A0A077YZP1_TRITR Loading...

ADP-ribosylation factor-like protein 3

AlphaFold DB , UniProt , Accession A0A077YZP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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
1M52Low69.3Low176 Ų17656.9 Ų56.987%0.86727%0.27SS*.  0142.90-78.7-148.7-75.300108.4A5M1-A5 HydrophobicContact CB-CB 4.48Å; M1-A5 HydrophobicContact SD-CB 3.95Å
2G68.8Low68.6Low8 Ų862.4 Ų62.48%0.08232%0.32CS..  trans-118.4178.217900000111.4L4 A5 L6 V168G2-L4 PolarHBondContact O-N 2.88Å; G2-A5 PolarHBondContact O-N 3.02Å; G2-L6 PolarHBondContact O-N 3.49Å; G2-V168 VanDerWaalsContact N-CG2 3.31Å
3I72Confident68Low15 Ų1561.7 Ų61.78%0.07732%0.324CS..Hα-helixtrans-52.2-37.6-167.2-17153.3000114.2A5 L6 L7 L37 L122 F124 V166I3-A5 PolarHBondContact O-N 3.32Å; I3-L6 HydrophobicContact CD1-CD2 4.21Å; I3-L6 WeakPolarHBondContact O-CB 3.42Å; I3-L6 PolarHBondContact O-N 3.11Å; I3-L6 VanDerWaalsContact O-N 3.12Å; I3-L7 HydrophobicContact CD1-CD1 4.29Å; I3-L7 HydrophobicContact CD1-CD2 4.24Å; I3-L7 HydrophobicContact CD1-CG 3.97Å; I3-L7 HydrophobicContact CG1-CD1 3.8Å; I3-L7 HydrophobicContact CG1-CG 4Å; I3-L7 VanDerWaalsContact O-CG 3.25Å; I3-L7 WeakPolarHBondContact O-CG 3.12Å; I3-L7 PolarHBondContact O-N 2.96Å; I3-L37 HydrophobicContact CG2-CD2 3.8Å; I3-L122 HydrophobicContact CD1-CD2 3.25Å; I3-F124 HydrophobicContact CD1-CE2 4.2Å; I3-F124 HydrophobicContact CD1-CZ 3.63Å; I3-F124 HydrophobicContact CG1-CZ 4.2Å; I3-V166 WeakPolarHBondContact CB-O 3.29Å; I3-V166 VanDerWaalsContact CG2-O 3.28Å; I3-V166 WeakPolarHBondContact CG2-O 3.33Å; I3-V166 PolarHBondContact N-O 3.34Å
4L70.2Confident67.8Low48 Ų4866.2 Ų66.225%0.25136%0.363SS..Hα-helixtrans-62.3-41.1-179.4-65.1169.7000112.9G2 L6 L7 K8 S58 L63G2-L4 PolarHBondContact O-N 2.88Å; L4-L6 VanDerWaalsContact C-N 3.31Å; L4-L7 PolarHBondContact O-N 3.34Å; L4-K8 WeakPolarHBondContact O-CB 3.41Å; L4-K8 VanDerWaalsContact O-CG 3.26Å; L4-K8 WeakPolarHBondContact O-CG 3.36Å; L4-K8 PolarHBondContact O-N 3.24Å; L4-S58 WeakPolarHBondContact CD1-OG 3.29Å; L4-L63 HydrophobicContact CD2-CD1 3.24Å; L4-L63 HydrophobicContact CD2-CG 4.45Å
5A72.3Confident67.8Low34 Ų3463.9 Ų63.928%0.28136%0.361SS..Hα-helixtrans-68-36.9176.300000110.9M1 G2 I3 R9M1-A5 HydrophobicContact CB-CB 4.48Å; M1-A5 HydrophobicContact SD-CB 3.95Å; G2-A5 PolarHBondContact O-N 3.02Å; I3-A5 PolarHBondContact O-N 3.32Å; A5-R9 WeakPolarHBondContact O-CG 3.36Å; A5-R9 PolarHBondContact O-N 3.35Å
6L72.1Confident68.4Low20 Ų2070.2 Ų70.211%0.10538%0.383CS..Hα-helixtrans-64.8-48.5175.1177.757.2000111.5G2 I3 L4 K8 R9 L10 L122G2-L6 PolarHBondContact O-N 3.49Å; I3-L6 HydrophobicContact CD1-CD2 4.21Å; I3-L6 WeakPolarHBondContact O-CB 3.42Å; I3-L6 PolarHBondContact O-N 3.11Å; I3-L6 VanDerWaalsContact O-N 3.12Å; L4-L6 VanDerWaalsContact C-N 3.31Å; L6-K8 VanDerWaalsContact C-N 3.31Å; L6-K8 PolarHBondContact O-N 3.43Å; L6-R9 WeakPolarHBondContact O-CB 3.43Å; L6-R9 PolarHBondContact O-N 3.19Å; L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 4.15Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.18Å; L6-L122 HydrophobicContact CD2-CD1 3.64Å; L6-L122 HydrophobicContact CD2-CD2 3.82Å; L6-L122 HydrophobicContact CD2-CG 4.37Å
7L72.2Confident69.5Low9 Ų972 Ų725%0.04739%0.388CS..Hα-helixtrans-62-39177.2-64.9170.9000111.7I3 L4 R9 L10 R11 I20 L63 I87 I89I3-L7 HydrophobicContact CD1-CD1 4.29Å; I3-L7 HydrophobicContact CD1-CD2 4.24Å; I3-L7 HydrophobicContact CD1-CG 3.97Å; I3-L7 HydrophobicContact CG1-CD1 3.8Å; I3-L7 HydrophobicContact CG1-CG 4Å; I3-L7 VanDerWaalsContact O-CG 3.25Å; I3-L7 WeakPolarHBondContact O-CG 3.12Å; I3-L7 PolarHBondContact O-N 2.96Å; L4-L7 PolarHBondContact O-N 3.34Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.16Å; L7-R11 PolarHBondContact O-N 3.36Å; L7-I20 HydrophobicContact CD1-CD1 3.59Å; L7-I20 HydrophobicContact CD2-CD1 4.22Å; L7-I20 HydrophobicContact CG-CD1 4.48Å; L7-L63 HydrophobicContact CD1-CD1 3.98Å; L7-I87 HydrophobicContact CB-CD1 3.88Å; L7-I87 HydrophobicContact CD2-CD1 3.52Å; L7-I87 HydrophobicContact CD2-CG2 3.91Å; L7-I87 HydrophobicContact CG-CD1 4.28Å; L7-I89 HydrophobicContact CD2-CD1 4.2Å
8K72.1Confident70.6Confident92 Ų9268.3 Ų68.340%0.437%0.368SS..Hα-helixtrans-61.3-37.3172.8-78.3175.7178178.40112.3L4 L6 D59L4-K8 WeakPolarHBondContact O-CB 3.41Å; L4-K8 VanDerWaalsContact O-CG 3.26Å; L4-K8 WeakPolarHBondContact O-CG 3.36Å; L4-K8 PolarHBondContact O-N 3.24Å; L6-K8 VanDerWaalsContact C-N 3.31Å; L6-K8 PolarHBondContact O-N 3.43Å; K8-D59 IonicContact NZ-OD2 2.77Å; K8-D59 PolarHBondContact NZ-OD2 2.7Å
9R72.7Confident71.7Confident170 Ų17067.4 Ų67.464%0.64236%0.359SS*.Hα-helixtrans-73.2-35.5177.6-74177.774.8-159.84.5113.4A5 L6 L7 R11A5-R9 WeakPolarHBondContact O-CG 3.36Å; A5-R9 PolarHBondContact O-N 3.35Å; L6-R9 WeakPolarHBondContact O-CB 3.43Å; L6-R9 PolarHBondContact O-N 3.19Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.34Å; R9-R11 VanDerWaalsContact C-N 3.27Å; R9-R11 PolarHBondContact O-N 2.92Å
10L67.2Low72.8Confident13 Ų1364.1 Ų64.17%0.06834%0.341CS..Hα-helixtrans-72.9-21.7-179.8-70.7173.7000112.4L6 L7 I87 P120 L122 Q152L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 4.15Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.18Å; L7-L10 PolarHBondContact O-N 3.16Å; L10-I87 HydrophobicContact CB-CD1 4.38Å; L10-P120 HydrophobicContact CB-CB 3.89Å; L10-P120 HydrophobicContact CB-CG 4.37Å; L10-P120 HydrophobicContact CD2-CB 4.22Å; L10-P120 HydrophobicContact CG-CB 4.46Å; L10-P120 WeakPolarHBondContact O-CG 3.41Å; L10-L122 HydrophobicContact CD1-CB 4.22Å; L10-Q152 HydrophobicContact CD2-CB 4.31Å
11R70.4Confident74Confident41 Ų4161 Ų6116%0.15533%0.325CS..  trans-76.4140.9-174.6-174.8179.3-170.9-147.37.5113.5L7 R9 S13 G15 E17L7-R11 PolarHBondContact O-N 3.36Å; R9-R11 VanDerWaalsContact C-N 3.27Å; R9-R11 PolarHBondContact O-N 2.92Å; R11-S13 WeakPolarHBondContact CD-O 3.34Å; R11-S13 PolarHBondContact NE-O 3.07Å; R11-S13 PolarHBondContact NH1-O 2.64Å; R11-S13 VanDerWaalsContact NH1-O 3.09Å; R11-G15 PolarHBondContact NH1-O 3.02Å; R11-G15 VanDerWaalsContact NH2-CA 3.3Å; R11-G15 VanDerWaalsContact NH2-N 3.12Å; R11-G15 PolarHBondContact NH2-O 3.11Å; R11-E17 PolarHBondContact NH2-O 2.91Å
12S61.3Low76.2Confident123 Ų12352.7 Ų52.786%0.8628%0.284SS*.  trans-98.2-29.716960.70000114.7
13S61.2Low77.6Confident53 Ų5352.3 Ų52.337%0.37128%0.28SS..  trans-82150.9-169.9176.90000115.1R11R11-S13 WeakPolarHBondContact CD-O 3.34Å; R11-S13 PolarHBondContact NE-O 3.07Å; R11-S13 PolarHBondContact NH1-O 2.64Å; R11-S13 VanDerWaalsContact NH1-O 3.09Å
14S64.3Low78.8Confident125 Ų12551.6 Ų51.687%0.87428%0.277SS*.  trans-92.3-3-17851.80000115.2
15G68Low80.2Confident32 Ų3249.7 Ų49.733%0.3327%0.266SS..SBendtrans-65169-178.600000114.2R11R11-G15 PolarHBondContact NH1-O 3.02Å; R11-G15 VanDerWaalsContact NH2-CA 3.3Å; R11-G15 VanDerWaalsContact NH2-N 3.12Å; R11-G15 PolarHBondContact NH2-O 3.11Å
16K78.1Confident81.4Confident164 Ų16450.4 Ų50.471%0.71327%0.265SS*.SBendtrans-89.5-11.2174.4-67.1-176.5179.5179.20114F61 K62K16-F61 WeakPolarHBondContact O-CA 3.37Å; K16-K62 PolarHBondContact O-N 3.25Å
17E86.4Confident82.6Confident101 Ų10154.7 Ų54.747%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-110.4144.6178.2-52-154.9168.800110.9R11 K62 N64R11-E17 PolarHBondContact NH2-O 2.91Å; E17-K62 CarbonylContact C-O 3.47Å; E17-K62 VanDerWaalsContact CA-O 3.27Å; E17-K62 WeakPolarHBondContact CA-O 3.46Å; E17-K62 HydrophobicContact CG-CB 4.2Å; E17-K62 HydrophobicContact CG-CD 4.35Å; E17-K62 WeakPolarHBondContact OE1-CD 3.19Å; E17-K62 IonicContact OE1-NZ 2.76Å; E17-K62 PolarHBondContact OE1-NZ 2.82Å; E17-K62 IonicContact OE2-NZ 3.7Å; E17-N64 PolarHBondContact OE2-ND2 3.45Å
18V88.8Confident83.8Confident6 Ų654.4 Ų54.44%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-129.1123.2176.1-175.60000108I20 K62 L63 N64 D86 I87V18-I20 HydrophobicContact CG1-CG1 4.08Å; V18-K62 PolarHBondContact N-O 2.97Å; V18-L63 HydrophobicContact CB-CD2 3.63Å; V18-L63 HydrophobicContact CG1-CD2 4.3Å; V18-L63 HydrophobicContact CG2-CD2 3.81Å; V18-N64 PolarHBondContact O-N 3.2Å; V18-D86 WeakPolarHBondContact CA-OD2 3.44Å; V18-D86 HydrophobicContact CG1-CB 3.76Å; V18-I87 HydrophobicContact CG1-CD1 4.12Å; V18-I87 HydrophobicContact CG1-CG1 4.38Å
19R92.6Very high85Confident50 Ų5050.6 Ų50.619%0.18928%0.275CS..EExtended strand (participates in β ladder)trans-92.1114.1174.2-174.7175.2-178.2174.9-5.7109.7Y81 E83 N84 D86 I87R19-Y81 PolarHBondContact NH2-O 2.77Å; R19-E83 VanDerWaalsContact CZ-O 3.24Å; R19-E83 PolarHBondContact NH1-O 3.25Å; R19-N84 WeakPolarHBondContact CB-O 3.47Å; R19-N84 WeakPolarHBondContact CD-O 3.49Å; R19-D86 PolarHBondContact N-OD2 3.34Å; R19-D86 PolarHBondContact O-N 2.79Å; R19-I87 PolarHBondContact O-N 3.26Å
20I93.9Very high86.2Confident2 Ų243.1 Ų43.11%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-104.8124.2178.7-60.7173.4000107.9L7 V18 L63 N64 V65 W66 I87 I89L7-I20 HydrophobicContact CD1-CD1 3.59Å; L7-I20 HydrophobicContact CD2-CD1 4.22Å; L7-I20 HydrophobicContact CG-CD1 4.48Å; V18-I20 HydrophobicContact CG1-CG1 4.08Å; I20-L63 HydrophobicContact CD1-CB 4.12Å; I20-L63 HydrophobicContact CD1-CD1 4.28Å; I20-L63 HydrophobicContact CD1-CD2 4.37Å; I20-N64 PolarHBondContact N-O 3.13Å; I20-V65 HydrophobicContact CB-CG2 4.18Å; I20-V65 HydrophobicContact CD1-CG2 4.14Å; I20-V65 HydrophobicContact CG2-CG1 4.28Å; I20-V65 HydrophobicContact CG2-CG2 4.49Å; I20-V65 WeakPolarHBondContact O-CA 3.45Å; I20-W66 PolarHBondContact O-N 2.85Å; I20-I87 WeakPolarHBondContact CA-O 3.37Å; I20-I87 HydrophobicContact CG1-CB 4.43Å; I20-I89 HydrophobicContact CG2-CB 4.44Å; I20-I89 HydrophobicContact CG2-CD1 3.44Å; I20-I89 VanDerWaalsContact CG2-CD1 3.44Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å
21L97.2Very high87.6Confident0 Ų043.5 Ų43.50%025%0.25CC..EExtended strand (participates in β ladder)trans-98.5120.3173.9-176.361.2000109.2L23 W66 I68 F82 A85 I87 L88 I89 L116L21-L23 HydrophobicContact CD1-CD2 4.13Å; L21-L23 HydrophobicContact CD1-CG 4.36Å; L21-L23 HydrophobicContact CD2-CD1 3.83Å; L21-L23 HydrophobicContact CD2-CG 4.25Å; L21-L23 HydrophobicContact CG-CD1 4.04Å; L21-L23 HydrophobicContact CG-CD2 4.21Å; L21-L23 HydrophobicContact CG-CG 3.89Å; L21-W66 HydrophobicContact CD1-CB 4.16Å; L21-I68 HydrophobicContact CD1-CD1 4.29Å; L21-I68 HydrophobicContact CD1-CG1 3.79Å; L21-F82 HydrophobicContact CD2-CD1 3.56Å; L21-F82 HydrophobicContact CD2-CE1 4.03Å; L21-A85 HydrophobicContact CB-CB 4.19Å; L21-I87 PolarHBondContact N-O 3.22Å; L21-L88 HydrophobicContact CB-CD1 4.39Å; L21-L88 HydrophobicContact CD2-CD1 4.3Å; L21-L88 HydrophobicContact CG-CD1 4.31Å; L21-I89 PolarHBondContact O-N 3.3Å; L21-L116 HydrophobicContact CD2-CD2 4.42Å
22L97.8Very high88.8Confident1 Ų142.6 Ų42.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-108.7105.7-176.1-17867000110.4K30 L34 V65 W66 D67 I68 I89 V91L22-K30 HydrophobicContact CD2-CB 3.9Å; L22-K30 WeakPolarHBondContact CD2-O 3.22Å; L22-K30 HydrophobicContact CG-CB 4.01Å; L22-K30 HydrophobicContact CG-CD 4.39Å; L22-K30 HydrophobicContact CG-CG 4.27Å; L22-L34 HydrophobicContact CD2-CB 4.29Å; L22-V65 HydrophobicContact CB-CG1 4.03Å; L22-V65 HydrophobicContact CD2-CG1 4.24Å; L22-W66 PolarHBondContact N-O 3.45Å; L22-D67 HydrophobicContact CD2-CB 4.2Å; L22-I68 PolarHBondContact O-N 2.98Å; L22-I89 WeakPolarHBondContact CA-O 3.3Å; L22-I89 HydrophobicContact CD1-CB 3.71Å; L22-I89 HydrophobicContact CD1-CG2 3.42Å; L22-I89 VanDerWaalsContact CD1-CG2 3.42Å; L22-V91 HydrophobicContact CD1-CG2 3.55Å
23L98.5Very high90.3Very high0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-124.2176.4-175.1-58.2-177.9000112.3L21 K30 I68 W78 F82 L88 I89 Y90 V91 L110L21-L23 HydrophobicContact CD1-CD2 4.13Å; L21-L23 HydrophobicContact CD1-CG 4.36Å; L21-L23 HydrophobicContact CD2-CD1 3.83Å; L21-L23 HydrophobicContact CD2-CG 4.25Å; L21-L23 HydrophobicContact CG-CD1 4.04Å; L21-L23 HydrophobicContact CG-CD2 4.21Å; L21-L23 HydrophobicContact CG-CG 3.89Å; L23-K30 VanDerWaalsContact O-CD 3.26Å; L23-K30 WeakPolarHBondContact O-CD 3.21Å; L23-I68 HydrophobicContact CD2-CB 3.64Å; L23-I68 HydrophobicContact CD2-CG1 3.63Å; L23-I68 HydrophobicContact CD2-CG2 4.47Å; L23-W78 HydrophobicContact CB-CH2 4.49Å; L23-W78 HydrophobicContact CB-CZ2 4.46Å; L23-W78 HydrophobicContact CD1-CB 4.45Å; L23-W78 HydrophobicContact CD1-CD2 4.15Å; L23-W78 HydrophobicContact CD1-CE3 4.14Å; L23-W78 HydrophobicContact CD1-CG 4.36Å; L23-W78 HydrophobicContact CD2-CD2 3.97Å; L23-W78 HydrophobicContact CD2-CG 3.91Å; L23-F82 HydrophobicContact CD1-CE1 4.01Å; L23-L88 HydrophobicContact CB-CD1 4.33Å; L23-L88 HydrophobicContact CD1-CD1 3.87Å; L23-L88 HydrophobicContact CG-CD1 4.1Å; L23-I89 PolarHBondContact N-O 3.49Å; L23-Y90 HydrophobicContact CB-CD2 3.98Å; L23-Y90 HydrophobicContact CB-CE2 4.33Å; L23-Y90 WeakPolarHBondContact O-CA 3.18Å; L23-V91 PolarHBondContact O-N 3.28Å; L23-L110 HydrophobicContact CB-CD1 4.3Å; L23-L110 HydrophobicContact CD1-CD1 3.78Å; L23-L110 HydrophobicContact CD1-CD2 3.69Å; L23-L110 HydrophobicContact CD1-CG 4.42Å
