A0A077ZQX1_TRITR Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A077ZQX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.7Low86.5Confident146 Ų14666.9 Ų66.972%0.71933%0.328SS*.  0137.60-89-168.5-10300107.8Q4 I42M1-Q4 HydrophobicContact CB-CG 4.38Å; M1-Q4 WeakPolarHBondContact O-CG 3.34Å; M1-I42 HydrophobicContact CE-CB 4.23Å; M1-I42 HydrophobicContact CE-CG1 3.84Å; M1-I42 HydrophobicContact CE-CG2 4.44Å; M1-I42 HydrophobicContact SD-CB 3.91Å; M1-I42 HydrophobicContact SD-CD1 3.91Å; M1-I42 HydrophobicContact SD-CG1 3.52Å; M1-I42 VanDerWaalsContact SD-CG1 3.52Å; M1-I42 HydrophobicContact SD-CG2 3.61Å
2E84.5Confident86.8Confident69 Ų6961.8 Ų61.832%0.32231%0.305SS..  trans-84.4-42.5-169.7-170.2168.4-177.700113.5W105 H106 C107E2-W105 HydrophobicContact CB-CE3 4.14Å; E2-W105 HydrophobicContact CB-CZ3 4.31Å; E2-W105 HydrophobicContact CG-CE3 3.82Å; E2-W105 HydrophobicContact CG-CZ3 4.15Å; E2-W105 VanDerWaalsContact OE1-CA 3.32Å; E2-W105 WeakPolarHBondContact OE1-CA 3.19Å; E2-H106 VanDerWaalsContact CD-N 3.31Å; E2-H106 IonicContact OE1-CD2 3.35Å; E2-H106 PolarHBondContact OE1-CD2 3.41Å; E2-H106 IonicContact OE1-CG 3.65Å; E2-H106 PolarHBondContact OE1-N 3.18Å; E2-H106 PolarHBondContact OE2-N 2.92Å; E2-H106 VanDerWaalsContact OE2-N 3.09Å; E2-C107 WeakPolarHBondContact OE2-CB 3.31Å; E2-C107 PolarHBondContact OE2-N 2.86Å; E2-C107 PolarHBondContact OE2-SG 3Å
3F86.6Confident86.9Confident98 Ų9857.5 Ų57.543%0.4329%0.286SS..SBendtrans-79.7-42.8-176.9-169.9-110.2000114.6P5 W105 F153F3-P5 HydrophobicContact CD1-CB 3.87Å; F3-P5 HydrophobicContact CD1-CG 4.28Å; F3-P5 HydrophobicContact CE1-CB 3.84Å; F3-W105 HydrophobicContact CB-CH2 3.64Å; F3-W105 HydrophobicContact CB-CZ3 3.59Å; F3-W105 AromaticContact CD2-CH2 3.38Å; F3-W105 HydrophobicContact CD2-CH2 3.38Å; F3-W105 HydrophobicContact CD2-CZ2 4.42Å; F3-W105 AromaticContact CD2-CZ3 3.99Å; F3-W105 HydrophobicContact CD2-CZ3 3.99Å; F3-W105 HydrophobicContact CE2-CH2 4.32Å; F3-W105 AromaticContact CG-CH2 3.76Å; F3-W105 HydrophobicContact CG-CH2 3.76Å; F3-W105 HydrophobicContact CG-CZ3 4.2Å; F3-F153 HydrophobicContact CD1-CB 3.87Å; F3-F153 HydrophobicContact CD1-CD1 4.15Å; F3-F153 AromaticContact CD1-CD2 3.87Å; F3-F153 HydrophobicContact CD1-CD2 3.87Å; F3-F153 HydrophobicContact CD1-CE2 4.43Å; F3-F153 AromaticContact CD1-CG 3.7Å; F3-F153 HydrophobicContact CD1-CG 3.7Å; F3-F153 HydrophobicContact CE1-CB 3.09Å; F3-F153 HydrophobicContact CE1-CD1 4.18Å; F3-F153 AromaticContact CE1-CD2 3.88Å; F3-F153 HydrophobicContact CE1-CD2 3.88Å; F3-F153 AromaticContact CE1-CG 3.48Å; F3-F153 HydrophobicContact CE1-CG 3.48Å; F3-F153 VanDerWaalsContact CE1-CG 3.48Å; F3-F153 HydrophobicContact CZ-CB 3.72Å; F3-F153 HydrophobicContact CZ-CG 4.36Å
4Q86.2Confident87Confident148 Ų14853.7 Ų53.769%0.69227%0.267SS*.  trans52.166.5179.8-59.1-176.8-3600114.4M1M1-Q4 HydrophobicContact CB-CG 4.38Å; M1-Q4 WeakPolarHBondContact O-CG 3.34Å
5P87.3Confident87Confident15 Ų1551.7 Ų51.710%0.09726%0.258CS..  trans-68.9145.5-178.131.3-35.2000112.8F3 V8 I42 F153F3-P5 HydrophobicContact CD1-CB 3.87Å; F3-P5 HydrophobicContact CD1-CG 4.28Å; F3-P5 HydrophobicContact CE1-CB 3.84Å; P5-V8 HydrophobicContact CB-CG2 4.15Å; P5-V8 HydrophobicContact CG-CG2 3.68Å; P5-I42 HydrophobicContact CG-CG2 3.85Å; P5-F153 HydrophobicContact CB-CB 4Å; P5-F153 HydrophobicContact CB-CD1 3.36Å; P5-F153 HydrophobicContact CB-CE1 4.11Å; P5-F153 HydrophobicContact CB-CG 4Å; P5-F153 HydrophobicContact CG-CD1 3.54Å; P5-F153 HydrophobicContact CG-CE1 3.75Å
