-CD2 3.52Å; F2-F23 HydrophobicContact CE2-CE1 4.48Å; F2-F23 AromaticContact CE2-CE2 3.72Å; F2-F23 HydrophobicContact CE2-CE2 3.72Å; F2-F23 AromaticContact CE2-CG 3.87Å; F2-F23 HydrophobicContact CE2-CG 3.87Å; F2-F23 HydrophobicContact CE2-CZ 4.21Å; F2-F23 HydrophobicContact CZ-CD2 4.41Å; F2-F23 HydrophobicContact CZ-CE2 4.42Å; F2-F39 CarbonylContact C-O 3.51Å; F2-F39 WeakPolarHBondContact CA-O 3.38Å; F2-L40 HydrophobicContact CD1-CD2 3.54Å; F2-L40 HydrophobicContact CE1-CD2 3.42Å; F2-L40 VanDerWaalsContact CE1-CD2 3.42Å; F2-F46 AromaticContact CE1-CE1 3.65Å; F2-F46 HydrophobicContact CE1-CE1 3.65Å; F2-F46 AromaticContact CE1-CZ 3.54Å; F2-F46 HydrophobicContact CE1-CZ 3.54Å; F2-F46 AromaticContact CZ-CE1 3.76Å; F2-F46 HydrophobicContact CZ-CE1 3.76Å; F2-F46 HydrophobicContact CZ-CZ 4.14Å; F2-I118 HydrophobicContact CB-CD1 3.56Å; F2-I118 HydrophobicContact CD1-CD1 3.74Å; F2-I118 HydrophobicContact CD1-CG2 4.3Å; F2-I118 HydrophobicContact CD2-CD1 3.93Å; F2-I118 HydrophobicContact CD2-CG2 4.4Å; F2-I118 HydrophobicContact CE1-CD1 4.47Å; F2-I118 HydrophobicContact CE1-CG2 3.99Å; F2-I118 HydrophobicContact CE2-CG2 4.09Å; F2-I118 HydrophobicContact CG-CD1 3.45Å; F2-I118 VanDerWaalsContact CG-CD1 3.45Å; F2-I118 HydrophobicContact CZ-CG2 3.87Å; F2-V120 HydrophobicContact CZ-CG2 4.01Å
3A94.6Very high89.9Confident0 Ų052.1 Ų52.10%034%0.335CS..EExtended strand (participates in β ladder)trans-137.7146.5172.900000110.6V11 Q12 T13 V38 F39 T41A3-V11 HydrophobicContact CB-CG2 4.03Å; A3-Q12 WeakPolarHBondContact CA-O 3.07Å; A3-T13 HydrophobicContact CB-CG2 3.76Å; A3-V38 WeakPolarHBondContact O-CA 3.44Å; A3-F39 HydrophobicContact CB-CD1 4.13Å; A3-F39 HydrophobicContact CB-CD2 4.04Å; A3-F39 HydrophobicContact CB-CE1 3.66Å; A3-F39 HydrophobicContact CB-CE2 3.56Å; A3-F39 HydrophobicContact CB-CG 4.31Å; A3-F39 HydrophobicContact CB-CZ 3.36Å; A3-F39 PolarHBondContact N-O 3.32Å; A3-F39 PolarHBondContact O-N 2.84Å; A3-T41 HydrophobicContact CB-CG2 3.79Å
4V94.3Very high89.8Confident0 Ų055.3 Ų55.30%036%0.359CS..EExtended strand (participates in β ladder)trans-121.5128.5174.9-175.20000109.1V6 Q12 F15 L25 L27 I36 V37 V38 I116V4-V6 HydrophobicContact CG1-CG2 4.34Å; V4-Q12 PolarHBondContact N-O 3.47Å; V4-Q12 PolarHBondContact O-N 3.03Å; V4-F15 HydrophobicContact CG2-CE2 4.04Å; V4-F15 HydrophobicContact CG2-CZ 3.53Å; V4-L25 HydrophobicContact CB-CD2 3.71Å; V4-L25 HydrophobicContact CG2-CD2 3.51Å; V4-L27 HydrophobicContact CG1-CD2 4.15Å; V4-I36 HydrophobicContact CG1-CG2 3.47Å; V4-I36 VanDerWaalsContact CG1-CG2 3.47Å; V4-V37 CarbonylContact C-O 3Å; V4-V37 WeakPolarHBondContact CA-O 3.28Å; V4-V38 HydrophobicContact CG1-CG2 4.46Å; V4-V38 HydrophobicContact CG2-CG1 4.34Å; V4-V38 HydrophobicContact CG2-CG2 4.22Å; V4-I116 HydrophobicContact CG1-CG1 4.37Å; V4-I116 HydrophobicContact CG2-CB 4.37Å; V4-I116 HydrophobicContact CG2-CG1 4.47Å; V4-I116 HydrophobicContact CG2-CG2 4.05Å
5L93.3Very high89.8Confident71 Ų7153.6 Ų53.637%0.37234%0.344SS..EExtended strand (participates in β ladder)trans-116120.3172.8176.470000109.2V11 V37 F39L5-V11 HydrophobicContact CD1-CB 4.47Å; L5-V37 HydrophobicContact CB-CB 4.18Å; L5-V37 PolarHBondContact N-O 2.82Å; L5-V37 PolarHBondContact O-N 2.91Å; L5-F39 HydrophobicContact CB-CE1 4.23Å
6V89Confident89.8Confident0 Ų056.1 Ų56.10%035%0.354CS..EExtended strand (participates in β ladder)trans-104.8129.5171.3175.80000107.6V4 G8 R9 L27 V33 I36V4-V6 HydrophobicContact CG1-CG2 4.34Å; V6-G8 PolarHBondContact O-N 3.13Å; V6-R9 HydrophobicContact CB-CB 4.26Å; V6-R9 HydrophobicContact CG1-CG 4.34Å; V6-R9 PolarHBondContact O-N 3.27Å; V6-L27 HydrophobicContact CG2-CD1 4.27Å; V6-L27 HydrophobicContact CG2-CD2 4.43Å; V6-V33 HydrophobicContact CG1-CB 4.24Å; V6-V33 HydrophobicContact CG1-CG1 3.61Å; V6-V33 HydrophobicContact CG1-CG2 3.55Å; V6-I36 HydrophobicContact CG2-CG1 4.31Å; V6-I36 HydrophobicContact CG2-CG2 4.47Å
7A84Confident89.6Confident80 Ų8059.9 Ų59.966%0.66137%0.37SS*.THydrogen-bonded Turntrans-54.2131.1-179.300000111.2R9A7-R9 VanDerWaalsContact C-N 3.32Å
8G82.8Confident89.4Confident92 Ų9259.3 Ų59.395%0.94837%0.366SS*.THydrogen-bonded Turntrans79.74.8-177.800000115.3V6V6-G8 PolarHBondContact O-N 3.13Å
9R86.6Confident89.2Confident65 Ų6558.6 Ų58.625%0.24536%0.363CS..SBendtrans-126.8155.8178.8-62.2-176.6177164.8-2.2111.6V6 A7 L28 P29V6-R9 HydrophobicContact CB-CB 4.26Å; V6-R9 HydrophobicContact CG1-CG 4.34Å; V6-R9 PolarHBondContact O-N 3.27Å; A7-R9 VanDerWaalsContact C-N 3.32Å; R9-L28 VanDerWaalsContact NH1-C 3.3Å; R9-L28 PolarHBondContact NH1-O 2.89Å; R9-P29 PolarHBondContact NH1-O 3.25Å; R9-P29 PolarHBondContact NH2-O 3.05Å
10P89.8Confident88.9Confident109 Ų10965.4 Ų65.471%0.70839%0.39SS*.  trans-57.4151.2171.6-2333.9000111.9
11V92Very high89Confident79 Ų7964.4 Ų64.448%0.47939%0.387SS..  trans-62.1138.8170.465.50000109.7A3 L5 T13 F39A3-V11 HydrophobicContact CB-CG2 4.03Å; L5-V11 HydrophobicContact CD1-CB 4.47Å; V11-T13 HydrophobicContact CG2-CG2 4.48Å; V11-F39 HydrophobicContact CG2-CE1 4.37Å; V11-F39 HydrophobicContact CG2-CZ 4.04Å
12Q91.6Very high89.2Confident40 Ų4062.7 Ų62.719%0.18738%0.378CS..BIsolated β-bridgetrans-117.5130.3179.7-66.2-177.263.100109.9A3 V4 L25 D26A3-Q12 WeakPolarHBondContact CA-O 3.07Å; V4-Q12 PolarHBondContact N-O 3.47Å; V4-Q12 PolarHBondContact O-N 3.03Å; Q12-L25 HydrophobicContact CB-CD1 4.32Å; Q12-L25 HydrophobicContact CB-CD2 3.76Å; Q12-D26 PolarHBondContact OE1-O 3.4Å
13T91.2Very high89.1Confident53 Ų5363.8 Ų63.833%0.32538%0.383SS..  trans-129.7-3.1-178.154.40000112.7A3 V11 F15 T41A3-T13 HydrophobicContact CB-CG2 3.76Å; V11-T13 HydrophobicContact CG2-CG2 4.48Å; T13-F15 PolarHBondContact O-N 2.9Å; T13-T41 HydrophobicContact CG2-CG2 4.48Å
14S88.4Confident89Confident97 Ų9764 Ų6468%0.67838%0.384SS*.  trans-8062.6-174.9-52.70000112.4L25S14-L25 VanDerWaalsContact O-CD1 3.24Å; S14-L25 WeakPolarHBondContact O-CD1 3.34Å
15F89.4Confident88.8Confident30 Ų3064.3 Ų64.313%0.13239%0.385CS..  trans-71.4134.7176.5-78.1-97.2000111.6F2 V4 T13 F23 L24 L25 I116 I118F2-F15 HydrophobicContact CB-CD2 4.04Å; F2-F15 HydrophobicContact CB-CE2 3.54Å; F2-F15 HydrophobicContact CB-CZ 3.8Å; V4-F15 HydrophobicContact CG2-CE2 4.04Å; V4-F15 HydrophobicContact CG2-CZ 3.53Å; T13-F15 PolarHBondContact O-N 2.9Å; F15-F23 HydrophobicContact CB-CB 4.24Å; F15-F23 HydrophobicContact CD1-CB 3.76Å; F15-F23 HydrophobicContact CG-CB 4.31Å; F15-L24 CarbonylContact C-O 3.52Å; F15-L24 WeakPolarHBondContact CA-O 3.4Å; F15-L25 HydrophobicContact CD1-CB 3.61Å; F15-L25 HydrophobicContact CD2-CB 4.4Å; F15-L25 HydrophobicContact CE1-CB 3.55Å; F15-L25 HydrophobicContact CE2-CB 4.34Å; F15-L25 HydrophobicContact CE2-CD2 4.1Å; F15-L25 HydrophobicContact CG-CB 4.07Å; F15-L25 HydrophobicContact CZ-CB 3.95Å; F15-L25 HydrophobicContact CZ-CD2 4.07Å; F15-I116 HydrophobicContact CE1-CG2 4.29Å; F15-I116 HydrophobicContact CZ-CG2 4.47Å; F15-I118 HydrophobicContact CE1-CD1 3.71Å; F15-I118 HydrophobicContact CE1-CG1 4.09Å; F15-I118 HydrophobicContact CZ-CD1 3.65Å; F15-I118 HydrophobicContact CZ-CG1 4.47Å
16N89.7Confident88.6Confident93 Ų9364.4 Ų64.450%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-82.4125.4167.2-63.1-44.4000109.3V18 F23 L24N16-V18 PolarHBondContact O-N 3.32Å; N16-F23 WeakPolarHBondContact O-CA 3.3Å; N16-L24 PolarHBondContact N-O 3.48Å; N16-L24 PolarHBondContact O-N 3.45Å
17I87.5Confident88.4Confident122 Ų12264.8 Ų64.863%0.62639%0.388SS*.EExtended strand (participates in β ladder)trans-82.7114.7177-55.3179.5000107.9S19 F23I17-S19 WeakPolarHBondContact CG2-O 3.23Å; I17-F23 HydrophobicContact CD1-CE1 4.19Å; I17-F23 HydrophobicContact CG1-CD1 3.89Å; I17-F23 HydrophobicContact CG1-CE1 3.84Å; I17-F23 HydrophobicContact CG2-CE1 4.35Å
18V86.1Confident88.2Confident49 Ų4965.9 Ų65.930%0.29738%0.382SS..EExtended strand (participates in β ladder)trans-89.4-37.8177.2-176.40000110.6N16 Q22 L24 N102N16-V18 PolarHBondContact O-N 3.32Å; V18-Q22 HydrophobicContact CB-CB 4.36Å; V18-Q22 PolarHBondContact N-O 3.02Å; V18-L24 HydrophobicContact CG2-CB 4.11Å; V18-L24 HydrophobicContact CG2-CD1 3.43Å; V18-L24 VanDerWaalsContact CG2-CD1 3.43Å; V18-L24 HydrophobicContact CG2-CG 3.57Å; V18-N102 HydrophobicContact CG1-CB 4.49Å
19S85.2Confident87.9Confident45 Ų4563 Ų6332%0.31535%0.347SS..EExtended strand (participates in β ladder)trans-147.4174.9172.579.90000109.5I17 S21 Q22I17-S19 WeakPolarHBondContact CG2-O 3.23Å; S19-S21 PolarHBondContact O-N 2.88Å; S19-S21 PolarHBondContact OG-N 3.45Å; S19-Q22 PolarHBondContact N-O 2.97Å; S19-Q22 PolarHBondContact O-N 3.42Å; S19-Q22 VanDerWaalsContact O-N 3.13Å; S19-Q22 VanDerWaalsContact OG-CB 3.23Å; S19-Q22 WeakPolarHBondContact OG-CB 3.42Å; S19-Q22 WeakPolarHBondContact OG-CG 3.28Å; S19-Q22 PolarHBondContact OG-N 2.84Å
20E83.8Confident87.3Confident195 Ų19561.3 Ų61.391%0.91134%0.342SS*.THydrogen-bonded Turntrans-56.1-25.4-179.2-62.5-176.7173.100113.9
21S89.1Confident86.7Confident45 Ų4562.1 Ų62.132%0.31534%0.341SS..THydrogen-bonded Turntrans-116.91.8179.862.60000113.9S19 S119 V120S19-S21 PolarHBondContact O-N 2.88Å; S19-S21 PolarHBondContact OG-N 3.45Å; S21-S119 CarbonylContact O-C 3.57Å; S21-S119 WeakPolarHBondContact O-CA 3.38Å; S21-V120 WeakPolarHBondContact CB-O 3.49Å; S21-V120 PolarHBondContact O-N 2.79Å
22Q91.5Very high85.7Confident38 Ų3865.4 Ų65.418%0.17836%0.356CS..EExtended strand (participates in β ladder)trans-125.6128.9-173.1-67.6-174.7-4.400112.7V18 S19 P98 F99 I118V18-Q22 HydrophobicContact CB-CB 4.36Å; V18-Q22 PolarHBondContact N-O 3.02Å; S19-Q22 PolarHBondContact N-O 2.97Å; S19-Q22 PolarHBondContact O-N 3.42Å; S19-Q22 VanDerWaalsContact O-N 3.13Å; S19-Q22 VanDerWaalsContact OG-CB 3.23Å; S19-Q22 WeakPolarHBondContact OG-CB 3.42Å; S19-Q22 WeakPolarHBondContact OG-CG 3.28Å; S19-Q22 PolarHBondContact OG-N 2.84Å; Q22-P98 PolarHBondContact NE2-O 2.92Å; Q22-P98 PolarHBondContact OE1-O 3.14Å; Q22-F99 HydrophobicContact CB-CD1 3.89Å; Q22-F99 HydrophobicContact CB-CE1 4.14Å; Q22-F99 HydrophobicContact CG-CD1 4.11Å; Q22-F99 HydrophobicContact CG-CE1 4.22Å; Q22-I118 WeakPolarHBondContact CA-O 3.45Å
23F91.9Very high85.3Confident37 Ų3764.2 Ų64.216%0.16235%0.351CS..EExtended strand (participates in β ladder)trans-129.9134.7-172.2-54.3-91.9000109.7F2 F15 N16 I17 G117 I118 V120F2-F23 HydrophobicContact CD2-CB 4.45Å; F2-F23 HydrophobicContact CD2-CD2 4.23Å; F2-F23 HydrophobicContact CD2-CG 4.13Å; F2-F23 HydrophobicContact CE2-CD1 4.33Å; F2-F23 AromaticContact CE2-CD2 3.52Å; F2-F23 HydrophobicContact CE2-CD2 3.52Å; F2-F23 HydrophobicContact CE2-CE1 4.48Å; F2-F23 AromaticContact CE2-CE2 3.72Å; F2-F23 HydrophobicContact CE2-CE2 3.72Å; F2-F23 AromaticContact CE2-CG 3.87Å; F2-F23 HydrophobicContact CE2-CG 3.87Å; F2-F23 HydrophobicContact CE2-CZ 4.21Å; F2-F23 HydrophobicContact CZ-CD2 4.41Å; F2-F23 HydrophobicContact CZ-CE2 4.42Å; F15-F23 HydrophobicContact CB-CB 4.24Å; F15-F23 HydrophobicContact CD1-CB 3.76Å; F15-F23 HydrophobicContact CG-CB 4.31Å; N16-F23 WeakPolarHBondContact O-CA 3.3Å; I17-F23 HydrophobicContact CD1-CE1 4.19Å; I17-F23 HydrophobicContact CG1-CD1 3.89Å; I17-F23 HydrophobicContact CG1-CE1 3.84Å; I17-F23 HydrophobicContact CG2-CE1 4.35Å; F23-G117 CarbonylContact O-C 3.6Å; F23-G117 VanDerWaalsContact O-CA 3.28Å; F23-G117 WeakPolarHBondContact O-CA 3.21Å; F23-I118 HydrophobicContact CB-CB 4.42Å; F23-I118 PolarHBondContact N-O 3.2Å; F23-I118 PolarHBondContact O-N 2.86Å; F23-V120 HydrophobicContact CD2-CG2 4.4Å; F23-V120 HydrophobicContact CE2-CG2 3.87Å
24L91.5Very high84.9Confident5 Ų566 Ų663%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-122.9141.3177.5-71.1-178.3000110.8F15 N16 V18 W66 F99 A103 Q115 I116F15-L24 CarbonylContact C-O 3.52Å; F15-L24 WeakPolarHBondContact CA-O 3.4Å; N16-L24 PolarHBondContact N-O 3.48Å; N16-L24 PolarHBondContact O-N 3.45Å; V18-L24 HydrophobicContact CG2-CB 4.11Å; V18-L24 HydrophobicContact CG2-CD1 3.43Å; V18-L24 VanDerWaalsContact CG2-CD1 3.43Å; V18-L24 HydrophobicContact CG2-CG 3.57Å; L24-W66 HydrophobicContact CD2-CH2 3.59Å; L24-W66 HydrophobicContact CD2-CZ2 4.16Å; L24-W66 HydrophobicContact CD2-CZ3 4.43Å; L24-F99 HydrophobicContact CD1-CB 4.12Å; L24-F99 HydrophobicContact CD2-CB 3.92Å; L24-F99 HydrophobicContact CD2-CD1 3.86Å; L24-F99 HydrophobicContact CD2-CD2 3.75Å; L24-F99 HydrophobicContact CD2-CE1 4.38Å; L24-F99 HydrophobicContact CD2-CE2 4.29Å; L24-F99 HydrophobicContact CD2-CG 3.54Å; L24-F99 HydrophobicContact CG-CB 4.28Å; L24-F99 HydrophobicContact CG-CD1 4.35Å; L24-F99 HydrophobicContact CG-CG 4.25Å; L24-A103 HydrophobicContact CD1-CB 3.99Å; L24-Q115 HydrophobicContact CB-CG 4.45Å; L24-Q115 HydrophobicContact CD2-CG 4.31Å; L24-I116 CarbonylContact C-O 3.57Å; L24-I116 WeakPolarHBondContact CA-O 3.2Å