24G98.5Very high91.8Very high0 Ų034.5 Ų34.50%019%0.192CC..  trans132.4167.3-172.600000111.4K30 G70 W78 Y90G24-K30 PolarHBondContact O-NZ 3.15Å; G24-G70 WeakPolarHBondContact O-CA 3.41Å; G24-W78 WeakPolarHBondContact O-CZ2 3.48Å; G24-Y90 VanDerWaalsContact CA-CE2 3.47Å
25L98.5Very high93.2Very high7 Ų730.7 Ų30.74%0.03716%0.159CC..  trans-61.4162.9-178.8-50.7-170.8000112.5A28 K30 R75 R99 E102 E106L25-A28 VanDerWaalsContact O-CB 3.23Å; L25-A28 WeakPolarHBondContact O-CB 3.27Å; L25-A28 PolarHBondContact O-N 2.98Å; L25-K30 PolarHBondContact O-NZ 2.94Å; L25-R75 VanDerWaalsContact CD2-CZ 3.49Å; L25-R99 HydrophobicContact CD1-CB 3.91Å; L25-E102 HydrophobicContact CD1-CB 4.26Å; L25-E102 HydrophobicContact CD1-CG 3.93Å; L25-E102 HydrophobicContact CD2-CG 4.16Å; L25-E106 HydrophobicContact CD2-CB 4.37Å; L25-E106 HydrophobicContact CD2-CG 4Å
26D97.6Very high94.2Very high49 Ų4929.4 Ų29.426%0.26215%0.146SC..THydrogen-bonded Turntrans-58.1149.8166.457.3-81.2000111.3A28 G70 Q71 R75 R99D26-A28 PolarHBondContact O-N 2.93Å; D26-A28 VanDerWaalsContact O-N 3.08Å; D26-G70 PolarHBondContact N-O 2.9Å; D26-Q71 HydrophobicContact CB-CG 3.97Å; D26-R75 IonicContact OD1-NH2 2.76Å; D26-R75 PolarHBondContact OD1-NH2 3.23Å; D26-R99 PolarHBondContact O-NH1 2.89Å; D26-R99 PolarHBondContact O-NH2 2.9Å; D26-R99 IonicContact OD1-NH1 2.67Å; D26-R99 IonicContact OD2-NH1 3.31Å; D26-R99 PolarHBondContact OD2-NH1 2.74Å
27N97Very high94.5Very high111 Ų11123.2 Ų23.259%0.59412%0.121SC*.THydrogen-bonded Turntrans62.64.9-174.9-16341.9000115.8G29 K127N27-G29 PolarHBondContact O-N 3.32Å; N27-K127 PolarHBondContact ND2-NZ 2.76Å; N27-K127 WeakPolarHBondContact O-CE 3.39Å; N27-K127 PolarHBondContact O-NZ 2.88Å
28A98.1Very high94.5Very high2 Ų220.3 Ų20.32%0.01711%0.109CC..SBendtrans-67.4-17.5176.500000114.2L25 D26 V91 N126L25-A28 VanDerWaalsContact O-CB 3.23Å; L25-A28 WeakPolarHBondContact O-CB 3.27Å; L25-A28 PolarHBondContact O-N 2.98Å; D26-A28 PolarHBondContact O-N 2.93Å; D26-A28 VanDerWaalsContact O-N 3.08Å; A28-V91 HydrophobicContact CB-CB 4.27Å; A28-V91 HydrophobicContact CB-CG1 4.13Å; A28-V91 VanDerWaalsContact CB-O 3.31Å; A28-V91 WeakPolarHBondContact CB-O 3.42Å; A28-V91 VanDerWaalsContact O-CG1 3.3Å; A28-V91 WeakPolarHBondContact O-CG1 3.25Å; A28-N126 PolarHBondContact O-ND2 3.02Å
29G97.6Very high94.4Very high13 Ų1324.8 Ų24.813%0.13414%0.141CC..SBendtrans98.318.2178.200000115.5N27 T32 L33N27-G29 PolarHBondContact O-N 3.32Å; G29-T32 WeakPolarHBondContact O-CB 3.41Å; G29-T32 PolarHBondContact O-N 3.07Å; G29-L33 WeakPolarHBondContact O-CB 3.18Å; G29-L33 PolarHBondContact O-N 3.34Å
30K97Very high94.2Very high12 Ų1226 Ų265%0.05215%0.149CC..Hα-helixtrans-54.9-56.3178.7-59.6-173.3-59.1-76.10113.3L22 L23 G24 L25 T32 L33 L34 D67 I68 V91L22-K30 HydrophobicContact CD2-CB 3.9Å; L22-K30 WeakPolarHBondContact CD2-O 3.22Å; L22-K30 HydrophobicContact CG-CB 4.01Å; L22-K30 HydrophobicContact CG-CD 4.39Å; L22-K30 HydrophobicContact CG-CG 4.27Å; L23-K30 VanDerWaalsContact O-CD 3.26Å; L23-K30 WeakPolarHBondContact O-CD 3.21Å; G24-K30 PolarHBondContact O-NZ 3.15Å; L25-K30 PolarHBondContact O-NZ 2.94Å; K30-T32 VanDerWaalsContact C-N 3.32Å; K30-T32 PolarHBondContact O-N 3.36Å; K30-L33 WeakPolarHBondContact O-CB 3.38Å; K30-L33 PolarHBondContact O-N 3.3Å; K30-L33 VanDerWaalsContact O-N 3.14Å; K30-L34 PolarHBondContact O-N 2.86Å; K30-D67 VanDerWaalsContact CB-OD1 3.23Å; K30-D67 WeakPolarHBondContact CB-OD1 3.36Å; K30-I68 WeakPolarHBondContact CE-O 3.45Å; K30-V91 HydrophobicContact CG-CB 3.86Å; K30-V91 HydrophobicContact CG-CG2 3.83Å
31T96.1Very high94Very high22 Ų2230.6 Ų30.614%0.13517%0.173CC..Hα-helixtrans-64.3-37.1-179.4-47.30000112L34 K35 V45 T48 D67T31-L34 PolarHBondContact O-N 3Å; T31-K35 HydrophobicContact CG2-CD 4.27Å; T31-K35 WeakPolarHBondContact O-CB 3.24Å; T31-K35 WeakPolarHBondContact O-CG 3.26Å; T31-K35 PolarHBondContact O-N 3.04Å; T31-V45 HydrophobicContact CG2-CG1 3.88Å; T31-T48 PolarHBondContact OG1-OG1 2.95Å; T31-D67 WeakPolarHBondContact CB-OD2 2.99Å; T31-D67 PolarHBondContact OG1-OD2 3.44Å
32T96.2Very high93.7Very high22 Ų2232.9 Ų32.914%0.13519%0.185CC..Hα-helixtrans-61-45.7172.9-50.90000111.1G29 K30 K35 G36 I42 A160 I161G29-T32 WeakPolarHBondContact O-CB 3.41Å; G29-T32 PolarHBondContact O-N 3.07Å; K30-T32 VanDerWaalsContact C-N 3.32Å; K30-T32 PolarHBondContact O-N 3.36Å; T32-K35 PolarHBondContact O-N 3.4Å; T32-G36 PolarHBondContact O-N 3.28Å; T32-I42 HydrophobicContact CG2-CB 4.11Å; T32-I42 HydrophobicContact CG2-CD1 4.38Å; T32-I42 HydrophobicContact CG2-CG2 4.17Å; T32-A160 HydrophobicContact CG2-CB 3.85Å; T32-I161 HydrophobicContact CG2-CG1 4.33Å
33L93.7Very high93.2Very high2 Ų238 Ų381%0.0122%0.217CC..Hα-helixtrans-62.4-45178.1-173.3142.6000110.9G29 K30 G36 L37 F124 A160 V166G29-L33 WeakPolarHBondContact O-CB 3.18Å; G29-L33 PolarHBondContact O-N 3.34Å; K30-L33 WeakPolarHBondContact O-CB 3.38Å; K30-L33 PolarHBondContact O-N 3.3Å; K30-L33 VanDerWaalsContact O-N 3.14Å; L33-G36 PolarHBondContact O-N 2.83Å; L33-L37 HydrophobicContact CD2-CD1 3.72Å; L33-L37 HydrophobicContact CD2-CG 4.44Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.11Å; L33-F124 HydrophobicContact CD1-CB 4.47Å; L33-F124 HydrophobicContact CD1-CD1 4.48Å; L33-F124 HydrophobicContact CD1-CD2 3.59Å; L33-F124 HydrophobicContact CD1-CE2 3.81Å; L33-F124 HydrophobicContact CD1-CG 3.95Å; L33-F124 HydrophobicContact CD1-CZ 4.32Å; L33-F124 HydrophobicContact CD2-CD2 4.48Å; L33-F124 HydrophobicContact CD2-CE2 4.16Å; L33-A160 HydrophobicContact CB-CB 3.92Å; L33-V166 HydrophobicContact CD1-CG2 4.12Å; L33-V166 HydrophobicContact CG-CG1 4.37Å
34L92.7Very high92.6Very high4 Ų445.5 Ų45.52%0.02125%0.252CS..Hα-helixtrans-61.5-52.5177.1-178.653.3000111.9L22 K30 T31 G36 L37 V38 K54 V65 D67L22-L34 HydrophobicContact CD2-CB 4.29Å; K30-L34 PolarHBondContact O-N 2.86Å; T31-L34 PolarHBondContact O-N 3Å; L34-G36 VanDerWaalsContact C-N 3.31Å; L34-G36 PolarHBondContact O-N 3.48Å; L34-L37 WeakPolarHBondContact O-CB 3.38Å; L34-L37 PolarHBondContact O-N 2.93Å; L34-L37 VanDerWaalsContact O-N 3.16Å; L34-V38 WeakPolarHBondContact O-CG2 3.47Å; L34-V38 PolarHBondContact O-N 2.68Å; L34-K54 HydrophobicContact CD1-CB 4.01Å; L34-K54 HydrophobicContact CD1-CG 4.29Å; L34-K54 HydrophobicContact CD2-CB 4.21Å; L34-K54 HydrophobicContact CD2-CG 3.83Å; L34-K54 HydrophobicContact CG-CB 4.31Å; L34-K54 HydrophobicContact CG-CG 4.03Å; L34-V65 HydrophobicContact CD1-CB 3.72Å; L34-V65 HydrophobicContact CD1-CG1 3.78Å; L34-V65 HydrophobicContact CD1-CG2 4.1Å; L34-V65 HydrophobicContact CD2-CG1 4.33Å; L34-D67 HydrophobicContact CD2-CB 3.63Å
35K92.5Very high92.2Very high44 Ų4448 Ų4819%0.19127%0.267CS..Hα-helixtrans-56.6-45.3177.6-79176.2152.2-148.10111.6T31 T32 L37 V38 S39 E40 D41 I42 Q44 V45T31-K35 HydrophobicContact CG2-CD 4.27Å; T31-K35 WeakPolarHBondContact O-CB 3.24Å; T31-K35 WeakPolarHBondContact O-CG 3.26Å; T31-K35 PolarHBondContact O-N 3.04Å; T32-K35 PolarHBondContact O-N 3.4Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 2.84Å; K35-V38 CarbonylContact O-C 3.53Å; K35-V38 WeakPolarHBondContact O-CG2 3.44Å; K35-V38 PolarHBondContact O-N 3.4Å; K35-S39 PolarHBondContact O-N 3.27Å; K35-E40 HydrophobicContact CB-CB 4.03Å; K35-E40 HydrophobicContact CG-CB 4.15Å; K35-E40 PolarHBondContact O-N 2.86Å; K35-D41 WeakPolarHBondContact CD-O 3.29Å; K35-D41 PolarHBondContact NZ-O 2.88Å; K35-I42 HydrophobicContact CB-CG2 3.75Å; K35-Q44 PolarHBondContact NZ-O 3.45Å; K35-V45 HydrophobicContact CD-CG2 3.96Å
36G89.8Confident91.8Very high5 Ų553.1 Ų53.15%0.05230%0.299CS..Hα-helixtrans-62.4-36.6177.400000113.9T32 L33 L34 S39 K167T32-G36 PolarHBondContact O-N 3.28Å; L33-G36 PolarHBondContact O-N 2.83Å; L34-G36 VanDerWaalsContact C-N 3.31Å; L34-G36 PolarHBondContact O-N 3.48Å; G36-S39 PolarHBondContact O-N 2.88Å; G36-K167 VanDerWaalsContact O-CE 3.22Å; G36-K167 WeakPolarHBondContact O-CE 3.41Å; G36-K167 PolarHBondContact O-NZ 2.83Å
37L84.7Confident91.5Very high35 Ų3555.3 Ų55.318%0.18332%0.315CS..Hα-helixtrans-62.3-43.4174-77.5172.9000112.2I3 L33 L34 K35 S39 V166 K167I3-L37 HydrophobicContact CG2-CD2 3.8Å; L33-L37 HydrophobicContact CD2-CD1 3.72Å; L33-L37 HydrophobicContact CD2-CG 4.44Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.11Å; L34-L37 WeakPolarHBondContact O-CB 3.38Å; L34-L37 PolarHBondContact O-N 2.93Å; L34-L37 VanDerWaalsContact O-N 3.16Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 2.84Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 2.91Å; L37-V166 HydrophobicContact CD2-CG1 3.49Å; L37-V166 VanDerWaalsContact CD2-CG1 3.49Å; L37-V166 HydrophobicContact CG-CG1 3.98Å; L37-K167 HydrophobicContact CD2-CG 4.37Å; L37-K167 WeakPolarHBondContact O-CE 3.47Å; L37-K167 PolarHBondContact O-NZ 3.03Å
38V86.6Confident91.2Very high39 Ų3950.7 Ų50.724%0.23629%0.292CS..THydrogen-bonded Turntrans-87.99.3178.7-61.60000114.2L34 K35 E40 K54 V56L34-V38 WeakPolarHBondContact O-CG2 3.47Å; L34-V38 PolarHBondContact O-N 2.68Å; K35-V38 CarbonylContact O-C 3.53Å; K35-V38 WeakPolarHBondContact O-CG2 3.44Å; K35-V38 PolarHBondContact O-N 3.4Å; V38-E40 HydrophobicContact CG2-CB 4.09Å; V38-E40 HydrophobicContact CG2-CG 3.69Å; V38-E40 PolarHBondContact O-N 2.8Å; V38-K54 HydrophobicContact CG1-CB 4.39Å; V38-V56 HydrophobicContact CG1-CG2 3.41Å; V38-V56 VanDerWaalsContact CG1-CG2 3.41Å
39S86.1Confident90.7Very high100 Ų10058.9 Ų58.970%0.69933%0.33SS*.THydrogen-bonded Turntrans57.934.3-179.9-53.60000113.6K35 G36 L37 K167K35-S39 PolarHBondContact O-N 3.27Å; G36-S39 PolarHBondContact O-N 2.88Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 2.91Å; S39-K167 PolarHBondContact OG-NZ 2.77Å
40E88.3Confident90.4Very high77 Ų7759.7 Ų59.736%0.3634%0.338SS..  trans-87.3160.5170.6-77.1178.2-169.700111.5K35 V38 I42 K54K35-E40 HydrophobicContact CB-CB 4.03Å; K35-E40 HydrophobicContact CG-CB 4.15Å; K35-E40 PolarHBondContact O-N 2.86Å; V38-E40 HydrophobicContact CG2-CB 4.09Å; V38-E40 HydrophobicContact CG2-CG 3.69Å; V38-E40 PolarHBondContact O-N 2.8Å; E40-I42 PolarHBondContact O-N 3.04Å; E40-K54 WeakPolarHBondContact OE1-CE 3.35Å; E40-K54 IonicContact OE1-NZ 2.76Å; E40-K54 PolarHBondContact OE1-NZ 2.68Å; E40-K54 IonicContact OE2-NZ 3.18Å; E40-K54 PolarHBondContact OE2-NZ 2.86Å
41D89Confident90.2Very high97 Ų9763.4 Ų63.452%0.51935%0.354SS..  trans-64123.8176.5179.619.3000112K35 T43K35-D41 WeakPolarHBondContact CD-O 3.29Å; K35-D41 PolarHBondContact NZ-O 2.88Å; D41-T43 VanDerWaalsContact CG-OG1 3.22Å; D41-T43 WeakPolarHBondContact OD1-CB 3.42Å; D41-T43 VanDerWaalsContact OD1-CG2 3.25Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.36Å; D41-T43 PolarHBondContact OD1-N 3Å; D41-T43 PolarHBondContact OD1-OG1 3.32Å; D41-T43 PolarHBondContact OD2-OG1 2.8Å
42I90.5Very high90Very high48 Ų4865.6 Ų65.625%0.24637%0.365CS..  trans-100.9-1.6-18061.9164.9000113.6T32 K35 E40 V45 I161T32-I42 HydrophobicContact CG2-CB 4.11Å; T32-I42 HydrophobicContact CG2-CD1 4.38Å; T32-I42 HydrophobicContact CG2-CG2 4.17Å; K35-I42 HydrophobicContact CB-CG2 3.75Å; E40-I42 PolarHBondContact O-N 3.04Å; I42-V45 WeakPolarHBondContact O-CG2 3.3Å; I42-I161 HydrophobicContact CD1-CG2 4.48Å
43T88.1Confident89.7Confident110 Ų11067.9 Ų67.968%0.67538%0.376SS*.SBendtrans-68.7-36.8-176.5620000112.4D41D41-T43 VanDerWaalsContact CG-OG1 3.22Å; D41-T43 WeakPolarHBondContact OD1-CB 3.42Å; D41-T43 VanDerWaalsContact OD1-CG2 3.25Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.36Å; D41-T43 PolarHBondContact OD1-N 3Å; D41-T43 PolarHBondContact OD1-OG1 3.32Å; D41-T43 PolarHBondContact OD2-OG1 2.8Å
44Q86.7Confident89.6Confident156 Ų15671.2 Ų71.273%0.72939%0.39SS*.  trans-113.699.1177.2-61.3-173.58.200110.3K35K35-Q44 PolarHBondContact NZ-O 3.45Å
45V89.2Confident89.4Confident54 Ų5474.1 Ų74.133%0.32741%0.411SS..  trans-121.5115.1173.9-178.30000108.2T31 K35 I42T31-V45 HydrophobicContact CG2-CG1 3.88Å; K35-V45 HydrophobicContact CD-CG2 3.96Å; I42-V45 WeakPolarHBondContact O-CG2 3.3Å
46T90.4Very high88.9Confident113 Ų11373.7 Ų73.769%0.69341%0.412SS*.PPolyproline II helixtrans-97.2159174.455.90000110.3T48T46-T48 PolarHBondContact O-N 2.88Å