6D87.6Confident87.1Confident118 Ų11848.5 Ų48.563%0.63124%0.242SC*.SBendtrans-80.9-23.4170.8-74.6-53.5000112.8R46D6-R46 WeakPolarHBondContact O-CD 3.49Å
7L88.3Confident87.1Confident48 Ų4845.6 Ų45.625%0.25123%0.227SC..SBendtrans-150.8133.3-178.8176.758.4000110F9 R46 V48L7-F9 HydrophobicContact CD1-CE2 4.46Å; L7-F9 HydrophobicContact CD2-CD2 4.24Å; L7-F9 HydrophobicContact CD2-CE2 3.27Å; L7-F9 HydrophobicContact CD2-CZ 3.53Å; L7-F9 HydrophobicContact CG-CD2 4.05Å; L7-F9 HydrophobicContact CG-CE2 3.55Å; L7-F9 HydrophobicContact CG-CZ 4.09Å; L7-R46 HydrophobicContact CD1-CB 3.94Å; L7-R46 WeakPolarHBondContact CD1-O 3.25Å; L7-V48 HydrophobicContact CD1-CG2 4.15Å
8V90.1Very high87.1Confident0 Ų046.2 Ų46.20%023%0.234CC..EExtended strand (participates in β ladder)trans-111.4117.8179.4-178.60000109.7P5 V10 A43 R46 L47 V48 V151 F153P5-V8 HydrophobicContact CB-CG2 4.15Å; P5-V8 HydrophobicContact CG-CG2 3.68Å; V8-V10 HydrophobicContact CG1-CG2 4.38Å; V8-A43 HydrophobicContact CB-CB 3.71Å; V8-A43 HydrophobicContact CG2-CB 3.43Å; V8-A43 VanDerWaalsContact CG2-CB 3.43Å; V8-R46 PolarHBondContact N-O 3.25Å; V8-L47 HydrophobicContact CB-CG 4.43Å; V8-L47 HydrophobicContact CG1-CG 4.44Å; V8-L47 WeakPolarHBondContact O-CA 3.38Å; V8-V48 PolarHBondContact O-N 3.04Å; V8-V151 HydrophobicContact CG1-CG1 3.54Å; V8-F153 HydrophobicContact CG1-CD1 4.5Å; V8-F153 HydrophobicContact CG1-CE1 4.21Å; V8-F153 HydrophobicContact CG2-CD1 3.99Å; V8-F153 HydrophobicContact CG2-CE1 3.97Å
9F90.9Very high86.9Confident71 Ų7146.5 Ų46.531%0.31125%0.249SC..EExtended strand (participates in β ladder)trans-99125.9169.7-73.9-85.2000110.2L7 V48 V151 S152 L154L7-F9 HydrophobicContact CD1-CE2 4.46Å; L7-F9 HydrophobicContact CD2-CD2 4.24Å; L7-F9 HydrophobicContact CD2-CE2 3.27Å; L7-F9 HydrophobicContact CD2-CZ 3.53Å; L7-F9 HydrophobicContact CG-CD2 4.05Å; L7-F9 HydrophobicContact CG-CE2 3.55Å; L7-F9 HydrophobicContact CG-CZ 4.09Å; F9-V48 CarbonylContact C-O 3.51Å; F9-V48 WeakPolarHBondContact CA-O 3.47Å; F9-V48 HydrophobicContact CD1-CB 3.83Å; F9-V48 HydrophobicContact CD1-CG1 3.99Å; F9-V48 HydrophobicContact CE1-CB 3.95Å; F9-V48 HydrophobicContact CE1-CG1 4Å; F9-V48 HydrophobicContact CE1-CG2 4.23Å; F9-V151 CarbonylContact O-C 3.6Å; F9-V151 VanDerWaalsContact O-CA 3.24Å; F9-V151 WeakPolarHBondContact O-CA 3.18Å; F9-S152 PolarHBondContact N-O 3.48Å; F9-S152 PolarHBondContact O-N 3Å; F9-L154 HydrophobicContact CD2-CD1 4.34Å; F9-L154 HydrophobicContact CD2-CG 4.3Å; F9-L154 HydrophobicContact CE2-CD1 3.57Å; F9-L154 HydrophobicContact CE2-CG 3.98Å; F9-L154 HydrophobicContact CZ-CD1 4.35Å
10V91.3Very high86.7Confident2 Ų244.8 Ų44.81%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-107.4112.2171.1173.30000108.9V8 A12 M36 L39 L47 V48 V49 A50 I149 V151V8-V10 HydrophobicContact CG1-CG2 4.38Å; V10-A12 HydrophobicContact CG1-CB 4.26Å; V10-A12 PolarHBondContact O-N 2.93Å; V10-M36 HydrophobicContact CG1-CE 3.98Å; V10-M36 HydrophobicContact CG2-CE 4.17Å; V10-M36 HydrophobicContact CG2-SD 4.36Å; V10-L39 HydrophobicContact CG2-CD1 3.66Å; V10-L47 HydrophobicContact CG2-CD2 4.28Å; V10-V48 PolarHBondContact N-O 3.38Å; V10-V49 HydrophobicContact CB-CB 4.49Å; V10-V49 HydrophobicContact CB-CG1 4.32Å; V10-V49 HydrophobicContact CB-CG2 4.23Å; V10-V49 HydrophobicContact CG1-CG1 4.12Å; V10-V49 CarbonylContact O-C 3.6Å; V10-V49 WeakPolarHBondContact O-CA 3.29Å; V10-A50 PolarHBondContact O-N 3.28Å; V10-I149 HydrophobicContact CG1-CG2 3.62Å; V10-I149 HydrophobicContact CG2-CG2 4.44Å; V10-V151 HydrophobicContact CG2-CG2 4.44Å