25L90.8Very high84.8Confident5 Ų565.6 Ų65.63%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-134.2120.1174.2178.677.6000109.3V4 Q12 S14 F15 L27 Q115 I116V4-L25 HydrophobicContact CB-CD2 3.71Å; V4-L25 HydrophobicContact CG2-CD2 3.51Å; Q12-L25 HydrophobicContact CB-CD1 4.32Å; Q12-L25 HydrophobicContact CB-CD2 3.76Å; S14-L25 VanDerWaalsContact O-CD1 3.24Å; S14-L25 WeakPolarHBondContact O-CD1 3.34Å; F15-L25 HydrophobicContact CD1-CB 3.61Å; F15-L25 HydrophobicContact CD2-CB 4.4Å; F15-L25 HydrophobicContact CE1-CB 3.55Å; F15-L25 HydrophobicContact CE2-CB 4.34Å; F15-L25 HydrophobicContact CE2-CD2 4.1Å; F15-L25 HydrophobicContact CG-CB 4.07Å; F15-L25 HydrophobicContact CZ-CB 3.95Å; F15-L25 HydrophobicContact CZ-CD2 4.07Å; L25-L27 HydrophobicContact CD2-CD2 3.86Å; L25-L27 HydrophobicContact CG-CD2 4.32Å; L25-L27 PolarHBondContact O-N 3.46Å; L25-Q115 CarbonylContact O-C 3.52Å; L25-Q115 WeakPolarHBondContact O-CA 3.42Å; L25-Q115 VanDerWaalsContact O-CG 3.29Å; L25-Q115 WeakPolarHBondContact O-CG 3.26Å; L25-I116 PolarHBondContact N-O 3.29Å; L25-I116 PolarHBondContact O-N 2.93Å
26D88.1Confident84.9Confident73 Ų7364.2 Ų64.239%0.3934%0.34SS..EExtended strand (participates in β ladder)trans-72.7128173.6-63-43.2000110.1Q12 Q115Q12-D26 PolarHBondContact OE1-O 3.4Å; D26-Q115 PolarHBondContact OD1-NE2 2.87Å
27L85.6Confident85.1Confident8 Ų861.4 Ų61.44%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-103.5145.7174.4-62.6-174.6000110.1V4 V6 L25 L30 I36 A114 I116V4-L27 HydrophobicContact CG1-CD2 4.15Å; V6-L27 HydrophobicContact CG2-CD1 4.27Å; V6-L27 HydrophobicContact CG2-CD2 4.43Å; L25-L27 HydrophobicContact CD2-CD2 3.86Å; L25-L27 HydrophobicContact CG-CD2 4.32Å; L25-L27 PolarHBondContact O-N 3.46Å; L27-L30 HydrophobicContact CD1-CD2 4.15Å; L27-I36 HydrophobicContact CD1-CD1 3.85Å; L27-A114 WeakPolarHBondContact CA-O 3.4Å; L27-A114 HydrophobicContact CB-CB 4.34Å; L27-A114 WeakPolarHBondContact CB-O 3.48Å; L27-A114 PolarHBondContact N-O 3.06Å; L27-I116 HydrophobicContact CD1-CD1 4.23Å; L27-I116 HydrophobicContact CD1-CG1 3.49Å; L27-I116 VanDerWaalsContact CD1-CG1 3.49Å; L27-I116 HydrophobicContact CG-CG1 4.03Å
28L79.7Confident85.4Confident104 Ų10455.6 Ų55.655%0.54530%0.296SS..PPolyproline II helixtrans-57.1149.2161.9-78.790.7000109.7R9 L30R9-L28 VanDerWaalsContact NH1-C 3.3Å; R9-L28 PolarHBondContact NH1-O 2.89Å; L28-L30 PolarHBondContact O-N 3.42Å
29P76Confident85.9Confident30 Ų3056.1 Ų56.120%0.19530%0.295CS..  trans-44.3134-179.4-31.534.6000114.4R9 N31 V111R9-P29 PolarHBondContact NH1-O 3.25Å; R9-P29 PolarHBondContact NH2-O 3.05Å; P29-N31 VanDerWaalsContact C-N 3.26Å; P29-N31 PolarHBondContact O-N 2.68Å; P29-V111 HydrophobicContact CB-CB 4.41Å; P29-V111 HydrophobicContact CB-CG1 3.41Å; P29-V111 VanDerWaalsContact CB-CG1 3.41Å; P29-V111 HydrophobicContact CG-CB 3.63Å; P29-V111 HydrophobicContact CG-CG1 3.12Å
30L75.1Confident86.3Confident30 Ų3055 Ų5516%0.15729%0.285CS..  trans-85.525.6-170.9-66.9176000114.6L27 L28 D32 V33 I36 L56 V83 A114L27-L30 HydrophobicContact CD1-CD2 4.15Å; L28-L30 PolarHBondContact O-N 3.42Å; L30-D32 PolarHBondContact O-N 2.76Å; L30-V33 HydrophobicContact CB-CB 4.2Å; L30-V33 HydrophobicContact CD2-CB 3.89Å; L30-V33 HydrophobicContact CD2-CG1 3.89Å; L30-V33 HydrophobicContact CD2-CG2 4.1Å; L30-V33 PolarHBondContact O-N 2.79Å; L30-I36 HydrophobicContact CD1-CD1 3.99Å; L30-I36 HydrophobicContact CD2-CD1 3.82Å; L30-I36 HydrophobicContact CD2-CG1 4.45Å; L30-L56 HydrophobicContact CD1-CD1 3.86Å; L30-L56 HydrophobicContact CD1-CD2 4.31Å; L30-V83 HydrophobicContact CD1-CG2 4.47Å; L30-A114 HydrophobicContact CD1-CB 3.38Å; L30-A114 HydrophobicContact CG-CB 3.53Å
31N75.6Confident86.7Confident126 Ų12648.1 Ų48.167%0.67426%0.256SS*.THydrogen-bonded Turntrans-28.9-73.1-172.8-61.9-2.6000115.2P29P29-N31 VanDerWaalsContact C-N 3.26Å; P29-N31 PolarHBondContact O-N 2.68Å
32D73.1Confident86.6Confident149 Ų14948.7 Ų48.780%0.79727%0.269SS*.THydrogen-bonded Turntrans-106.515-179.3-60.2-50.9000112.4L30 N34L30-D32 PolarHBondContact O-N 2.76Å; D32-N34 PolarHBondContact O-N 2.9Å
33V81.2Confident86.4Confident15 Ų1553.2 Ų53.29%0.09129%0.29CS..  trans-79.9111.9-176178.20000109V6 L30 H35 I36 V83V6-V33 HydrophobicContact CG1-CB 4.24Å; V6-V33 HydrophobicContact CG1-CG1 3.61Å; V6-V33 HydrophobicContact CG1-CG2 3.55Å; L30-V33 HydrophobicContact CB-CB 4.2Å; L30-V33 HydrophobicContact CD2-CB 3.89Å; L30-V33 HydrophobicContact CD2-CG1 3.89Å; L30-V33 HydrophobicContact CD2-CG2 4.1Å; L30-V33 PolarHBondContact O-N 2.79Å; V33-H35 WeakPolarHBondContact CG1-O 3.45Å; V33-I36 HydrophobicContact CG1-CG1 4.11Å; V33-V83 HydrophobicContact CG1-CG2 4.18Å; V33-V83 WeakPolarHBondContact O-CG2 3.36Å
34N82.7Confident86.2Confident89 Ų8955.4 Ų55.448%0.47631%0.307SS..  trans-90.8-27176.5-72.3-58.5000113.3D32 K82 V83 G84D32-N34 PolarHBondContact O-N 2.9Å; N34-K82 CarbonylContact O-C 3.58Å; N34-K82 WeakPolarHBondContact O-CA 3.39Å; N34-V83 PolarHBondContact O-N 2.81Å; N34-G84 PolarHBondContact O-N 3.45Å
35H87.5Confident86.2Confident90 Ų9060.3 Ų60.342%0.41734%0.337SS..EExtended strand (participates in β ladder)trans-136138.4-172.5-57.493000111.6V33 I80 Y81V33-H35 WeakPolarHBondContact CG1-O 3.45Å; H35-I80 HydrophobicContact CB-CG2 4.11Å; H35-Y81 CarbonylContact C-O 3.59Å; H35-Y81 VanDerWaalsContact CA-O 3.26Å; H35-Y81 WeakPolarHBondContact CA-O 3.48Å
36I90.8Very high86.2Confident0 Ų060.5 Ų60.50%034%0.338CS..EExtended strand (participates in β ladder)trans-123.5133.2171.6-59.3-178.8000107.2V4 V6 L27 L30 V33 V38 L56 Y81 V83 I116V4-I36 HydrophobicContact CG1-CG2 3.47Å; V4-I36 VanDerWaalsContact CG1-CG2 3.47Å; V6-I36 HydrophobicContact CG2-CG1 4.31Å; V6-I36 HydrophobicContact CG2-CG2 4.47Å; L27-I36 HydrophobicContact CD1-CD1 3.85Å; L30-I36 HydrophobicContact CD1-CD1 3.99Å; L30-I36 HydrophobicContact CD2-CD1 3.82Å; L30-I36 HydrophobicContact CD2-CG1 4.45Å; V33-I36 HydrophobicContact CG1-CG1 4.11Å; I36-V38 HydrophobicContact CG2-CG2 4.11Å; I36-L56 HydrophobicContact CD1-CD1 4.27Å; I36-Y81 PolarHBondContact N-O 2.88Å; I36-Y81 PolarHBondContact O-N 3.43Å; I36-V83 HydrophobicContact CB-CG1 4.47Å; I36-V83 HydrophobicContact CD1-CB 4.42Å; I36-V83 HydrophobicContact CD1-CG1 3.92Å; I36-V83 HydrophobicContact CD1-CG2 3.88Å; I36-V83 HydrophobicContact CG1-CG1 4.08Å; I36-V83 HydrophobicContact CG1-CG2 3.76Å; I36-I116 HydrophobicContact CD1-CD1 4.17Å; I36-I116 HydrophobicContact CG2-CD1 4.37Å
37V93.7Very high86.4Confident35 Ų3560 Ų6021%0.21234%0.339CS..EExtended strand (participates in β ladder)trans-104.6129.7173.2-1710000107.8V4 L5 F39 A79 I80V4-V37 CarbonylContact C-O 3Å; V4-V37 WeakPolarHBondContact CA-O 3.28Å; L5-V37 HydrophobicContact CB-CB 4.18Å; L5-V37 PolarHBondContact N-O 2.82Å; L5-V37 PolarHBondContact O-N 2.91Å; V37-F39 HydrophobicContact CG1-CD1 4.21Å; V37-A79 WeakPolarHBondContact CA-O 3.15Å; V37-A79 WeakPolarHBondContact CG1-O 3.3Å; V37-I80 HydrophobicContact CG1-CG1 4.29Å; V37-I80 HydrophobicContact CG2-CG1 3.98Å; V37-I80 HydrophobicContact CG2-CG2 4.27Å
38V95.3Very high86.6Confident0 Ų065 Ų650%037%0.372CS..EExtended strand (participates in β ladder)trans-121.3136.4172-170.90000108.1A3 V4 I36 V54 L72 S78 A79 Y81 I116 I118A3-V38 WeakPolarHBondContact O-CA 3.44Å; V4-V38 HydrophobicContact CG1-CG2 4.46Å; V4-V38 HydrophobicContact CG2-CG1 4.34Å; V4-V38 HydrophobicContact CG2-CG2 4.22Å; I36-V38 HydrophobicContact CG2-CG2 4.11Å; V38-V54 HydrophobicContact CB-CG1 4.32Å; V38-V54 HydrophobicContact CG1-CG1 4.4Å; V38-V54 HydrophobicContact CG1-CG2 4.3Å; V38-V54 HydrophobicContact CG2-CG1 3.88Å; V38-L72 HydrophobicContact CB-CD1 4.24Å; V38-L72 HydrophobicContact CG1-CD1 3.82Å; V38-S78 WeakPolarHBondContact O-CA 3.36Å; V38-A79 PolarHBondContact N-O 3.01Å; V38-A79 PolarHBondContact O-N 2.73Å; V38-Y81 HydrophobicContact CB-CE2 3.99Å; V38-Y81 HydrophobicContact CG2-CD2 4.09Å; V38-Y81 HydrophobicContact CG2-CE2 3.96Å; V38-I116 HydrophobicContact CG2-CG2 4.5Å; V38-I118 HydrophobicContact CG1-CD1 3.78Å
39F95.8Very high87.1Confident59 Ų5966.1 Ų66.126%0.25938%0.378SS..EExtended strand (participates in β ladder)trans-152.2158.6-176.961.8-82000113.4F2 A3 L5 V11 V37 P77 S78F2-F39 CarbonylContact C-O 3.51Å; F2-F39 WeakPolarHBondContact CA-O 3.38Å; A3-F39 HydrophobicContact CB-CD1 4.13Å; A3-F39 HydrophobicContact CB-CD2 4.04Å; A3-F39 HydrophobicContact CB-CE1 3.66Å; A3-F39 HydrophobicContact CB-CE2 3.56Å; A3-F39 HydrophobicContact CB-CG 4.31Å; A3-F39 HydrophobicContact CB-CZ 3.36Å; A3-F39 PolarHBondContact N-O 3.32Å; A3-F39 PolarHBondContact O-N 2.84Å; L5-F39 HydrophobicContact CB-CE1 4.23Å; V11-F39 HydrophobicContact CG2-CE1 4.37Å; V11-F39 HydrophobicContact CG2-CZ 4.04Å; V37-F39 HydrophobicContact CG1-CD1 4.21Å; F39-P77 CarbonylContact C-O 3.51Å; F39-P77 WeakPolarHBondContact CA-O 3.16Å; F39-S78 VanDerWaalsContact CB-CB 3.41Å
40L94.1Very high87.9Confident22 Ų2267.8 Ų67.812%0.11538%0.384CS..EExtended strand (participates in β ladder)trans-76.9131.2167.8-60.3-178.1000109.8M1 F2 G42 F46 P77M1-L40 WeakPolarHBondContact O-CA 3.39Å; F2-L40 HydrophobicContact CD1-CD2 3.54Å; F2-L40 HydrophobicContact CE1-CD2 3.42Å; F2-L40 VanDerWaalsContact CE1-CD2 3.42Å; L40-G42 PolarHBondContact O-N 2.73Å; L40-F46 HydrophobicContact CD1-CD2 3.77Å; L40-F46 HydrophobicContact CD1-CE2 3.64Å; L40-F46 HydrophobicContact CD2-CD2 4.33Å; L40-F46 HydrophobicContact CD2-CE1 4.48Å; L40-F46 HydrophobicContact CD2-CE2 3.61Å; L40-F46 HydrophobicContact CD2-CZ 3.71Å; L40-F46 HydrophobicContact CG-CE2 4.01Å; L40-P77 HydrophobicContact CB-CB 4.09Å; L40-P77 HydrophobicContact CD1-CB 3.94Å; L40-P77 HydrophobicContact CG-CB 4.16Å; L40-P77 PolarHBondContact N-O 3.12Å
41T91.6Very high88.7Confident50 Ų5066.3 Ų66.331%0.30738%0.376SS..  trans-72.4-15.1176.359.80000113.5M1 A3 T13 E43M1-T41 WeakPolarHBondContact CB-OG1 3.33Å; M1-T41 PolarHBondContact N-OG1 3.16Å; M1-T41 PolarHBondContact O-N 3.22Å; M1-T41 PolarHBondContact O-OG1 2.97Å; A3-T41 HydrophobicContact CB-CG2 3.79Å; T13-T41 HydrophobicContact CG2-CG2 4.48Å; T41-E43 VanDerWaalsContact C-N 3.33Å; T41-E43 PolarHBondContact OG1-N 3.01Å
42G86.2Confident89.6Confident57 Ų5760.3 Ų60.359%0.58834%0.344SS*.SBendtrans88.3-9.8-173.900000114.6L40 T44L40-G42 PolarHBondContact O-N 2.73Å; G42-T44 VanDerWaalsContact C-N 3.33Å; G42-T44 PolarHBondContact O-N 2.76Å
43E87.9Confident90.6Very high133 Ų13353.2 Ų53.262%0.62131%0.306SS*.SBendtrans-67.8-34.1177.2-66.3174.8162.400112.9M1 T41M1-E43 HydrophobicContact CB-CB 4.32Å; M1-E43 WeakPolarHBondContact CB-OE2 3.24Å; M1-E43 WeakPolarHBondContact CE-OE2 3.25Å; T41-E43 VanDerWaalsContact C-N 3.33Å; T41-E43 PolarHBondContact OG1-N 3.01Å
44T87.7Confident91.2Very high84 Ų8452.5 Ų52.552%0.51530%0.302SS..SBendtrans-137133.7173.667.50000108.5M1 G42M1-T44 PolarHBondContact N-O 3.06Å; M1-T44 PolarHBondContact N-OG1 3.37Å; G42-T44 VanDerWaalsContact C-N 3.33Å; G42-T44 PolarHBondContact O-N 2.76Å
45V91.1Very high91.6Very high107 Ų10749.1 Ų49.165%0.64828%0.282SS*.PPolyproline II helixtrans-95.1156.5173.8-64.10000109.3
46F92Very high91.7Very high9 Ų944.8 Ų44.84%0.03926%0.263CS..PPolyproline II helixtrans-65.8145.6171.2-67.1-66.4000110.3F2 L40 L72 N74 V120F2-F46 AromaticContact CE1-CE1 3.65Å; F2-F46 HydrophobicContact CE1-CE1 3.65Å; F2-F46 AromaticContact CE1-CZ 3.54Å; F2-F46 HydrophobicContact CE1-CZ 3.54Å; F2-F46 AromaticContact CZ-CE1 3.76Å; F2-F46 HydrophobicContact CZ-CE1 3.76Å; F2-F46 HydrophobicContact CZ-CZ 4.14Å; L40-F46 HydrophobicContact CD1-CD2 3.77Å; L40-F46 HydrophobicContact CD1-CE2 3.64Å; L40-F46 HydrophobicContact CD2-CD2 4.33Å; L40-F46 HydrophobicContact CD2-CE1 4.48Å; L40-F46 HydrophobicContact CD2-CE2 3.61Å; L40-F46 HydrophobicContact CD2-CZ 3.71Å; L40-F46 HydrophobicContact CG-CE2 4.01Å; F46-L72 HydrophobicContact CE2-CB 4.02Å; F46-L72 VanDerWaalsContact CE2-O 3.28Å; F46-L72 WeakPolarHBondContact CE2-O 3.3Å; F46-L72 HydrophobicContact CZ-CB 4.27Å; F46-N74 PolarHBondContact N-OD1 3.31Å; F46-N74 PolarHBondContact O-ND2 3.08Å; F46-V120 HydrophobicContact CD1-CG1 3.96Å; F46-V120 HydrophobicContact CD1-CG2 4.36Å; F46-V120 HydrophobicContact CE1-CG1 4.24Å; F46-V120 HydrophobicContact CE1-CG2 3.9Å
47P91.6Very high91.5Very high64 Ų6444.8 Ų44.842%0.41626%0.263SS..PPolyproline II helixtrans-55.8159.6167.7-23.433.9000111.9N49 M50P47-N49 PolarHBondContact O-N 3.37Å; P47-M50 HydrophobicContact CB-CB 4.36Å; P47-M50 HydrophobicContact CB-CG 4.24Å; P47-M50 HydrophobicContact CB-SD 3.76Å; P47-M50 HydrophobicContact CG-SD 3.75Å; P47-M50 PolarHBondContact O-N 3.33Å; P47-M50 VanDerWaalsContact O-N 3.14Å
48P89.6Confident90.9Very high113 Ų11343.7 Ų43.773%0.73426%0.255SS*.THydrogen-bonded Turntrans-53.5137.5175.6-24.934.2000111.9M50P48-M50 PolarHBondContact O-N 2.93Å; P48-M50 VanDerWaalsContact O-N 3.16Å
49N89.7Confident89.9Confident126 Ų12645.3 Ų45.367%0.67426%0.263SS*.THydrogen-bonded Turntrans60.814-178.8-53.6-37.4000115.8P47 L123P47-N49 PolarHBondContact O-N 3.37Å; N49-L123 WeakPolarHBondContact O-CG 3.25Å; N49-L123 PolarHBondContact O-N 2.78Å