47P92Very high88.4Confident95 Ų9578.6 Ų78.662%0.61744%0.441SS*.PPolyproline II helixtrans-57.4122.1176-24.934.5000112Q49 Q71P47-Q49 PolarHBondContact O-N 3.33Å; P47-Q71 VanDerWaalsContact CB-NE2 3.28Å
48T89.3Confident87.7Confident15 Ų1578.2 Ų78.29%0.09244%0.441CS..PPolyproline II helixtrans-60.7122178-54.80000111T31 T46 D67 I74T31-T48 PolarHBondContact OG1-OG1 2.95Å; T46-T48 PolarHBondContact O-N 2.88Å; T48-D67 PolarHBondContact OG1-OD2 3.31Å; T48-I74 WeakPolarHBondContact O-CD1 3.36Å
49Q87.5Confident87Confident174 Ų17482.1 Ų82.181%0.81346%0.46SS*.SBendtrans-97.4111.5171.7-59.2-171.640.800108.1P47 F51P47-Q49 PolarHBondContact O-N 3.33Å; Q49-F51 PolarHBondContact O-N 3.06Å
50G91.5Very high86.4Confident30 Ų3080.1 Ų80.131%0.30946%0.455SS..SBendtrans79.4-111.9-172.200000111.4G69G50-G69 PolarHBondContact O-N 3.49Å
51F92.9Very high85.7Confident90 Ų9079.8 Ų79.840%0.39545%0.453SS..EExtended strand (participates in β ladder)trans-148158.7-174.469.1-86.4000113.5Q49 I53 W66 D67 I68 Y81Q49-F51 PolarHBondContact O-N 3.06Å; F51-I53 HydrophobicContact CD2-CD1 4.08Å; F51-I53 HydrophobicContact CD2-CG1 3.69Å; F51-I53 HydrophobicContact CE2-CD1 3.63Å; F51-I53 HydrophobicContact CE2-CG1 3.74Å; F51-W66 HydrophobicContact CD2-CE3 4.18Å; F51-W66 HydrophobicContact CD2-CZ3 4.25Å; F51-W66 HydrophobicContact CE2-CE3 4.46Å; F51-W66 HydrophobicContact CE2-CZ3 4.09Å; F51-D67 CarbonylContact C-O 3.55Å; F51-D67 WeakPolarHBondContact CA-O 3.36Å; F51-I68 HydrophobicContact CB-CD1 3.49Å; F51-I68 VanDerWaalsContact CB-CD1 3.49Å; F51-I68 HydrophobicContact CG-CD1 4.47Å; F51-Y81 HydrophobicContact CB-CE1 4.42Å; F51-Y81 AromaticContact CD1-CE1 3.75Å; F51-Y81 HydrophobicContact CD1-CE1 3.75Å; F51-Y81 AromaticContact CD1-CZ 3.73Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.32Å; F51-Y81 HydrophobicContact CE1-CE1 4.13Å; F51-Y81 HydrophobicContact CG-CE1 4.03Å
52N91.9Very high85.5Confident68 Ų6878.6 Ų78.636%0.36444%0.443SS..EExtended strand (participates in β ladder)trans-121.8145.9165.4-65.6-59.1000109.4D67N52-D67 HydrophobicContact CB-CB 4.3Å; N52-D67 PolarHBondContact N-O 2.73Å; N52-D67 PolarHBondContact O-N 3.49Å
53I91.4Very high85.4Confident70 Ų7077 Ų7736%0.35944%0.435SS..EExtended strand (participates in β ladder)trans-121.5133.2172-50.1171.6000108.8F51 V65 W66F51-I53 HydrophobicContact CD2-CD1 4.08Å; F51-I53 HydrophobicContact CD2-CG1 3.69Å; F51-I53 HydrophobicContact CE2-CD1 3.63Å; F51-I53 HydrophobicContact CE2-CG1 3.74Å; I53-V65 WeakPolarHBondContact CA-O 3.45Å; I53-W66 HydrophobicContact CD1-CD2 3.87Å; I53-W66 HydrophobicContact CD1-CE3 3.6Å; I53-W66 HydrophobicContact CD1-CH2 3.32Å; I53-W66 HydrophobicContact CD1-CZ2 3.58Å; I53-W66 HydrophobicContact CD1-CZ3 3.33Å; I53-W66 HydrophobicContact CG1-CD2 3.81Å; I53-W66 HydrophobicContact CG1-CE3 3.68Å; I53-W66 HydrophobicContact CG1-CG 4.41Å; I53-W66 HydrophobicContact CG1-CH2 4.31Å; I53-W66 HydrophobicContact CG1-CZ2 4.41Å; I53-W66 HydrophobicContact CG1-CZ3 3.95Å
54K91.3Very high85.5Confident72 Ų7272.9 Ų72.931%0.31341%0.409SS..EExtended strand (participates in β ladder)trans-130.3137168.3-60.6-73.1-179.5165.50109.7L34 V38 E40 V65L34-K54 HydrophobicContact CD1-CB 4.01Å; L34-K54 HydrophobicContact CD1-CG 4.29Å; L34-K54 HydrophobicContact CD2-CB 4.21Å; L34-K54 HydrophobicContact CD2-CG 3.83Å; L34-K54 HydrophobicContact CG-CB 4.31Å; L34-K54 HydrophobicContact CG-CG 4.03Å; V38-K54 HydrophobicContact CG1-CB 4.39Å; E40-K54 WeakPolarHBondContact OE1-CE 3.35Å; E40-K54 IonicContact OE1-NZ 2.76Å; E40-K54 PolarHBondContact OE1-NZ 2.68Å; E40-K54 IonicContact OE2-NZ 3.18Å; E40-K54 PolarHBondContact OE2-NZ 2.86Å; K54-V65 PolarHBondContact N-O 3.09Å; K54-V65 PolarHBondContact O-N 2.96Å
55S88.1Confident85.8Confident65 Ų6565.9 Ų65.946%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-100.9124.2172.5-610000109.4K62 L63 N64S55-K62 WeakPolarHBondContact OG-CE 3.27Å; S55-L63 CarbonylContact C-O 3.53Å; S55-L63 VanDerWaalsContact CA-O 3.25Å; S55-L63 WeakPolarHBondContact CA-O 3.13Å; S55-N64 WeakPolarHBondContact CB-OD1 3.48Å; S55-N64 PolarHBondContact OG-OD1 2.76Å
56V81.6Confident86.1Confident35 Ų3565.8 Ų65.821%0.21237%0.37CS..EExtended strand (participates in β ladder)trans-110.9119.5175.3-167.20000108.1V38 L63V38-V56 HydrophobicContact CG1-CG2 3.41Å; V38-V56 VanDerWaalsContact CG1-CG2 3.41Å; V56-L63 HydrophobicContact CB-CB 4.35Å; V56-L63 PolarHBondContact N-O 3.12Å; V56-L63 PolarHBondContact O-N 3.39Å
57V78.6Confident86.4Confident108 Ų10860.4 Ų60.466%0.65534%0.337SS*.EExtended strand (participates in β ladder)trans-93.9123.4174-176.90000108.6F61 K62V57-F61 CarbonylContact C-O 3.52Å; V57-F61 VanDerWaalsContact CA-O 3.28Å; V57-F61 WeakPolarHBondContact CA-O 3.35Å; V57-K62 HydrophobicContact CG2-CG 4.33Å
58S71.7Confident86.7Confident27 Ų2755.9 Ų55.919%0.18931%0.308CS..EExtended strand (participates in β ladder)trans-143.3129.4174.6-165.40000110.7L4 G60 F61L4-S58 WeakPolarHBondContact CD1-OG 3.29Å; S58-G60 PolarHBondContact O-N 3.12Å; S58-F61 PolarHBondContact N-O 2.86Å; S58-F61 WeakPolarHBondContact O-CB 3.42Å; S58-F61 PolarHBondContact O-N 2.8Å
59D71.3Confident87Confident120 Ų12055.2 Ų55.264%0.64230%0.304SS*.THydrogen-bonded Turntrans50.638.7179.3-48.4-31000114.2K8 F61K8-D59 IonicContact NZ-OD2 2.77Å; K8-D59 PolarHBondContact NZ-OD2 2.7Å; D59-F61 HydrophobicContact CB-CD2 4.42Å; D59-F61 VanDerWaalsContact O-CD2 3.24Å; D59-F61 WeakPolarHBondContact O-CD2 3.33Å; D59-F61 PolarHBondContact O-N 2.86Å
60G72.1Confident87.5Confident58 Ų5847.1 Ų47.160%0.59827%0.267SS*.THydrogen-bonded Turntrans77.33.7-17800000115.2S58S58-G60 PolarHBondContact O-N 3.12Å
61F75Confident87.7Confident70 Ų7047.7 Ų47.731%0.30726%0.262SS..EExtended strand (participates in β ladder)trans-101.9141.9171.8-63-86.6000110.7K16 V57 S58 D59K16-F61 WeakPolarHBondContact O-CA 3.37Å; V57-F61 CarbonylContact C-O 3.52Å; V57-F61 VanDerWaalsContact CA-O 3.28Å; V57-F61 WeakPolarHBondContact CA-O 3.35Å; S58-F61 PolarHBondContact N-O 2.86Å; S58-F61 WeakPolarHBondContact O-CB 3.42Å; S58-F61 PolarHBondContact O-N 2.8Å; D59-F61 HydrophobicContact CB-CD2 4.42Å; D59-F61 VanDerWaalsContact O-CD2 3.24Å; D59-F61 WeakPolarHBondContact O-CD2 3.33Å; D59-F61 PolarHBondContact O-N 2.86Å
62K84.2Confident87.9Confident72 Ų7251.4 Ų51.431%0.31327%0.273SS..EExtended strand (participates in β ladder)trans-107.5116.3173.8-174.3-178.8171.4-163.10109.5K16 E17 V18 S55 V57 N64K16-K62 PolarHBondContact O-N 3.25Å; E17-K62 CarbonylContact C-O 3.47Å; E17-K62 VanDerWaalsContact CA-O 3.27Å; E17-K62 WeakPolarHBondContact CA-O 3.46Å; E17-K62 HydrophobicContact CG-CB 4.2Å; E17-K62 HydrophobicContact CG-CD 4.35Å; E17-K62 WeakPolarHBondContact OE1-CD 3.19Å; E17-K62 IonicContact OE1-NZ 2.76Å; E17-K62 PolarHBondContact OE1-NZ 2.82Å; E17-K62 IonicContact OE2-NZ 3.7Å; V18-K62 PolarHBondContact N-O 2.97Å; S55-K62 WeakPolarHBondContact OG-CE 3.27Å; V57-K62 HydrophobicContact CG2-CG 4.33Å; K62-N64 VanDerWaalsContact CE-OD1 3.29Å; K62-N64 WeakPolarHBondContact CE-OD1 3.4Å
63L87.9Confident88Confident16 Ų1655.3 Ų55.38%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-96.9114.5175.5-54.5-176.1000108.6L4 L7 V18 I20 S55 V56L4-L63 HydrophobicContact CD2-CD1 3.24Å; L4-L63 HydrophobicContact CD2-CG 4.45Å; L7-L63 HydrophobicContact CD1-CD1 3.98Å; V18-L63 HydrophobicContact CB-CD2 3.63Å; V18-L63 HydrophobicContact CG1-CD2 4.3Å; V18-L63 HydrophobicContact CG2-CD2 3.81Å; I20-L63 HydrophobicContact CD1-CB 4.12Å; I20-L63 HydrophobicContact CD1-CD1 4.28Å; I20-L63 HydrophobicContact CD1-CD2 4.37Å; S55-L63 CarbonylContact C-O 3.53Å; S55-L63 VanDerWaalsContact CA-O 3.25Å; S55-L63 WeakPolarHBondContact CA-O 3.13Å; V56-L63 HydrophobicContact CB-CB 4.35Å; V56-L63 PolarHBondContact N-O 3.12Å; V56-L63 PolarHBondContact O-N 3.39Å
64N91.2Very high88.2Confident22 Ų2252.8 Ų52.812%0.11827%0.274CS..EExtended strand (participates in β ladder)trans-97.6102.1175.8-63.1-46.2000108.3E17 V18 I20 S55 K62E17-N64 PolarHBondContact OE2-ND2 3.45Å; V18-N64 PolarHBondContact O-N 3.2Å; I20-N64 PolarHBondContact N-O 3.13Å; S55-N64 WeakPolarHBondContact CB-OD1 3.48Å; S55-N64 PolarHBondContact OG-OD1 2.76Å; K62-N64 VanDerWaalsContact CE-OD1 3.29Å; K62-N64 WeakPolarHBondContact CE-OD1 3.4Å
65V93.6Very high88.4Confident9 Ų949.9 Ų49.96%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-94.4122.8-179.6-172.20000109.8I20 L22 L34 I53 K54I20-V65 HydrophobicContact CB-CG2 4.18Å; I20-V65 HydrophobicContact CD1-CG2 4.14Å; I20-V65 HydrophobicContact CG2-CG1 4.28Å; I20-V65 HydrophobicContact CG2-CG2 4.49Å; I20-V65 WeakPolarHBondContact O-CA 3.45Å; L22-V65 HydrophobicContact CB-CG1 4.03Å; L22-V65 HydrophobicContact CD2-CG1 4.24Å; L34-V65 HydrophobicContact CD1-CB 3.72Å; L34-V65 HydrophobicContact CD1-CG1 3.78Å; L34-V65 HydrophobicContact CD1-CG2 4.1Å; L34-V65 HydrophobicContact CD2-CG1 4.33Å; I53-V65 WeakPolarHBondContact CA-O 3.45Å; K54-V65 PolarHBondContact N-O 3.09Å; K54-V65 PolarHBondContact O-N 2.96Å
66W95.6Very high88.8Confident52 Ų5250.8 Ų50.820%0.19727%0.265CS..EExtended strand (participates in β ladder)trans-102.397.7176.4-66.972.3000109.3I20 L21 L22 F51 I53 I68 Y81I20-W66 PolarHBondContact O-N 2.85Å; L21-W66 HydrophobicContact CD1-CB 4.16Å; L22-W66 PolarHBondContact N-O 3.45Å; F51-W66 HydrophobicContact CD2-CE3 4.18Å; F51-W66 HydrophobicContact CD2-CZ3 4.25Å; F51-W66 HydrophobicContact CE2-CE3 4.46Å; F51-W66 HydrophobicContact CE2-CZ3 4.09Å; I53-W66 HydrophobicContact CD1-CD2 3.87Å; I53-W66 HydrophobicContact CD1-CE3 3.6Å; I53-W66 HydrophobicContact CD1-CH2 3.32Å; I53-W66 HydrophobicContact CD1-CZ2 3.58Å; I53-W66 HydrophobicContact CD1-CZ3 3.33Å; I53-W66 HydrophobicContact CG1-CD2 3.81Å; I53-W66 HydrophobicContact CG1-CE3 3.68Å; I53-W66 HydrophobicContact CG1-CG 4.41Å; I53-W66 HydrophobicContact CG1-CH2 4.31Å; I53-W66 HydrophobicContact CG1-CZ2 4.41Å; I53-W66 HydrophobicContact CG1-CZ3 3.95Å; W66-I68 HydrophobicContact CB-CD1 4.12Å; W66-Y81 AromaticContact CE3-CD1 3.76Å; W66-Y81 HydrophobicContact CE3-CD1 3.76Å; W66-Y81 HydrophobicContact CE3-CE1 4.23Å; W66-Y81 AromaticContact CZ3-CD1 3.88Å; W66-Y81 HydrophobicContact CZ3-CD1 3.88Å; W66-Y81 HydrophobicContact CZ3-CE1 4.13Å
67D96.2Very high89.4Confident0 Ų055.6 Ų55.60%028%0.281CS..EExtended strand (participates in β ladder)trans-83.4111.5174.4171.646.7000109.6L22 K30 T31 L34 T48 F51 N52L22-D67 HydrophobicContact CD2-CB 4.2Å; K30-D67 VanDerWaalsContact CB-OD1 3.23Å; K30-D67 WeakPolarHBondContact CB-OD1 3.36Å; T31-D67 WeakPolarHBondContact CB-OD2 2.99Å; T31-D67 PolarHBondContact OG1-OD2 3.44Å; L34-D67 HydrophobicContact CD2-CB 3.63Å; T48-D67 PolarHBondContact OG1-OD2 3.31Å; F51-D67 CarbonylContact C-O 3.55Å; F51-D67 WeakPolarHBondContact CA-O 3.36Å; N52-D67 HydrophobicContact CB-CB 4.3Å; N52-D67 PolarHBondContact N-O 2.73Å; N52-D67 PolarHBondContact O-N 3.49Å
68I97.2Very high90.3Very high1 Ų150.7 Ų50.71%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-105141.4-177.8-41.8-58.5000110.2L21 L22 L23 K30 F51 W66 G70 Y81L21-I68 HydrophobicContact CD1-CD1 4.29Å; L21-I68 HydrophobicContact CD1-CG1 3.79Å; L22-I68 PolarHBondContact O-N 2.98Å; L23-I68 HydrophobicContact CD2-CB 3.64Å; L23-I68 HydrophobicContact CD2-CG1 3.63Å; L23-I68 HydrophobicContact CD2-CG2 4.47Å; K30-I68 WeakPolarHBondContact CE-O 3.45Å; F51-I68 HydrophobicContact CB-CD1 3.49Å; F51-I68 VanDerWaalsContact CB-CD1 3.49Å; F51-I68 HydrophobicContact CG-CD1 4.47Å; W66-I68 HydrophobicContact CB-CD1 4.12Å; I68-G70 PolarHBondContact O-N 2.94Å; I68-Y81 HydrophobicContact CD1-CD1 3.91Å; I68-Y81 HydrophobicContact CD1-CD2 3.85Å; I68-Y81 HydrophobicContact CD1-CE1 4.19Å; I68-Y81 HydrophobicContact CD1-CE2 4.14Å; I68-Y81 HydrophobicContact CD1-CG 3.74Å; I68-Y81 HydrophobicContact CG1-CD2 4.18Å; I68-Y81 HydrophobicContact CG1-CG 4.34Å; I68-Y81 HydrophobicContact CG2-CD2 4.19Å; I68-Y81 HydrophobicContact CG2-CE2 4.06Å
69G96.4Very high91.5Very high1 Ų155 Ų551%0.0127%0.265CS..  trans-56135.717600000112.4G50 I74 W78G50-G69 PolarHBondContact O-N 3.49Å; G69-I74 WeakPolarHBondContact O-CG2 3.37Å; G69-W78 PolarHBondContact O-NE1 2.67Å
70G96.9Very high92.6Very high3 Ų354.1 Ų54.13%0.03126%0.261CS..  trans-103.46.1-176.200000115.4G24 D26 I68 R75G24-G70 WeakPolarHBondContact O-CA 3.41Å; D26-G70 PolarHBondContact N-O 2.9Å; I68-G70 PolarHBondContact O-N 2.94Å; G70-R75 PolarHBondContact O-NE 3.25Å; G70-R75 PolarHBondContact O-NH2 2.98Å