11S91.6Very high86.4Confident21 Ų2148 Ų4815%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-79.4103.7162164.30000107.6G13 E52 K150S11-G13 PolarHBondContact O-N 3.35Å; S11-E52 VanDerWaalsContact CB-OE1 3.31Å; S11-E52 WeakPolarHBondContact CB-OE1 3.27Å; S11-E52 WeakPolarHBondContact OG-CG 3.41Å; S11-E52 PolarHBondContact OG-OE1 3.3Å; S11-K150 WeakPolarHBondContact CB-O 3.47Å; S11-K150 PolarHBondContact N-O 3.44Å; S11-K150 PolarHBondContact O-N 3.46Å; S11-K150 VanDerWaalsContact O-N 3.07Å
12A90.1Very high87.1Confident6 Ų648.1 Ų48.15%0.0527%0.267CS..EExtended strand (participates in β ladder)trans-92.494.1-174.900000110V10 F14 V49 A50 E52V10-A12 HydrophobicContact CG1-CB 4.26Å; V10-A12 PolarHBondContact O-N 2.93Å; A12-F14 HydrophobicContact CB-CE2 4.46Å; A12-F14 HydrophobicContact CB-CZ 4.18Å; A12-V49 HydrophobicContact CB-CG1 3.6Å; A12-A50 PolarHBondContact N-O 3.28Å; A12-E52 PolarHBondContact O-N 3.18Å
13G88.2Confident86.5Confident5 Ų545.1 Ų45.15%0.05225%0.254CS..EExtended strand (participates in β ladder)trans-92.7125.9163.900000110S11 D15 S53 I148S11-G13 PolarHBondContact O-N 3.35Å; G13-D15 VanDerWaalsContact C-N 3.34Å; G13-S53 VanDerWaalsContact CA-OG 3.29Å; G13-S53 WeakPolarHBondContact CA-OG 3.4Å; G13-I148 VanDerWaalsContact O-O 3.12Å
14F89Confident86.3Confident5 Ų548.2 Ų48.22%0.02228%0.275CS..  trans-10027.2174.9-57.3-66.1000111.9A12 A16 A17 F32 L51 S53 L60 F63 V64 V67A12-F14 HydrophobicContact CB-CE2 4.46Å; A12-F14 HydrophobicContact CB-CZ 4.18Å; F14-A16 VanDerWaalsContact C-N 3.34Å; F14-A17 WeakPolarHBondContact O-CB 3.32Å; F14-A17 PolarHBondContact O-N 3.1Å; F14-F32 AromaticContact CD1-CD1 3.67Å; F14-F32 HydrophobicContact CD1-CD1 3.67Å; F14-F32 HydrophobicContact CD1-CD2 4.27Å; F14-F32 AromaticContact CD1-CE1 3.6Å; F14-F32 HydrophobicContact CD1-CE1 3.6Å; F14-F32 HydrophobicContact CD1-CE2 4.19Å; F14-F32 HydrophobicContact CD1-CG 4Å; F14-F32 AromaticContact CD1-CZ 3.87Å; F14-F32 HydrophobicContact CD1-CZ 3.87Å; F14-F32 HydrophobicContact CE1-CB 4.29Å; F14-F32 AromaticContact CE1-CD1 3.68Å; F14-F32 HydrophobicContact CE1-CD1 3.68Å; F14-F32 HydrophobicContact CE1-CE1 4.09Å; F14-F32 AromaticContact CE1-CG 3.94Å; F14-F32 HydrophobicContact CE1-CG 3.94Å; F14-L51 HydrophobicContact CD2-CD1 3.63Å; F14-L51 HydrophobicContact CE2-CD1 3.56Å; F14-S53 PolarHBondContact N-O 2.99Å; F14-L60 HydrophobicContact CD2-CD1 3.35Å; F14-L60 HydrophobicContact CE2-CD1 3.69Å; F14-L60 HydrophobicContact CG-CD1 4.39Å; F14-F63 HydrophobicContact CB-CD2 4.03Å; F14-F63 HydrophobicContact CB-CG 4.24Å; F14-F63 HydrophobicContact CD1-CB 3.5Å; F14-F63 HydrophobicContact CD1-CD1 4.23Å; F14-F63 HydrophobicContact CD1-CD2 4.45Å; F14-F63 AromaticContact CD1-CG 3.83Å; F14-F63 HydrophobicContact CD1-CG 3.83Å; F14-F63 HydrophobicContact CD2-CB 4.12Å; F14-F63 HydrophobicContact CE1-CB 3.56Å; F14-F63 HydrophobicContact CE1-CG 4.35Å; F14-F63 HydrophobicContact CE2-CB 4.12Å; F14-F63 HydrophobicContact CG-CB 3.79Å; F14-F63 HydrophobicContact CG-CD2 4.22Å; F14-F63 HydrophobicContact CG-CG 4.03Å; F14-F63 HydrophobicContact CZ-CB 3.86Å; F14-V64 HydrophobicContact CE2-CG2 3.99Å; F14-V64 HydrophobicContact CZ-CG2 4.42Å; F14-V67 HydrophobicContact CE1-CG2 4.19Å; F14-V67 HydrophobicContact CZ-CG2 4.14Å
15D86.8Confident86.4Confident24 Ų2444.1 Ų44.113%0.12826%0.257CS..THydrogen-bonded Turntrans-73.4-25.2176.24824000112.6G13 A17 C20 G23 S53 N147G13-D15 VanDerWaalsContact C-N 3.34Å; D15-A17 PolarHBondContact O-N 3.36Å; D15-C20 WeakPolarHBondContact O-CB 3.48Å; D15-C20 PolarHBondContact O-SG 2.67Å; D15-G23 WeakPolarHBondContact O-CA 3.32Å; D15-G23 PolarHBondContact O-N 3.38Å; D15-S53 PolarHBondContact OD2-OG 3.26Å; D15-N147 VanDerWaalsContact OD1-C 3.24Å; D15-N147 VanDerWaalsContact OD1-CA 3.31Å; D15-N147 WeakPolarHBondContact OD1-CA 3.39Å