50M93.3Very high88.7Confident65 Ų6544.8 Ų44.832%0.3226%0.261SS..EExtended strand (participates in β ladder)trans-110.5156.7173.7-66.1-174.6175.600111.8P47 P48 V120 D121 L122P47-M50 HydrophobicContact CB-CB 4.36Å; P47-M50 HydrophobicContact CB-CG 4.24Å; P47-M50 HydrophobicContact CB-SD 3.76Å; P47-M50 HydrophobicContact CG-SD 3.75Å; P47-M50 PolarHBondContact O-N 3.33Å; P47-M50 VanDerWaalsContact O-N 3.14Å; P48-M50 PolarHBondContact O-N 2.93Å; P48-M50 VanDerWaalsContact O-N 3.16Å; M50-V120 HydrophobicContact CB-CG1 4.38Å; M50-V120 HydrophobicContact SD-CG1 4.44Å; M50-D121 CarbonylContact C-O 3.44Å; M50-D121 VanDerWaalsContact CA-O 3.28Å; M50-D121 WeakPolarHBondContact CA-O 3.28Å; M50-D121 WeakPolarHBondContact CB-O 3.25Å; M50-L122 HydrophobicContact CE-CD2 4.12Å; M50-L122 HydrophobicContact CG-CD2 4.09Å
51G93.2Very high87.4Confident0 Ų052.1 Ų52.10%030%0.3CS..EExtended strand (participates in β ladder)trans-144.4175.5172.400000111L72 V120 D121G51-L72 CarbonylContact C-O 3.6Å; G51-L72 VanDerWaalsContact CA-O 3.25Å; G51-L72 WeakPolarHBondContact CA-O 3.46Å; G51-V120 VanDerWaalsContact O-CA 3.3Å; G51-V120 WeakPolarHBondContact O-CA 3.11Å; G51-D121 PolarHBondContact N-O 3Å; G51-D121 PolarHBondContact O-N 3.09Å
52G93.6Very high86.3Confident0 Ų052.5 Ų52.50%031%0.314CS..EExtended strand (participates in β ladder)trans-107.7113.7174.800000110.4V71 L72 S119G52-V71 CarbonylContact O-C 3.57Å; G52-V71 WeakPolarHBondContact O-CA 3.44Å; G52-L72 PolarHBondContact N-O 3.1Å; G52-L72 PolarHBondContact O-N 3.03Å; G52-S119 CarbonylContact C-O 3.59Å; G52-S119 WeakPolarHBondContact CA-O 3.41Å
53G93.5Very high85.5Confident0 Ų053.8 Ų53.80%031%0.311CS..EExtended strand (participates in β ladder)trans-72.7122.7165.400000109.7Y55 I118 S119G53-Y55 VanDerWaalsContact O-CD2 3.25Å; G53-Y55 WeakPolarHBondContact O-CD2 3.45Å; G53-Y55 VanDerWaalsContact O-CE2 3.27Å; G53-Y55 WeakPolarHBondContact O-CE2 3.27Å; G53-I118 CarbonylContact O-C 3.51Å; G53-I118 VanDerWaalsContact O-CA 3.28Å; G53-I118 WeakPolarHBondContact O-CA 3.49Å; G53-S119 PolarHBondContact N-O 3.2Å; G53-S119 PolarHBondContact O-N 2.75Å
54V93.4Very high84.9Confident0 Ų049.3 Ų49.30%029%0.293CS..EExtended strand (participates in β ladder)trans-98.4131.6179.6-175.30000109V38 L69 G70 L72 Y81 I116 G117 I118V38-V54 HydrophobicContact CB-CG1 4.32Å; V38-V54 HydrophobicContact CG1-CG1 4.4Å; V38-V54 HydrophobicContact CG1-CG2 4.3Å; V38-V54 HydrophobicContact CG2-CG1 3.88Å; V54-L69 HydrophobicContact CB-CB 4.41Å; V54-L69 HydrophobicContact CG1-CB 4.27Å; V54-L69 HydrophobicContact CG1-CD1 4.11Å; V54-L69 WeakPolarHBondContact O-CB 3.4Å; V54-L69 PolarHBondContact O-N 2.88Å; V54-G70 PolarHBondContact N-O 3.31Å; V54-G70 PolarHBondContact O-N 2.84Å; V54-L72 HydrophobicContact CG2-CD1 3.91Å; V54-L72 HydrophobicContact CG2-CG 3.86Å; V54-Y81 HydrophobicContact CB-CE2 4.21Å; V54-Y81 HydrophobicContact CG1-CD2 4.48Å; V54-Y81 HydrophobicContact CG1-CE2 3.91Å; V54-Y81 HydrophobicContact CG2-CE2 4.32Å; V54-I116 HydrophobicContact CG1-CG2 4.43Å; V54-G117 CarbonylContact C-O 3.49Å; V54-I118 HydrophobicContact CG2-CG1 4.49Å
55Y91.5Very high84.5Confident17 Ų1746.6 Ų46.67%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-131.6148.1-177.4-58-100.2000110.4G53 H67 F68 V95 P98 F99 I116 G117G53-Y55 VanDerWaalsContact O-CD2 3.25Å; G53-Y55 WeakPolarHBondContact O-CD2 3.45Å; G53-Y55 VanDerWaalsContact O-CE2 3.27Å; G53-Y55 WeakPolarHBondContact O-CE2 3.27Å; Y55-H67 CarbonylContact C-O 3.59Å; Y55-H67 VanDerWaalsContact CA-O 3.25Å; Y55-H67 WeakPolarHBondContact CA-O 3.46Å; Y55-F68 HydrophobicContact CD1-CB 4.03Å; Y55-F68 AromaticContact CD1-CD2 3.9Å; Y55-F68 HydrophobicContact CD1-CD2 3.9Å; Y55-F68 HydrophobicContact CD1-CG 4.48Å; Y55-F68 HydrophobicContact CE1-CB 3.97Å; Y55-F68 AromaticContact CE1-CD2 3.47Å; Y55-F68 HydrophobicContact CE1-CD2 3.47Å; Y55-F68 VanDerWaalsContact CE1-CD2 3.47Å; Y55-F68 HydrophobicContact CE1-CE2 4.4Å; Y55-F68 HydrophobicContact CE1-CG 4.18Å; Y55-F68 HydrophobicContact CE2-CD2 4.17Å; Y55-F68 HydrophobicContact CE2-CE2 4.48Å; Y55-F68 HydrophobicContact CG-CD2 4.41Å; Y55-F68 AromaticContact CZ-CD2 3.61Å; Y55-V95 HydrophobicContact CE1-CB 4.45Å; Y55-V95 HydrophobicContact CE1-CG1 4.2Å; Y55-V95 HydrophobicContact CE1-CG2 4.24Å; Y55-P98 HydrophobicContact CD1-CG 4.02Å; Y55-P98 HydrophobicContact CE1-CG 4.07Å; Y55-P98 HydrophobicContact CG-CG 4.3Å; Y55-F99 AromaticContact CD2-CE2 3.9Å; Y55-F99 HydrophobicContact CD2-CE2 3.9Å; Y55-F99 AromaticContact CD2-CZ 3.66Å; Y55-F99 HydrophobicContact CD2-CZ 3.66Å; Y55-F99 HydrophobicContact CE2-CZ 4.29Å; Y55-F99 AromaticContact CG-CE2 3.98Å; Y55-F99 HydrophobicContact CG-CE2 3.98Å; Y55-F99 HydrophobicContact CG-CZ 4.22Å; Y55-I116 WeakPolarHBondContact O-CA 3.35Å; Y55-G117 PolarHBondContact N-O 3.44Å; Y55-G117 PolarHBondContact O-N 2.98Å
56L90Very high84.2Confident0 Ų041.6 Ų41.60%025%0.245CC..EExtended strand (participates in β ladder)trans-115.7117.9173.1177.767.8000110L30 I36 I58 H67 L69 V83 L86 A114 I116L30-L56 HydrophobicContact CD1-CD1 3.86Å; L30-L56 HydrophobicContact CD1-CD2 4.31Å; I36-L56 HydrophobicContact CD1-CD1 4.27Å; L56-I58 HydrophobicContact CD1-CG1 4.47Å; L56-I58 HydrophobicContact CD2-CD1 3.77Å; L56-I58 HydrophobicContact CD2-CG1 4.09Å; L56-I58 HydrophobicContact CG-CD1 4.17Å; L56-I58 HydrophobicContact CG-CG1 3.94Å; L56-H67 PolarHBondContact N-O 2.78Å; L56-H67 PolarHBondContact O-N 2.83Å; L56-L69 HydrophobicContact CB-CD1 3.8Å; L56-L69 HydrophobicContact CB-CD2 4.02Å; L56-L69 HydrophobicContact CB-CG 3.91Å; L56-V83 HydrophobicContact CD2-CB 3.88Å; L56-V83 HydrophobicContact CD2-CG1 3.67Å; L56-L86 HydrophobicContact CD2-CD1 4.15Å; L56-A114 HydrophobicContact CD1-CB 4.4Å; L56-I116 HydrophobicContact CB-CD1 4.34Å; L56-I116 HydrophobicContact CD1-CD1 3.71Å
57G87Confident83.9Confident0 Ų041.3 Ų41.30%024%0.244CC..EExtended strand (participates in β ladder)trans-91128.9170.500000110.6N65 W66 A114 Q115G57-N65 WeakPolarHBondContact CA-O 3.42Å; G57-W66 VanDerWaalsContact CA-CE3 3.48Å; G57-W66 VanDerWaalsContact N-CE3 3.26Å; G57-W66 VanDerWaalsContact N-CZ3 3.27Å; G57-A114 CarbonylContact O-C 3.56Å; G57-A114 VanDerWaalsContact O-CA 3.32Å; G57-A114 WeakPolarHBondContact O-CA 3.25Å; G57-Q115 PolarHBondContact N-O 2.8Å; G57-Q115 PolarHBondContact O-N 3.1Å
58I81.5Confident83.8Confident11 Ų1139.2 Ų39.26%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-131.9137.5173.2-56172.6000107.5L56 E60 N65 L86 A87 V112L56-I58 HydrophobicContact CD1-CG1 4.47Å; L56-I58 HydrophobicContact CD2-CD1 3.77Å; L56-I58 HydrophobicContact CD2-CG1 4.09Å; L56-I58 HydrophobicContact CG-CD1 4.17Å; L56-I58 HydrophobicContact CG-CG1 3.94Å; I58-E60 HydrophobicContact CG2-CG 4.26Å; I58-N65 PolarHBondContact N-O 3.14Å; I58-N65 PolarHBondContact O-N 2.86Å; I58-L86 HydrophobicContact CD1-CB 4.34Å; I58-A87 HydrophobicContact CD1-CB 4.32Å; I58-V112 HydrophobicContact CG2-CG1 3.79Å
59Q74.2Confident83.8Confident34 Ų3434.2 Ų34.216%0.15920%0.195CC..EExtended strand (participates in β ladder)trans-84117.4168.7-62.8-162.8-65.900111.2V63 F105 V112 P113Q59-V63 WeakPolarHBondContact CA-O 3.28Å; Q59-F105 HydrophobicContact CG-CB 3.45Å; Q59-F105 VanDerWaalsContact CG-CB 3.45Å; Q59-F105 HydrophobicContact CG-CD1 3.48Å; Q59-F105 VanDerWaalsContact CG-CD1 3.48Å; Q59-F105 HydrophobicContact CG-CD2 4.02Å; Q59-F105 HydrophobicContact CG-CE1 4.17Å; Q59-F105 HydrophobicContact CG-CG 3.36Å; Q59-V112 HydrophobicContact CB-CG1 4.14Å; Q59-V112 WeakPolarHBondContact O-CG1 3.46Å; Q59-P113 HydrophobicContact CG-CG 4.31Å
60E68.9Low83.9Confident48 Ų4828.2 Ų28.222%0.22416%0.163CC..EExtended strand (participates in β ladder)trans-114120.4172.1-65.1179160.900108.2I58 G62 V63 N65I58-E60 HydrophobicContact CG2-CG 4.26Å; E60-G62 PolarHBondContact O-N 3.36Å; E60-G62 VanDerWaalsContact O-N 3.14Å; E60-V63 PolarHBondContact N-O 2.84Å; E60-V63 PolarHBondContact O-N 3.08Å; E60-N65 PolarHBondContact OE2-ND2 2.79Å
61N68Low83.8Confident176 Ų17626.5 Ų26.594%0.94116%0.156SC*.THydrogen-bonded Turntrans54.233-178.3-55.2-41.6000114.3V63N61-V63 VanDerWaalsContact C-N 3.25Å; N61-V63 PolarHBondContact O-N 2.84Å
62G67.7Low83.8Confident58 Ų5826.5 Ų26.560%0.59816%0.156SC*.THydrogen-bonded Turntrans81.4-3.9-178.500000114.7E60E60-G62 PolarHBondContact O-N 3.36Å; E60-G62 VanDerWaalsContact O-N 3.14Å
63V71Confident83.9Confident85 Ų8527.9 Ų27.952%0.51517%0.165SC..EExtended strand (participates in β ladder)trans-97128.4175.5-176.60000109.5Q59 E60 N61 N65Q59-V63 WeakPolarHBondContact CA-O 3.28Å; E60-V63 PolarHBondContact N-O 2.84Å; E60-V63 PolarHBondContact O-N 3.08Å; N61-V63 VanDerWaalsContact C-N 3.25Å; N61-V63 PolarHBondContact O-N 2.84Å; V63-N65 PolarHBondContact O-N 2.85Å
64P74.4Confident83.8Confident39 Ų3931.3 Ų31.325%0.25318%0.183SC..EExtended strand (participates in β ladder)trans-73.6114.1174.429.5-33.8000111.5F105P64-F105 HydrophobicContact CB-CD2 3.45Å; P64-F105 VanDerWaalsContact CB-CD2 3.45Å; P64-F105 HydrophobicContact CB-CE2 3.1Å; P64-F105 HydrophobicContact CB-CZ 3.95Å; P64-F105 HydrophobicContact CG-CD2 4.46Å; P64-F105 HydrophobicContact CG-CE2 4.34Å
65N79.1Confident83.7Confident27 Ų2740.4 Ų40.414%0.14423%0.226CC..EExtended strand (participates in β ladder)trans-104.5128.4174.8-72.6-31.4000110.1G57 I58 E60 V63 N94G57-N65 WeakPolarHBondContact CA-O 3.42Å; I58-N65 PolarHBondContact N-O 3.14Å; I58-N65 PolarHBondContact O-N 2.86Å; E60-N65 PolarHBondContact OE2-ND2 2.79Å; V63-N65 PolarHBondContact O-N 2.85Å; N65-N94 PolarHBondContact OD1-ND2 2.92Å
66W85.7Confident83.7Confident2 Ų245 Ų451%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-109.9127.3-179.1-7794000110.7L24 G57 N94 V95 F99 A103 F105 Q115L24-W66 HydrophobicContact CD2-CH2 3.59Å; L24-W66 HydrophobicContact CD2-CZ2 4.16Å; L24-W66 HydrophobicContact CD2-CZ3 4.43Å; G57-W66 VanDerWaalsContact CA-CE3 3.48Å; G57-W66 VanDerWaalsContact N-CE3 3.26Å; G57-W66 VanDerWaalsContact N-CZ3 3.27Å; W66-N94 PolarHBondContact O-OD1 2.78Å; W66-V95 PolarHBondContact O-N 2.88Å; W66-F99 HydrophobicContact CD2-CD2 4.18Å; W66-F99 AromaticContact CE3-CD2 3.99Å; W66-F99 HydrophobicContact CE3-CD2 3.99Å; W66-F99 AromaticContact CE3-CE2 3.94Å; W66-F99 HydrophobicContact CE3-CE2 3.94Å; W66-F99 AromaticContact CH2-CD2 3.77Å; W66-F99 HydrophobicContact CH2-CD2 3.77Å; W66-F99 HydrophobicContact CH2-CE2 4.16Å; W66-F99 AromaticContact CZ2-CD2 3.96Å; W66-F99 HydrophobicContact CZ2-CD2 3.96Å; W66-F99 AromaticContact CZ3-CD2 3.79Å; W66-F99 HydrophobicContact CZ3-CD2 3.79Å; W66-F99 AromaticContact CZ3-CE2 3.74Å; W66-F99 HydrophobicContact CZ3-CE2 3.74Å; W66-A103 HydrophobicContact CZ2-CB 3.82Å; W66-F105 AromaticContact CE2-CZ 3.99Å; W66-F105 HydrophobicContact CZ2-CE2 4.16Å; W66-F105 AromaticContact CZ2-CZ 3.88Å; W66-F105 HydrophobicContact CZ2-CZ 3.88Å; W66-F105 AromaticContact NE1-CE2 3.9Å; W66-Q115 HydrophobicContact CH2-CB 4Å; W66-Q115 HydrophobicContact CH2-CG 4.12Å; W66-Q115 VanDerWaalsContact CH2-OE1 3.32Å; W66-Q115 VanDerWaalsContact CZ2-OE1 3.26Å
67H85.9Confident83.9Confident2 Ų247.5 Ų47.51%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-117.4127.9-178.9-55.991000109.7Y55 L56 L69 L86 L92Y55-H67 CarbonylContact C-O 3.59Å; Y55-H67 VanDerWaalsContact CA-O 3.25Å; Y55-H67 WeakPolarHBondContact CA-O 3.46Å; L56-H67 PolarHBondContact N-O 2.78Å; L56-H67 PolarHBondContact O-N 2.83Å; H67-L69 PolarHBondContact O-N 2.79Å; H67-L86 HydrophobicContact CB-CD2 3.99Å; H67-L92 HydrophobicContact CB-CB 4.22Å; H67-L92 HydrophobicContact CB-CD1 4.19Å
68F89.2Confident84.2Confident21 Ų2150.7 Ų50.79%0.09228%0.284CS..EExtended strand (participates in β ladder)trans-71.6126.7172-180-108.8000110.4Y55 G70 V71 V95 P127 Q129Y55-F68 HydrophobicContact CD1-CB 4.03Å; Y55-F68 AromaticContact CD1-CD2 3.9Å; Y55-F68 HydrophobicContact CD1-CD2 3.9Å; Y55-F68 HydrophobicContact CD1-CG 4.48Å; Y55-F68 HydrophobicContact CE1-CB 3.97Å; Y55-F68 AromaticContact CE1-CD2 3.47Å; Y55-F68 HydrophobicContact CE1-CD2 3.47Å; Y55-F68 VanDerWaalsContact CE1-CD2 3.47Å; Y55-F68 HydrophobicContact CE1-CE2 4.4Å; Y55-F68 HydrophobicContact CE1-CG 4.18Å; Y55-F68 HydrophobicContact CE2-CD2 4.17Å; Y55-F68 HydrophobicContact CE2-CE2 4.48Å; Y55-F68 HydrophobicContact CG-CD2 4.41Å; Y55-F68 AromaticContact CZ-CD2 3.61Å; F68-G70 VanDerWaalsContact CE2-O 3.28Å; F68-G70 WeakPolarHBondContact CE2-O 3.45Å; F68-G70 WeakPolarHBondContact CZ-O 3.29Å; F68-V71 HydrophobicContact CE2-CG2 4.4Å; F68-V71 HydrophobicContact CZ-CG2 3.67Å; F68-V95 HydrophobicContact CB-CG2 3.94Å; F68-P127 HydrophobicContact CD1-CB 3.95Å; F68-P127 HydrophobicContact CD1-CG 4.29Å; F68-P127 HydrophobicContact CD2-CG 4.22Å; F68-P127 HydrophobicContact CE1-CB 3.65Å; F68-P127 HydrophobicContact CE1-CG 4.19Å; F68-P127 VanDerWaalsContact CE1-O 3.3Å; F68-P127 WeakPolarHBondContact CE1-O 3.38Å; F68-P127 HydrophobicContact CE2-CB 4.41Å; F68-P127 HydrophobicContact CE2-CG 4.1Å; F68-P127 HydrophobicContact CG-CB 4.44Å; F68-P127 HydrophobicContact CG-CG 4.28Å; F68-P127 HydrophobicContact CZ-CB 3.88Å; F68-P127 HydrophobicContact CZ-CG 4.05Å; F68-P127 WeakPolarHBondContact CZ-O 3.26Å; F68-Q129 HydrophobicContact CE1-CB 4.32Å