71Q96.8Very high93.8Very high43 Ų4353 Ų5320%0.20124%0.239CC..SBendtrans-68143.8178.6-60.5171.638.800109.2D26 P47 K73 I74 R75D26-Q71 HydrophobicContact CB-CG 3.97Å; P47-Q71 VanDerWaalsContact CB-NE2 3.28Å; Q71-K73 HydrophobicContact CB-CG 4.4Å; Q71-K73 PolarHBondContact O-N 3.21Å; Q71-I74 HydrophobicContact CB-CD1 4.11Å; Q71-I74 HydrophobicContact CB-CG1 4.22Å; Q71-I74 HydrophobicContact CG-CD1 4.32Å; Q71-I74 WeakPolarHBondContact O-CA 3.18Å; Q71-I74 WeakPolarHBondContact O-CB 3.41Å; Q71-I74 PolarHBondContact O-N 2.99Å; Q71-R75 WeakPolarHBondContact O-CG 3.43Å; Q71-R75 PolarHBondContact O-N 3.08Å
72R96.1Very high94.8Very high167 Ų16749.9 Ų49.963%0.6323%0.225SC*.THydrogen-bonded Turntrans-45-43.7-179.4-75.7-178.5175.8-128.26.8114.2I74 R75 P76 E102R72-I74 PolarHBondContact O-N 3.15Å; R72-R75 PolarHBondContact O-N 2.9Å; R72-P76 VanDerWaalsContact O-CD 3.3Å; R72-P76 WeakPolarHBondContact O-CD 3.4Å; R72-E102 IonicContact CZ-OE1 3.88Å; R72-E102 VanDerWaalsContact CZ-OE1 3.26Å; R72-E102 IonicContact CZ-OE2 3.86Å; R72-E102 IonicContact NE-OE1 3.7Å; R72-E102 PolarHBondContact NE-OE1 2.87Å; R72-E102 IonicContact NE-OE2 3.27Å; R72-E102 IonicContact NH2-OE1 2.66Å; R72-E102 PolarHBondContact NH2-OE1 3.42Å; R72-E102 VanDerWaalsContact NH2-OE1 3.12Å; R72-E102 IonicContact NH2-OE2 3.26Å; R72-E102 PolarHBondContact NH2-OE2 3.05Å
73K95.3Very high95.2Very high150 Ų15052 Ų5265%0.65224%0.236SC*.THydrogen-bonded Turntrans-66.6-17178.669.3179.9177.9178.10115.1Q71 Y77Q71-K73 HydrophobicContact CB-CG 4.4Å; Q71-K73 PolarHBondContact O-N 3.21Å; K73-Y77 WeakPolarHBondContact O-CE2 3.38Å
74I94.7Very high95.3Very high17 Ų1757 Ų579%0.08726%0.263CS..THydrogen-bonded Turntrans-99-30.7-177.3-56.7177.4000111.4T48 G69 Q71 R72 P76 Y77T48-I74 WeakPolarHBondContact O-CD1 3.36Å; G69-I74 WeakPolarHBondContact O-CG2 3.37Å; Q71-I74 HydrophobicContact CB-CD1 4.11Å; Q71-I74 HydrophobicContact CB-CG1 4.22Å; Q71-I74 HydrophobicContact CG-CD1 4.32Å; Q71-I74 WeakPolarHBondContact O-CA 3.18Å; Q71-I74 WeakPolarHBondContact O-CB 3.41Å; Q71-I74 PolarHBondContact O-N 2.99Å; R72-I74 PolarHBondContact O-N 3.15Å; I74-P76 VanDerWaalsContact C-CD 3.42Å; I74-Y77 WeakPolarHBondContact O-CB 3.04Å; I74-Y77 WeakPolarHBondContact O-CD2 3.34Å; I74-Y77 PolarHBondContact O-N 2.64Å
75R97Very high95.5Very high12 Ų1256.3 Ų56.35%0.04526%0.261CS..G310 helixtrans-54.6-37.9-174.6-53.5-176.6-162.8151.51.7114.9L25 D26 G70 Q71 R72 Y77 W78 E102 E106L25-R75 VanDerWaalsContact CD2-CZ 3.49Å; D26-R75 IonicContact OD1-NH2 2.76Å; D26-R75 PolarHBondContact OD1-NH2 3.23Å; G70-R75 PolarHBondContact O-NE 3.25Å; G70-R75 PolarHBondContact O-NH2 2.98Å; Q71-R75 WeakPolarHBondContact O-CG 3.43Å; Q71-R75 PolarHBondContact O-N 3.08Å; R72-R75 PolarHBondContact O-N 2.9Å; R75-Y77 PolarHBondContact O-N 3.25Å; R75-W78 HydrophobicContact CB-CD2 4.1Å; R75-W78 HydrophobicContact CB-CE3 4.28Å; R75-W78 HydrophobicContact CB-CH2 4.48Å; R75-W78 HydrophobicContact CB-CZ2 4.28Å; R75-W78 HydrophobicContact CB-CZ3 4.46Å; R75-W78 HydrophobicContact CG-CD2 4.43Å; R75-W78 HydrophobicContact CG-CH2 4.01Å; R75-W78 HydrophobicContact CG-CZ2 3.71Å; R75-W78 HydrophobicContact CG-CZ3 4.46Å; R75-W78 VanDerWaalsContact O-CB 3.22Å; R75-W78 WeakPolarHBondContact O-CB 3.12Å; R75-W78 PolarHBondContact O-N 3.33Å; R75-E102 IonicContact CZ-OE1 3.51Å; R75-E102 IonicContact NH1-OE1 3.12Å; R75-E102 PolarHBondContact NH1-OE1 2.89Å; R75-E102 IonicContact NH2-OE1 3.3Å; R75-E102 PolarHBondContact NH2-OE1 3.46Å; R75-E106 WeakPolarHBondContact CD-OE1 3.35Å; R75-E106 WeakPolarHBondContact CD-OE2 3.35Å; R75-E106 IonicContact CZ-OE1 3.12Å; R75-E106 IonicContact NE-OE1 2.91Å; R75-E106 IonicContact NH1-OE1 2.82Å; R75-E106 PolarHBondContact NH1-OE1 3.19Å
76P95.4Very high95.5Very high83 Ų8358.1 Ų58.154%0.53927%0.27SS..G310 helixtrans-58.2-19.8175.1-27.636.5000114.8R72 I74 K79R72-P76 VanDerWaalsContact O-CD 3.3Å; R72-P76 WeakPolarHBondContact O-CD 3.4Å; I74-P76 VanDerWaalsContact C-CD 3.42Å; P76-K79 WeakPolarHBondContact O-CE 3.25Å
77Y95Very high95.4Very high137 Ų13755.7 Ų55.754%0.53726%0.261SS..G310 helixtrans-89.6-4.8177.5-56.5-77.7000113.4K73 I74 R75 K79 N80 Y81K73-Y77 WeakPolarHBondContact O-CE2 3.38Å; I74-Y77 WeakPolarHBondContact O-CB 3.04Å; I74-Y77 WeakPolarHBondContact O-CD2 3.34Å; I74-Y77 PolarHBondContact O-N 2.64Å; R75-Y77 PolarHBondContact O-N 3.25Å; Y77-K79 PolarHBondContact O-N 2.82Å; Y77-N80 VanDerWaalsContact O-CB 3.29Å; Y77-N80 WeakPolarHBondContact O-CB 3.45Å; Y77-N80 PolarHBondContact O-N 3.06Å; Y77-N80 VanDerWaalsContact O-N 3.07Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.43Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.23Å
78W97.4Very high95.5Very high5 Ų555.7 Ų55.72%0.01926%0.261CS..G310 helixtrans-55-38.9177.1-73.2-4.5000112.1L23 G24 G69 R75 N80 Y81 F82 Y90 E106 L110L23-W78 HydrophobicContact CB-CH2 4.49Å; L23-W78 HydrophobicContact CB-CZ2 4.46Å; L23-W78 HydrophobicContact CD1-CB 4.45Å; L23-W78 HydrophobicContact CD1-CD2 4.15Å; L23-W78 HydrophobicContact CD1-CE3 4.14Å; L23-W78 HydrophobicContact CD1-CG 4.36Å; L23-W78 HydrophobicContact CD2-CD2 3.97Å; L23-W78 HydrophobicContact CD2-CG 3.91Å; G24-W78 WeakPolarHBondContact O-CZ2 3.48Å; G69-W78 PolarHBondContact O-NE1 2.67Å; R75-W78 HydrophobicContact CB-CD2 4.1Å; R75-W78 HydrophobicContact CB-CE3 4.28Å; R75-W78 HydrophobicContact CB-CH2 4.48Å; R75-W78 HydrophobicContact CB-CZ2 4.28Å; R75-W78 HydrophobicContact CB-CZ3 4.46Å; R75-W78 HydrophobicContact CG-CD2 4.43Å; R75-W78 HydrophobicContact CG-CH2 4.01Å; R75-W78 HydrophobicContact CG-CZ2 3.71Å; R75-W78 HydrophobicContact CG-CZ3 4.46Å; R75-W78 VanDerWaalsContact O-CB 3.22Å; R75-W78 WeakPolarHBondContact O-CB 3.12Å; R75-W78 PolarHBondContact O-N 3.33Å; W78-N80 PolarHBondContact O-N 3.19Å; W78-Y81 WeakPolarHBondContact O-CD2 3.28Å; W78-Y81 PolarHBondContact O-N 3.43Å; W78-F82 HydrophobicContact CB-CE1 3.8Å; W78-F82 HydrophobicContact CB-CZ 3.91Å; W78-F82 VanDerWaalsContact O-CD1 3.27Å; W78-F82 WeakPolarHBondContact O-CD1 3.42Å; W78-F82 WeakPolarHBondContact O-CE1 3.34Å; W78-Y90 HydrophobicContact CH2-CE2 4.34Å; W78-Y90 HydrophobicContact CZ3-CE2 4.42Å; W78-E106 HydrophobicContact CZ3-CB 4.41Å; W78-L110 HydrophobicContact CE3-CD1 4.02Å; W78-L110 HydrophobicContact CE3-CD2 3.84Å; W78-L110 HydrophobicContact CE3-CG 4.14Å; W78-L110 HydrophobicContact CZ3-CD1 3.76Å; W78-L110 HydrophobicContact CZ3-CD2 4.38Å; W78-L110 HydrophobicContact CZ3-CG 4.19Å
79K96.2Very high95.5Very high116 Ų11656 Ų5650%0.50426%0.262SS..G310 helixtrans-56.5-21177.769-173.8179-178.90115.5P76 Y77 Y81 F82P76-K79 WeakPolarHBondContact O-CE 3.25Å; Y77-K79 PolarHBondContact O-N 2.82Å; K79-Y81 PolarHBondContact O-N 2.67Å; K79-F82 HydrophobicContact CB-CD2 4.06Å; K79-F82 HydrophobicContact CB-CE2 3.71Å; K79-F82 HydrophobicContact CB-CZ 4.19Å
80N95.4Very high95.6Very high102 Ų10255.9 Ų55.955%0.54526%0.262SS..G310 helixtrans-70.9-11.4176.1-60.8-13.5000112.4Y77 W78Y77-N80 VanDerWaalsContact O-CB 3.29Å; Y77-N80 WeakPolarHBondContact O-CB 3.45Å; Y77-N80 PolarHBondContact O-N 3.06Å; Y77-N80 VanDerWaalsContact O-N 3.07Å; W78-N80 PolarHBondContact O-N 3.19Å
81Y95.9Very high95.7Very high35 Ų3555.8 Ų55.814%0.13726%0.26CS..G310 helixtrans-117.6-0.8-174-53.1-82.4000114.2R19 F51 W66 I68 Y77 W78 K79 E83R19-Y81 PolarHBondContact NH2-O 2.77Å; F51-Y81 HydrophobicContact CB-CE1 4.42Å; F51-Y81 AromaticContact CD1-CE1 3.75Å; F51-Y81 HydrophobicContact CD1-CE1 3.75Å; F51-Y81 AromaticContact CD1-CZ 3.73Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.32Å; F51-Y81 HydrophobicContact CE1-CE1 4.13Å; F51-Y81 HydrophobicContact CG-CE1 4.03Å; W66-Y81 AromaticContact CE3-CD1 3.76Å; W66-Y81 HydrophobicContact CE3-CD1 3.76Å; W66-Y81 HydrophobicContact CE3-CE1 4.23Å; W66-Y81 AromaticContact CZ3-CD1 3.88Å; W66-Y81 HydrophobicContact CZ3-CD1 3.88Å; W66-Y81 HydrophobicContact CZ3-CE1 4.13Å; I68-Y81 HydrophobicContact CD1-CD1 3.91Å; I68-Y81 HydrophobicContact CD1-CD2 3.85Å; I68-Y81 HydrophobicContact CD1-CE1 4.19Å; I68-Y81 HydrophobicContact CD1-CE2 4.14Å; I68-Y81 HydrophobicContact CD1-CG 3.74Å; I68-Y81 HydrophobicContact CG1-CD2 4.18Å; I68-Y81 HydrophobicContact CG1-CG 4.34Å; I68-Y81 HydrophobicContact CG2-CD2 4.19Å; I68-Y81 HydrophobicContact CG2-CE2 4.06Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.43Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.23Å; W78-Y81 WeakPolarHBondContact O-CD2 3.28Å; W78-Y81 PolarHBondContact O-N 3.43Å; K79-Y81 PolarHBondContact O-N 2.67Å; Y81-E83 VanDerWaalsContact C-N 3.35Å; Y81-E83 PolarHBondContact O-N 2.87Å
82F96.5Very high95.8Very high4 Ų453.8 Ų53.82%0.01825%0.251CS..  trans-69.9-31.4-175.4-63.6-11.2000113.5L21 L23 W78 K79 N84 A85 L110 E113 K115 L116L21-F82 HydrophobicContact CD2-CD1 3.56Å; L21-F82 HydrophobicContact CD2-CE1 4.03Å; L23-F82 HydrophobicContact CD1-CE1 4.01Å; W78-F82 HydrophobicContact CB-CE1 3.8Å; W78-F82 HydrophobicContact CB-CZ 3.91Å; W78-F82 VanDerWaalsContact O-CD1 3.27Å; W78-F82 WeakPolarHBondContact O-CD1 3.42Å; W78-F82 WeakPolarHBondContact O-CE1 3.34Å; K79-F82 HydrophobicContact CB-CD2 4.06Å; K79-F82 HydrophobicContact CB-CE2 3.71Å; K79-F82 HydrophobicContact CB-CZ 4.19Å; F82-N84 PolarHBondContact O-N 2.8Å; F82-A85 WeakPolarHBondContact O-CB 3.26Å; F82-A85 PolarHBondContact O-N 2.97Å; F82-A85 VanDerWaalsContact O-N 3.11Å; F82-L110 HydrophobicContact CE1-CD2 3.69Å; F82-L110 HydrophobicContact CE2-CD2 4.3Å; F82-L110 HydrophobicContact CZ-CD2 3.34Å; F82-E113 HydrophobicContact CD2-CB 4.1Å; F82-E113 HydrophobicContact CD2-CG 4.14Å; F82-E113 HydrophobicContact CE2-CB 3.99Å; F82-E113 HydrophobicContact CE2-CG 3.55Å; F82-E113 HydrophobicContact CZ-CG 4.45Å; F82-K115 HydrophobicContact CB-CB 3.76Å; F82-K115 HydrophobicContact CB-CD 4.19Å; F82-L116 HydrophobicContact CB-CD2 3.96Å; F82-L116 HydrophobicContact CB-CG 4.06Å; F82-L116 HydrophobicContact CD1-CD1 3.9Å; F82-L116 HydrophobicContact CD1-CD2 4.24Å; F82-L116 HydrophobicContact CD1-CG 4.23Å; F82-L116 HydrophobicContact CD2-CD1 4.04Å; F82-L116 HydrophobicContact CD2-CG 4.11Å; F82-L116 HydrophobicContact CE1-CD1 3.99Å; F82-L116 HydrophobicContact CE2-CD1 4.17Å; F82-L116 HydrophobicContact CG-CD1 3.94Å; F82-L116 HydrophobicContact CG-CD2 4.11Å; F82-L116 HydrophobicContact CG-CG 3.88Å; F82-L116 HydrophobicContact CZ-CD1 4.15Å
83E93.1Very high95.9Very high118 Ų11846.5 Ų46.555%0.55122%0.224SC*.THydrogen-bonded Turntrans-60.7131.1-174.8-166165.4174.200111.4R19 Y81 A85R19-E83 VanDerWaalsContact CZ-O 3.24Å; R19-E83 PolarHBondContact NH1-O 3.25Å; Y81-E83 VanDerWaalsContact C-N 3.35Å; Y81-E83 PolarHBondContact O-N 2.87Å; E83-A85 PolarHBondContact O-N 2.87Å
84N90.2Very high96.1Very high119 Ų11939.3 Ų39.364%0.63619%0.193SC*.THydrogen-bonded Turntrans62.520.3-177.3-50.3-51.7000115.1R19 F82 D86R19-N84 WeakPolarHBondContact CB-O 3.47Å; R19-N84 WeakPolarHBondContact CD-O 3.49Å; F82-N84 PolarHBondContact O-N 2.8Å; N84-D86 PolarHBondContact O-N 2.85Å
85A94.8Very high96.2Very high9 Ų939.4 Ų39.47%0.07420%0.196CC..  trans-66.8120.8170.300000109.9L21 F82 E83 L116 V119L21-A85 HydrophobicContact CB-CB 4.19Å; F82-A85 WeakPolarHBondContact O-CB 3.26Å; F82-A85 PolarHBondContact O-N 2.97Å; F82-A85 VanDerWaalsContact O-N 3.11Å; E83-A85 PolarHBondContact O-N 2.87Å; A85-L116 HydrophobicContact CB-CD2 4.06Å; A85-V119 WeakPolarHBondContact O-CG2 3.42Å
86D93.6Very high96.3Very high47 Ų4740.5 Ų40.525%0.25120%0.202SC..SBendtrans-84.1-31.7175.6-67.9-73.4000111.6V18 R19 N84 P120V18-D86 WeakPolarHBondContact CA-OD2 3.44Å; V18-D86 HydrophobicContact CG1-CB 3.76Å; R19-D86 PolarHBondContact N-OD2 3.34Å; R19-D86 PolarHBondContact O-N 2.79Å; N84-D86 PolarHBondContact O-N 2.85Å; D86-P120 WeakPolarHBondContact O-CD 3.44Å
87I94.3Very high96.4Very high0 Ų042.8 Ų42.80%020%0.204CC..EExtended strand (participates in β ladder)trans-143.9132.3-179.7-57.8176.8000108.7L7 L10 V18 R19 I20 L21 I89L7-I87 HydrophobicContact CB-CD1 3.88Å; L7-I87 HydrophobicContact CD2-CD1 3.52Å; L7-I87 HydrophobicContact CD2-CG2 3.91Å; L7-I87 HydrophobicContact CG-CD1 4.28Å; L10-I87 HydrophobicContact CB-CD1 4.38Å; V18-I87 HydrophobicContact CG1-CD1 4.12Å; V18-I87 HydrophobicContact CG1-CG1 4.38Å; R19-I87 PolarHBondContact O-N 3.26Å; I20-I87 WeakPolarHBondContact CA-O 3.37Å; I20-I87 HydrophobicContact CG1-CB 4.43Å; L21-I87 PolarHBondContact N-O 3.22Å; I87-I89 HydrophobicContact CG2-CG1 4.24Å
88L97.2Very high96.5Very high0 Ų047.5 Ų47.50%022%0.221CC..EExtended strand (participates in β ladder)trans-95.7122.3168.2175.160000109L21 L23 L116 V119 P120 L121 L122L21-L88 HydrophobicContact CB-CD1 4.39Å; L21-L88 HydrophobicContact CD2-CD1 4.3Å; L21-L88 HydrophobicContact CG-CD1 4.31Å; L23-L88 HydrophobicContact CB-CD1 4.33Å; L23-L88 HydrophobicContact CD1-CD1 3.87Å; L23-L88 HydrophobicContact CG-CD1 4.1Å; L88-L116 HydrophobicContact CD2-CD1 4.28Å; L88-V119 HydrophobicContact CB-CG1 4.23Å; L88-P120 PolarHBondContact N-O 2.93Å; L88-L121 HydrophobicContact CB-CD1 4.36Å; L88-L121 HydrophobicContact CD2-CD1 3.96Å; L88-L121 HydrophobicContact CG-CD1 3.87Å; L88-L121 WeakPolarHBondContact O-CA 3.24Å; L88-L122 PolarHBondContact O-N 2.91Å