16A88Confident86.4Confident0 Ų054.2 Ų54.20%029%0.293CS..THydrogen-bonded Turntrans-70.4-9.5170.200000116F14 M25 V27 F32 N147 I148F14-A16 VanDerWaalsContact C-N 3.34Å; A16-M25 HydrophobicContact CB-CB 4.04Å; A16-M25 HydrophobicContact CB-CE 3.43Å; A16-M25 VanDerWaalsContact CB-CE 3.43Å; A16-M25 HydrophobicContact CB-CG 4.48Å; A16-M25 HydrophobicContact CB-SD 3.71Å; A16-M25 CarbonylContact O-C 3.47Å; A16-M25 VanDerWaalsContact O-CB 3.27Å; A16-M25 WeakPolarHBondContact O-CB 3.27Å; A16-V27 HydrophobicContact CB-CB 4.32Å; A16-V27 HydrophobicContact CB-CG2 3.87Å; A16-V27 WeakPolarHBondContact O-CB 3.18Å; A16-V27 PolarHBondContact O-N 3.36Å; A16-F32 HydrophobicContact CB-CZ 4.42Å; A16-N147 WeakPolarHBondContact CB-O 3.38Å; A16-I148 HydrophobicContact CB-CG1 3.86Å
17A87.4Confident86.5Confident0 Ų049.9 Ų49.90%027%0.271CS..BIsolated β-bridgetrans-54.3141.8-179.300000112.6F14 D15 G19 C20 V27 F63F14-A17 WeakPolarHBondContact O-CB 3.32Å; F14-A17 PolarHBondContact O-N 3.1Å; D15-A17 PolarHBondContact O-N 3.36Å; A17-G19 PolarHBondContact O-N 3.03Å; A17-C20 HydrophobicContact CB-CB 4.29Å; A17-C20 VanDerWaalsContact O-CB 3.31Å; A17-C20 WeakPolarHBondContact O-CB 3.45Å; A17-C20 PolarHBondContact O-N 2.89Å; A17-C20 VanDerWaalsContact O-N 3.1Å; A17-V27 WeakPolarHBondContact CA-O 3.17Å; A17-F63 HydrophobicContact CB-CD1 4.48Å; A17-F63 HydrophobicContact CB-CD2 4.26Å; A17-F63 HydrophobicContact CB-CE1 3.66Å; A17-F63 HydrophobicContact CB-CE2 3.36Å; A17-F63 HydrophobicContact CB-CZ 3.09Å
18V87.3Confident86.6Confident56 Ų5648.9 Ų48.934%0.33927%0.268SS..THydrogen-bonded Turntrans-53.8131.2161.265.50000110C20 V27 W59V18-C20 VanDerWaalsContact C-N 3.34Å; V18-V27 PolarHBondContact N-O 3.43Å; V18-W59 HydrophobicContact CG1-CZ3 4.49Å
19G82.6Confident86.6Confident51 Ų5149.5 Ų49.553%0.52627%0.272SS..THydrogen-bonded Turntrans86.6-5.1-179.100000115.1A17A17-G19 PolarHBondContact O-N 3.03Å
20C84Confident86.7Confident13 Ų1348.8 Ų48.89%0.08827%0.27CS..  trans-69.8127.3170.3-175.80000110.4D15 A17 V18 L22 C55D15-C20 WeakPolarHBondContact O-CB 3.48Å; D15-C20 PolarHBondContact O-SG 2.67Å; A17-C20 HydrophobicContact CB-CB 4.29Å; A17-C20 VanDerWaalsContact O-CB 3.31Å; A17-C20 WeakPolarHBondContact O-CB 3.45Å; A17-C20 PolarHBondContact O-N 2.89Å; A17-C20 VanDerWaalsContact O-N 3.1Å; V18-C20 VanDerWaalsContact C-N 3.34Å; C20-L22 VanDerWaalsContact C-N 3.26Å; C20-L22 PolarHBondContact O-N 3.34Å; C20-L22 PolarHBondContact SG-N 3.48Å; C20-L22 VanDerWaalsContact SG-N 3.44Å; C20-C55 HydrophobicContact CB-CB 4.03Å
21P80.6Confident86.8Confident113 Ų11349.4 Ų49.473%0.73428%0.275SS*.SBendtrans-74.4-16.9177.329-34.2000113.2
22L80.3Confident86.8Confident148 Ų14848.6 Ų48.678%0.77527%0.269SS*.SBendtrans-93.9-39.1-174.7-60.3177.8000112.6C20C20-L22 VanDerWaalsContact C-N 3.26Å; C20-L22 PolarHBondContact O-N 3.34Å; C20-L22 PolarHBondContact SG-N 3.48Å; C20-L22 VanDerWaalsContact SG-N 3.44Å
23G73.4Confident86.9Confident5 Ų548.3 Ų48.35%0.05227%0.266CS..  trans-97.5115.7177.200000110.2D15 M25D15-G23 WeakPolarHBondContact O-CA 3.32Å; D15-G23 PolarHBondContact O-N 3.38Å; G23-M25 PolarHBondContact O-N 2.97Å
24N81.7Confident87.2Confident164 Ų16451.1 Ų51.188%0.87728%0.276SS*.  trans-74.442.9176.5-70-50.9000112.2