69L89.5Confident84.8Confident7 Ų750.9 Ų50.94%0.03729%0.288CS..EExtended strand (participates in β ladder)trans-97.6-37.7-179.3-66.5-174.1000112.8V54 L56 H67 Y81 V83 L86 L92 I116 Q129V54-L69 HydrophobicContact CB-CB 4.41Å; V54-L69 HydrophobicContact CG1-CB 4.27Å; V54-L69 HydrophobicContact CG1-CD1 4.11Å; V54-L69 WeakPolarHBondContact O-CB 3.4Å; V54-L69 PolarHBondContact O-N 2.88Å; L56-L69 HydrophobicContact CB-CD1 3.8Å; L56-L69 HydrophobicContact CB-CD2 4.02Å; L56-L69 HydrophobicContact CB-CG 3.91Å; H67-L69 PolarHBondContact O-N 2.79Å; L69-Y81 HydrophobicContact CB-CD1 3.66Å; L69-Y81 HydrophobicContact CB-CD2 4.31Å; L69-Y81 HydrophobicContact CB-CE1 3.91Å; L69-Y81 HydrophobicContact CB-CG 3.85Å; L69-Y81 HydrophobicContact CD1-CD2 4.04Å; L69-Y81 HydrophobicContact CD1-CG 3.94Å; L69-Y81 HydrophobicContact CG-CG 4.42Å; L69-Y81 WeakPolarHBondContact O-CD1 3.37Å; L69-Y81 VanDerWaalsContact O-CE1 3.26Å; L69-Y81 WeakPolarHBondContact O-CE1 3.28Å; L69-V83 HydrophobicContact CD2-CG1 4.39Å; L69-L86 HydrophobicContact CD2-CD1 3.74Å; L69-L92 HydrophobicContact CD2-CD1 4.37Å; L69-I116 HydrophobicContact CD1-CD1 4.23Å; L69-Q129 PolarHBondContact O-NE2 2.95Å; L69-Q129 VanDerWaalsContact O-NE2 3.1Å; L69-Q129 PolarHBondContact O-OE1 3.02Å
70G90.4Very high85.7Confident0 Ų055 Ų550%031%0.31CS..EExtended strand (participates in β ladder)trans158.8-170.7-179.700000113.5V54 F68 Q129V54-G70 PolarHBondContact N-O 3.31Å; V54-G70 PolarHBondContact O-N 2.84Å; F68-G70 VanDerWaalsContact CE2-O 3.28Å; F68-G70 WeakPolarHBondContact CE2-O 3.45Å; F68-G70 WeakPolarHBondContact CZ-O 3.29Å; G70-Q129 VanDerWaalsContact CA-OE1 3.24Å
71V92.7Very high86.7Confident29 Ų2953.3 Ų53.318%0.17630%0.301CS..EExtended strand (participates in β ladder)trans-116.5137.7-178.7-175.90000111.1G52 F68 T73 L123 L126 P127G52-V71 CarbonylContact O-C 3.57Å; G52-V71 WeakPolarHBondContact O-CA 3.44Å; F68-V71 HydrophobicContact CE2-CG2 4.4Å; F68-V71 HydrophobicContact CZ-CG2 3.67Å; V71-T73 HydrophobicContact CG1-CG2 3.94Å; V71-L123 HydrophobicContact CG1-CD2 4.36Å; V71-L126 HydrophobicContact CG1-CD1 3.7Å; V71-L126 HydrophobicContact CG2-CB 3.91Å; V71-L126 HydrophobicContact CG2-CD1 4.34Å; V71-P127 WeakPolarHBondContact CG2-O 3.34Å
72L93.5Very high87.5Confident0 Ų051.2 Ų51.20%028%0.284CS..EExtended strand (participates in β ladder)trans-103.3139.9164.7-63.4179000110V38 F46 G51 G52 V54 A79V38-L72 HydrophobicContact CB-CD1 4.24Å; V38-L72 HydrophobicContact CG1-CD1 3.82Å; F46-L72 HydrophobicContact CE2-CB 4.02Å; F46-L72 VanDerWaalsContact CE2-O 3.28Å; F46-L72 WeakPolarHBondContact CE2-O 3.3Å; F46-L72 HydrophobicContact CZ-CB 4.27Å; G51-L72 CarbonylContact C-O 3.6Å; G51-L72 VanDerWaalsContact CA-O 3.25Å; G51-L72 WeakPolarHBondContact CA-O 3.46Å; G52-L72 PolarHBondContact N-O 3.1Å; G52-L72 PolarHBondContact O-N 3.03Å; V54-L72 HydrophobicContact CG2-CD1 3.91Å; V54-L72 HydrophobicContact CG2-CG 3.86Å; L72-A79 HydrophobicContact CD2-CB 3.85Å
73T94.2Very high88.2Confident29 Ų2948.7 Ų48.718%0.17826%0.257CS..  trans-133.9173.8176.971.10000109.7V71 E75 K76 P77 L123V71-T73 HydrophobicContact CG1-CG2 3.94Å; T73-E75 PolarHBondContact O-N 2.79Å; T73-E75 PolarHBondContact OG1-N 2.8Å; T73-K76 PolarHBondContact N-O 2.71Å; T73-K76 CarbonylContact O-C 3.54Å; T73-K76 PolarHBondContact O-N 3.5Å; T73-K76 VanDerWaalsContact O-O 3.04Å; T73-K76 PolarHBondContact OG1-N 2.95Å; T73-P77 VanDerWaalsContact O-CA 3.25Å; T73-P77 WeakPolarHBondContact O-CA 3.36Å; T73-P77 VanDerWaalsContact O-N 3.13Å; T73-L123 HydrophobicContact CG2-CD2 3.53Å
74N92.1Very high88.2Confident73 Ų7345.7 Ų45.739%0.3924%0.243SC..SBendtrans-64.2-29.2173.8-68.3-32.1000112.6F46F46-N74 PolarHBondContact N-OD1 3.31Å; F46-N74 PolarHBondContact O-ND2 3.08Å
75E91.3Very high87.6Confident190 Ų19047.9 Ų47.989%0.88825%0.248SC*.SBendtrans-81.5-30.1176.6-62.4-178.1174.800112.3T73 P77T73-E75 PolarHBondContact O-N 2.79Å; T73-E75 PolarHBondContact OG1-N 2.8Å; E75-P77 VanDerWaalsContact C-CD 3.44Å; E75-P77 WeakPolarHBondContact O-CD 3.41Å
76K92.4Very high86.7Confident113 Ų11347 Ų4749%0.49124%0.244SC..SBendtrans-121.274.3174.9-168.4174.9-178.8175.40109.5T73 S78T73-K76 PolarHBondContact N-O 2.71Å; T73-K76 CarbonylContact O-C 3.54Å; T73-K76 PolarHBondContact O-N 3.5Å; T73-K76 VanDerWaalsContact O-O 3.04Å; T73-K76 PolarHBondContact OG1-N 2.95Å; K76-S78 PolarHBondContact O-N 2.99Å
77P93.1Very high85.2Confident54 Ų5449.9 Ų49.935%0.35127%0.268SS..  trans-75.9-10.1-171.831.1-37.4000113.2F39 L40 T73 E75F39-P77 CarbonylContact C-O 3.51Å; F39-P77 WeakPolarHBondContact CA-O 3.16Å; L40-P77 HydrophobicContact CB-CB 4.09Å; L40-P77 HydrophobicContact CD1-CB 3.94Å; L40-P77 HydrophobicContact CG-CB 4.16Å; L40-P77 PolarHBondContact N-O 3.12Å; T73-P77 VanDerWaalsContact O-CA 3.25Å; T73-P77 WeakPolarHBondContact O-CA 3.36Å; T73-P77 VanDerWaalsContact O-N 3.13Å; E75-P77 VanDerWaalsContact C-CD 3.44Å; E75-P77 WeakPolarHBondContact O-CD 3.41Å
78S94.3Very high83.5Confident66 Ų6658.3 Ų58.346%0.46230%0.304SS..EExtended strand (participates in β ladder)trans-141.5150.4-179.963.90000112V38 F39 K76V38-S78 WeakPolarHBondContact O-CA 3.36Å; F39-S78 VanDerWaalsContact CB-CB 3.41Å; K76-S78 PolarHBondContact O-N 2.99Å
79A93.1Very high81.5Confident16 Ų1660.6 Ų60.613%0.13232%0.318CS..EExtended strand (participates in β ladder)trans-151.9152.9174.500000111.2V37 V38 L72 Y81V37-A79 WeakPolarHBondContact CA-O 3.15Å; V37-A79 WeakPolarHBondContact CG1-O 3.3Å; V38-A79 PolarHBondContact N-O 3.01Å; V38-A79 PolarHBondContact O-N 2.73Å; L72-A79 HydrophobicContact CD2-CB 3.85Å; A79-Y81 HydrophobicContact CB-CE1 3.99Å; A79-Y81 HydrophobicContact CB-CE2 3.96Å; A79-Y81 WeakPolarHBondContact CB-OH 3.47Å
80I92.9Very high79.6Confident120 Ų12064.7 Ų64.762%0.61535%0.347SS*.EExtended strand (participates in β ladder)trans-108.3125.5175.5-51.6-178.6000107.8H35 V37H35-I80 HydrophobicContact CB-CG2 4.11Å; V37-I80 HydrophobicContact CG1-CG1 4.29Å; V37-I80 HydrophobicContact CG2-CG1 3.98Å; V37-I80 HydrophobicContact CG2-CG2 4.27Å
81Y90.5Very high77.5Confident12 Ų1272 Ų725%0.04738%0.381CS..EExtended strand (participates in β ladder)trans-113.3133.3-178.3-55.5-71.5000110.7H35 I36 V38 V54 L69 A79H35-Y81 CarbonylContact C-O 3.59Å; H35-Y81 VanDerWaalsContact CA-O 3.26Å; H35-Y81 WeakPolarHBondContact CA-O 3.48Å; I36-Y81 PolarHBondContact N-O 2.88Å; I36-Y81 PolarHBondContact O-N 3.43Å; V38-Y81 HydrophobicContact CB-CE2 3.99Å; V38-Y81 HydrophobicContact CG2-CD2 4.09Å; V38-Y81 HydrophobicContact CG2-CE2 3.96Å; V54-Y81 HydrophobicContact CB-CE2 4.21Å; V54-Y81 HydrophobicContact CG1-CD2 4.48Å; V54-Y81 HydrophobicContact CG1-CE2 3.91Å; V54-Y81 HydrophobicContact CG2-CE2 4.32Å; L69-Y81 HydrophobicContact CB-CD1 3.66Å; L69-Y81 HydrophobicContact CB-CD2 4.31Å; L69-Y81 HydrophobicContact CB-CE1 3.91Å; L69-Y81 HydrophobicContact CB-CG 3.85Å; L69-Y81 HydrophobicContact CD1-CD2 4.04Å; L69-Y81 HydrophobicContact CD1-CG 3.94Å; L69-Y81 HydrophobicContact CG-CG 4.42Å; L69-Y81 WeakPolarHBondContact O-CD1 3.37Å; L69-Y81 VanDerWaalsContact O-CE1 3.26Å; L69-Y81 WeakPolarHBondContact O-CE1 3.28Å; A79-Y81 HydrophobicContact CB-CE1 3.99Å; A79-Y81 HydrophobicContact CB-CE2 3.96Å; A79-Y81 WeakPolarHBondContact CB-OH 3.47Å
82K85.5Confident75.5Confident132 Ų13273.2 Ų73.257%0.57439%0.386SS*.EExtended strand (participates in β ladder)trans-89.2113.8177.4-174.7177.7-177.6173.60110.1N34N34-K82 CarbonylContact O-C 3.58Å; N34-K82 WeakPolarHBondContact O-CA 3.39Å
83V81.5Confident73.6Confident6 Ų680.2 Ų80.24%0.03642%0.419CS..  trans-115.1-13.9-173.3-55.60000114.5L30 V33 N34 I36 L56 L69 K85 L86L30-V83 HydrophobicContact CD1-CG2 4.47Å; V33-V83 HydrophobicContact CG1-CG2 4.18Å; V33-V83 WeakPolarHBondContact O-CG2 3.36Å; N34-V83 PolarHBondContact O-N 2.81Å; I36-V83 HydrophobicContact CB-CG1 4.47Å; I36-V83 HydrophobicContact CD1-CB 4.42Å; I36-V83 HydrophobicContact CD1-CG1 3.92Å; I36-V83 HydrophobicContact CD1-CG2 3.88Å; I36-V83 HydrophobicContact CG1-CG1 4.08Å; I36-V83 HydrophobicContact CG1-CG2 3.76Å; L56-V83 HydrophobicContact CD2-CB 3.88Å; L56-V83 HydrophobicContact CD2-CG1 3.67Å; L69-V83 HydrophobicContact CD2-CG1 4.39Å; V83-K85 PolarHBondContact O-N 2.83Å; V83-L86 HydrophobicContact CB-CD1 4.28Å; V83-L86 HydrophobicContact CG1-CD1 4.19Å; V83-L86 WeakPolarHBondContact O-CB 3.25Å; V83-L86 PolarHBondContact O-N 2.81Å
84G70.3Confident71.9Confident21 Ų2183.2 Ų83.222%0.21643%0.434CS..THydrogen-bonded Turntrans-63.1-18.5-173.900000115.5N34N34-G84 PolarHBondContact O-N 3.45Å
85K63.1Low70.4Confident85 Ų8581.6 Ų81.637%0.3743%0.426SS..THydrogen-bonded Turntrans-97.7-16.8174-68.9-169.4169.8-159.90113.8V83 K88 N89 E136V83-K85 PolarHBondContact O-N 2.83Å; K85-K88 CarbonylContact O-C 3.58Å; K85-K88 PolarHBondContact O-N 2.87Å; K85-N89 PolarHBondContact O-N 3.14Å; K85-E136 IonicContact NZ-OE1 2.68Å; K85-E136 PolarHBondContact NZ-OE1 2.82Å; K85-E136 IonicContact NZ-OE2 3.75Å; K85-E136 PolarHBondContact NZ-OE2 2.64Å
86L59.3Low69.1Low10 Ų1080.3 Ų80.35%0.05242%0.424CS..THydrogen-bonded Turntrans-64.1-43.7-175.3-93.1157.4000111.6L56 I58 H67 L69 V83 K88 N89 L92L56-L86 HydrophobicContact CD2-CD1 4.15Å; I58-L86 HydrophobicContact CD1-CB 4.34Å; H67-L86 HydrophobicContact CB-CD2 3.99Å; L69-L86 HydrophobicContact CD2-CD1 3.74Å; V83-L86 HydrophobicContact CB-CD1 4.28Å; V83-L86 HydrophobicContact CG1-CD1 4.19Å; V83-L86 WeakPolarHBondContact O-CB 3.25Å; V83-L86 PolarHBondContact O-N 2.81Å; L86-K88 PolarHBondContact O-N 3.34Å; L86-N89 PolarHBondContact O-N 2.9Å; L86-L92 HydrophobicContact CD1-CD1 3.65Å; L86-L92 HydrophobicContact CD2-CB 3.82Å; L86-L92 HydrophobicContact CD2-CD1 3.32Å; L86-L92 HydrophobicContact CD2-CG 3.65Å; L86-L92 HydrophobicContact CG-CD1 3.88Å; L86-L92 HydrophobicContact CG-CG 4.47Å
87A54Low68Low61 Ų6177.9 Ų77.950%0.50442%0.415SS..THydrogen-bonded Turntrans-63.7-4.2173.900000114.4I58I58-A87 HydrophobicContact CD1-CB 4.32Å
88K51.4Low66.8Low179 Ų17976.9 Ų76.978%0.77841%0.408SS*.THydrogen-bonded Turntrans-119.8-28.4-179.3-62.5-175-178.61800113.1K85 L86K85-K88 CarbonylContact O-C 3.58Å; K85-K88 PolarHBondContact O-N 2.87Å; L86-K88 PolarHBondContact O-N 3.34Å
89N47.6Very low65.9Low70 Ų7073.8 Ų73.837%0.37439%0.386SS..  trans-128.8110.7-173.2-73.6-16.9000109.4K85 L86 Q91K85-N89 PolarHBondContact O-N 3.14Å; L86-N89 PolarHBondContact O-N 2.9Å; N89-Q91 HydrophobicContact CB-CB 4.48Å; N89-Q91 HydrophobicContact CB-CG 4.1Å; N89-Q91 PolarHBondContact O-N 2.9Å
90S47.6Very low64.5Low93 Ų9374.8 Ų74.865%0.6540%0.398SS*.THydrogen-bonded Turntrans-66.525.9173.965.70000114.6
91Q46.7Very low62.8Low152 Ų15275.1 Ų75.171%0.7141%0.406SS*.THydrogen-bonded Turntrans-83.6-14.8-169.4-70.3-91.6-54.300113.4N89N89-Q91 HydrophobicContact CB-CB 4.48Å; N89-Q91 HydrophobicContact CB-CG 4.1Å; N89-Q91 PolarHBondContact O-N 2.9Å
92L50.9Low61Low56 Ų5680.5 Ų80.529%0.29344%0.435SS..SBendtrans-77.3145.2167.3-75.9-174.1000109.7H67 L69 L86 N94H67-L92 HydrophobicContact CB-CB 4.22Å; H67-L92 HydrophobicContact CB-CD1 4.19Å; L69-L92 HydrophobicContact CD2-CD1 4.37Å; L86-L92 HydrophobicContact CD1-CD1 3.65Å; L86-L92 HydrophobicContact CD2-CB 3.82Å; L86-L92 HydrophobicContact CD2-CD1 3.32Å; L86-L92 HydrophobicContact CD2-CG 3.65Å; L86-L92 HydrophobicContact CG-CD1 3.88Å; L86-L92 HydrophobicContact CG-CG 4.47Å; L92-N94 PolarHBondContact O-N 2.85Å
93Q53.6Low59.5Low147 Ų14774.4 Ų74.469%0.68741%0.41SS*.  trans-51.7108.4174.5-64.9-176.3-3.400108.7V95Q93-V95 WeakPolarHBondContact O-CG2 3.37Å; Q93-V95 PolarHBondContact O-N 3.32Å; Q93-V95 VanDerWaalsContact O-N 3.14Å
94N58Low58.2Low91 Ų9177.7 Ų77.749%0.48743%0.433SS..EExtended strand (participates in β ladder)trans-67.8113.1175.2-158.7-14000106.2N65 W66 L92N65-N94 PolarHBondContact OD1-ND2 2.92Å; W66-N94 PolarHBondContact O-OD1 2.78Å; L92-N94 PolarHBondContact O-N 2.85Å
95V61.3Low57.7Low39 Ų3977.5 Ų77.524%0.23643%0.426CS..EExtended strand (participates in β ladder)trans-90.4134.8-177.1-175.80000107.9Y55 W66 F68 Q93 Q97 P98Y55-V95 HydrophobicContact CE1-CB 4.45Å; Y55-V95 HydrophobicContact CE1-CG1 4.2Å; Y55-V95 HydrophobicContact CE1-CG2 4.24Å; W66-V95 PolarHBondContact O-N 2.88Å; F68-V95 HydrophobicContact CB-CG2 3.94Å; Q93-V95 WeakPolarHBondContact O-CG2 3.37Å; Q93-V95 PolarHBondContact O-N 3.32Å; Q93-V95 VanDerWaalsContact O-N 3.14Å; V95-Q97 PolarHBondContact O-N 2.81Å; V95-Q97 VanDerWaalsContact O-N 3.1Å; V95-P98 HydrophobicContact CG1-CG 4.47Å
96I64.7Low57.2Low163 Ų16380.6 Ų80.684%0.83644%0.442SS*.  trans-56.9119.4171.5-60.6170.6000107.6P98I96-P98 VanDerWaalsContact O-CD 3.25Å; I96-P98 WeakPolarHBondContact O-CD 3.32Å