89I97.4Very high96.6Very high7 Ų749.4 Ų49.44%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-105.4122.8167.3-58.8-177.6000108.3L7 I20 L21 L22 L23 I87 V91 L122 F124L7-I89 HydrophobicContact CD2-CD1 4.2Å; I20-I89 HydrophobicContact CG2-CB 4.44Å; I20-I89 HydrophobicContact CG2-CD1 3.44Å; I20-I89 VanDerWaalsContact CG2-CD1 3.44Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; L21-I89 PolarHBondContact O-N 3.3Å; L22-I89 WeakPolarHBondContact CA-O 3.3Å; L22-I89 HydrophobicContact CD1-CB 3.71Å; L22-I89 HydrophobicContact CD1-CG2 3.42Å; L22-I89 VanDerWaalsContact CD1-CG2 3.42Å; L23-I89 PolarHBondContact N-O 3.49Å; I87-I89 HydrophobicContact CG2-CG1 4.24Å; I89-V91 HydrophobicContact CG2-CG2 4.31Å; I89-L122 CarbonylContact C-O 3.49Å; I89-L122 VanDerWaalsContact CA-O 3.25Å; I89-L122 WeakPolarHBondContact CA-O 3.23Å; I89-L122 HydrophobicContact CD1-CD2 4.43Å; I89-L122 HydrophobicContact CG1-CB 4.3Å; I89-L122 HydrophobicContact CG1-CD2 4.44Å; I89-F124 HydrophobicContact CD1-CE2 4.43Å; I89-F124 HydrophobicContact CG2-CD2 3.52Å; I89-F124 HydrophobicContact CG2-CE2 3.86Å
90Y98.7Very high96.7Very high0 Ų045.7 Ų45.70%021%0.212CC..EExtended strand (participates in β ladder)trans-113.7123.5176.2-162.4-101.1000110.4L23 G24 W78 I92 T103 E106 L107 L110 L122 I123 F124L23-Y90 HydrophobicContact CB-CD2 3.98Å; L23-Y90 HydrophobicContact CB-CE2 4.33Å; L23-Y90 WeakPolarHBondContact O-CA 3.18Å; G24-Y90 VanDerWaalsContact CA-CE2 3.47Å; W78-Y90 HydrophobicContact CH2-CE2 4.34Å; W78-Y90 HydrophobicContact CZ3-CE2 4.42Å; Y90-I92 HydrophobicContact CD1-CD1 4.16Å; Y90-I92 HydrophobicContact CD1-CG1 3.79Å; Y90-I92 HydrophobicContact CE1-CD1 4.27Å; Y90-I92 HydrophobicContact CE1-CG1 3.89Å; Y90-T103 WeakPolarHBondContact CE1-OG1 3.31Å; Y90-T103 PolarHBondContact OH-O 3.09Å; Y90-T103 PolarHBondContact OH-OG1 2.77Å; Y90-E106 WeakPolarHBondContact OH-CB 3.44Å; Y90-L107 HydrophobicContact CD1-CB 4.32Å; Y90-L107 HydrophobicContact CD1-CD1 3.96Å; Y90-L107 HydrophobicContact CD1-CD2 4.32Å; Y90-L107 HydrophobicContact CD1-CG 4.43Å; Y90-L107 HydrophobicContact CD2-CD1 4.15Å; Y90-L107 HydrophobicContact CE1-CB 3.86Å; Y90-L107 HydrophobicContact CE1-CD1 4.32Å; Y90-L107 HydrophobicContact CE1-CG 4.45Å; Y90-L107 HydrophobicContact CG-CD1 3.84Å; Y90-L110 HydrophobicContact CD2-CD1 3.69Å; Y90-L110 HydrophobicContact CE2-CD1 3.48Å; Y90-L110 VanDerWaalsContact CE2-CD1 3.48Å; Y90-L122 PolarHBondContact N-O 2.81Å; Y90-I123 CarbonylContact O-C 3.47Å; Y90-I123 VanDerWaalsContact O-CA 3.26Å; Y90-I123 WeakPolarHBondContact O-CA 3.48Å; Y90-F124 PolarHBondContact O-N 3.12Å
91V98.7Very high96.8Very high0 Ų047.3 Ų47.30%022%0.22CC..EExtended strand (participates in β ladder)trans-105.3126.5-176-170.30000110L22 L23 A28 K30 I89 F124 N126L22-V91 HydrophobicContact CD1-CG2 3.55Å; L23-V91 PolarHBondContact O-N 3.28Å; A28-V91 HydrophobicContact CB-CB 4.27Å; A28-V91 HydrophobicContact CB-CG1 4.13Å; A28-V91 VanDerWaalsContact CB-O 3.31Å; A28-V91 WeakPolarHBondContact CB-O 3.42Å; A28-V91 VanDerWaalsContact O-CG1 3.3Å; A28-V91 WeakPolarHBondContact O-CG1 3.25Å; K30-V91 HydrophobicContact CG-CB 3.86Å; K30-V91 HydrophobicContact CG-CG2 3.83Å; I89-V91 HydrophobicContact CG2-CG2 4.31Å; V91-F124 HydrophobicContact CG1-CB 4.32Å; V91-F124 HydrophobicContact CG2-CB 4.39Å; V91-N126 HydrophobicContact CG1-CB 3.71Å
92I98.8Very high96.9Very high2 Ų247.1 Ų47.11%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-114.3131.1178.5-59.3-179.5000108.6Y90 S94 T103 I123 F124 N126 L139 L143Y90-I92 HydrophobicContact CD1-CD1 4.16Å; Y90-I92 HydrophobicContact CD1-CG1 3.79Å; Y90-I92 HydrophobicContact CE1-CD1 4.27Å; Y90-I92 HydrophobicContact CE1-CG1 3.89Å; I92-S94 PolarHBondContact O-N 3.37Å; I92-T103 HydrophobicContact CD1-CG2 4.33Å; I92-T103 HydrophobicContact CG1-CG2 4.42Å; I92-T103 HydrophobicContact CG2-CG2 4.07Å; I92-I123 HydrophobicContact CD1-CG2 3.76Å; I92-I123 HydrophobicContact CG1-CG2 4.15Å; I92-F124 PolarHBondContact N-O 2.66Å; I92-N126 WeakPolarHBondContact O-CB 3.33Å; I92-N126 PolarHBondContact O-N 3.13Å; I92-L139 HydrophobicContact CG2-CD1 4.26Å; I92-L139 HydrophobicContact CG2-CD2 4.29Å; I92-L143 HydrophobicContact CD1-CD1 3.44Å; I92-L143 VanDerWaalsContact CD1-CD1 3.44Å
93D98.7Very high97Very high13 Ų1347.1 Ų47.17%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-73.3103.5166-175.9-19.1000109S95 D96 F100 K127D93-S95 PolarHBondContact O-N 3.08Å; D93-S95 WeakPolarHBondContact OD1-CA 3.37Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 3.5Å; D93-S95 PolarHBondContact OD1-OG 3.41Å; D93-D96 HydrophobicContact CB-CB 3.95Å; D93-D96 PolarHBondContact O-N 3.4Å; D93-D96 PolarHBondContact OD1-N 3.44Å; D93-F100 WeakPolarHBondContact O-CE1 3.25Å; D93-K127 WeakPolarHBondContact OD1-CD 3.39Å; D93-K127 VanDerWaalsContact OD2-CE 3.23Å; D93-K127 WeakPolarHBondContact OD2-CE 3.26Å; D93-K127 IonicContact OD2-NZ 2.66Å; D93-K127 PolarHBondContact OD2-NZ 3.17Å
94S98.8Very high97.3Very high0 Ų042 Ų420%020%0.2CC..THydrogen-bonded Turntrans-68.4-13.4-177.7-600000113.9I92 A125 N126 Q128 V134 L139I92-S94 PolarHBondContact O-N 3.37Å; S94-A125 WeakPolarHBondContact OG-CA 3.4Å; S94-A125 WeakPolarHBondContact OG-CB 3.36Å; S94-N126 WeakPolarHBondContact CB-O 3.43Å; S94-N126 PolarHBondContact N-O 2.87Å; S94-N126 PolarHBondContact OG-N 2.9Å; S94-N126 PolarHBondContact OG-O 2.86Å; S94-N126 VanDerWaalsContact OG-O 3.13Å; S94-Q128 PolarHBondContact OG-NE2 2.81Å; S94-V134 WeakPolarHBondContact CB-O 3.36Å; S94-V134 PolarHBondContact O-N 3.33Å; S94-L139 VanDerWaalsContact OG-CD1 3.23Å; S94-L139 WeakPolarHBondContact OG-CD1 3.47Å
95S98.3Very high97.7Very high19 Ų1942.1 Ų42.113%0.13320%0.198CC..THydrogen-bonded Turntrans-90.8-17.1179.177.40000113.1D93 K97 L130 N132D93-S95 PolarHBondContact O-N 3.08Å; D93-S95 WeakPolarHBondContact OD1-CA 3.37Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 3.5Å; D93-S95 PolarHBondContact OD1-OG 3.41Å; S95-K97 PolarHBondContact O-N 2.92Å; S95-L130 WeakPolarHBondContact OG-CD1 3.49Å; S95-N132 PolarHBondContact O-ND2 2.94Å
96D98.1Very high97.8Very high35 Ų3543.3 Ų43.319%0.18720%0.202CC..  trans-95.867.7-172.6-166.4-3.2000113D93 R98 R99 F100D93-D96 HydrophobicContact CB-CB 3.95Å; D93-D96 PolarHBondContact O-N 3.4Å; D93-D96 PolarHBondContact OD1-N 3.44Å; D96-R98 PolarHBondContact O-N 3.27Å; D96-R99 PolarHBondContact O-N 3.06Å; D96-R99 IonicContact OD2-CZ 3.79Å; D96-R99 IonicContact OD2-NE 2.86Å; D96-R99 PolarHBondContact OD2-NE 2.9Å; D96-R99 IonicContact OD2-NH2 2.7Å; D96-R99 PolarHBondContact OD2-NH2 2.81Å; D96-F100 WeakPolarHBondContact O-CD1 3.43Å; D96-F100 WeakPolarHBondContact O-CE1 3.47Å
97K97.6Very high98Very high130 Ų13041.2 Ų41.257%0.56519%0.191SC*.G310 helixtrans-55.8-25.2-178.8-59.3177.6-175.5-179.80113.5S95 R99 F100 V134S95-K97 PolarHBondContact O-N 2.92Å; K97-R99 PolarHBondContact O-N 3.35Å; K97-F100 HydrophobicContact CB-CE2 4.44Å; K97-F100 HydrophobicContact CB-CZ 4.49Å; K97-F100 HydrophobicContact CG-CE2 4.09Å; K97-F100 HydrophobicContact CG-CZ 4.03Å; K97-F100 PolarHBondContact O-N 2.97Å; K97-V134 HydrophobicContact CD-CG2 4.32Å; K97-V134 HydrophobicContact CG-CG2 4.13Å
98R97.9Very high98.2Very high237 Ų23744.9 Ų44.989%0.89421%0.209SC*.G310 helixtrans-70.5-19.9-178.4-64.2-179.9-178.5170.81.1112.8D96D96-R98 PolarHBondContact O-N 3.27Å
99R98.1Very high98.2Very high45 Ų4550.1 Ų50.117%0.1723%0.233CC..G310 helixtrans-114.317.3-179-65.5-166.6-68.2168.95113.1L25 D26 D96 K97 E102 T103L25-R99 HydrophobicContact CD1-CB 3.91Å; D26-R99 PolarHBondContact O-NH1 2.89Å; D26-R99 PolarHBondContact O-NH2 2.9Å; D26-R99 IonicContact OD1-NH1 2.67Å; D26-R99 IonicContact OD2-NH1 3.31Å; D26-R99 PolarHBondContact OD2-NH1 2.74Å; D96-R99 PolarHBondContact O-N 3.06Å; D96-R99 IonicContact OD2-CZ 3.79Å; D96-R99 IonicContact OD2-NE 2.86Å; D96-R99 PolarHBondContact OD2-NE 2.9Å; D96-R99 IonicContact OD2-NH2 2.7Å; D96-R99 PolarHBondContact OD2-NH2 2.81Å; K97-R99 PolarHBondContact O-N 3.35Å; R99-E102 HydrophobicContact CB-CB 4.4Å; R99-E102 PolarHBondContact O-N 3.5Å; R99-T103 WeakPolarHBondContact O-CB 3.33Å; R99-T103 PolarHBondContact O-N 3.5Å
100F98.4Very high98.2Very high38 Ų3850 Ų5017%0.16723%0.233CC..Hα-helixtrans-65.4-39.9177.4-78.18.1000112.4D93 D96 K97 T103 G104 V134 L139D93-F100 WeakPolarHBondContact O-CE1 3.25Å; D96-F100 WeakPolarHBondContact O-CD1 3.43Å; D96-F100 WeakPolarHBondContact O-CE1 3.47Å; K97-F100 HydrophobicContact CB-CE2 4.44Å; K97-F100 HydrophobicContact CB-CZ 4.49Å; K97-F100 HydrophobicContact CG-CE2 4.09Å; K97-F100 HydrophobicContact CG-CZ 4.03Å; K97-F100 PolarHBondContact O-N 2.97Å; F100-T103 WeakPolarHBondContact O-CG2 3.29Å; F100-G104 PolarHBondContact O-N 2.95Å; F100-V134 HydrophobicContact CE2-CB 4.11Å; F100-V134 HydrophobicContact CE2-CG1 4.36Å; F100-V134 HydrophobicContact CE2-CG2 3.77Å; F100-V134 HydrophobicContact CZ-CB 4Å; F100-V134 HydrophobicContact CZ-CG2 3.8Å; F100-L139 HydrophobicContact CD1-CD2 4.37Å; F100-L139 HydrophobicContact CD2-CD2 4.08Å; F100-L139 HydrophobicContact CE1-CD2 3.97Å; F100-L139 HydrophobicContact CE2-CD2 3.62Å; F100-L139 HydrophobicContact CG-CD2 4.44Å; F100-L139 HydrophobicContact CZ-CD2 3.58Å
101D98Very high98.1Very high136 Ų13651 Ų5173%0.72724%0.238SC*.Hα-helixtrans-64.9-46.2174.9-60.4-20.5000110.5T103 G104 M105D101-T103 PolarHBondContact O-N 2.97Å; D101-G104 PolarHBondContact O-N 3.06Å; D101-M105 VanDerWaalsContact O-CG 3.3Å; D101-M105 WeakPolarHBondContact O-CG 3.43Å; D101-M105 PolarHBondContact O-N 3.05Å
102E98.5Very high98Very high31 Ų3158.7 Ų58.715%0.14527%0.274CS..Hα-helixtrans-59.7-46.6177.7-180177-179.800111.9L25 R72 R75 R99 G104 M105 E106L25-E102 HydrophobicContact CD1-CB 4.26Å; L25-E102 HydrophobicContact CD1-CG 3.93Å; L25-E102 HydrophobicContact CD2-CG 4.16Å; R72-E102 IonicContact CZ-OE1 3.88Å; R72-E102 VanDerWaalsContact CZ-OE1 3.26Å; R72-E102 IonicContact CZ-OE2 3.86Å; R72-E102 IonicContact NE-OE1 3.7Å; R72-E102 PolarHBondContact NE-OE1 2.87Å; R72-E102 IonicContact NE-OE2 3.27Å; R72-E102 IonicContact NH2-OE1 2.66Å; R72-E102 PolarHBondContact NH2-OE1 3.42Å; R72-E102 VanDerWaalsContact NH2-OE1 3.12Å; R72-E102 IonicContact NH2-OE2 3.26Å; R72-E102 PolarHBondContact NH2-OE2 3.05Å; R75-E102 IonicContact CZ-OE1 3.51Å; R75-E102 IonicContact NH1-OE1 3.12Å; R75-E102 PolarHBondContact NH1-OE1 2.89Å; R75-E102 IonicContact NH2-OE1 3.3Å; R75-E102 PolarHBondContact NH2-OE1 3.46Å; R99-E102 HydrophobicContact CB-CB 4.4Å; R99-E102 PolarHBondContact O-N 3.5Å; E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 2.91Å; E102-M105 PolarHBondContact O-N 3.37Å; E102-E106 WeakPolarHBondContact O-CG 3.41Å; E102-E106 PolarHBondContact O-N 3.47Å; E102-E106 VanDerWaalsContact O-N 3.13Å
103T98.5Very high97.9Very high4 Ų462.1 Ų62.13%0.02529%0.29CS..Hα-helixtrans-69.6-30.4-179.3-161.40000112.4Y90 I92 R99 F100 D101 L107Y90-T103 WeakPolarHBondContact CE1-OG1 3.31Å; Y90-T103 PolarHBondContact OH-O 3.09Å; Y90-T103 PolarHBondContact OH-OG1 2.77Å; I92-T103 HydrophobicContact CD1-CG2 4.33Å; I92-T103 HydrophobicContact CG1-CG2 4.42Å; I92-T103 HydrophobicContact CG2-CG2 4.07Å; R99-T103 WeakPolarHBondContact O-CB 3.33Å; R99-T103 PolarHBondContact O-N 3.5Å; F100-T103 WeakPolarHBondContact O-CG2 3.29Å; D101-T103 PolarHBondContact O-N 2.97Å; T103-L107 WeakPolarHBondContact O-CB 3.34Å; T103-L107 PolarHBondContact O-N 3.16Å; T103-L107 VanDerWaalsContact O-N 3.12Å
104G98.4Very high97.8Very high11 Ų1169.8 Ų69.811%0.11333%0.326CS..Hα-helixtrans-69.7-47.8175.500000111.8F100 D101 E102 E106 L107 M108F100-G104 PolarHBondContact O-N 2.95Å; D101-G104 PolarHBondContact O-N 3.06Å; E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 2.91Å; G104-E106 PolarHBondContact O-N 3.41Å; G104-L107 PolarHBondContact O-N 3.39Å; G104-M108 WeakPolarHBondContact O-CG 3.4Å; G104-M108 PolarHBondContact O-N 3.21Å
105M98Very high97.6Very high121 Ų12175.6 Ų75.660%0.59635%0.351SS*.Hα-helixtrans-55.7-50.9175.3-71.6174.866.700111.5D101 E102 L107 M108 E109D101-M105 VanDerWaalsContact O-CG 3.3Å; D101-M105 WeakPolarHBondContact O-CG 3.43Å; D101-M105 PolarHBondContact O-N 3.05Å; E102-M105 PolarHBondContact O-N 3.37Å; M105-L107 VanDerWaalsContact C-N 3.29Å; M105-L107 PolarHBondContact O-N 3.31Å; M105-M108 PolarHBondContact O-N 2.67Å; M105-M108 VanDerWaalsContact O-N 3.15Å; M105-E109 WeakPolarHBondContact O-CG 3.42Å; M105-E109 PolarHBondContact O-N 2.9Å