25M87.1Confident87.4Confident61 Ų6153.8 Ų53.830%0.329%0.287SS..  trans-119.4170.2-179.2-69.7-173.3-91.100110.1A16 G23 N147 I148A16-M25 HydrophobicContact CB-CB 4.04Å; A16-M25 HydrophobicContact CB-CE 3.43Å; A16-M25 VanDerWaalsContact CB-CE 3.43Å; A16-M25 HydrophobicContact CB-CG 4.48Å; A16-M25 HydrophobicContact CB-SD 3.71Å; A16-M25 CarbonylContact O-C 3.47Å; A16-M25 VanDerWaalsContact O-CB 3.27Å; A16-M25 WeakPolarHBondContact O-CB 3.27Å; G23-M25 PolarHBondContact O-N 2.97Å; M25-N147 HydrophobicContact CE-CB 3.62Å; M25-N147 WeakPolarHBondContact CE-O 3.36Å; M25-I148 HydrophobicContact CE-CD1 4.46Å; M25-I148 HydrophobicContact CE-CG1 4Å; M25-I148 HydrophobicContact SD-CD1 3.8Å; M25-I148 HydrophobicContact SD-CG1 3.96Å
26R88.2Confident87.7Confident227 Ų22752.8 Ų52.886%0.85728%0.282SS*.  trans-135.440-173.8-62-174.4176.2-167.3-1.7111.5S28R26-S28 PolarHBondContact O-N 2.97Å
27V89.1Confident87.9Confident27 Ų2758.5 Ų58.516%0.16431%0.307CS..BIsolated β-bridgetrans-72.7123.8178.9-177.20000108.7A16 A17 V18 A31 F32 F35A16-V27 HydrophobicContact CB-CB 4.32Å; A16-V27 HydrophobicContact CB-CG2 3.87Å; A16-V27 WeakPolarHBondContact O-CB 3.18Å; A16-V27 PolarHBondContact O-N 3.36Å; A17-V27 WeakPolarHBondContact CA-O 3.17Å; V18-V27 PolarHBondContact N-O 3.43Å; V27-A31 HydrophobicContact CG1-CB 3.65Å; V27-F32 HydrophobicContact CB-CE2 3.99Å; V27-F32 HydrophobicContact CB-CZ 4.23Å; V27-F32 HydrophobicContact CG1-CD2 3.97Å; V27-F32 HydrophobicContact CG1-CE2 3.54Å; V27-F32 HydrophobicContact CG1-CZ 3.92Å; V27-F35 HydrophobicContact CG1-CE2 3.95Å; V27-F35 HydrophobicContact CG1-CZ 4.12Å
28S90.6Very high88Confident27 Ų2765 Ų6519%0.18934%0.339CS..  trans-72.2153.9179.167.10000111.4R26 Q30 A31 F32R26-S28 PolarHBondContact O-N 2.97Å; S28-Q30 PolarHBondContact O-N 3.15Å; S28-A31 WeakPolarHBondContact O-CB 3.44Å; S28-A31 PolarHBondContact O-N 3.47Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 3.33Å; S28-F32 WeakPolarHBondContact O-CD2 3.35Å
29P90.5Very high88.2Confident14 Ų1463.5 Ų63.59%0.09133%0.329CS..Hα-helixtrans-53.8-38.9175.1-24.130000114.1A31 F32 W62 F63 C66P29-A31 VanDerWaalsContact C-N 3.3Å; P29-A31 PolarHBondContact O-N 3.18Å; P29-F32 PolarHBondContact O-N 3.12Å; P29-W62 HydrophobicContact CB-CB 4.15Å; P29-W62 HydrophobicContact CG-CB 4.16Å; P29-F63 VanDerWaalsContact CA-CD1 3.46Å; P29-F63 HydrophobicContact CB-CD1 3.74Å; P29-F63 HydrophobicContact CB-CE1 3.69Å; P29-F63 HydrophobicContact CG-CD1 4.01Å; P29-F63 HydrophobicContact CG-CE1 3.44Å; P29-F63 VanDerWaalsContact CG-CE1 3.44Å; P29-F63 HydrophobicContact CG-CZ 3.89Å; P29-C66 VanDerWaalsContact C-SG 3.59Å; P29-C66 WeakPolarHBondContact O-CB 3.37Å; P29-C66 PolarHBondContact O-SG 3.43Å
30Q93.2Very high88.6Confident56 Ų5662.1 Ų62.126%0.26231%0.309SS..Hα-helixtrans-58.9-41.8178.4-60.792.5-36.200111.2S28 F32 G33 Y34 F77 L79S28-Q30 PolarHBondContact O-N 3.15Å; Q30-F32 VanDerWaalsContact C-N 3.27Å; Q30-F32 PolarHBondContact O-N 3.04Å; Q30-G33 WeakPolarHBondContact O-CA 3.32Å; Q30-G33 PolarHBondContact O-N 3.21Å; Q30-Y34 WeakPolarHBondContact O-CD2 3.4Å; Q30-Y34 PolarHBondContact O-N 3.09Å; Q30-Y34 VanDerWaalsContact O-N 3.16Å; Q30-F77 HydrophobicContact CG-CB 3.57Å; Q30-F77 HydrophobicContact CG-CG 4.47Å; Q30-L79 HydrophobicContact CB-CD2 3.64Å
31A92.2Very high88.8Confident15 Ų1566.1 Ų66.112%0.12434%0.335CS..Hα-helixtrans-58.4-37.7-178.600000112.4V27 S28 P29 G33 Y34 F35 L79V27-A31 HydrophobicContact CG1-CB 3.65Å; S28-A31 WeakPolarHBondContact O-CB 3.44Å; S28-A31 PolarHBondContact O-N 3.47Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 3.33Å; P29-A31 VanDerWaalsContact C-N 3.3Å; P29-A31 PolarHBondContact O-N 3.18Å; A31-G33 VanDerWaalsContact C-N 3.3Å; A31-G33 PolarHBondContact O-N 2.84Å; A31-Y34 PolarHBondContact O-N 3.09Å; A31-F35 HydrophobicContact CB-CE1 4.46Å; A31-F35 HydrophobicContact CB-CE2 4.37Å; A31-F35 HydrophobicContact CB-CZ 4.05Å; A31-F35 WeakPolarHBondContact O-CD1 3.47Å; A31-F35 WeakPolarHBondContact O-CD2 3.48Å; A31-F35 WeakPolarHBondContact O-CG 3.08Å; A31-F35 PolarHBondContact O-N 3.27Å; A31-L79 HydrophobicContact CB-CD2 4.07Å