97Q68.7Low56.5Low63 Ų6384 Ų8429%0.29447%0.465SS..  trans-27.296.3-175.2-177.4169.9-3.500114.2V95 F99 G100V95-Q97 PolarHBondContact O-N 2.81Å; V95-Q97 VanDerWaalsContact O-N 3.1Å; Q97-F99 VanDerWaalsContact C-N 3.28Å; Q97-F99 PolarHBondContact O-N 3.35Å; Q97-G100 PolarHBondContact NE2-O 2.88Å
98P69Low56.2Low32 Ų3285.2 Ų85.221%0.20847%0.47CS..THydrogen-bonded Turntrans-76.8-16-169.724.1-28.1000113.5Q22 Y55 V95 I96Q22-P98 PolarHBondContact NE2-O 2.92Å; Q22-P98 PolarHBondContact OE1-O 3.14Å; Y55-P98 HydrophobicContact CD1-CG 4.02Å; Y55-P98 HydrophobicContact CE1-CG 4.07Å; Y55-P98 HydrophobicContact CG-CG 4.3Å; V95-P98 HydrophobicContact CG1-CG 4.47Å; I96-P98 VanDerWaalsContact O-CD 3.25Å; I96-P98 WeakPolarHBondContact O-CD 3.32Å
99F75Confident56.1Low2 Ų284.4 Ų84.41%0.00948%0.475CS..THydrogen-bonded Turntrans-98.912.5-174.1-58.1-73.1000114.3Q22 L24 Y55 W66 Q97 A103Q22-F99 HydrophobicContact CB-CD1 3.89Å; Q22-F99 HydrophobicContact CB-CE1 4.14Å; Q22-F99 HydrophobicContact CG-CD1 4.11Å; Q22-F99 HydrophobicContact CG-CE1 4.22Å; L24-F99 HydrophobicContact CD1-CB 4.12Å; L24-F99 HydrophobicContact CD2-CB 3.92Å; L24-F99 HydrophobicContact CD2-CD1 3.86Å; L24-F99 HydrophobicContact CD2-CD2 3.75Å; L24-F99 HydrophobicContact CD2-CE1 4.38Å; L24-F99 HydrophobicContact CD2-CE2 4.29Å; L24-F99 HydrophobicContact CD2-CG 3.54Å; L24-F99 HydrophobicContact CG-CB 4.28Å; L24-F99 HydrophobicContact CG-CD1 4.35Å; L24-F99 HydrophobicContact CG-CG 4.25Å; Y55-F99 AromaticContact CD2-CE2 3.9Å; Y55-F99 HydrophobicContact CD2-CE2 3.9Å; Y55-F99 AromaticContact CD2-CZ 3.66Å; Y55-F99 HydrophobicContact CD2-CZ 3.66Å; Y55-F99 HydrophobicContact CE2-CZ 4.29Å; Y55-F99 AromaticContact CG-CE2 3.98Å; Y55-F99 HydrophobicContact CG-CE2 3.98Å; Y55-F99 HydrophobicContact CG-CZ 4.22Å; W66-F99 HydrophobicContact CD2-CD2 4.18Å; W66-F99 AromaticContact CE3-CD2 3.99Å; W66-F99 HydrophobicContact CE3-CD2 3.99Å; W66-F99 AromaticContact CE3-CE2 3.94Å; W66-F99 HydrophobicContact CE3-CE2 3.94Å; W66-F99 AromaticContact CH2-CD2 3.77Å; W66-F99 HydrophobicContact CH2-CD2 3.77Å; W66-F99 HydrophobicContact CH2-CE2 4.16Å; W66-F99 AromaticContact CZ2-CD2 3.96Å; W66-F99 HydrophobicContact CZ2-CD2 3.96Å; W66-F99 AromaticContact CZ3-CD2 3.79Å; W66-F99 HydrophobicContact CZ3-CD2 3.79Å; W66-F99 AromaticContact CZ3-CE2 3.74Å; W66-F99 HydrophobicContact CZ3-CE2 3.74Å; Q97-F99 VanDerWaalsContact C-N 3.28Å; Q97-F99 PolarHBondContact O-N 3.35Å; F99-A103 HydrophobicContact CB-CB 4.5Å
100G63.6Low56.1Low37 Ų3784.4 Ų84.438%0.38149%0.491SS..  trans66.8173.8-177.100000114Q97 N102 A103Q97-G100 PolarHBondContact NE2-O 2.88Å; G100-N102 PolarHBondContact O-N 2.87Å; G100-A103 PolarHBondContact O-N 3.33Å
101T57.7Low56.5Low127 Ų12782.9 Ų82.978%0.77948%0.478SS*.THydrogen-bonded Turntrans-59.8-13.1-179.825.90000114.5A103T101-A103 PolarHBondContact O-N 2.96Å
102N52Low57Low124 Ų12479.1 Ų79.166%0.66347%0.465SS*.THydrogen-bonded Turntrans-75.3-8.4178.4-70.1-9.9000113.8V18 G100 S104V18-N102 HydrophobicContact CG1-CB 4.49Å; G100-N102 PolarHBondContact O-N 2.87Å; N102-S104 PolarHBondContact O-N 3.4Å
103A53.1Low57.9Low5 Ų577.3 Ų77.34%0.04146%0.457CS..  trans-69.661.2161.400000109.9L24 W66 F99 G100 T101 F105L24-A103 HydrophobicContact CD1-CB 3.99Å; W66-A103 HydrophobicContact CZ2-CB 3.82Å; F99-A103 HydrophobicContact CB-CB 4.5Å; G100-A103 PolarHBondContact O-N 3.33Å; T101-A103 PolarHBondContact O-N 2.96Å; A103-F105 HydrophobicContact CB-CE2 4.49Å; A103-F105 VanDerWaalsContact O-CD2 3.3Å; A103-F105 WeakPolarHBondContact O-CD2 3.42Å; A103-F105 PolarHBondContact O-N 2.96Å
104S55Low59.3Low74 Ų7470.4 Ų70.452%0.51743%0.425SS..  trans-71.699.5169.160.40000106.6N102 Q106N102-S104 PolarHBondContact O-N 3.4Å; S104-Q106 PolarHBondContact O-N 3.14Å
105F58.9Low60.7Low17 Ų1766.4 Ų66.48%0.07540%0.403CS..  trans-61.1103.3166.1-71.7-96.3000107.4Q59 P64 W66 A103 C107 P113 Q115Q59-F105 HydrophobicContact CG-CB 3.45Å; Q59-F105 VanDerWaalsContact CG-CB 3.45Å; Q59-F105 HydrophobicContact CG-CD1 3.48Å; Q59-F105 VanDerWaalsContact CG-CD1 3.48Å; Q59-F105 HydrophobicContact CG-CD2 4.02Å; Q59-F105 HydrophobicContact CG-CE1 4.17Å; Q59-F105 HydrophobicContact CG-CG 3.36Å; P64-F105 HydrophobicContact CB-CD2 3.45Å; P64-F105 VanDerWaalsContact CB-CD2 3.45Å; P64-F105 HydrophobicContact CB-CE2 3.1Å; P64-F105 HydrophobicContact CB-CZ 3.95Å; P64-F105 HydrophobicContact CG-CD2 4.46Å; P64-F105 HydrophobicContact CG-CE2 4.34Å; W66-F105 AromaticContact CE2-CZ 3.99Å; W66-F105 HydrophobicContact CZ2-CE2 4.16Å; W66-F105 AromaticContact CZ2-CZ 3.88Å; W66-F105 HydrophobicContact CZ2-CZ 3.88Å; W66-F105 AromaticContact NE1-CE2 3.9Å; A103-F105 HydrophobicContact CB-CE2 4.49Å; A103-F105 VanDerWaalsContact O-CD2 3.3Å; A103-F105 WeakPolarHBondContact O-CD2 3.42Å; A103-F105 PolarHBondContact O-N 2.96Å; F105-C107 VanDerWaalsContact C-N 3.34Å; F105-C107 PolarHBondContact O-N 3.36Å; F105-P113 HydrophobicContact CB-CG 3.85Å; F105-P113 HydrophobicContact CD1-CG 4.07Å; F105-P113 WeakPolarHBondContact CD1-O 3.44Å; F105-P113 HydrophobicContact CG-CG 4.46Å; F105-Q115 HydrophobicContact CE1-CB 3.97Å; F105-Q115 HydrophobicContact CZ-CB 4.45Å
106Q52.6Low62.1Low150 Ų15064.6 Ų64.670%0.70139%0.392SS*.  trans-73.495.7175.1-68.7-172.9000107.5S104 S108S104-Q106 PolarHBondContact O-N 3.14Å; Q106-S108 PolarHBondContact O-N 3.17Å; Q106-S108 VanDerWaalsContact O-N 3.08Å
107C44.4Very low63.4Low81 Ų8156.8 Ų56.855%0.54735%0.352SS..  trans-66.4104166.4168.70000108F105F105-C107 VanDerWaalsContact C-N 3.34Å; F105-C107 PolarHBondContact O-N 3.36Å
108S49.4Very low64.6Low87 Ų8753.8 Ų53.861%0.60834%0.338SS*.  trans-101124.2162.463.60000108.8Q106 G110Q106-S108 PolarHBondContact O-N 3.17Å; Q106-S108 VanDerWaalsContact O-N 3.08Å; S108-G110 PolarHBondContact O-N 2.59Å
109N48.3Very low65.8Low162 Ų16252.9 Ų52.987%0.86633%0.333SS*.THydrogen-bonded Turntrans6133.5170.6-70.5-5.4000116.7V111N109-V111 PolarHBondContact O-N 2.88Å; N109-V111 VanDerWaalsContact O-N 3.09Å
110G48.2Very low66.6Low70 Ų7054 Ų5472%0.72234%0.339SS*.THydrogen-bonded Turntrans67.912.2171.800000114.5S108S108-G110 PolarHBondContact O-N 2.59Å
111V55.7Low68Low62 Ų6255.1 Ų55.138%0.37634%0.337SS..  trans-94.2123.2172.7-147.20000108.4P29 N109 P113P29-V111 HydrophobicContact CB-CB 4.41Å; P29-V111 HydrophobicContact CB-CG1 3.41Å; P29-V111 VanDerWaalsContact CB-CG1 3.41Å; P29-V111 HydrophobicContact CG-CB 3.63Å; P29-V111 HydrophobicContact CG-CG1 3.12Å; N109-V111 PolarHBondContact O-N 2.88Å; N109-V111 VanDerWaalsContact O-N 3.09Å; V111-P113 WeakPolarHBondContact O-CD 3.08Å
112V56.5Low69.7Low73 Ų7352.3 Ų52.344%0.44232%0.317SS..  trans-58.1108.3-179.3174.50000108.9I58 Q59I58-V112 HydrophobicContact CG2-CG1 3.79Å; Q59-V112 HydrophobicContact CB-CG1 4.14Å; Q59-V112 WeakPolarHBondContact O-CG1 3.46Å
113P70.2Confident71.4Confident18 Ų1849.6 Ų49.612%0.11730%0.302CS..  trans-71.8133.9175.430.8-31.6000108.1Q59 F105 V111Q59-P113 HydrophobicContact CG-CG 4.31Å; F105-P113 HydrophobicContact CB-CG 3.85Å; F105-P113 HydrophobicContact CD1-CG 4.07Å; F105-P113 WeakPolarHBondContact CD1-O 3.44Å; F105-P113 HydrophobicContact CG-CG 4.46Å; V111-P113 WeakPolarHBondContact O-CD 3.08Å
114A82.1Confident73.1Confident2 Ų255.1 Ų55.12%0.01734%0.335CS..EExtended strand (participates in β ladder)trans-102.5147.8168.600000108.4L27 L30 L56 G57L27-A114 WeakPolarHBondContact CA-O 3.4Å; L27-A114 HydrophobicContact CB-CB 4.34Å; L27-A114 WeakPolarHBondContact CB-O 3.48Å; L27-A114 PolarHBondContact N-O 3.06Å; L30-A114 HydrophobicContact CD1-CB 3.38Å; L30-A114 HydrophobicContact CG-CB 3.53Å; L56-A114 HydrophobicContact CD1-CB 4.4Å; G57-A114 CarbonylContact O-C 3.56Å; G57-A114 VanDerWaalsContact O-CA 3.32Å; G57-A114 WeakPolarHBondContact O-CA 3.25Å
115Q88.4Confident74.6Confident7 Ų756.1 Ų56.13%0.03333%0.334CS..EExtended strand (participates in β ladder)trans-133.6138.6179.7-163177.75500109.6L24 L25 D26 G57 W66 F105L24-Q115 HydrophobicContact CB-CG 4.45Å; L24-Q115 HydrophobicContact CD2-CG 4.31Å; L25-Q115 CarbonylContact O-C 3.52Å; L25-Q115 WeakPolarHBondContact O-CA 3.42Å; L25-Q115 VanDerWaalsContact O-CG 3.29Å; L25-Q115 WeakPolarHBondContact O-CG 3.26Å; D26-Q115 PolarHBondContact OD1-NE2 2.87Å; G57-Q115 PolarHBondContact N-O 2.8Å; G57-Q115 PolarHBondContact O-N 3.1Å; W66-Q115 HydrophobicContact CH2-CB 4Å; W66-Q115 HydrophobicContact CH2-CG 4.12Å; W66-Q115 VanDerWaalsContact CH2-OE1 3.32Å; W66-Q115 VanDerWaalsContact CZ2-OE1 3.26Å; F105-Q115 HydrophobicContact CE1-CB 3.97Å; F105-Q115 HydrophobicContact CZ-CB 4.45Å
116I91.5Very high75.9Confident0 Ų055.8 Ų55.80%033%0.333CS..EExtended strand (participates in β ladder)trans-97.9129.5169.3-68.2-68000108.4V4 F15 L24 L25 L27 I36 V38 V54 Y55 L56 L69 I118V4-I116 HydrophobicContact CG1-CG1 4.37Å; V4-I116 HydrophobicContact CG2-CB 4.37Å; V4-I116 HydrophobicContact CG2-CG1 4.47Å; V4-I116 HydrophobicContact CG2-CG2 4.05Å; F15-I116 HydrophobicContact CE1-CG2 4.29Å; F15-I116 HydrophobicContact CZ-CG2 4.47Å; L24-I116 CarbonylContact C-O 3.57Å; L24-I116 WeakPolarHBondContact CA-O 3.2Å; L25-I116 PolarHBondContact N-O 3.29Å; L25-I116 PolarHBondContact O-N 2.93Å; L27-I116 HydrophobicContact CD1-CD1 4.23Å; L27-I116 HydrophobicContact CD1-CG1 3.49Å; L27-I116 VanDerWaalsContact CD1-CG1 3.49Å; L27-I116 HydrophobicContact CG-CG1 4.03Å; I36-I116 HydrophobicContact CD1-CD1 4.17Å; I36-I116 HydrophobicContact CG2-CD1 4.37Å; V38-I116 HydrophobicContact CG2-CG2 4.5Å; V54-I116 HydrophobicContact CG1-CG2 4.43Å; Y55-I116 WeakPolarHBondContact O-CA 3.35Å; L56-I116 HydrophobicContact CB-CD1 4.34Å; L56-I116 HydrophobicContact CD1-CD1 3.71Å; L69-I116 HydrophobicContact CD1-CD1 4.23Å; I116-I118 HydrophobicContact CG2-CG1 4.3Å
117G91.8Very high77.1Confident0 Ų050.9 Ų50.90%032%0.315CS..EExtended strand (participates in β ladder)trans-115.5138.8173.200000111F23 V54 Y55F23-G117 CarbonylContact O-C 3.6Å; F23-G117 VanDerWaalsContact O-CA 3.28Å; F23-G117 WeakPolarHBondContact O-CA 3.21Å; V54-G117 CarbonylContact C-O 3.49Å; Y55-G117 PolarHBondContact N-O 3.44Å; Y55-G117 PolarHBondContact O-N 2.98Å
118I93.8Very high78.2Confident0 Ų055.1 Ų55.10%033%0.326CS..EExtended strand (participates in β ladder)trans-125.3122.2174.1-57.8175.4000108.1F2 F15 Q22 F23 V38 G53 V54 I116F2-I118 HydrophobicContact CB-CD1 3.56Å; F2-I118 HydrophobicContact CD1-CD1 3.74Å; F2-I118 HydrophobicContact CD1-CG2 4.3Å; F2-I118 HydrophobicContact CD2-CD1 3.93Å; F2-I118 HydrophobicContact CD2-CG2 4.4Å; F2-I118 HydrophobicContact CE1-CD1 4.47Å; F2-I118 HydrophobicContact CE1-CG2 3.99Å; F2-I118 HydrophobicContact CE2-CG2 4.09Å; F2-I118 HydrophobicContact CG-CD1 3.45Å; F2-I118 VanDerWaalsContact CG-CD1 3.45Å; F2-I118 HydrophobicContact CZ-CG2 3.87Å; F15-I118 HydrophobicContact CE1-CD1 3.71Å; F15-I118 HydrophobicContact CE1-CG1 4.09Å; F15-I118 HydrophobicContact CZ-CD1 3.65Å; F15-I118 HydrophobicContact CZ-CG1 4.47Å; Q22-I118 WeakPolarHBondContact CA-O 3.45Å; F23-I118 HydrophobicContact CB-CB 4.42Å; F23-I118 PolarHBondContact N-O 3.2Å; F23-I118 PolarHBondContact O-N 2.86Å; V38-I118 HydrophobicContact CG1-CD1 3.78Å; G53-I118 CarbonylContact O-C 3.51Å; G53-I118 VanDerWaalsContact O-CA 3.28Å; G53-I118 WeakPolarHBondContact O-CA 3.49Å; V54-I118 HydrophobicContact CG2-CG1 4.49Å; I116-I118 HydrophobicContact CG2-CG1 4.3Å
119S93Very high78.6Confident13 Ų1356.1 Ų56.19%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-112.6122.4174.9-171.80000109.6S21 G52 G53S21-S119 CarbonylContact O-C 3.57Å; S21-S119 WeakPolarHBondContact O-CA 3.38Å; G52-S119 CarbonylContact C-O 3.59Å; G52-S119 WeakPolarHBondContact CA-O 3.41Å; G53-S119 PolarHBondContact N-O 3.2Å; G53-S119 PolarHBondContact O-N 2.75Å
120V93.4Very high78.5Confident24 Ų2453.2 Ų53.215%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-88.8121.6177.3-174.30000109.1F2 S21 F23 F46 M50 G51F2-V120 HydrophobicContact CZ-CG2 4.01Å; S21-V120 WeakPolarHBondContact CB-O 3.49Å; S21-V120 PolarHBondContact O-N 2.79Å; F23-V120 HydrophobicContact CD2-CG2 4.4Å; F23-V120 HydrophobicContact CE2-CG2 3.87Å; F46-V120 HydrophobicContact CD1-CG1 3.96Å; F46-V120 HydrophobicContact CD1-CG2 4.36Å; F46-V120 HydrophobicContact CE1-CG1 4.24Å; F46-V120 HydrophobicContact CE1-CG2 3.9Å; M50-V120 HydrophobicContact CB-CG1 4.38Å; M50-V120 HydrophobicContact SD-CG1 4.44Å; G51-V120 VanDerWaalsContact O-CA 3.3Å; G51-V120 WeakPolarHBondContact O-CA 3.11Å
121D92.9Very high78.4Confident61 Ų6158 Ų5833%0.32631%0.313SS..EExtended strand (participates in β ladder)trans-150.9172.4-179.6-154.8-19.8000109.8M50 G51 N125 L126M50-D121 CarbonylContact C-O 3.44Å; M50-D121 VanDerWaalsContact CA-O 3.28Å; M50-D121 WeakPolarHBondContact CA-O 3.28Å; M50-D121 WeakPolarHBondContact CB-O 3.25Å; G51-D121 PolarHBondContact N-O 3Å; G51-D121 PolarHBondContact O-N 3.09Å; D121-N125 PolarHBondContact OD1-ND2 3.25Å; D121-L126 HydrophobicContact CB-CD2 3.95Å; D121-L126 HydrophobicContact CB-CG 4.18Å