106E98.3Very high97.6Very high34 Ų3474.7 Ų74.716%0.15934%0.344CS..Hα-helixtrans-63.9-34.2179.9-64.5-86.9-177.900112.2L25 R75 W78 Y90 E102 G104 L110L25-E106 HydrophobicContact CD2-CB 4.37Å; L25-E106 HydrophobicContact CD2-CG 4Å; R75-E106 WeakPolarHBondContact CD-OE1 3.35Å; R75-E106 WeakPolarHBondContact CD-OE2 3.35Å; R75-E106 IonicContact CZ-OE1 3.12Å; R75-E106 IonicContact NE-OE1 2.91Å; R75-E106 IonicContact NH1-OE1 2.82Å; R75-E106 PolarHBondContact NH1-OE1 3.19Å; W78-E106 HydrophobicContact CZ3-CB 4.41Å; Y90-E106 WeakPolarHBondContact OH-CB 3.44Å; E102-E106 WeakPolarHBondContact O-CG 3.41Å; E102-E106 PolarHBondContact O-N 3.47Å; E102-E106 VanDerWaalsContact O-N 3.13Å; G104-E106 PolarHBondContact O-N 3.41Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.37Å; E106-L110 PolarHBondContact O-N 3.4Å; E106-L110 VanDerWaalsContact O-N 3.11Å
107L98.4Very high97.4Very high2 Ų275.8 Ų75.81%0.0136%0.359CS..Hα-helixtrans-67.4-43.3174.1178.159.6000111.3Y90 T103 G104 M105 L110 L111 L121 I123 L145Y90-L107 HydrophobicContact CD1-CB 4.32Å; Y90-L107 HydrophobicContact CD1-CD1 3.96Å; Y90-L107 HydrophobicContact CD1-CD2 4.32Å; Y90-L107 HydrophobicContact CD1-CG 4.43Å; Y90-L107 HydrophobicContact CD2-CD1 4.15Å; Y90-L107 HydrophobicContact CE1-CB 3.86Å; Y90-L107 HydrophobicContact CE1-CD1 4.32Å; Y90-L107 HydrophobicContact CE1-CG 4.45Å; Y90-L107 HydrophobicContact CG-CD1 3.84Å; T103-L107 WeakPolarHBondContact O-CB 3.34Å; T103-L107 PolarHBondContact O-N 3.16Å; T103-L107 VanDerWaalsContact O-N 3.12Å; G104-L107 PolarHBondContact O-N 3.39Å; M105-L107 VanDerWaalsContact C-N 3.29Å; M105-L107 PolarHBondContact O-N 3.31Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 2.9Å; L107-L111 HydrophobicContact CD1-CD1 4.41Å; L107-L111 HydrophobicContact CD1-CG 4.35Å; L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.98Å; L107-L111 VanDerWaalsContact O-N 3.07Å; L107-L121 HydrophobicContact CD1-CD1 4.39Å; L107-L121 HydrophobicContact CD1-CD2 4.04Å; L107-I123 HydrophobicContact CD2-CD1 4.23Å; L107-L145 HydrophobicContact CD2-CD2 3.77Å
108M97.2Very high97.2Very high77 Ų7772.8 Ų72.838%0.37936%0.358SS..Hα-helixtrans-65.3-43.3179-66.6-55.4-65.400111.5G104 M105 L110 L111 E112G104-M108 WeakPolarHBondContact O-CG 3.4Å; G104-M108 PolarHBondContact O-N 3.21Å; M105-M108 PolarHBondContact O-N 2.67Å; M105-M108 VanDerWaalsContact O-N 3.15Å; M108-L110 VanDerWaalsContact C-N 3.29Å; M108-L110 PolarHBondContact O-N 2.92Å; M108-L111 PolarHBondContact O-N 3.14Å; M108-L111 HydrophobicContact SD-CD1 4.4Å; M108-E112 PolarHBondContact O-N 2.77Å; M108-E112 VanDerWaalsContact O-N 3.16Å
109E97.1Very high97.1Very high110 Ų11062.2 Ų62.251%0.51432%0.32SS..Hα-helixtrans-57-42.9173.7-73.1178.4-166.800111.5M105 L111 E112M105-E109 WeakPolarHBondContact O-CG 3.42Å; M105-E109 PolarHBondContact O-N 2.9Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.38Å; E109-E112 PolarHBondContact O-N 3.48Å
110L97.6Very high97Very high6 Ų660.8 Ų60.83%0.03132%0.316CS..Hα-helixtrans-62.6-32.9174.6-75.3173.2000113.5L23 W78 F82 Y90 E106 L107 M108 E112 L116L23-L110 HydrophobicContact CB-CD1 4.3Å; L23-L110 HydrophobicContact CD1-CD1 3.78Å; L23-L110 HydrophobicContact CD1-CD2 3.69Å; L23-L110 HydrophobicContact CD1-CG 4.42Å; W78-L110 HydrophobicContact CE3-CD1 4.02Å; W78-L110 HydrophobicContact CE3-CD2 3.84Å; W78-L110 HydrophobicContact CE3-CG 4.14Å; W78-L110 HydrophobicContact CZ3-CD1 3.76Å; W78-L110 HydrophobicContact CZ3-CD2 4.38Å; W78-L110 HydrophobicContact CZ3-CG 4.19Å; F82-L110 HydrophobicContact CE1-CD2 3.69Å; F82-L110 HydrophobicContact CE2-CD2 4.3Å; F82-L110 HydrophobicContact CZ-CD2 3.34Å; Y90-L110 HydrophobicContact CD2-CD1 3.69Å; Y90-L110 HydrophobicContact CE2-CD1 3.48Å; Y90-L110 VanDerWaalsContact CE2-CD1 3.48Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.37Å; E106-L110 PolarHBondContact O-N 3.4Å; E106-L110 VanDerWaalsContact O-N 3.11Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 2.9Å; M108-L110 VanDerWaalsContact C-N 3.29Å; M108-L110 PolarHBondContact O-N 2.92Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-L116 HydrophobicContact CD2-CD1 4.2Å; L110-L116 WeakPolarHBondContact O-CD1 3.12Å
111L96.8Very high96.9Very high19 Ų1959 Ų5910%0.09931%0.308CS..Hα-helixtrans-78.4-20.2-178.2-70.8-179.1000113.2L107 M108 E109 E113 L121 I148 R151L107-L111 HydrophobicContact CD1-CD1 4.41Å; L107-L111 HydrophobicContact CD1-CG 4.35Å; L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.98Å; L107-L111 VanDerWaalsContact O-N 3.07Å; M108-L111 PolarHBondContact O-N 3.14Å; M108-L111 HydrophobicContact SD-CD1 4.4Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.38Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-L121 HydrophobicContact CD1-CD2 4.35Å; L111-L121 HydrophobicContact CD2-CD2 4.1Å; L111-I148 HydrophobicContact CD1-CD1 3.49Å; L111-I148 VanDerWaalsContact CD1-CD1 3.49Å; L111-I148 HydrophobicContact CD1-CG1 3.83Å; L111-R151 PolarHBondContact O-NH2 2.76Å
112E96.2Very high96.9Very high162 Ų16252.5 Ų52.576%0.75727%0.273SS*.Hα-helixtrans-81.3-11.9174.5-68.4179.8174.700113.1M108 E109 L110 E114M108-E112 PolarHBondContact O-N 2.77Å; M108-E112 VanDerWaalsContact O-N 3.16Å; E109-E112 PolarHBondContact O-N 3.48Å; L110-E112 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 2.66Å
113E97.2Very high96.9Very high74 Ų7451 Ų5135%0.34627%0.267SS..  trans-72119.3-178-72.7-81.8-177.700112F82 L111 K115 L116 A117F82-E113 HydrophobicContact CD2-CB 4.1Å; F82-E113 HydrophobicContact CD2-CG 4.14Å; F82-E113 HydrophobicContact CE2-CB 3.99Å; F82-E113 HydrophobicContact CE2-CG 3.55Å; F82-E113 HydrophobicContact CZ-CG 4.45Å; L111-E113 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 2.78Å; E113-L116 HydrophobicContact CB-CB 4.39Å; E113-L116 HydrophobicContact CB-CD1 4.29Å; E113-L116 HydrophobicContact CB-CG 4.39Å; E113-L116 CarbonylContact O-C 3.52Å; E113-L116 WeakPolarHBondContact O-CA 3.43Å; E113-L116 PolarHBondContact O-N 3.05Å; E113-A117 PolarHBondContact O-N 2.8Å
114E95.7Very high96.8Very high175 Ų17550.9 Ų50.982%0.81827%0.266SS*.G310 helixtrans-55.9-37.6-178.3-173.9-176.4-17700112.4E112 L116 A117E112-E114 PolarHBondContact O-N 2.66Å; E114-L116 PolarHBondContact O-N 3.12Å; E114-A117 WeakPolarHBondContact O-CB 3.32Å; E114-A117 PolarHBondContact O-N 3.25Å
115K96.4Very high96.8Very high121 Ų12150.4 Ų50.453%0.52626%0.26SS..G310 helixtrans-65.3-20.6178.1-66-175.2-179.3-172.70113.4F82 E113F82-K115 HydrophobicContact CB-CB 3.76Å; F82-K115 HydrophobicContact CB-CD 4.19Å; E113-K115 PolarHBondContact O-N 2.78Å
116L96.6Very high96.9Very high0 Ų044.8 Ų44.80%023%0.233CC..G310 helixtrans-100.81.9175.2-63.5176.5000111.4L21 F82 A85 L88 L110 E113 E114 A118 V119 R151L21-L116 HydrophobicContact CD2-CD2 4.42Å; F82-L116 HydrophobicContact CB-CD2 3.96Å; F82-L116 HydrophobicContact CB-CG 4.06Å; F82-L116 HydrophobicContact CD1-CD1 3.9Å; F82-L116 HydrophobicContact CD1-CD2 4.24Å; F82-L116 HydrophobicContact CD1-CG 4.23Å; F82-L116 HydrophobicContact CD2-CD1 4.04Å; F82-L116 HydrophobicContact CD2-CG 4.11Å; F82-L116 HydrophobicContact CE1-CD1 3.99Å; F82-L116 HydrophobicContact CE2-CD1 4.17Å; F82-L116 HydrophobicContact CG-CD1 3.94Å; F82-L116 HydrophobicContact CG-CD2 4.11Å; F82-L116 HydrophobicContact CG-CG 3.88Å; F82-L116 HydrophobicContact CZ-CD1 4.15Å; A85-L116 HydrophobicContact CB-CD2 4.06Å; L88-L116 HydrophobicContact CD2-CD1 4.28Å; L110-L116 HydrophobicContact CD2-CD1 4.2Å; L110-L116 WeakPolarHBondContact O-CD1 3.12Å; E113-L116 HydrophobicContact CB-CB 4.39Å; E113-L116 HydrophobicContact CB-CD1 4.29Å; E113-L116 HydrophobicContact CB-CG 4.39Å; E113-L116 CarbonylContact O-C 3.52Å; E113-L116 WeakPolarHBondContact O-CA 3.43Å; E113-L116 PolarHBondContact O-N 3.05Å; E114-L116 PolarHBondContact O-N 3.12Å; L116-A118 PolarHBondContact O-N 3.03Å; L116-V119 HydrophobicContact CD2-CG2 4.49Å; L116-V119 VanDerWaalsContact O-CB 3.26Å; L116-V119 WeakPolarHBondContact O-CB 3.23Å; L116-V119 WeakPolarHBondContact O-CG2 3.3Å; L116-V119 PolarHBondContact O-N 3.39Å; L116-R151 VanDerWaalsContact O-CZ 3.24Å; L116-R151 PolarHBondContact O-NH1 3.17Å; L116-R151 PolarHBondContact O-NH2 3.31Å; L116-R151 VanDerWaalsContact O-NH2 3.11Å
117A94.2Very high96.9Very high59 Ų5944.8 Ų44.849%0.48823%0.232SC..THydrogen-bonded Turntrans-52.1133.8179.800000111.6E113 E114 V119E113-A117 PolarHBondContact O-N 2.8Å; E114-A117 WeakPolarHBondContact O-CB 3.32Å; E114-A117 PolarHBondContact O-N 3.25Å; A117-V119 PolarHBondContact O-N 3.01Å
118A92.9Very high96.9Very high67 Ų6747.5 Ų47.555%0.55425%0.245SC*.THydrogen-bonded Turntrans59.1-0.9-176.600000116.6L116 P120L116-A118 PolarHBondContact O-N 3.03Å; A118-P120 WeakPolarHBondContact O-CD 3.21Å
119V95.8Very high96.8Very high15 Ų1547.1 Ų47.19%0.09125%0.245CC..  trans-63.8123.3175.3176.80000109A85 L88 L116 A117 L121 R151A85-V119 WeakPolarHBondContact O-CG2 3.42Å; L88-V119 HydrophobicContact CB-CG1 4.23Å; L116-V119 HydrophobicContact CD2-CG2 4.49Å; L116-V119 VanDerWaalsContact O-CB 3.26Å; L116-V119 WeakPolarHBondContact O-CB 3.23Å; L116-V119 WeakPolarHBondContact O-CG2 3.3Å; L116-V119 PolarHBondContact O-N 3.39Å; A117-V119 PolarHBondContact O-N 3.01Å; V119-L121 PolarHBondContact O-N 3.36Å; V119-R151 WeakPolarHBondContact O-CD 3.21Å; V119-R151 PolarHBondContact O-NH1 2.95Å
120P96.2Very high96.9Very high14 Ų1445 Ų459%0.09124%0.236CC..  trans-56.1137.4177.4-21.127.4000112.4L10 D86 L88 A118 Q152L10-P120 HydrophobicContact CB-CB 3.89Å; L10-P120 HydrophobicContact CB-CG 4.37Å; L10-P120 HydrophobicContact CD2-CB 4.22Å; L10-P120 HydrophobicContact CG-CB 4.46Å; L10-P120 WeakPolarHBondContact O-CG 3.41Å; D86-P120 WeakPolarHBondContact O-CD 3.44Å; L88-P120 PolarHBondContact N-O 2.93Å; A118-P120 WeakPolarHBondContact O-CD 3.21Å; P120-Q152 WeakPolarHBondContact CA-O 3.28Å
121L97.3Very high96.8Very high0 Ų052.2 Ų52.20%028%0.28CS..EExtended strand (participates in β ladder)trans-109.2123.5-179.2171.762.6000111.3L88 L107 L111 V119 I123 I148 Q152 W153 Q154L88-L121 HydrophobicContact CB-CD1 4.36Å; L88-L121 HydrophobicContact CD2-CD1 3.96Å; L88-L121 HydrophobicContact CG-CD1 3.87Å; L88-L121 WeakPolarHBondContact O-CA 3.24Å; L107-L121 HydrophobicContact CD1-CD1 4.39Å; L107-L121 HydrophobicContact CD1-CD2 4.04Å; L111-L121 HydrophobicContact CD1-CD2 4.35Å; L111-L121 HydrophobicContact CD2-CD2 4.1Å; V119-L121 PolarHBondContact O-N 3.36Å; L121-I123 HydrophobicContact CD1-CG1 3.96Å; L121-I123 HydrophobicContact CD2-CD1 3.79Å; L121-I123 HydrophobicContact CD2-CG1 3.94Å; L121-I123 HydrophobicContact CG-CD1 4.16Å; L121-I123 HydrophobicContact CG-CG1 3.85Å; L121-I148 HydrophobicContact CD2-CD1 4.2Å; L121-Q152 PolarHBondContact N-O 3.26Å; L121-W153 HydrophobicContact CB-CB 4Å; L121-W153 HydrophobicContact CD2-CB 4.43Å; L121-W153 HydrophobicContact CG-CB 4.38Å; L121-W153 CarbonylContact O-C 3.54Å; L121-W153 WeakPolarHBondContact O-CA 3.37Å; L121-Q154 PolarHBondContact O-N 2.93Å
122L97Very high96.8Very high0 Ų055.4 Ų55.40%030%0.298CS..EExtended strand (participates in β ladder)trans-110.1123.5164.9174.961.6000110I3 L6 L10 L88 I89 Y90 F124 Q154 Q156I3-L122 HydrophobicContact CD1-CD2 3.25Å; L6-L122 HydrophobicContact CD2-CD1 3.64Å; L6-L122 HydrophobicContact CD2-CD2 3.82Å; L6-L122 HydrophobicContact CD2-CG 4.37Å; L10-L122 HydrophobicContact CD1-CB 4.22Å; L88-L122 PolarHBondContact O-N 2.91Å; I89-L122 CarbonylContact C-O 3.49Å; I89-L122 VanDerWaalsContact CA-O 3.25Å; I89-L122 WeakPolarHBondContact CA-O 3.23Å; I89-L122 HydrophobicContact CD1-CD2 4.43Å; I89-L122 HydrophobicContact CG1-CB 4.3Å; I89-L122 HydrophobicContact CG1-CD2 4.44Å; Y90-L122 PolarHBondContact N-O 2.81Å; L122-F124 HydrophobicContact CD2-CE2 3.91Å; L122-F124 HydrophobicContact CD2-CZ 3.93Å; L122-F124 HydrophobicContact CG-CE2 4.5Å; L122-Q154 WeakPolarHBondContact CA-O 3.19Å; L122-Q154 HydrophobicContact CD1-CB 4.22Å; L122-Q154 HydrophobicContact CD1-CG 4.38Å; L122-Q156 HydrophobicContact CD1-CB 4.23Å
123I98.3Very high96.9Very high0 Ų048.9 Ų48.90%027%0.271CS..EExtended strand (participates in β ladder)trans-102.6123.4175.2-59.8153.2000108.8Y90 I92 L107 L121 L145 Q154 I155 Q156Y90-I123 CarbonylContact O-C 3.47Å; Y90-I123 VanDerWaalsContact O-CA 3.26Å; Y90-I123 WeakPolarHBondContact O-CA 3.48Å; I92-I123 HydrophobicContact CD1-CG2 3.76Å; I92-I123 HydrophobicContact CG1-CG2 4.15Å; L107-I123 HydrophobicContact CD2-CD1 4.23Å; L121-I123 HydrophobicContact CD1-CG1 3.96Å; L121-I123 HydrophobicContact CD2-CD1 3.79Å; L121-I123 HydrophobicContact CD2-CG1 3.94Å; L121-I123 HydrophobicContact CG-CD1 4.16Å; L121-I123 HydrophobicContact CG-CG1 3.85Å; I123-L145 HydrophobicContact CD1-CD1 3.36Å; I123-L145 HydrophobicContact CD1-CD2 3.79Å; I123-L145 HydrophobicContact CD1-CG 4.18Å; I123-Q154 PolarHBondContact N-O 3.22Å; I123-I155 HydrophobicContact CB-CB 4.27Å; I123-I155 HydrophobicContact CB-CD1 4.36Å; I123-I155 HydrophobicContact CB-CG1 4.02Å; I123-I155 HydrophobicContact CG2-CD1 3.88Å; I123-I155 HydrophobicContact CG2-CG1 3.94Å; I123-I155 CarbonylContact O-C 3.49Å; I123-I155 WeakPolarHBondContact O-CA 3.34Å; I123-Q156 PolarHBondContact O-N 3.18Å