32F92.2Very high89Confident3 Ų363.4 Ų63.41%0.01331%0.314CS..Hα-helixtrans-61.5-37174.9-68.9-84.8000112.9F14 A16 V27 S28 P29 Q30 F35 M36 F63 V67F14-F32 AromaticContact CD1-CD1 3.67Å; F14-F32 HydrophobicContact CD1-CD1 3.67Å; F14-F32 HydrophobicContact CD1-CD2 4.27Å; F14-F32 AromaticContact CD1-CE1 3.6Å; F14-F32 HydrophobicContact CD1-CE1 3.6Å; F14-F32 HydrophobicContact CD1-CE2 4.19Å; F14-F32 HydrophobicContact CD1-CG 4Å; F14-F32 AromaticContact CD1-CZ 3.87Å; F14-F32 HydrophobicContact CD1-CZ 3.87Å; F14-F32 HydrophobicContact CE1-CB 4.29Å; F14-F32 AromaticContact CE1-CD1 3.68Å; F14-F32 HydrophobicContact CE1-CD1 3.68Å; F14-F32 HydrophobicContact CE1-CE1 4.09Å; F14-F32 AromaticContact CE1-CG 3.94Å; F14-F32 HydrophobicContact CE1-CG 3.94Å; A16-F32 HydrophobicContact CB-CZ 4.42Å; V27-F32 HydrophobicContact CB-CE2 3.99Å; V27-F32 HydrophobicContact CB-CZ 4.23Å; V27-F32 HydrophobicContact CG1-CD2 3.97Å; V27-F32 HydrophobicContact CG1-CE2 3.54Å; V27-F32 HydrophobicContact CG1-CZ 3.92Å; S28-F32 WeakPolarHBondContact O-CD2 3.35Å; P29-F32 PolarHBondContact O-N 3.12Å; Q30-F32 VanDerWaalsContact C-N 3.27Å; Q30-F32 PolarHBondContact O-N 3.04Å; F32-F35 HydrophobicContact CD1-CD2 4.07Å; F32-F35 HydrophobicContact CD1-CE2 4.27Å; F32-F35 HydrophobicContact CG-CD2 4.41Å; F32-F35 PolarHBondContact O-N 3.26Å; F32-M36 WeakPolarHBondContact O-CG 3.38Å; F32-M36 PolarHBondContact O-N 3.22Å; F32-F63 AromaticContact CD2-CD1 3.45Å; F32-F63 HydrophobicContact CD2-CD1 3.45Å; F32-F63 VanDerWaalsContact CD2-CD1 3.45Å; F32-F63 AromaticContact CD2-CE1 3.89Å; F32-F63 HydrophobicContact CD2-CE1 3.89Å; F32-F63 HydrophobicContact CD2-CG 4.47Å; F32-F63 AromaticContact CE2-CD1 3.6Å; F32-F63 HydrophobicContact CE2-CD1 3.6Å; F32-F63 AromaticContact CE2-CE1 3.7Å; F32-F63 HydrophobicContact CE2-CE1 3.7Å; F32-F63 HydrophobicContact CG-CD1 4.35Å; F32-V67 HydrophobicContact CB-CG2 4.13Å
33G93.2Very high89.3Confident0 Ų056.7 Ų56.70%028%0.28CS..Hα-helixtrans-64-4017200000112.5Q30 A31 M36 K37 C66 A70Q30-G33 WeakPolarHBondContact O-CA 3.32Å; Q30-G33 PolarHBondContact O-N 3.21Å; A31-G33 VanDerWaalsContact C-N 3.3Å; A31-G33 PolarHBondContact O-N 2.84Å; G33-M36 PolarHBondContact O-N 3.36Å; G33-K37 PolarHBondContact O-N 3.33Å; G33-C66 WeakPolarHBondContact CA-O 3.25Å; G33-A70 VanDerWaalsContact O-CB 3.25Å; G33-A70 WeakPolarHBondContact O-CB 3.2Å
34Y94.1Very high89.6Confident64 Ų6458.9 Ų58.925%0.25130%0.303SS..Hα-helixtrans-68.8-35.2176.3-81.3-103.1000112.6Q30 A31 M36 K37 M38 L76 F77 L79Q30-Y34 WeakPolarHBondContact O-CD2 3.4Å; Q30-Y34 PolarHBondContact O-N 3.09Å; Q30-Y34 VanDerWaalsContact O-N 3.16Å; A31-Y34 PolarHBondContact O-N 3.09Å; Y34-M36 VanDerWaalsContact C-N 3.27Å; Y34-M36 PolarHBondContact O-N 2.74Å; Y34-K37 WeakPolarHBondContact O-CB 3.34Å; Y34-K37 PolarHBondContact O-N 3.09Å; Y34-M38 WeakPolarHBondContact O-CG 3.43Å; Y34-M38 PolarHBondContact O-N 2.93Å; Y34-L76 HydrophobicContact CD1-CD1 4.38Å; Y34-L76 HydrophobicContact CD2-CB 4.37Å; Y34-L76 HydrophobicContact CD2-CD1 3.68Å; Y34-L76 HydrophobicContact CE2-CB 3.73Å; Y34-L76 HydrophobicContact CE2-CD1 3.81Å; Y34-L76 HydrophobicContact CE2-CG 4.45Å; Y34-L76 HydrophobicContact CG-CD1 3.99Å; Y34-F77 VanDerWaalsContact CE2-O 3.27Å; Y34-F77 WeakPolarHBondContact CE2-O 3.49Å; Y34-F77 