122L92.4Very high77.8Confident69 Ų6960.6 Ų60.636%0.36132%0.321SS..EExtended strand (participates in β ladder)trans-58.6138.6171.5-66.8171.9000110.3M50 T124 N125 L126M50-L122 HydrophobicContact CE-CD2 4.12Å; M50-L122 HydrophobicContact CG-CD2 4.09Å; L122-T124 PolarHBondContact O-N 3.33Å; L122-N125 PolarHBondContact O-N 2.79Å; L122-L126 PolarHBondContact O-N 2.75Å
123L88.5Confident77.2Confident66 Ų6663.5 Ų63.535%0.34633%0.333SS..THydrogen-bonded Turntrans-57.5-23.8179.4-67.2171.9000113.1N49 V71 T73N49-L123 WeakPolarHBondContact O-CG 3.25Å; N49-L123 PolarHBondContact O-N 2.78Å; V71-L123 HydrophobicContact CG1-CD2 4.36Å; T73-L123 HydrophobicContact CG2-CD2 3.53Å
124T87.9Confident76Confident121 Ų12166.5 Ų66.574%0.74235%0.351SS*.THydrogen-bonded Turntrans-74.2-26175.9540000113.7L122L122-T124 PolarHBondContact O-N 3.33Å
125N87.4Confident74.2Confident95 Ų9569.5 Ų69.551%0.50837%0.371SS..THydrogen-bonded Turntrans-91.6-26.8-178.2-64.6-12.2000111.8D121 L122D121-N125 PolarHBondContact OD1-ND2 3.25Å; L122-N125 PolarHBondContact O-N 2.79Å
126L85.2Confident72.4Confident10 Ų1071.9 Ų71.95%0.05238%0.382CS..SBendtrans-70.1136.9-179.2-67.8174.5000110.4V71 D121 L122 Q128V71-L126 HydrophobicContact CG1-CD1 3.7Å; V71-L126 HydrophobicContact CG2-CB 3.91Å; V71-L126 HydrophobicContact CG2-CD1 4.34Å; D121-L126 HydrophobicContact CB-CD2 3.95Å; D121-L126 HydrophobicContact CB-CG 4.18Å; L122-L126 PolarHBondContact O-N 2.75Å; L126-Q128 PolarHBondContact O-N 2.82Å; L126-Q128 VanDerWaalsContact O-N 3.08Å
127P78.9Confident70.4Confident48 Ų4874.4 Ų74.431%0.31240%0.399SS..  trans-58.5120.9174.4-17.528.3000108.8F68 V71 Q129F68-P127 HydrophobicContact CD1-CB 3.95Å; F68-P127 HydrophobicContact CD1-CG 4.29Å; F68-P127 HydrophobicContact CD2-CG 4.22Å; F68-P127 HydrophobicContact CE1-CB 3.65Å; F68-P127 HydrophobicContact CE1-CG 4.19Å; F68-P127 VanDerWaalsContact CE1-O 3.3Å; F68-P127 WeakPolarHBondContact CE1-O 3.38Å; F68-P127 HydrophobicContact CE2-CB 4.41Å; F68-P127 HydrophobicContact CE2-CG 4.1Å; F68-P127 HydrophobicContact CG-CB 4.44Å; F68-P127 HydrophobicContact CG-CG 4.28Å; F68-P127 HydrophobicContact CZ-CB 3.88Å; F68-P127 HydrophobicContact CZ-CG 4.05Å; F68-P127 WeakPolarHBondContact CZ-O 3.26Å; V71-P127 WeakPolarHBondContact CG2-O 3.34Å; P127-Q129 PolarHBondContact O-N 3.38Å; P127-Q129 VanDerWaalsContact O-N 3.12Å
128Q66.3Low68.6Low169 Ų16978.1 Ų78.179%0.7942%0.422SS*.  trans-70.5113.8169.9-69.6-170-15.300106.5L126 T130L126-Q128 PolarHBondContact O-N 2.82Å; L126-Q128 VanDerWaalsContact O-N 3.08Å; Q128-T130 PolarHBondContact O-N 2.96Å
129Q57.8Low67.5Low108 Ų10882.2 Ų82.251%0.50544%0.444SS..  trans-66.390.3163.5-161.4-178.64.700105.3F68 L69 G70 P127 E131F68-Q129 HydrophobicContact CE1-CB 4.32Å; L69-Q129 PolarHBondContact O-NE2 2.95Å; L69-Q129 VanDerWaalsContact O-NE2 3.1Å; L69-Q129 PolarHBondContact O-OE1 3.02Å; G70-Q129 VanDerWaalsContact CA-OE1 3.24Å; P127-Q129 PolarHBondContact O-N 3.38Å; P127-Q129 VanDerWaalsContact O-N 3.12Å; Q129-E131 PolarHBondContact O-N 3.02Å
130T47Very low66.5Low102 Ų10286.9 Ų86.963%0.62646%0.463SS*.  trans-45.2127.2153.2-53.10000104Q128 E132Q128-T130 PolarHBondContact O-N 2.96Å; T130-E132 PolarHBondContact O-N 2.85Å
131E46.3Very low65.7Low169 Ų16991.4 Ų91.479%0.7948%0.484SS*.  trans-57.683.3171-66.5-179.4157.300106.7Q129 I133Q129-E131 PolarHBondContact O-N 3.02Å; E131-I133 PolarHBondContact O-N 3Å
132E42.9Very low65.1Low117 Ų11791.1 Ų91.155%0.54748%0.484SS..  trans-72.886.3174.6-77.3-169.7178.100103.6T130 T134T130-E132 PolarHBondContact O-N 2.85Å; E132-T134 WeakPolarHBondContact O-CA 3.37Å; E132-T134 PolarHBondContact O-N 3.23Å
133I43.5Very low64.7Low134 Ų13492.2 Ų92.269%0.68749%0.487SS*.  trans-27.598.9136.3-58.2169.3000104.5E131 P135 S137E131-I133 PolarHBondContact O-N 3Å; I133-P135 VanDerWaalsContact O-N 3.1Å; I133-S137 VanDerWaalsContact CG2-OG 3.31Å; I133-S137 WeakPolarHBondContact CG2-OG 3.31Å
134T44.1Very low64.5Low82 Ų8292 Ų9250%0.50348%0.484SS..  trans-44.8124.5-164.8-52.20000107.7E132 E136 S137E132-T134 WeakPolarHBondContact O-CA 3.37Å; E132-T134 PolarHBondContact O-N 3.23Å; T134-E136 HydrophobicContact CG2-CB 3.94Å; T134-E136 HydrophobicContact CG2-CG 4.35Å; T134-E136 PolarHBondContact O-N 2.75Å; T134-S137 WeakPolarHBondContact O-CB 3.38Å; T134-S137 PolarHBondContact O-N 2.75Å; T134-S137 PolarHBondContact O-OG 2.63Å
135P46.3Very low64.3Low65 Ų6590 Ų9042%0.42247%0.471SS..Hα-helixtrans-56.7-18.6-177.416.4-28.7000112.4I133 S137 T138 D139I133-P135 VanDerWaalsContact O-N 3.1Å; P135-S137 VanDerWaalsContact C-N 3.33Å; P135-S137 PolarHBondContact O-N 2.8Å; P135-T138 CarbonylContact O-C 3.59Å; P135-T138 WeakPolarHBondContact O-CB 3.49Å; P135-T138 PolarHBondContact O-N 2.79Å; P135-D139 PolarHBondContact O-N 2.91Å
136E49Very low64.3Low56 Ų5692.9 Ų92.926%0.26248%0.475SS..Hα-helixtrans-61-34.1167.7-77.5-167.8-18000114.4K85 T134 T138 D139 K140K85-E136 IonicContact NZ-OE1 2.68Å; K85-E136 PolarHBondContact NZ-OE1 2.82Å; K85-E136 IonicContact NZ-OE2 3.75Å; K85-E136 PolarHBondContact NZ-OE2 2.64Å; T134-E136 HydrophobicContact CG2-CB 3.94Å; T134-E136 HydrophobicContact CG2-CG 4.35Å; T134-E136 PolarHBondContact O-N 2.75Å; E136-T138 VanDerWaalsContact C-N 3.31Å; E136-D139 PolarHBondContact O-N 3.42Å; E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.42Å; E136-K140 WeakPolarHBondContact O-CG 3.21Å; E136-K140 PolarHBondContact O-N 3.2Å; E136-K140 IonicContact OE2-NZ 2.8Å
137S50.2Low64.4Low53 Ų5395.1 Ų95.137%0.37149%0.485SS..Hα-helixtrans-66.6-39.5174.463.20000110.2I133 T134 P135 M141I133-S137 VanDerWaalsContact CG2-OG 3.31Å; I133-S137 WeakPolarHBondContact CG2-OG 3.31Å; T134-S137 WeakPolarHBondContact O-CB 3.38Å; T134-S137 PolarHBondContact O-N 2.75Å; T134-S137 PolarHBondContact O-OG 2.63Å; P135-S137 VanDerWaalsContact C-N 3.33Å; P135-S137 PolarHBondContact O-N 2.8Å; S137-M141 WeakPolarHBondContact O-CB 3.29Å; S137-M141 PolarHBondContact O-N 3.44Å
138T54.7Low64.9Low79 Ų7994 Ų9449%0.48548%0.48SS..Hα-helixtrans-62.9-44.9171.6-47.50000111.4P135 E136 M141 T142P135-T138 CarbonylContact O-C 3.59Å; P135-T138 WeakPolarHBondContact O-CB 3.49Å; P135-T138 PolarHBondContact O-N 2.79Å; E136-T138 VanDerWaalsContact C-N 3.31Å; T138-M141 PolarHBondContact O-N 3.21Å; T138-T142 WeakPolarHBondContact O-CB 3.21Å; T138-T142 PolarHBondContact O-N 2.84Å; T138-T142 PolarHBondContact O-OG1 3.04Å
139D68.9Low66Low86 Ų8688.8 Ų88.846%0.4647%0.465SS..Hα-helixtrans-64.9-47.5179-174.727.8000111.3P135 E136 M141 T142 Q143P135-D139 PolarHBondContact O-N 2.91Å; E136-D139 PolarHBondContact O-N 3.42Å; D139-M141 PolarHBondContact O-N 2.96Å; D139-T142 PolarHBondContact O-N 3.42Å; D139-Q143 WeakPolarHBondContact O-CB 3.1Å; D139-Q143 VanDerWaalsContact O-CG 3.27Å; D139-Q143 WeakPolarHBondContact O-CG 3.27Å; D139-Q143 PolarHBondContact O-N 2.83Å; D139-Q143 PolarHBondContact OD1-NE2 3.42Å; D139-Q143 PolarHBondContact OD2-NE2 3.39Å
140K72.7Confident67.5Low110 Ų11089.1 Ų89.148%0.47847%0.467SS..Hα-helixtrans-61.5-43.2175.6-73.1174.1-173174.20112.3E136 T142 Q143 F144E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.42Å; E136-K140 WeakPolarHBondContact O-CG 3.21Å; E136-K140 PolarHBondContact O-N 3.2Å; E136-K140 IonicContact OE2-NZ 2.8Å; K140-T142 VanDerWaalsContact C-N 3.33Å; K140-Q143 PolarHBondContact O-N 2.89Å; K140-F144 WeakPolarHBondContact O-CB 3.33Å; K140-F144 PolarHBondContact O-N 3.35Å
141M77.2Confident69.6Low120 Ų12085.7 Ų85.759%0.59145%0.447SS*.Hα-helixtrans-64.2-42.4177.4-170.665.2167.500110.1S137 T138 D139 F144 T145S137-M141 WeakPolarHBondContact O-CB 3.29Å; S137-M141 PolarHBondContact O-N 3.44Å; T138-M141 PolarHBondContact O-N 3.21Å; D139-M141 PolarHBondContact O-N 2.96Å; M141-F144 PolarHBondContact O-N 2.8Å; M141-T145 WeakPolarHBondContact O-CB 3.43Å; M141-T145 PolarHBondContact O-N 2.91Å; M141-T145 PolarHBondContact O-OG1 3.23Å
142T80.9Confident71.8Confident54 Ų5480.5 Ų80.533%0.33142%0.424SS..Hα-helixtrans-65.5-42.7178-56.50000111.8T138 D139 K140 T145 R146T138-T142 WeakPolarHBondContact O-CB 3.21Å; T138-T142 PolarHBondContact O-N 2.84Å; T138-T142 PolarHBondContact O-OG1 3.04Å; D139-T142 PolarHBondContact O-N 3.42Å; K140-T142 VanDerWaalsContact C-N 3.33Å; T142-T145 PolarHBondContact O-N 3.46Å; T142-R146 VanDerWaalsContact CG2-NH1 3.33Å; T142-R146 PolarHBondContact O-N 3.5Å
143Q82.5Confident74Confident92 Ų9281.6 Ų81.643%0.4343%0.427SS..Hα-helixtrans-62.4-45.6174.9-73.5174.620.900111.1D139 K140 R146 F147 W193D139-Q143 WeakPolarHBondContact O-CB 3.1Å; D139-Q143 VanDerWaalsContact O-CG 3.27Å; D139-Q143 WeakPolarHBondContact O-CG 3.27Å; D139-Q143 PolarHBondContact O-N 2.83Å; D139-Q143 PolarHBondContact OD1-NE2 3.42Å; D139-Q143 PolarHBondContact OD2-NE2 3.39Å; K140-Q143 PolarHBondContact O-N 2.89Å; Q143-R146 PolarHBondContact O-N 3.48Å; Q143-F147 WeakPolarHBondContact O-CB 3.42Å; Q143-F147 PolarHBondContact O-N 2.8Å; Q143-W193 HydrophobicContact CB-CZ3 4.17Å
144F84.8Confident76.2Confident61 Ų6180.1 Ų80.127%0.26842%0.421SS..Hα-helixtrans-63.1-43.8175.7177.7-106000112K140 M141 R146 F147 A148 W193K140-F144 WeakPolarHBondContact O-CB 3.33Å; K140-F144 PolarHBondContact O-N 3.35Å; M141-F144 PolarHBondContact O-N 2.8Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.36Å; F144-F147 PolarHBondContact O-N 2.93Å; F144-A148 VanDerWaalsContact O-CB 3.3Å; F144-A148 WeakPolarHBondContact O-CB 3.34Å; F144-A148 PolarHBondContact O-N 2.9Å; F144-W193 HydrophobicContact CB-CD2 4.42Å; F144-W193 HydrophobicContact CB-CE3 4.39Å; F144-W193 HydrophobicContact CB-CH2 4.08Å; F144-W193 HydrophobicContact CB-CZ2 4.11Å; F144-W193 HydrophobicContact CB-CZ3 4.23Å; F144-W193 HydrophobicContact CD2-CB 4.33Å; F144-W193 AromaticContact CD2-CD1 3.64Å; F144-W193 AromaticContact CD2-CD2 3.64Å; F144-W193 HydrophobicContact CD2-CD2 3.64Å; F144-W193 AromaticContact CD2-CE2 3.67Å; F144-W193 HydrophobicContact CD2-CE3 4.29Å; F144-W193 AromaticContact CD2-CG 3.63Å; F144-W193 HydrophobicContact CD2-CG 3.63Å; F144-W193 HydrophobicContact CD2-CZ2 4.33Å; F144-W193 AromaticContact CD2-NE1 3.68Å; F144-W193 HydrophobicContact CE2-CB 4.49Å; F144-W193 AromaticContact CE2-CD1 3.76Å; F144-W193 HydrophobicContact CE2-CD2 4.47Å; F144-W193 HydrophobicContact CE2-CG 4.02Å
145T84.4Confident78.4Confident79 Ų7979.5 Ų79.549%0.48541%0.41SS..Hα-helixtrans-60.7-42.8176.7-58.50000111.3M141 T142 A148 A149M141-T145 WeakPolarHBondContact O-CB 3.43Å; M141-T145 PolarHBondContact O-N 2.91Å; M141-T145 PolarHBondContact O-OG1 3.23Å; T142-T145 PolarHBondContact O-N 3.46Å; T145-A148 PolarHBondContact O-N 3Å; T145-A149 WeakPolarHBondContact O-CB 3.3Å; T145-A149 PolarHBondContact O-N 3.45Å
146R86.4Confident80.5Confident156 Ų15677.6 Ų77.659%0.58940%0.397SS*.Hα-helixtrans-61.3-51.8173.7-82.9-165.5178.493.22.4112T142 Q143 F144 A148 A149 E150T142-R146 VanDerWaalsContact CG2-NH1 3.33Å; T142-R146 PolarHBondContact O-N 3.5Å; Q143-R146 PolarHBondContact O-N 3.48Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.36Å; R146-A148 VanDerWaalsContact C-N 3.3Å; R146-A148 PolarHBondContact O-N 2.83Å; R146-A149 PolarHBondContact O-N 3.17Å; R146-E150 WeakPolarHBondContact O-CB 3.42Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 3.46Å
147F88.5Confident82.2Confident58 Ų5877 Ų7725%0.25440%0.402SS..Hα-helixtrans-54.8-47.1177.5167.4-91.1000111.8Q143 F144 A149 E150 S151 F192 W193Q143-F147 WeakPolarHBondContact O-CB 3.42Å; Q143-F147 PolarHBondContact O-N 2.8Å; F144-F147 PolarHBondContact O-N 2.93Å; F147-A149 PolarHBondContact O-N 2.87Å; F147-E150 PolarHBondContact O-N 3.34Å; F147-S151 WeakPolarHBondContact O-CB 3.49Å; F147-S151 PolarHBondContact O-N 3.1Å; F147-F192 AromaticContact CE1-CE2 3.86Å; F147-F192 HydrophobicContact CE1-CE2 3.86Å; F147-F192 HydrophobicContact CE1-CZ 4.19Å; F147-F192 AromaticContact CZ-CE2 3.86Å; F147-F192 HydrophobicContact CZ-CE2 3.86Å; F147-W193 HydrophobicContact CD1-CB 3.41Å; F147-W193 VanDerWaalsContact CD1-CB 3.41Å; F147-W193 HydrophobicContact CD1-CG 4.39Å; F147-W193 HydrophobicContact CD2-CB 4.23Å; F147-W193 HydrophobicContact CE1-CB 3.31Å; F147-W193 HydrophobicContact CE2-CB 4.13Å; F147-W193 HydrophobicContact CG-CB 3.89Å; F147-W193 HydrophobicContact CZ-CB 3.69Å
148A89.1Confident83.9Confident24 Ų2478.6 Ų78.620%0.19841%0.413CS..Hα-helixtrans-64.2-42.9-178.400000111.4F144 T145 R146 L152F144-A148 VanDerWaalsContact O-CB 3.3Å; F144-A148 WeakPolarHBondContact O-CB 3.34Å; F144-A148 PolarHBondContact O-N 2.9Å; T145-A148 PolarHBondContact O-N 3Å; R146-A148 VanDerWaalsContact C-N 3.3Å; R146-A148 PolarHBondContact O-N 2.83Å; A148-L152 WeakPolarHBondContact O-CB 3.34Å; A148-L152 PolarHBondContact O-N 3.32Å
149A88.6Confident85.4Confident59 Ų5978.3 Ų78.349%0.48841%0.405SS..Hα-helixtrans-64.2-48.4176.600000111.9T145 R146 F147 L152 F153T145-A149 WeakPolarHBondContact O-CB 3.3Å; T145-A149 PolarHBondContact O-N 3.45Å; R146-A149 PolarHBondContact O-N 3.17Å; F147-A149 PolarHBondContact O-N 2.87Å; A149-L152 PolarHBondContact O-N 3.04Å; A149-F153 VanDerWaalsContact O-CB 3.29Å; A149-F153 WeakPolarHBondContact O-CB 3.23Å; A149-F153 PolarHBondContact O-N 3.42Å