124F98.2Very high97Very high2 Ų246.7 Ų46.71%0.00926%0.263CS..EExtended strand (participates in β ladder)trans-92.6113.2167.2-81.6-60.6000109.5I3 L33 I89 Y90 V91 I92 L122 N126 Q156 C158 V166I3-F124 HydrophobicContact CD1-CE2 4.2Å; I3-F124 HydrophobicContact CD1-CZ 3.63Å; I3-F124 HydrophobicContact CG1-CZ 4.2Å; L33-F124 HydrophobicContact CD1-CB 4.47Å; L33-F124 HydrophobicContact CD1-CD1 4.48Å; L33-F124 HydrophobicContact CD1-CD2 3.59Å; L33-F124 HydrophobicContact CD1-CE2 3.81Å; L33-F124 HydrophobicContact CD1-CG 3.95Å; L33-F124 HydrophobicContact CD1-CZ 4.32Å; L33-F124 HydrophobicContact CD2-CD2 4.48Å; L33-F124 HydrophobicContact CD2-CE2 4.16Å; I89-F124 HydrophobicContact CD1-CE2 4.43Å; I89-F124 HydrophobicContact CG2-CD2 3.52Å; I89-F124 HydrophobicContact CG2-CE2 3.86Å; Y90-F124 PolarHBondContact O-N 3.12Å; V91-F124 HydrophobicContact CG1-CB 4.32Å; V91-F124 HydrophobicContact CG2-CB 4.39Å; I92-F124 PolarHBondContact N-O 2.66Å; L122-F124 HydrophobicContact CD2-CE2 3.91Å; L122-F124 HydrophobicContact CD2-CZ 3.93Å; L122-F124 HydrophobicContact CG-CE2 4.5Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 2.95Å; F124-N126 VanDerWaalsContact O-N 3.12Å; F124-Q156 HydrophobicContact CD1-CB 4.06Å; F124-Q156 HydrophobicContact CD1-CG 4.18Å; F124-Q156 HydrophobicContact CE1-CB 4.13Å; F124-Q156 HydrophobicContact CE1-CG 3.93Å; F124-C158 HydrophobicContact CD1-CB 3.88Å; F124-C158 WeakPolarHBondContact CD1-SG 3.23Å; F124-C158 HydrophobicContact CE1-CB 4.26Å; F124-V166 HydrophobicContact CE1-CG2 4.39Å
125A98.5Very high97.1Very high0 Ų042.1 Ų42.10%025%0.247CC..EExtended strand (participates in β ladder)trans-78.985.9164.700000107.4S94 Q128 A136 L139 I155 Q156 C158S94-A125 WeakPolarHBondContact OG-CA 3.4Å; S94-A125 WeakPolarHBondContact OG-CB 3.36Å; A125-Q128 WeakPolarHBondContact O-CG 3.39Å; A125-Q128 PolarHBondContact O-NE2 3.45Å; A125-A136 HydrophobicContact CB-CB 3.96Å; A125-L139 HydrophobicContact CB-CD1 3.8Å; A125-I155 HydrophobicContact CB-CD1 4.25Å; A125-I155 HydrophobicContact CB-CG1 4.21Å; A125-Q156 PolarHBondContact N-O 2.81Å; A125-C158 PolarHBondContact O-N 2.84Å
126N98.7Very high97.1Very high3 Ų336.9 Ų36.92%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-86.8164.3-169.9-171.436.7000112.5A28 V91 I92 S94 F124 C158 S159 A160A28-N126 PolarHBondContact O-ND2 3.02Å; V91-N126 HydrophobicContact CG1-CB 3.71Å; I92-N126 WeakPolarHBondContact O-CB 3.33Å; I92-N126 PolarHBondContact O-N 3.13Å; S94-N126 WeakPolarHBondContact CB-O 3.43Å; S94-N126 PolarHBondContact N-O 2.87Å; S94-N126 PolarHBondContact OG-N 2.9Å; S94-N126 PolarHBondContact OG-O 2.86Å; S94-N126 VanDerWaalsContact OG-O 3.13Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 2.95Å; F124-N126 VanDerWaalsContact O-N 3.12Å; N126-C158 CarbonylContact C-O 3.55Å; N126-C158 WeakPolarHBondContact CA-O 3.42Å; N126-S159 WeakPolarHBondContact OD1-CA 3.4Å; N126-A160 PolarHBondContact OD1-N 2.82Å
127K98.2Very high97.2Very high34 Ų3440.4 Ų40.415%0.14825%0.251CS..  trans67.433.5-178.8-46.2-164.5-168.8172.30113.7N27 D93 D129 L130 A133 C158N27-K127 PolarHBondContact ND2-NZ 2.76Å; N27-K127 WeakPolarHBondContact O-CE 3.39Å; N27-K127 PolarHBondContact O-NZ 2.88Å; D93-K127 WeakPolarHBondContact OD1-CD 3.39Å; D93-K127 VanDerWaalsContact OD2-CE 3.23Å; D93-K127 WeakPolarHBondContact OD2-CE 3.26Å; D93-K127 IonicContact OD2-NZ 2.66Å; D93-K127 PolarHBondContact OD2-NZ 3.17Å; K127-D129 VanDerWaalsContact CA-OD1 3.31Å; K127-D129 WeakPolarHBondContact CA-OD1 3.48Å; K127-D129 PolarHBondContact O-N 2.99Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.15Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.38Å; K127-L130 PolarHBondContact O-N 3.48Å; K127-A133 WeakPolarHBondContact O-CB 3.5Å; K127-C158 PolarHBondContact N-O 3.44Å; K127-C158 VanDerWaalsContact N-O 3.13Å
128Q98Very high97.4Very high59 Ų5939.4 Ų39.428%0.27624%0.243SC..THydrogen-bonded Turntrans-66.6-10.2174.3-62.4-70-53.600112.9S94 A125 L130 V134 P157 C158S94-Q128 PolarHBondContact OG-NE2 2.81Å; A125-Q128 WeakPolarHBondContact O-CG 3.39Å; A125-Q128 PolarHBondContact O-NE2 3.45Å; Q128-L130 PolarHBondContact O-N 3.26Å; Q128-V134 PolarHBondContact NE2-O 3.34Å; Q128-P157 HydrophobicContact CG-CB 3.87Å; Q128-C158 WeakPolarHBondContact CB-O 3.22Å; Q128-C158 WeakPolarHBondContact CG-O 3.45Å; Q128-C158 PolarHBondContact N-O 3.23Å; Q128-C158 VanDerWaalsContact N-O 3.08Å
129D96.9Very high97.6Very high70 Ų7036.4 Ų36.437%0.37422%0.217SC..THydrogen-bonded Turntrans-69.3-15.716955.3-73.4000113.4K127 S159 T162K127-D129 VanDerWaalsContact CA-OD1 3.31Å; K127-D129 WeakPolarHBondContact CA-OD1 3.48Å; K127-D129 PolarHBondContact O-N 2.99Å; D129-S159 VanDerWaalsContact CG-OG 3.27Å; D129-S159 WeakPolarHBondContact OD1-CB 3.17Å; D129-S159 PolarHBondContact OD1-OG 2.81Å; D129-T162 HydrophobicContact CB-CG2 4.46Å
130L97.9Very high97.7Very high65 Ų6536.3 Ų36.334%0.3422%0.218SC..SBendtrans-87.8135.2179.3-57.9-178.9000111.5S95 K127 Q128 N132 A133S95-L130 WeakPolarHBondContact OG-CD1 3.49Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.15Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.38Å; K127-L130 PolarHBondContact O-N 3.48Å; Q128-L130 PolarHBondContact O-N 3.26Å; L130-N132 PolarHBondContact O-N 3.29Å; L130-N132 VanDerWaalsContact O-N 3.14Å; L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 2.92Å
131V95.9Very high97.8Very high157 Ų15741.8 Ų41.895%0.95224%0.243SC*.THydrogen-bonded Turntrans-58.5-31-177.71780000113
132N96.8Very high97.8Very high87 Ų8744.8 Ų44.847%0.46527%0.273SS..THydrogen-bonded Turntrans-90.86.5-179.666.5-46.7000114S95 L130S95-N132 PolarHBondContact O-ND2 2.94Å; L130-N132 PolarHBondContact O-N 3.29Å; L130-N132 VanDerWaalsContact O-N 3.14Å
133A98.3Very high97.8Very high24 Ų2446 Ų4620%0.19828%0.279CS..PPolyproline II helixtrans-65.7136.9179.200000112.2K127 L130K127-A133 WeakPolarHBondContact O-CB 3.5Å; L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 2.92Å
134V98.3Very high97.8Very high28 Ų2851.6 Ų51.617%0.1731%0.306CS..PPolyproline II helixtrans-82.8139171.7179.50000109.4S94 K97 F100 Q128 A138 L139S94-V134 WeakPolarHBondContact CB-O 3.36Å; S94-V134 PolarHBondContact O-N 3.33Å; K97-V134 HydrophobicContact CD-CG2 4.32Å; K97-V134 HydrophobicContact CG-CG2 4.13Å; F100-V134 HydrophobicContact CE2-CB 4.11Å; F100-V134 HydrophobicContact CE2-CG1 4.36Å; F100-V134 HydrophobicContact CE2-CG2 3.77Å; F100-V134 HydrophobicContact CZ-CB 4Å; F100-V134 HydrophobicContact CZ-CG2 3.8Å; Q128-V134 PolarHBondContact NE2-O 3.34Å; V134-A138 HydrophobicContact CG1-CB 3.54Å; V134-L139 HydrophobicContact CB-CG 4.33Å; V134-L139 HydrophobicContact CG1-CG 4.06Å
135T98.2Very high97.7Very high80 Ų8051.5 Ų51.549%0.49131%0.305SS..PPolyproline II helixtrans-64.9154.7-179.1680000111.4S137 A138 L139T135-S137 PolarHBondContact O-N 2.88Å; T135-A138 PolarHBondContact O-N 3.45Å; T135-A138 WeakPolarHBondContact OG1-CB 3.47Å; T135-A138 PolarHBondContact OG1-N 3.4Å; T135-L139 PolarHBondContact O-N 2.86Å
136A97.8Very high97.6Very high11 Ų1156.2 Ų56.29%0.09133%0.327CS..Hα-helixtrans-56-38.5174.700000112.8A125 L139 A140 I155 P157A125-A136 HydrophobicContact CB-CB 3.96Å; A136-L139 PolarHBondContact O-N 3.01Å; A136-A140 WeakPolarHBondContact O-CB 3.2Å; A136-A140 PolarHBondContact O-N 3.3Å; A136-I155 HydrophobicContact CB-CD1 4.3Å; A136-I155 HydrophobicContact CB-CG1 4.02Å; A136-I155 HydrophobicContact CB-CG2 4.29Å; A136-I155 WeakPolarHBondContact O-CD1 3.34Å; A136-P157 HydrophobicContact CB-CB 4.09Å; A136-P157 HydrophobicContact CB-CG 4.22Å
137S97.8Very high97.4Very high73 Ų7359.1 Ų59.151%0.5135%0.345SS..Hα-helixtrans-64.1-47.3177.6-162.90000111.7T135 L139 A140 E141T135-S137 PolarHBondContact O-N 2.88Å; S137-L139 VanDerWaalsContact C-N 3.33Å; S137-L139 PolarHBondContact O-N 3.22Å; S137-A140 WeakPolarHBondContact O-CB 3.34Å; S137-A140 PolarHBondContact O-N 3.47Å; S137-A140 VanDerWaalsContact O-N 3.09Å; S137-E141 PolarHBondContact O-N 3.32Å
138A98Very high97.3Very high39 Ų3958 Ų5832%0.32234%0.341SS..Hα-helixtrans-66.2-35.718000000112.1V134 T135 E141 G142V134-A138 HydrophobicContact CG1-CB 3.54Å; T135-A138 PolarHBondContact O-N 3.45Å; T135-A138 WeakPolarHBondContact OG1-CB 3.47Å; T135-A138 PolarHBondContact OG1-N 3.4Å; A138-E141 PolarHBondContact O-N 3.3Å; A138-G142 PolarHBondContact O-N 2.82Å
139L98.2Very high97.1Very high3 Ų364.4 Ų64.42%0.01636%0.362CS..Hα-helixtrans-63.3-41.6170.1-81.3171.3000111.9I92 S94 F100 A125 V134 T135 A136 S137 E141 G142 L143 I155I92-L139 HydrophobicContact CG2-CD1 4.26Å; I92-L139 HydrophobicContact CG2-CD2 4.29Å; S94-L139 VanDerWaalsContact OG-CD1 3.23Å; S94-L139 WeakPolarHBondContact OG-CD1 3.47Å; F100-L139 HydrophobicContact CD1-CD2 4.37Å; F100-L139 HydrophobicContact CD2-CD2 4.08Å; F100-L139 HydrophobicContact CE1-CD2 3.97Å; F100-L139 HydrophobicContact CE2-CD2 3.62Å; F100-L139 HydrophobicContact CG-CD2 4.44Å; F100-L139 HydrophobicContact CZ-CD2 3.58Å; A125-L139 HydrophobicContact CB-CD1 3.8Å; V134-L139 HydrophobicContact CB-CG 4.33Å; V134-L139 HydrophobicContact CG1-CG 4.06Å; T135-L139 PolarHBondContact O-N 2.86Å; A136-L139 PolarHBondContact O-N 3.01Å; S137-L139 VanDerWaalsContact C-N 3.33Å; S137-L139 PolarHBondContact O-N 3.22Å; L139-E141 VanDerWaalsContact C-N 3.32Å; L139-E141 PolarHBondContact O-N 2.81Å; L139-G142 PolarHBondContact O-N 2.83Å; L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.35Å; L139-I155 HydrophobicContact CB-CD1 4.11Å
140A98.1Very high97Very high14 Ų1465 Ų6512%0.11637%0.366CS..Hα-helixtrans-64.6-37.4178.900000113.1A136 S137 Q144 L145 I155A136-A140 WeakPolarHBondContact O-CB 3.2Å; A136-A140 PolarHBondContact O-N 3.3Å; S137-A140 WeakPolarHBondContact O-CB 3.34Å; S137-A140 PolarHBondContact O-N 3.47Å; S137-A140 VanDerWaalsContact O-N 3.09Å; A140-Q144 PolarHBondContact O-N 3.12Å; A140-L145 HydrophobicContact CB-CB 4.35Å; A140-L145 HydrophobicContact CB-CD1 3.81Å; A140-L145 HydrophobicContact CB-CG 4.29Å; A140-L145 PolarHBondContact O-N 3.22Å; A140-I155 HydrophobicContact CB-CD1 4.47Å; A140-I155 HydrophobicContact CB-CG2 4.23Å
141E97.8Very high96.9Very high129 Ų12962.9 Ų62.960%0.60335%0.353SS*.Hα-helixtrans-68.8-51.6173.2-71.9169.6-158.800111.3S137 A138 L139 L143 Q144S137-E141 PolarHBondContact O-N 3.32Å; A138-E141 PolarHBondContact O-N 3.3Å; L139-E141 VanDerWaalsContact C-N 3.32Å; L139-E141 PolarHBondContact O-N 2.81Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.24Å; E141-Q144 PolarHBondContact O-N 3.19Å
142G97.2Very high96.8Very high62 Ų6261.1 Ų61.164%0.63934%0.335SS*.Hα-helixtrans-63.2-35.9-176.800000113.7A138 L139 Q144A138-G142 PolarHBondContact O-N 2.82Å; L139-G142 PolarHBondContact O-N 2.83Å; G142-Q144 VanDerWaalsContact C-N 3.31Å
143L97.3Very high96.8Very high25 Ų2560.7 Ų60.713%0.13133%0.326CS..THydrogen-bonded Turntrans-89.94175.1-59.7177.7000113.1I92 L139 E141 L145I92-L143 HydrophobicContact CD1-CD1 3.44Å; I92-L143 VanDerWaalsContact CD1-CD1 3.44Å; L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.35Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.24Å; L143-L145 HydrophobicContact CB-CD2 3.88Å; L143-L145 HydrophobicContact CB-CG 4.11Å; L143-L145 PolarHBondContact O-N 2.59Å; L143-L145 VanDerWaalsContact O-N 3.15Å
144Q96.9Very high96.7Very high118 Ų11862.6 Ų62.655%0.55133%0.331SS*.THydrogen-bonded Turntrans52.737.2178.7-55.2-178.2-8.900113.5A140 E141 G142 H146 T147A140-Q144 PolarHBondContact O-N 3.12Å; E141-Q144 PolarHBondContact O-N 3.19Å; G142-Q144 VanDerWaalsContact C-N 3.31Å; Q144-H146 PolarHBondContact O-N 3.43Å; Q144-T147 HydrophobicContact CB-CG2 3.98Å; Q144-T147 WeakPolarHBondContact O-CB 3.2Å; Q144-T147 WeakPolarHBondContact O-CG2 3.38Å; Q144-T147 PolarHBondContact O-N 3.24Å; Q144-T147 PolarHBondContact O-OG1 3.13Å