PolarHBondContact OH-O 2.92Å; Y34-L79 HydrophobicContact CD1-CD1 3.68Å; Y34-L79 HydrophobicContact CD1-CG 4.46Å; Y34-L79 HydrophobicContact CD2-CD1 3.59Å; Y34-L79 HydrophobicContact CD2-CD2 3.89Å; Y34-L79 HydrophobicContact CD2-CG 3.59Å; Y34-L79 HydrophobicContact CE1-CD1 3.86Å; Y34-L79 HydrophobicContact CE1-CG 4.37Å; Y34-L79 HydrophobicContact CE2-CD1 3.8Å; Y34-L79 HydrophobicContact CE2-CD2 4.16Å; Y34-L79 HydrophobicContact CE2-CG 3.5Å; Y34-L79 HydrophobicContact CG-CD1 3.52Å; Y34-L79 HydrophobicContact CG-CD2 4.5Å; Y34-L79 HydrophobicContact CG-CG 4.09Å
35F93Very high89.6Confident61 Ų6156.8 Ų56.827%0.26830%0.3SS..Hα-helixtrans-58.3-43.4172.3-57.9-27.3000111V27 A31 F32 M38 L39 I148 I149V27-F35 HydrophobicContact CG1-CE2 3.95Å; V27-F35 HydrophobicContact CG1-CZ 4.12Å; A31-F35 HydrophobicContact CB-CE1 4.46Å; A31-F35 HydrophobicContact CB-CE2 4.37Å; A31-F35 HydrophobicContact CB-CZ 4.05Å; A31-F35 WeakPolarHBondContact O-CD1 3.47Å; A31-F35 WeakPolarHBondContact O-CD2 3.48Å; A31-F35 WeakPolarHBondContact O-CG 3.08Å; A31-F35 PolarHBondContact O-N 3.27Å; F32-F35 HydrophobicContact CD1-CD2 4.07Å; F32-F35 HydrophobicContact CD1-CE2 4.27Å; F32-F35 HydrophobicContact CG-CD2 4.41Å; F32-F35 PolarHBondContact O-N 3.26Å; F35-M38 PolarHBondContact O-N 3.02Å; F35-L39 WeakPolarHBondContact O-CG 3.24Å; F35-L39 PolarHBondContact O-N 2.93Å; F35-L39 VanDerWaalsContact O-N 3.16Å; F35-I148 HydrophobicContact CE2-CG2 4.09Å; F35-I149 HydrophobicContact CB-CD1 3.41Å; F35-I149 VanDerWaalsContact CB-CD1 3.41Å; F35-I149 HydrophobicContact CD2-CD1 3.4Å; F35-I149 VanDerWaalsContact CD2-CD1 3.4Å; F35-I149 HydrophobicContact CD2-CG1 4.33Å; F35-I149 HydrophobicContact CE2-CD1 4.43Å; F35-I149 HydrophobicContact CG-CD1 3.75Å
36M92Very high89.8Confident3 Ų360.9 Ų60.92%0.01531%0.312CS..Hα-helixtrans-64.8-43175.4-64.2-55.899.200111.7V10 F32 G33 Y34 M38 L39 L40 L47 V49 V67 A70 I149V10-M36 HydrophobicContact CG1-CE 3.98Å; V10-M36 HydrophobicContact CG2-CE 4.17Å; V10-M36 HydrophobicContact CG2-SD 4.36Å; F32-M36 WeakPolarHBondContact O-CG 3.38Å; F32-M36 PolarHBondContact O-N 3.22Å; G33-M36 PolarHBondContact O-N 3.36Å; Y34-M36 VanDerWaalsContact C-N 3.27Å; Y34-M36 PolarHBondContact O-N 2.74Å; M36-M38 PolarHBondContact O-N 3.31Å; M36-L39 HydrophobicContact CE-CD1 3.8Å; M36-L39 PolarHBondContact O-N 2.94Å; M36-L40 WeakPolarHBondContact O-CG 3.39Å; M36-L40 PolarHBondContact O-N 3.21Å; M36-L47 HydrophobicContact SD-CD2 4.42Å; M36-V49 HydrophobicContact SD-CG2 3.82Å; M36-V67 HydrophobicContact CG-CB 4.33Å; M36-V67 HydrophobicContact CG-CG1 3.98Å; M36-V67 HydrophobicContact CG-CG2 4.1Å; M36-V67 HydrophobicContact SD-CG1 4.38Å; M36-A70 HydrophobicContact CB-CB 3.54Å; M36-A70 HydrophobicContact CG-CB 4.41Å; M36-I149 HydrophobicContact CE-CD1 3.6Å
37K92.2Very high89.9Confident120 Ų12051.4 Ų51.452%0.52228%0.279SS..Hα-helixtrans-58.1-34.3175.4-174.7176.7178.8179.40112.8G33 Y34 P41 L76G33-K37 PolarHBondContact O-N 3.33Å; Y34-K37 WeakPolarHBondContact O-CB 3.34Å; Y34-K37 PolarHBondContact O-N 3.09Å; K37-P41 WeakPolarHBondContact O-CD 3.37Å; K37-L76 HydrophobicContact CB-CD1 3.98Å; K37-L76 HydrophobicContact CD-CD1 3.85Å
38M91.1Very high90Very high137 Ų13753.2 Ų53.268%0.67529%0.29SS*.Hα-helixtrans-72.8-30.9175.1-69.3173.86600112.9Y34 F35 M36Y34-M38 WeakPolarHBondContact O-CG 3.43Å; Y34-M38 PolarHBondContact O-N 2.93Å; F35-M38 PolarHBondContact O-N 3.02Å; M36-M38 PolarHBondContact O-N 3.31Å