150E89.8Confident85.9Confident116 Ų11675.9 Ų75.954%0.54240%0.397SS..Hα-helixtrans-63.2-42.8177.8-73.8176-167.900111.8R146 F147 F153 N154R146-E150 WeakPolarHBondContact O-CB 3.42Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 3.46Å; F147-E150 PolarHBondContact O-N 3.34Å; E150-F153 PolarHBondContact O-N 3.28Å; E150-N154 VanDerWaalsContact O-CB 3.3Å; E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.41Å; E150-N154 PolarHBondContact O-ND2 2.67Å; E150-N154 VanDerWaalsContact O-ND2 3.11Å
151S90.7Very high85.9Confident30 Ų3080 Ų8021%0.2141%0.41CS..Hα-helixtrans-64.1-44.8178.6-176.50000111.9F147 Y155 W178 M182F147-S151 WeakPolarHBondContact O-CB 3.49Å; F147-S151 PolarHBondContact O-N 3.1Å; S151-Y155 VanDerWaalsContact O-CB 3.25Å; S151-Y155 WeakPolarHBondContact O-CB 3.29Å; S151-Y155 PolarHBondContact O-N 2.87Å; S151-W178 PolarHBondContact O-NE1 3.29Å; S151-W178 PolarHBondContact OG-NE1 3.2Å; S151-W178 VanDerWaalsContact OG-NE1 3.15Å; S151-M182 WeakPolarHBondContact OG-CE 3.39Å
152L92.4Very high85.3Confident59 Ų5982 Ų8231%0.30942%0.422SS..Hα-helixtrans-62.8-47.9176.1176.961.7000110.6A148 A149 Y155 V156 W178A148-L152 WeakPolarHBondContact O-CB 3.34Å; A148-L152 PolarHBondContact O-N 3.32Å; A149-L152 PolarHBondContact O-N 3.04Å; L152-Y155 PolarHBondContact O-N 3.07Å; L152-V156 HydrophobicContact CD1-CG2 3.81Å; L152-V156 HydrophobicContact CG-CG2 4.43Å; L152-V156 VanDerWaalsContact O-CB 3.3Å; L152-V156 WeakPolarHBondContact O-CB 3.3Å; L152-V156 WeakPolarHBondContact O-CG2 3.01Å; L152-V156 PolarHBondContact O-N 2.82Å; L152-W178 HydrophobicContact CB-CD2 4.33Å; L152-W178 HydrophobicContact CB-CH2 3.95Å; L152-W178 HydrophobicContact CB-CZ2 3.73Å; L152-W178 HydrophobicContact CB-CZ3 4.34Å; L152-W178 HydrophobicContact CD1-CD2 3.74Å; L152-W178 HydrophobicContact CD1-CE3 3.66Å; L152-W178 HydrophobicContact CD1-CG 4.17Å; L152-W178 HydrophobicContact CD1-CZ3 4.07Å
153F89.6Confident84.4Confident140 Ų14082.9 Ų82.961%0.61443%0.425SS*.Hα-helixtrans-58.5-53-179.9179.2-97.1000111.4A149 E150 Y155 V156 A157A149-F153 VanDerWaalsContact O-CB 3.29Å; A149-F153 WeakPolarHBondContact O-CB 3.23Å; A149-F153 PolarHBondContact O-N 3.42Å; E150-F153 PolarHBondContact O-N 3.28Å; F153-Y155 VanDerWaalsContact C-N 3.31Å; F153-Y155 PolarHBondContact O-N 2.99Å; F153-V156 PolarHBondContact O-N 2.87Å; F153-A157 HydrophobicContact CE1-CB 4.46Å; F153-A157 WeakPolarHBondContact O-CB 3.17Å; F153-A157 PolarHBondContact O-N 3.4Å
154N90Very high83.6Confident104 Ų10485.1 Ų85.156%0.55645%0.451SS*.Hα-helixtrans-62.3-39.1-179.1-71-31000112E150 S158E150-N154 VanDerWaalsContact O-CB 3.3Å; E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.41Å; E150-N154 PolarHBondContact O-ND2 2.67Å; E150-N154 VanDerWaalsContact O-ND2 3.11Å; N154-S158 PolarHBondContact O-N 2.85Å
155Y90.8Very high82.8Confident68 Ų6886 Ų8627%0.26746%0.462SS..Hα-helixtrans-64.8-50.8177-170.7-91.8000111.1S151 L152 F153 S158 F159 A174 W178S151-Y155 VanDerWaalsContact O-CB 3.25Å; S151-Y155 WeakPolarHBondContact O-CB 3.29Å; S151-Y155 PolarHBondContact O-N 2.87Å; L152-Y155 PolarHBondContact O-N 3.07Å; F153-Y155 VanDerWaalsContact C-N 3.31Å; F153-Y155 PolarHBondContact O-N 2.99Å; Y155-S158 WeakPolarHBondContact O-CB 3.29Å; Y155-S158 PolarHBondContact O-N 2.91Å; Y155-S158 PolarHBondContact O-OG 2.81Å; Y155-F159 HydrophobicContact CD1-CD2 4.25Å; Y155-F159 AromaticContact CD1-CE2 3.76Å; Y155-F159 HydrophobicContact CD1-CE2 3.76Å; Y155-F159 HydrophobicContact CE1-CD2 4.17Å; Y155-F159 AromaticContact CE1-CE2 3.39Å; Y155-F159 HydrophobicContact CE1-CE2 3.39Å; Y155-F159 HydrophobicContact CE1-CZ 4.14Å; Y155-F159 HydrophobicContact CE2-CE2 4.21Å; Y155-F159 HydrophobicContact CG-CE2 4.33Å; Y155-F159 AromaticContact CZ-CE2 3.66Å; Y155-F159 WeakPolarHBondContact O-CD2 3.45Å; Y155-F159 WeakPolarHBondContact O-CE2 3.49Å; Y155-A174 HydrophobicContact CE1-CB 4.33Å; Y155-A174 VanDerWaalsContact CE1-O 3.24Å; Y155-A174 WeakPolarHBondContact CE1-O 3.36Å; Y155-W178 HydrophobicContact CD1-CB 3.6Å; Y155-W178 HydrophobicContact CD1-CG 4.14Å; Y155-W178 HydrophobicContact CE1-CB 3.76Å; Y155-W178 HydrophobicContact CG-CB 4.1Å; Y155-W178 AromaticContact CG-CD1 3.6Å; Y155-W178 HydrophobicContact CG-CG 4.19Å
156V88.4Confident82.1Confident26 Ų2688.6 Ų88.616%0.15848%0.483CS..Hα-helixtrans-64.8-43-179.4161.10000111.9L152 F153 S158 F159 A160 V170 I175L152-V156 HydrophobicContact CD1-CG2 3.81Å; L152-V156 HydrophobicContact CG-CG2 4.43Å; L152-V156 VanDerWaalsContact O-CB 3.3Å; L152-V156 WeakPolarHBondContact O-CB 3.3Å; L152-V156 WeakPolarHBondContact O-CG2 3.01Å; L152-V156 PolarHBondContact O-N 2.82Å; F153-V156 PolarHBondContact O-N 2.87Å; V156-S158 PolarHBondContact O-N 3.44Å; V156-F159 PolarHBondContact O-N 3.11Å; V156-A160 PolarHBondContact O-N 3.46Å; V156-V170 HydrophobicContact CB-CG1 4.35Å; V156-V170 HydrophobicContact CG1-CB 3.97Å; V156-V170 HydrophobicContact CG1-CG1 3.4Å; V156-V170 VanDerWaalsContact CG1-CG1 3.4Å; V156-V170 HydrophobicContact CG1-CG2 3.45Å; V156-V170 VanDerWaalsContact CG1-CG2 3.45Å; V156-V170 HydrophobicContact CG2-CG1 4.41Å; V156-I175 HydrophobicContact CG2-CG1 3.7Å
157A86.7Confident81.5Confident43 Ų4386.7 Ų86.736%0.35548%0.484SS..Hα-helixtrans-60.5-29177.400000112.3F153 F159 A160F153-A157 HydrophobicContact CE1-CB 4.46Å; F153-A157 WeakPolarHBondContact O-CB 3.17Å; F153-A157 PolarHBondContact O-N 3.4Å; A157-F159 PolarHBondContact O-N 3.27Å; A157-A160 VanDerWaalsContact O-CB 3.28Å; A157-A160 WeakPolarHBondContact O-CB 3.5Å; A157-A160 PolarHBondContact O-N 3.33Å
158S85.6Confident81Confident86 Ų8686.7 Ų86.760%0.60149%0.49SS*.THydrogen-bonded Turntrans-67-20.4174.278.70000114.3N154 Y155 V156N154-S158 PolarHBondContact O-N 2.85Å; Y155-S158 WeakPolarHBondContact O-CB 3.29Å; Y155-S158 PolarHBondContact O-N 2.91Å; Y155-S158 PolarHBondContact O-OG 2.81Å; V156-S158 PolarHBondContact O-N 3.44Å
159F85.1Confident80.6Confident73 Ų7390.6 Ų90.632%0.3251%0.507SS..THydrogen-bonded Turntrans-101.5-9.1176-62.2-83000112.9Y155 V156 A157 R161 P171 A174Y155-F159 HydrophobicContact CD1-CD2 4.25Å; Y155-F159 AromaticContact CD1-CE2 3.76Å; Y155-F159 HydrophobicContact CD1-CE2 3.76Å; Y155-F159 HydrophobicContact CE1-CD2 4.17Å; Y155-F159 AromaticContact CE1-CE2 3.39Å; Y155-F159 HydrophobicContact CE1-CE2 3.39Å; Y155-F159 HydrophobicContact CE1-CZ 4.14Å; Y155-F159 HydrophobicContact CE2-CE2 4.21Å; Y155-F159 HydrophobicContact CG-CE2 4.33Å; Y155-F159 AromaticContact CZ-CE2 3.66Å; Y155-F159 WeakPolarHBondContact O-CD2 3.45Å; Y155-F159 WeakPolarHBondContact O-CE2 3.49Å; V156-F159 PolarHBondContact O-N 3.11Å; A157-F159 PolarHBondContact O-N 3.27Å; F159-R161 PolarHBondContact O-N 3.49Å; F159-R161 VanDerWaalsContact O-N 3.13Å; F159-P171 HydrophobicContact CB-CG 4.22Å; F159-A174 HydrophobicContact CB-CB 4.22Å; F159-A174 HydrophobicContact CD1-CB 4.5Å; F159-A174 HydrophobicContact CD2-CB 3.58Å; F159-A174 HydrophobicContact CE2-CB 4.07Å; F159-A174 HydrophobicContact CG-CB 3.84Å
160A80.8Confident80.4Confident35 Ų3590.4 Ų90.429%0.28950%0.5SS..  trans-60115.5174.900000108.3V156 A157 P168 V170V156-A160 PolarHBondContact O-N 3.46Å; A157-A160 VanDerWaalsContact O-CB 3.28Å; A157-A160 WeakPolarHBondContact O-CB 3.5Å; A157-A160 PolarHBondContact O-N 3.33Å; A160-P168 HydrophobicContact CB-CB 3.97Å; A160-P168 HydrophobicContact CB-CG 4.47Å; A160-V170 HydrophobicContact CB-CG2 4.25Å
161R71.5Confident80.1Confident198 Ų19887.7 Ų87.775%0.74749%0.492SS*.BIsolated β-bridgetrans-93.8135172-73.4-179.6176.8173-2108.3F159 N163F159-R161 PolarHBondContact O-N 3.49Å; F159-R161 VanDerWaalsContact O-N 3.13Å; R161-N163 PolarHBondContact O-N 2.97Å
162D65.3Low79.9Confident160 Ų16092.9 Ų92.986%0.85652%0.515SS*.  trans-61.7108.4164.4-80.2-26.5000108.2
163N61Low79.8Confident74 Ų7493.3 Ų93.340%0.39652%0.523SS..  trans-89.6160159.7-78.6-25.1000108R161 T165R161-N163 PolarHBondContact O-N 2.97Å; N163-T165 PolarHBondContact O-N 2.94Å
164S67.1Low79.7Confident138 Ų13886.8 Ų86.897%0.96549%0.494SS*.SBendtrans-61.9-10.5173.550.70000113.5
165T67.5Low79.8Confident81 Ų8184.7 Ų84.750%0.49748%0.483SS..SBendtrans-86.6143.317053.70000110.3N163 D167N163-T165 PolarHBondContact O-N 2.94Å; T165-D167 PolarHBondContact O-N 3.49Å
166S70.3Confident79.9Confident133 Ų13387.4 Ų87.493%0.9350%0.496SS*.SBendtrans-61-5.2-177.558.40000116
167D73.8Confident80.1Confident116 Ų11693.5 Ų93.562%0.6252%0.516SS*.SBendtrans-115.5112.4-179.3-162.48.8000109.5T165 L169T165-D167 PolarHBondContact O-N 3.49Å; D167-L169 PolarHBondContact O-N 3.27Å
168P76.7Confident80.5Confident58 Ų5893.1 Ų93.138%0.37751%0.506SS..  trans-69.4129.9-178.927.1-33000110.9A160A160-P168 HydrophobicContact CB-CB 3.97Å; A160-P168 HydrophobicContact CB-CG 4.47Å
169L80.9Confident80.8Confident106 Ų10694.1 Ų94.156%0.55550%0.499SS*.BIsolated β-bridgetrans-83.7132.5178.9-92.171.6000111D167D167-L169 PolarHBondContact O-N 3.27Å
170V83.8Confident81.3Confident54 Ų5493.9 Ų93.933%0.32750%0.501SS..  trans-110.2130.1176.9173.90000109.8V156 A160 M172V156-V170 HydrophobicContact CB-CG1 4.35Å; V156-V170 HydrophobicContact CG1-CB 3.97Å; V156-V170 HydrophobicContact CG1-CG1 3.4Å; V156-V170 VanDerWaalsContact CG1-CG1 3.4Å; V156-V170 HydrophobicContact CG1-CG2 3.45Å; V156-V170 VanDerWaalsContact CG1-CG2 3.45Å; V156-V170 HydrophobicContact CG2-CG1 4.41Å; A160-V170 HydrophobicContact CB-CG2 4.25Å; V170-M172 PolarHBondContact O-N 3.37Å
171P84.6Confident81.8Confident59 Ų5994.9 Ų94.938%0.38350%0.504SS..  trans-71.3130.1173.329.1-32.7000111.2F159 S173 A174F159-P171 HydrophobicContact CB-CG 4.22Å; P171-S173 PolarHBondContact O-N 2.91Å; P171-A174 HydrophobicContact CG-CB 4.22Å; P171-A174 VanDerWaalsContact O-CB 3.32Å; P171-A174 WeakPolarHBondContact O-CB 3.39Å; P171-A174 PolarHBondContact O-N 3.18Å
172M86.2Confident82.7Confident139 Ų13986.6 Ų86.669%0.68547%0.474SS*.Hα-helixtrans-56.6-26.7177.4-170.862.1-17300113.2V170 A174 I175 K176V170-M172 PolarHBondContact O-N 3.37Å; M172-A174 PolarHBondContact O-N 3.32Å; M172-I175 PolarHBondContact O-N 3.36Å; M172-I175 HydrophobicContact SD-CB 4.39Å; M172-I175 HydrophobicContact SD-CD1 3.96Å; M172-K176 PolarHBondContact O-N 3.24Å; M172-K176 VanDerWaalsContact O-N 3.13Å
173S90.1Very high83.9Confident69 Ų6983.3 Ų83.348%0.48346%0.456SS..Hα-helixtrans-62.4-28.1175.458.80000113.1P171 R177P171-S173 PolarHBondContact O-N 2.91Å; S173-R177 VanDerWaalsContact O-CG 3.29Å; S173-R177 WeakPolarHBondContact O-CG 3.3Å; S173-R177 PolarHBondContact O-N 2.93Å; S173-R177 VanDerWaalsContact O-N 3.07Å
174A88.7Confident85.4Confident2 Ų285.7 Ų85.72%0.01746%0.464CS..Hα-helixtrans-65.9-48.6173.700000110.8Y155 F159 P171 M172 K176 R177 W178Y155-A174 HydrophobicContact CE1-CB 4.33Å; Y155-A174 VanDerWaalsContact CE1-O 3.24Å; Y155-A174 WeakPolarHBondContact CE1-O 3.36Å; F159-A174 HydrophobicContact CB-CB 4.22Å; F159-A174 HydrophobicContact CD1-CB 4.5Å; F159-A174 HydrophobicContact CD2-CB 3.58Å; F159-A174 HydrophobicContact CE2-CB 4.07Å; F159-A174 HydrophobicContact CG-CB 3.84Å; P171-A174 HydrophobicContact CG-CB 4.22Å; P171-A174 VanDerWaalsContact O-CB 3.32Å; P171-A174 WeakPolarHBondContact O-CB 3.39Å; P171-A174 PolarHBondContact O-N 3.18Å; M172-A174 PolarHBondContact O-N 3.32Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 2.86Å; A174-R177 PolarHBondContact O-N 2.95Å; A174-W178 PolarHBondContact O-N 2.9Å
175I91.6Very high86.5Confident61 Ų6183.7 Ų83.731%0.31344%0.439SS..Hα-helixtrans-59.1-44.5178.4-61173000110.5V156 M172 R177 W178 F179V156-I175 HydrophobicContact CG2-CG1 3.7Å; M172-I175 PolarHBondContact O-N 3.36Å; M172-I175 HydrophobicContact SD-CB 4.39Å; M172-I175 HydrophobicContact SD-CD1 3.96Å; I175-R177 PolarHBondContact O-N 2.9Å; I175-W178 PolarHBondContact O-N 3.15Å; I175-F179 WeakPolarHBondContact O-CB 3.46Å; I175-F179 PolarHBondContact O-N 3.48Å
176K92.5Very high87.5Confident124 Ų12484 Ų8454%0.53944%0.436SS..Hα-helixtrans-59.5-46176.8-173.3-178.1-176.5-60.40112.2M172 A174 W178 F179 D180M172-K176 PolarHBondContact O-N 3.24Å; M172-K176 VanDerWaalsContact O-N 3.13Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 2.86Å; K176-W178 VanDerWaalsContact C-N 3.34Å; K176-W178 PolarHBondContact O-N 3.33Å; K176-F179 WeakPolarHBondContact O-CB 3.43Å; K176-F179 PolarHBondContact O-N 3.2Å; K176-D180 IonicContact NZ-OD1 2.64Å; K176-D180 IonicContact NZ-OD2 3.79Å; K176-D180 PolarHBondContact NZ-OD2 3.47Å; K176-D180 VanDerWaalsContact O-CG 3.29Å; K176-D180 PolarHBondContact O-N 3.36Å