145L97.2Very high96.6Very high1 Ų162.6 Ų62.61%0.00533%0.33CS..G310 helixtrans-59.9-26.1-176.9-58.5-176.7000112.6L107 I123 A140 L143 T147 I148 W153 I155L107-L145 HydrophobicContact CD2-CD2 3.77Å; I123-L145 HydrophobicContact CD1-CD1 3.36Å; I123-L145 HydrophobicContact CD1-CD2 3.79Å; I123-L145 HydrophobicContact CD1-CG 4.18Å; A140-L145 HydrophobicContact CB-CB 4.35Å; A140-L145 HydrophobicContact CB-CD1 3.81Å; A140-L145 HydrophobicContact CB-CG 4.29Å; A140-L145 PolarHBondContact O-N 3.22Å; L143-L145 HydrophobicContact CB-CD2 3.88Å; L143-L145 HydrophobicContact CB-CG 4.11Å; L143-L145 PolarHBondContact O-N 2.59Å; L143-L145 VanDerWaalsContact O-N 3.15Å; L145-T147 PolarHBondContact O-N 3.18Å; L145-T147 VanDerWaalsContact O-N 3.08Å; L145-I148 HydrophobicContact CB-CD1 4.32Å; L145-I148 HydrophobicContact CD2-CD1 4.06Å; L145-I148 WeakPolarHBondContact O-CB 3.26Å; L145-I148 WeakPolarHBondContact O-CG1 3.18Å; L145-I148 PolarHBondContact O-N 3.47Å; L145-W153 HydrophobicContact CB-CE3 4.25Å; L145-W153 HydrophobicContact CB-CH2 3.7Å; L145-W153 HydrophobicContact CB-CZ2 3.97Å; L145-W153 HydrophobicContact CB-CZ3 3.84Å; L145-W153 HydrophobicContact CD1-CE3 4.33Å; L145-W153 HydrophobicContact CD1-CH2 4.47Å; L145-W153 HydrophobicContact CD1-CZ3 3.9Å; L145-W153 WeakPolarHBondContact O-CZ2 3.16Å; L145-W153 PolarHBondContact O-NE1 2.89Å; L145-I155 HydrophobicContact CD1-CB 4.44Å; L145-I155 HydrophobicContact CD1-CD1 3.93Å
146H95.1Very high96.5Very high98 Ų9861.2 Ų61.245%0.45432%0.318SS..G310 helixtrans-63.1-7.9173.370-87.9000113.8Q144 R149Q144-H146 PolarHBondContact O-N 3.43Å; H146-R149 PolarHBondContact O-NH1 3.08Å; H146-R149 PolarHBondContact O-NH2 2.96Å
147T95.9Very high96.4Very high65 Ų6563.4 Ų63.440%0.39933%0.331SS..G310 helixtrans-85.6-15.2173.364.30000112.6Q144 L145 R149Q144-T147 HydrophobicContact CB-CG2 3.98Å; Q144-T147 WeakPolarHBondContact O-CB 3.2Å; Q144-T147 WeakPolarHBondContact O-CG2 3.38Å; Q144-T147 PolarHBondContact O-N 3.24Å; Q144-T147 PolarHBondContact O-OG1 3.13Å; L145-T147 PolarHBondContact O-N 3.18Å; L145-T147 VanDerWaalsContact O-N 3.08Å; T147-R149 WeakPolarHBondContact O-CG 3.39Å; T147-R149 PolarHBondContact O-N 3.07Å
148I96.4Very high96.4Very high11 Ų1160 Ų606%0.05631%0.308CS..  trans-69.4124.7176.7-55.6168000108.8L111 L121 L145 R151L111-I148 HydrophobicContact CD1-CD1 3.49Å; L111-I148 VanDerWaalsContact CD1-CD1 3.49Å; L111-I148 HydrophobicContact CD1-CG1 3.83Å; L121-I148 HydrophobicContact CD2-CD1 4.2Å; L145-I148 HydrophobicContact CB-CD1 4.32Å; L145-I148 HydrophobicContact CD2-CD1 4.06Å; L145-I148 WeakPolarHBondContact O-CB 3.26Å; L145-I148 WeakPolarHBondContact O-CG1 3.18Å; L145-I148 PolarHBondContact O-N 3.47Å; I148-R151 HydrophobicContact CG2-CG 3.67Å
149R93.7Very high96.4Very high193 Ų19358.3 Ų58.373%0.72829%0.293SS*.  trans-133-18.4-173.6-66.8-70-178.9-101.7-8.3114.5H146 T147 R151H146-R149 PolarHBondContact O-NH1 3.08Å; H146-R149 PolarHBondContact O-NH2 2.96Å; T147-R149 WeakPolarHBondContact O-CG 3.39Å; T147-R149 PolarHBondContact O-N 3.07Å; R149-R151 VanDerWaalsContact C-N 3.33Å
150D93.9Very high96.2Very high83 Ų8358.2 Ų58.244%0.44429%0.293SS..SBendtrans-83.5-9.7-173.869.2-41.9000113.5
151R95.2Very high96Very high19 Ų1962.8 Ų62.87%0.07231%0.314CS..SBendtrans-149.1160.9-177.165.5-163.661.4-137.26.4111.8L111 L116 V119 I148 R149L111-R151 PolarHBondContact O-NH2 2.76Å; L116-R151 VanDerWaalsContact O-CZ 3.24Å; L116-R151 PolarHBondContact O-NH1 3.17Å; L116-R151 PolarHBondContact O-NH2 3.31Å; L116-R151 VanDerWaalsContact O-NH2 3.11Å; V119-R151 WeakPolarHBondContact O-CD 3.21Å; V119-R151 PolarHBondContact O-NH1 2.95Å; I148-R151 HydrophobicContact CG2-CG 3.67Å; R149-R151 VanDerWaalsContact C-N 3.33Å
152Q94.7Very high95.8Very high121 Ų12160.3 Ų60.357%0.56531%0.308SS*.  trans-70.2138.5164.1-66.7-173-9.100109.8L10 P120 L121L10-Q152 HydrophobicContact CD2-CB 4.31Å; P120-Q152 WeakPolarHBondContact CA-O 3.28Å; L121-Q152 PolarHBondContact N-O 3.26Å
153W96.4Very high95.5Very high77 Ų7759.4 Ų59.429%0.29229%0.289SS..EExtended strand (participates in β ladder)trans-141.2155.6171.770-90.3000112L121 L145 I155L121-W153 HydrophobicContact CB-CB 4Å; L121-W153 HydrophobicContact CD2-CB 4.43Å; L121-W153 HydrophobicContact CG-CB 4.38Å; L121-W153 CarbonylContact O-C 3.54Å; L121-W153 WeakPolarHBondContact O-CA 3.37Å; L145-W153 HydrophobicContact CB-CE3 4.25Å; L145-W153 HydrophobicContact CB-CH2 3.7Å; L145-W153 HydrophobicContact CB-CZ2 3.97Å; L145-W153 HydrophobicContact CB-CZ3 3.84Å; L145-W153 HydrophobicContact CD1-CE3 4.33Å; L145-W153 HydrophobicContact CD1-CH2 4.47Å; L145-W153 HydrophobicContact CD1-CZ3 3.9Å; L145-W153 WeakPolarHBondContact O-CZ2 3.16Å; L145-W153 PolarHBondContact O-NE1 2.89Å; W153-I155 HydrophobicContact CZ3-CB 4.26Å; W153-I155 HydrophobicContact CZ3-CG2 4.1Å
154Q95.6Very high95.2Very high64 Ų6465 Ų6530%0.29931%0.314SS..EExtended strand (participates in β ladder)trans-143.6146.6170.2178170.5-18.600109.7L121 L122 I123L121-Q154 PolarHBondContact O-N 2.93Å; L122-Q154 WeakPolarHBondContact CA-O 3.19Å; L122-Q154 HydrophobicContact CD1-CB 4.22Å; L122-Q154 HydrophobicContact CD1-CG 4.38Å; I123-Q154 PolarHBondContact N-O 3.22Å
155I96.7Very high94.9Very high28 Ų2861 Ų6114%0.14430%0.304CS..EExtended strand (participates in β ladder)trans-108.7137.9165.4-168.7160.9000110.1I123 A125 A136 L139 A140 L145 W153I123-I155 HydrophobicContact CB-CB 4.27Å; I123-I155 HydrophobicContact CB-CD1 4.36Å; I123-I155 HydrophobicContact CB-CG1 4.02Å; I123-I155 HydrophobicContact CG2-CD1 3.88Å; I123-I155 HydrophobicContact CG2-CG1 3.94Å; I123-I155 CarbonylContact O-C 3.49Å; I123-I155 WeakPolarHBondContact O-CA 3.34Å; A125-I155 HydrophobicContact CB-CD1 4.25Å; A125-I155 HydrophobicContact CB-CG1 4.21Å; A136-I155 HydrophobicContact CB-CD1 4.3Å; A136-I155 HydrophobicContact CB-CG1 4.02Å; A136-I155 HydrophobicContact CB-CG2 4.29Å; A136-I155 WeakPolarHBondContact O-CD1 3.34Å; L139-I155 HydrophobicContact CB-CD1 4.11Å; A140-I155 HydrophobicContact CB-CD1 4.47Å; A140-I155 HydrophobicContact CB-CG2 4.23Å; L145-I155 HydrophobicContact CD1-CB 4.44Å; L145-I155 HydrophobicContact CD1-CD1 3.93Å; W153-I155 HydrophobicContact CZ3-CB 4.26Å; W153-I155 HydrophobicContact CZ3-CG2 4.1Å
156Q96Very high94.4Very high52 Ų5261 Ų6124%0.24330%0.304CS..EExtended strand (participates in β ladder)trans-130.3119.6-178.317959.956.300109.7L122 I123 F124 A125L122-Q156 HydrophobicContact CD1-CB 4.23Å; I123-Q156 PolarHBondContact O-N 3.18Å; F124-Q156 HydrophobicContact CD1-CB 4.06Å; F124-Q156 HydrophobicContact CD1-CG 4.18Å; F124-Q156 HydrophobicContact CE1-CB 4.13Å; F124-Q156 HydrophobicContact CE1-CG 3.93Å; A125-Q156 PolarHBondContact N-O 2.81Å
157P97Very high93.2Very high56 Ų5659.9 Ų59.936%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-65.2135.9168.227.2-33.5000110.1Q128 A136Q128-P157 HydrophobicContact CG-CB 3.87Å; A136-P157 HydrophobicContact CB-CB 4.09Å; A136-P157 HydrophobicContact CB-CG 4.22Å
158C97Very high91Very high3 Ų360.3 Ų60.32%0.0230%0.3CS..  trans-153.6169.5177.473.80000114F124 A125 N126 K127 Q128 E164 V166F124-C158 HydrophobicContact CD1-CB 3.88Å; F124-C158 WeakPolarHBondContact CD1-SG 3.23Å; F124-C158 HydrophobicContact CE1-CB 4.26Å; A125-C158 PolarHBondContact O-N 2.84Å; N126-C158 CarbonylContact C-O 3.55Å; N126-C158 WeakPolarHBondContact CA-O 3.42Å; K127-C158 PolarHBondContact N-O 3.44Å; K127-C158 VanDerWaalsContact N-O 3.13Å; Q128-C158 WeakPolarHBondContact CB-O 3.22Å; Q128-C158 WeakPolarHBondContact CG-O 3.45Å; Q128-C158 PolarHBondContact N-O 3.23Å; Q128-C158 VanDerWaalsContact N-O 3.08Å; C158-E164 CarbonylContact C-O 3.53Å; C158-E164 WeakPolarHBondContact CA-O 3.3Å; C158-E164 VanDerWaalsContact CB-O 3.26Å; C158-E164 WeakPolarHBondContact CB-O 3.3Å; C158-V166 HydrophobicContact CB-CG2 3.7Å
159S97Very high88.1Confident2 Ų270.6 Ų70.61%0.01434%0.338CS..  trans-127.7120.4160.1175.10000109.5N126 D129 I161 T162 L163 E164N126-S159 WeakPolarHBondContact OD1-CA 3.4Å; D129-S159 VanDerWaalsContact CG-OG 3.27Å; D129-S159 WeakPolarHBondContact OD1-CB 3.17Å; D129-S159 PolarHBondContact OD1-OG 2.81Å; S159-I161 PolarHBondContact O-N 2.87Å; S159-I161 PolarHBondContact OG-N 3.32Å; S159-T162 VanDerWaalsContact CB-OG1 3.3Å; S159-T162 WeakPolarHBondContact CB-OG1 3.34Å; S159-T162 PolarHBondContact OG-N 2.85Å; S159-L163 WeakPolarHBondContact O-CA 3.25Å; S159-L163 PolarHBondContact O-N 2.89Å; S159-E164 PolarHBondContact N-O 3.28Å
160A95.3Very high85Confident2 Ų267.9 Ų67.92%0.01734%0.343CS..THydrogen-bonded Turntrans-66.6-22.8174.400000112.6T32 L33 N126 L163T32-A160 HydrophobicContact CG2-CB 3.85Å; L33-A160 HydrophobicContact CB-CB 3.92Å; N126-A160 PolarHBondContact OD1-N 2.82Å; A160-L163 WeakPolarHBondContact O-CD2 3.13Å
161I94.3Very high82Confident109 Ų10974.3 Ų74.356%0.55938%0.375SS*.THydrogen-bonded Turntrans-79.4-46179.6-65.8176.6000110.4T32 I42 S159T32-I161 HydrophobicContact CG2-CG1 4.33Å; I42-I161 HydrophobicContact CD1-CG2 4.48Å; S159-I161 PolarHBondContact O-N 2.87Å; S159-I161 PolarHBondContact OG-N 3.32Å
162T92.3Very high81.4Confident78 Ų7877.1 Ų77.148%0.47939%0.39SS..THydrogen-bonded Turntrans-89.7-12.2-178.973.60000113.2D129 S159 E164D129-T162 HydrophobicContact CB-CG2 4.46Å; S159-T162 VanDerWaalsContact CB-OG1 3.3Å; S159-T162 WeakPolarHBondContact CB-OG1 3.34Å; S159-T162 PolarHBondContact OG-N 2.85Å; T162-E164 PolarHBondContact O-N 2.59Å; T162-E164 VanDerWaalsContact OG1-CB 3.3Å; T162-E164 WeakPolarHBondContact OG1-CB 3.31Å; T162-E164 PolarHBondContact OG1-N 3.28Å
163L91.1Very high80.7Confident43 Ų4374.7 Ų74.723%0.22538%0.381CS..  trans62.79.4-171.1-52.2178.3000114.9S159 A160 V166 K167S159-L163 WeakPolarHBondContact O-CA 3.25Å; S159-L163 PolarHBondContact O-N 2.89Å; A160-L163 WeakPolarHBondContact O-CD2 3.13Å; L163-V166 PolarHBondContact O-N 3.22Å; L163-V166 VanDerWaalsContact O-N 3.12Å; L163-K167 HydrophobicContact CD1-CD 3.99Å; L163-K167 PolarHBondContact O-N 3.18Å
164E92.2Very high79.8Confident143 Ų14374.6 Ų74.667%0.66839%0.386SS*.THydrogen-bonded Turntrans-61.9135.6171.3-173.4171.9-173.600110.4C158 S159 T162 V166C158-E164 CarbonylContact C-O 3.53Å; C158-E164 WeakPolarHBondContact CA-O 3.3Å; C158-E164 VanDerWaalsContact CB-O 3.26Å; C158-E164 WeakPolarHBondContact CB-O 3.3Å; S159-E164 PolarHBondContact N-O 3.28Å; T162-E164 PolarHBondContact O-N 2.59Å; T162-E164 VanDerWaalsContact OG1-CB 3.3Å; T162-E164 WeakPolarHBondContact OG1-CB 3.31Å; T162-E164 PolarHBondContact OG1-N 3.28Å; E164-V166 PolarHBondContact O-N 2.99Å
165G90.7Very high78.9Confident33 Ų3375.2 Ų75.234%0.3439%0.391SS..THydrogen-bonded Turntrans75-7.6-17500000115
166V85.3Confident77.8Confident0 Ų078.2 Ų78.20%041%0.406CS..THydrogen-bonded Turntrans-102.1-55.2-179.1-174.60000111.5I3 L33 L37 F124 C158 L163 E164I3-V166 WeakPolarHBondContact CB-O 3.29Å; I3-V166 VanDerWaalsContact CG2-O 3.28Å; I3-V166 WeakPolarHBondContact CG2-O 3.33Å; I3-V166 PolarHBondContact N-O 3.34Å; L33-V166 HydrophobicContact CD1-CG2 4.12Å; L33-V166 HydrophobicContact CG-CG1 4.37Å; L37-V166 HydrophobicContact CD2-CG1 3.49Å; L37-V166 VanDerWaalsContact CD2-CG1 3.49Å; L37-V166 HydrophobicContact CG-CG1 3.98Å; F124-V166 HydrophobicContact CE1-CG2 4.39Å; C158-V166 HydrophobicContact CB-CG2 3.7Å; L163-V166 PolarHBondContact O-N 3.22Å; L163-V166 VanDerWaalsContact O-N 3.12Å; E164-V166 PolarHBondContact O-N 2.99Å
167K69.9Low76.5Confident76 Ų7679.9 Ų79.933%0.3342%0.417SS..SBendtrans-94.1151.2-179.3-75.6-173.5175.4174.80112.2G36 L37 S39 L163 R169G36-K167 VanDerWaalsContact O-CE 3.22Å; G36-K167 WeakPolarHBondContact O-CE 3.41Å; G36-K167 PolarHBondContact O-NZ 2.83Å; L37-K167 HydrophobicContact CD2-CG 4.37Å; L37-K167 WeakPolarHBondContact O-CE 3.47Å; L37-K167 PolarHBondContact O-NZ 3.03Å; S39-K167 PolarHBondContact OG-NZ 2.77Å; L163-K167 HydrophobicContact CD1-CD 3.99Å; L163-K167 PolarHBondContact O-N 3.18Å; K167-R169 PolarHBondContact O-N 3.43Å
168V50.7Low75.1Confident73 Ų7381.6 Ų81.644%0.44242%0.421SS..  trans-65.5128.3163.4-160.20000106G2 V170G2-V168 VanDerWaalsContact N-CG2 3.31Å; V168-V170 VanDerWaalsContact C-N 3.35Å; V168-V170 PolarHBondContact O-N 3Å
169R34.1Very low73.4Confident227 Ų22787.7 Ų87.786%0.85745%0.452SS*.  trans-62.4104.7156-78.5-172178.4-165.21.5106.5K167 I171K167-R169 PolarHBondContact O-N 3.43Å; R169-I171 VanDerWaalsContact C-N 3.34Å; R169-I171 HydrophobicContact CB-CG1 4.43Å; R169-I171 PolarHBondContact O-N 3.14Å
170V29.5Very low71.4Confident136 Ų13694.8 Ų94.882%0.82449%0.488SS*.  trans-72102.9159.6-172.60000103.9V168V168-V170 VanDerWaalsContact C-N 3.35Å; V168-V170 PolarHBondContact O-N 3Å
171I31.8Very low69.3Low218 Ų218103.3 Ų103.3100%1.11853%0.531SS*.  trans-82.70163.5-40.6175.4000106R169R169-I171 VanDerWaalsContact C-N 3.34Å; R169-I171 HydrophobicContact CB-CG1 4.43Å; R169-I171 PolarHBondContact O-N 3.14Å

Retrieved 171 of 171 residues in 84.2 ms (Link to these results)

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