177R93.5Very high88.3Confident155 Ų15582.1 Ų82.159%0.58542%0.424SS*.Hα-helixtrans-62.8-41179.1-75.8175.2179.9-173.50.6112.2S173 A174 I175 T181S173-R177 VanDerWaalsContact O-CG 3.29Å; S173-R177 WeakPolarHBondContact O-CG 3.3Å; S173-R177 PolarHBondContact O-N 2.93Å; S173-R177 VanDerWaalsContact O-N 3.07Å; A174-R177 PolarHBondContact O-N 2.95Å; I175-R177 PolarHBondContact O-N 2.9Å; R177-T181 WeakPolarHBondContact O-CB 3.35Å; R177-T181 PolarHBondContact O-N 3.41Å; R177-T181 PolarHBondContact O-OG1 3.13Å
178W93.4Very high89Confident35 Ų3583.3 Ų83.313%0.13343%0.429CS..Hα-helixtrans-60.8-48.1174.6179.888.3000111S151 L152 Y155 A174 I175 K176 D180 T181 M182S151-W178 PolarHBondContact O-NE1 3.29Å; S151-W178 PolarHBondContact OG-NE1 3.2Å; S151-W178 VanDerWaalsContact OG-NE1 3.15Å; L152-W178 HydrophobicContact CB-CD2 4.33Å; L152-W178 HydrophobicContact CB-CH2 3.95Å; L152-W178 HydrophobicContact CB-CZ2 3.73Å; L152-W178 HydrophobicContact CB-CZ3 4.34Å; L152-W178 HydrophobicContact CD1-CD2 3.74Å; L152-W178 HydrophobicContact CD1-CE3 3.66Å; L152-W178 HydrophobicContact CD1-CG 4.17Å; L152-W178 HydrophobicContact CD1-CZ3 4.07Å; Y155-W178 HydrophobicContact CD1-CB 3.6Å; Y155-W178 HydrophobicContact CD1-CG 4.14Å; Y155-W178 HydrophobicContact CE1-CB 3.76Å; Y155-W178 HydrophobicContact CG-CB 4.1Å; Y155-W178 AromaticContact CG-CD1 3.6Å; Y155-W178 HydrophobicContact CG-CG 4.19Å; A174-W178 PolarHBondContact O-N 2.9Å; I175-W178 PolarHBondContact O-N 3.15Å; K176-W178 VanDerWaalsContact C-N 3.34Å; K176-W178 PolarHBondContact O-N 3.33Å; W178-D180 PolarHBondContact O-N 3.03Å; W178-T181 PolarHBondContact O-N 2.72Å; W178-M182 HydrophobicContact CD2-CG 3.87Å; W178-M182 HydrophobicContact CE3-CG 4.2Å; W178-M182 HydrophobicContact CG-CG 4.45Å; W178-M182 HydrophobicContact CH2-CG 4.05Å; W178-M182 HydrophobicContact CZ2-CE 3.85Å; W178-M182 HydrophobicContact CZ2-CG 3.69Å; W178-M182 HydrophobicContact CZ2-SD 4.45Å; W178-M182 HydrophobicContact CZ3-CG 4.29Å; W178-M182 WeakPolarHBondContact O-CG 3.32Å; W178-M182 PolarHBondContact O-N 3.46Å
179F93.1Very high89.4Confident106 Ų10682.8 Ų82.847%0.46542%0.423SS..Hα-helixtrans-58.3-49.9178.8176.8-97.6000112.2I175 K176 T181 M182 L183I175-F179 WeakPolarHBondContact O-CB 3.46Å; I175-F179 PolarHBondContact O-N 3.48Å; K176-F179 WeakPolarHBondContact O-CB 3.43Å; K176-F179 PolarHBondContact O-N 3.2Å; F179-T181 VanDerWaalsContact C-N 3.3Å; F179-T181 PolarHBondContact O-N 2.78Å; F179-M182 PolarHBondContact O-N 3.3Å; F179-L183 HydrophobicContact CD1-CD1 4.01Å; F179-L183 HydrophobicContact CD1-CG 4.47Å; F179-L183 HydrophobicContact CE1-CD1 3.31Å; F179-L183 HydrophobicContact CE1-CG 4.09Å; F179-L183 HydrophobicContact CE2-CD1 4.27Å; F179-L183 HydrophobicContact CE2-CG 4.35Å; F179-L183 HydrophobicContact CZ-CD1 3.47Å; F179-L183 VanDerWaalsContact CZ-CD1 3.47Å; F179-L183 HydrophobicContact CZ-CD2 4.44Å; F179-L183 HydrophobicContact CZ-CG 4.03Å; F179-L183 PolarHBondContact O-N 3.23Å
180D94.8Very high89.4Confident68 Ų6881.4 Ų81.436%0.36443%0.427SS..Hα-helixtrans-60-41.7178.3-67-29.4000111K176 W178 L183 Q184K176-D180 IonicContact NZ-OD1 2.64Å; K176-D180 IonicContact NZ-OD2 3.79Å; K176-D180 PolarHBondContact NZ-OD2 3.47Å; K176-D180 VanDerWaalsContact O-CG 3.29Å; K176-D180 PolarHBondContact O-N 3.36Å; W178-D180 PolarHBondContact O-N 3.03Å; D180-L183 PolarHBondContact O-N 2.68Å; D180-Q184 WeakPolarHBondContact O-CB 3.13Å; D180-Q184 PolarHBondContact O-N 3.47Å
181T91.7Very high89.3Confident56 Ų5681.3 Ų81.334%0.34443%0.429SS..Hα-helixtrans-64.8-41.3177.2-55.70000111.6R177 W178 F179 Q184 K185R177-T181 WeakPolarHBondContact O-CB 3.35Å; R177-T181 PolarHBondContact O-N 3.41Å; R177-T181 PolarHBondContact O-OG1 3.13Å; W178-T181 PolarHBondContact O-N 2.72Å; F179-T181 VanDerWaalsContact C-N 3.3Å; F179-T181 PolarHBondContact O-N 2.78Å; T181-Q184 PolarHBondContact O-N 2.93Å; T181-K185 HydrophobicContact CG2-CD 4.38Å; T181-K185 WeakPolarHBondContact O-CG 3.25Å; T181-K185 PolarHBondContact O-N 3.05Å
182M91Very high89.3Confident24 Ų2479.9 Ų79.912%0.11842%0.416CS..Hα-helixtrans-67.7-42.2178.7-73.7-55.917700111.8S151 W178 F179 Q184 K185 L186 F192S151-M182 WeakPolarHBondContact OG-CE 3.39Å; W178-M182 HydrophobicContact CD2-CG 3.87Å; W178-M182 HydrophobicContact CE3-CG 4.2Å; W178-M182 HydrophobicContact CG-CG 4.45Å; W178-M182 HydrophobicContact CH2-CG 4.05Å; W178-M182 HydrophobicContact CZ2-CE 3.85Å; W178-M182 HydrophobicContact CZ2-CG 3.69Å; W178-M182 HydrophobicContact CZ2-SD 4.45Å; W178-M182 HydrophobicContact CZ3-CG 4.29Å; W178-M182 WeakPolarHBondContact O-CG 3.32Å; W178-M182 PolarHBondContact O-N 3.46Å; F179-M182 PolarHBondContact O-N 3.3Å; M182-Q184 VanDerWaalsContact C-N 3.33Å; M182-Q184 PolarHBondContact O-N 3.36Å; M182-K185 PolarHBondContact O-N 3.23Å; M182-K185 HydrophobicContact SD-CD 4.41Å; M182-L186 VanDerWaalsContact O-CB 3.23Å; M182-L186 WeakPolarHBondContact O-CB 3.24Å; M182-L186 PolarHBondContact O-N 3.47Å; M182-F192 HydrophobicContact SD-CE2 3.69Å; M182-F192 HydrophobicContact SD-CZ 3.46Å; M182-F192 WeakPolarHBondContact SD-CZ 3.29Å
183L90.4Very high89.1Confident91 Ų9175.4 Ų75.448%0.47639%0.392SS..Hα-helixtrans-61.4-42.4173.7-74.1-174.4000111.9F179 D180 L186 S187F179-L183 HydrophobicContact CD1-CD1 4.01Å; F179-L183 HydrophobicContact CD1-CG 4.47Å; F179-L183 HydrophobicContact CE1-CD1 3.31Å; F179-L183 HydrophobicContact CE1-CG 4.09Å; F179-L183 HydrophobicContact CE2-CD1 4.27Å; F179-L183 HydrophobicContact CE2-CG 4.35Å; F179-L183 HydrophobicContact CZ-CD1 3.47Å; F179-L183 VanDerWaalsContact CZ-CD1 3.47Å; F179-L183 HydrophobicContact CZ-CD2 4.44Å; F179-L183 HydrophobicContact CZ-CG 4.03Å; F179-L183 PolarHBondContact O-N 3.23Å; D180-L183 PolarHBondContact O-N 2.68Å; L183-L186 PolarHBondContact O-N 3.31Å; L183-S187 WeakPolarHBondContact O-CB 3.37Å; L183-S187 PolarHBondContact O-N 3.07Å
184Q92.3Very high88.6Confident124 Ų12481.3 Ų81.358%0.57940%0.404SS*.Hα-helixtrans-61.2-48.2176.4-171.7179.711.800111.1D180 T181 M182 L186 S187 L188D180-Q184 WeakPolarHBondContact O-CB 3.13Å; D180-Q184 PolarHBondContact O-N 3.47Å; T181-Q184 PolarHBondContact O-N 2.93Å; M182-Q184 VanDerWaalsContact C-N 3.33Å; M182-Q184 PolarHBondContact O-N 3.36Å; Q184-L186 VanDerWaalsContact C-N 3.32Å; Q184-L186 PolarHBondContact O-N 2.99Å; Q184-S187 PolarHBondContact O-N 3.04Å; Q184-S187 PolarHBondContact O-OG 3Å; Q184-L188 HydrophobicContact CG-CD1 4.4Å; Q184-L188 WeakPolarHBondContact O-CG 3.47Å; Q184-L188 PolarHBondContact O-N 3.17Å
185K89.5Confident87.3Confident97 Ų9791.6 Ų91.642%0.42245%0.448SS..Hα-helixtrans-59.5-42.7176.5-74.8179.8175.8-172.30112.1T181 M182 S187 L188 D189 F192T181-K185 HydrophobicContact CG2-CD 4.38Å; T181-K185 WeakPolarHBondContact O-CG 3.25Å; T181-K185 PolarHBondContact O-N 3.05Å; M182-K185 PolarHBondContact O-N 3.23Å; M182-K185 HydrophobicContact SD-CD 4.41Å; K185-S187 VanDerWaalsContact C-N 3.32Å; K185-S187 PolarHBondContact O-N 3.45Å; K185-L188 PolarHBondContact O-N 3.47Å; K185-D189 PolarHBondContact O-N 3.13Å; K185-F192 HydrophobicContact CB-CD1 3.83Å; K185-F192 HydrophobicContact CB-CD2 4.18Å; K185-F192 HydrophobicContact CB-CE1 3.9Å; K185-F192 HydrophobicContact CB-CE2 4.25Å; K185-F192 HydrophobicContact CB-CG 3.99Å; K185-F192 HydrophobicContact CB-CZ 4.13Å; K185-F192 HydrophobicContact CD-CD2 3.96Å; K185-F192 HydrophobicContact CD-CE2 3.94Å; K185-F192 HydrophobicContact CD-CZ 4.49Å
186L87.6Confident87.1Confident86 Ų8693.2 Ų93.245%0.4546%0.455SS..Hα-helixtrans-67.8-32.6-178.9-158.2129.4000112.3M182 L183 Q184 F192M182-L186 VanDerWaalsContact O-CB 3.23Å; M182-L186 WeakPolarHBondContact O-CB 3.24Å; M182-L186 PolarHBondContact O-N 3.47Å; L183-L186 PolarHBondContact O-N 3.31Å; Q184-L186 VanDerWaalsContact C-N 3.32Å; Q184-L186 PolarHBondContact O-N 2.99Å; L186-F192 HydrophobicContact CB-CE1 4.2Å; L186-F192 HydrophobicContact CD1-CE1 4.28Å
187S87.4Confident86.8Confident95 Ų9591.5 Ų91.566%0.66445%0.45SS*.Hα-helixtrans-70.6-29.6173.674.20000113.5L183 Q184 K185L183-S187 WeakPolarHBondContact O-CB 3.37Å; L183-S187 PolarHBondContact O-N 3.07Å; Q184-S187 PolarHBondContact O-N 3.04Å; Q184-S187 PolarHBondContact O-OG 3Å; K185-S187 VanDerWaalsContact C-N 3.32Å; K185-S187 PolarHBondContact O-N 3.45Å
188L89.4Confident86.4Confident140 Ų14088 Ų8873%0.73344%0.443SS*.Hα-helixtrans-84.7-43.1179.1-68.3171.7000112.1Q184 K185Q184-L188 HydrophobicContact CG-CD1 4.4Å; Q184-L188 WeakPolarHBondContact O-CG 3.47Å; Q184-L188 PolarHBondContact O-N 3.17Å; K185-L188 PolarHBondContact O-N 3.47Å
189D85.1Confident86Confident48 Ų4891.1 Ų91.126%0.25746%0.461SS..  trans-148.2108.4-177.7-179.7-2.2000110K185 S191 F192 K195K185-D189 PolarHBondContact O-N 3.13Å; D189-S191 PolarHBondContact O-N 2.73Å; D189-S191 WeakPolarHBondContact OD1-CA 3.28Å; D189-S191 WeakPolarHBondContact OD1-CB 3.11Å; D189-S191 PolarHBondContact OD1-N 3.02Å; D189-S191 PolarHBondContact OD1-OG 3.29Å; D189-F192 HydrophobicContact CB-CB 4.26Å; D189-F192 VanDerWaalsContact O-CD1 3.29Å; D189-F192 WeakPolarHBondContact O-CD1 3.45Å; D189-F192 PolarHBondContact O-N 2.97Å; D189-F192 PolarHBondContact OD1-N 2.64Å; D189-K195 IonicContact OD2-NZ 3.71Å
190A79.9Confident85.6Confident76 Ų7690.2 Ų90.263%0.62846%0.461SS*.THydrogen-bonded Turntrans-63-15.3178.200000113.7W193A190-W193 PolarHBondContact O-NE1 2.98Å
191S81.5Confident85Confident52 Ų5291.7 Ų91.736%0.36447%0.468SS..THydrogen-bonded Turntrans-109.411.6-176.865.40000114.4D189 W193 R194D189-S191 PolarHBondContact O-N 2.73Å; D189-S191 WeakPolarHBondContact OD1-CA 3.28Å; D189-S191 WeakPolarHBondContact OD1-CB 3.11Å; D189-S191 PolarHBondContact OD1-N 3.02Å; D189-S191 PolarHBondContact OD1-OG 3.29Å; S191-W193 PolarHBondContact O-N 3.24Å; S191-W193 VanDerWaalsContact O-N 3.1Å; S191-R194 WeakPolarHBondContact O-CB 3.47Å; S191-R194 PolarHBondContact O-N 3.18Å
192F85.4Confident84.5Confident29 Ų2994.2 Ų94.213%0.12748%0.476CS..G310 helixtrans-56.1-32-175.680.5-93.7000114F147 M182 K185 L186 D189 R194 K195F147-F192 AromaticContact CE1-CE2 3.86Å; F147-F192 HydrophobicContact CE1-CE2 3.86Å; F147-F192 HydrophobicContact CE1-CZ 4.19Å; F147-F192 AromaticContact CZ-CE2 3.86Å; F147-F192 HydrophobicContact CZ-CE2 3.86Å; M182-F192 HydrophobicContact SD-CE2 3.69Å; M182-F192 HydrophobicContact SD-CZ 3.46Å; M182-F192 WeakPolarHBondContact SD-CZ 3.29Å; K185-F192 HydrophobicContact CB-CD1 3.83Å; K185-F192 HydrophobicContact CB-CD2 4.18Å; K185-F192 HydrophobicContact CB-CE1 3.9Å; K185-F192 HydrophobicContact CB-CE2 4.25Å; K185-F192 HydrophobicContact CB-CG 3.99Å; K185-F192 HydrophobicContact CB-CZ 4.13Å; K185-F192 HydrophobicContact CD-CD2 3.96Å; K185-F192 HydrophobicContact CD-CE2 3.94Å; K185-F192 HydrophobicContact CD-CZ 4.49Å; L186-F192 HydrophobicContact CB-CE1 4.2Å; L186-F192 HydrophobicContact CD1-CE1 4.28Å; D189-F192 HydrophobicContact CB-CB 4.26Å; D189-F192 VanDerWaalsContact O-CD1 3.29Å; D189-F192 WeakPolarHBondContact O-CD1 3.45Å; D189-F192 PolarHBondContact O-N 2.97Å; D189-F192 PolarHBondContact OD1-N 2.64Å; F192-R194 PolarHBondContact O-N 3.24Å; F192-K195 PolarHBondContact O-N 3.27Å
193W82.6Confident84Confident45 Ų4599.6 Ų99.617%0.1750%0.504CS..G310 helixtrans-72.7-7.7-177.758.6-92.4000113.7Q143 F144 F147 A190 S191Q143-W193 HydrophobicContact CB-CZ3 4.17Å; F144-W193 HydrophobicContact CB-CD2 4.42Å; F144-W193 HydrophobicContact CB-CE3 4.39Å; F144-W193 HydrophobicContact CB-CH2 4.08Å; F144-W193 HydrophobicContact CB-CZ2 4.11Å; F144-W193 HydrophobicContact CB-CZ3 4.23Å; F144-W193 HydrophobicContact CD2-CB 4.33Å; F144-W193 AromaticContact CD2-CD1 3.64Å; F144-W193 AromaticContact CD2-CD2 3.64Å; F144-W193 HydrophobicContact CD2-CD2 3.64Å; F144-W193 AromaticContact CD2-CE2 3.67Å; F144-W193 HydrophobicContact CD2-CE3 4.29Å; F144-W193 AromaticContact CD2-CG 3.63Å; F144-W193 HydrophobicContact CD2-CG 3.63Å; F144-W193 HydrophobicContact CD2-CZ2 4.33Å; F144-W193 AromaticContact CD2-NE1 3.68Å; F144-W193 HydrophobicContact CE2-CB 4.49Å; F144-W193 AromaticContact CE2-CD1 3.76Å; F144-W193 HydrophobicContact CE2-CD2 4.47Å; F144-W193 HydrophobicContact CE2-CG 4.02Å; F147-W193 HydrophobicContact CD1-CB 3.41Å; F147-W193 VanDerWaalsContact CD1-CB 3.41Å; F147-W193 HydrophobicContact CD1-CG 4.39Å; F147-W193 HydrophobicContact CD2-CB 4.23Å; F147-W193 HydrophobicContact CE1-CB 3.31Å; F147-W193 HydrophobicContact CE2-CB 4.13Å; F147-W193 HydrophobicContact CG-CB 3.89Å; F147-W193 HydrophobicContact CZ-CB 3.69Å; A190-W193 PolarHBondContact O-NE1 2.98Å; S191-W193 PolarHBondContact O-N 3.24Å; S191-W193 VanDerWaalsContact O-N 3.1Å
194R78.9Confident83.4Confident194 Ų194100.3 Ų100.373%0.73251%0.506SS*.G310 helixtrans-85.8-9.7176.9-66179.865.4-161.7-1.5113.6S191 F192S191-R194 WeakPolarHBondContact O-CB 3.47Å; S191-R194 PolarHBondContact O-N 3.18Å; F192-R194 PolarHBondContact O-N 3.24Å
195K61.8Low82.6Confident218 Ų21898.2 Ų98.295%0.94850%0.5SS*.  trans-87.60-180-63.7-179.7-175.1169.80110.3D189 F192D189-K195 IonicContact OD2-NZ 3.71Å; F192-K195 PolarHBondContact O-N 3.27Å

Retrieved 195 of 195 residues in 38.3 ms (Link to these results)

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