39L90.7Very high90.1Very high24 Ų2454 Ų5413%0.12629%0.294CS..Hα-helixtrans-83.5-31.2-179.7-68.5173000113.5V10 F35 M36 I42 A43 L47 V151V10-L39 HydrophobicContact CG2-CD1 3.66Å; F35-L39 WeakPolarHBondContact O-CG 3.24Å; F35-L39 PolarHBondContact O-N 2.93Å; F35-L39 VanDerWaalsContact O-N 3.16Å; M36-L39 HydrophobicContact CE-CD1 3.8Å; M36-L39 PolarHBondContact O-N 2.94Å; L39-I42 WeakPolarHBondContact O-CA 3.49Å; L39-I42 WeakPolarHBondContact O-CB 3.4Å; L39-I42 PolarHBondContact O-N 3.01Å; L39-A43 PolarHBondContact O-N 2.91Å; L39-L47 HydrophobicContact CB-CD1 3.78Å; L39-V151 HydrophobicContact CD1-CG2 4Å; L39-V151 HydrophobicContact CD2-CG2 4.2Å
40L90.3Very high90.2Very high22 Ų2255.7 Ų55.712%0.11531%0.309CS..Hα-helixtrans-54.4-45.1-176.8-78.8165.2000113.9M36 I42 A43 G44 L47 A70 L71M36-L40 WeakPolarHBondContact O-CG 3.39Å; M36-L40 PolarHBondContact O-N 3.21Å; L40-I42 PolarHBondContact O-N 3.26Å; L40-A43 PolarHBondContact O-N 3.43Å; L40-G44 PolarHBondContact O-N 2.94Å; L40-L47 HydrophobicContact CD2-CD1 4.24Å; L40-L47 HydrophobicContact CG-CD1 4.42Å; L40-A70 WeakPolarHBondContact CD1-O 3.27Å; L40-L71 HydrophobicContact CD2-CD2 4.17Å
41P88.3Confident90.1Very high97 Ų9757.9 Ų57.963%0.6332%0.321SS*.Hα-helixtrans-63.8-23.2175.9-22.934.2000114.1K37K37-P41 WeakPolarHBondContact O-CD 3.37Å
42I86.1Confident89.8Confident57 Ų5763.3 Ų63.329%0.29234%0.344SS..Hα-helixtrans-83.4-41179.2-46.7-172.6000110.4M1 P5 L39 L40 G44M1-I42 HydrophobicContact CE-CB 4.23Å; M1-I42 HydrophobicContact CE-CG1 3.84Å; M1-I42 HydrophobicContact CE-CG2 4.44Å; M1-I42 HydrophobicContact SD-CB 3.91Å; M1-I42 HydrophobicContact SD-CD1 3.91Å; M1-I42 HydrophobicContact SD-CG1 3.52Å; M1-I42 VanDerWaalsContact SD-CG1 3.52Å; M1-I42 HydrophobicContact SD-CG2 3.61Å; P5-I42 HydrophobicContact CG-CG2 3.85Å; L39-I42 WeakPolarHBondContact O-CA 3.49Å; L39-I42 WeakPolarHBondContact O-CB 3.4Å; L39-I42 PolarHBondContact O-N 3.01Å; L40-I42 PolarHBondContact O-N 3.26Å; I42-G44 VanDerWaalsContact C-N 3.34Å
43A85.3Confident89.3Confident7 Ų765 Ų656%0.05836%0.356CS..Hα-helixtrans-79.7-16.2-178.200000113.8V8 L39 L40 S45 R46 L47V8-A43 HydrophobicContact CB-CB 3.71Å; V8-A43 HydrophobicContact CG2-CB 3.43Å; V8-A43 VanDerWaalsContact CG2-CB 3.43Å; L39-A43 PolarHBondContact O-N 2.91Å; L40-A43 PolarHBondContact O-N 3.43Å; A43-S45 PolarHBondContact O-N 3.26Å; A43-R46 PolarHBondContact O-N 3.08Å; A43-L47 HydrophobicContact CB-CB 3.73Å; A43-L47 HydrophobicContact CB-CD1 4.04Å; A43-L47 HydrophobicContact CB-CG 4.23Å
44G80.8Confident88.3Confident51 Ų5167 Ų6753%0.52638%0.377SS..THydrogen-bonded Turntrans59-123.3-167.400000110.3L40 I42L40-G44 PolarHBondContact O-N 2.94Å; I42-G44 VanDerWaalsContact C-N 3.34Å
45S81.9Confident87.2Confident119 Ų11964.6 Ų64.683%0.83237%0.369SS*.THydrogen-bonded Turntrans-92.26.2177.357.40000114.3A43A43-S45 PolarHBondContact O-N 3.26Å
46R90.4Very high86.6Confident147 Ų14765 Ų6556%0.55538%0.38SS*.  trans-122.771.2-167.5-64.2177-177.4-178.43.7111.3D6 L7 V8 A43D6-R46 WeakPolarHBondContact O-CD 3.49Å; L7-R46 HydrophobicContact CD1-CB 3.94Å; L7-R46 WeakPolarHBondContact CD1-O 3.25Å; V8-R46 PolarHBondContact N-O 3.25Å; A43-R46 PolarHBondContact O-N 3.08Å
47L90.5Very high86.2Confident28 Ų2869.6 Ų69.615%0.14741%0.408CS..EExtended strand (participates in β ladder)trans-121.1123.5174.9-167.8158000109.5V8 V10 M36 L39 L40 A43 V49 L71V8-L47 HydrophobicContact CB-CG 4.43Å; V8-L47 HydrophobicContact CG1-CG 4.44Å; V8-L47 WeakPolarHBondContact O-CA 3.38Å; V10-L47 HydrophobicContact CG2-CD2 4.28Å; M36-L47 HydrophobicContact SD-CD2 4.42Å; L39-L47 HydrophobicContact CB-CD1 3.78Å; L40-L47 HydrophobicContact CD2-CD1 4.24Å; L40-L47 HydrophobicContact CG-CD1 4.42Å; A43-L47 HydrophobicContact CB-CB 3.73Å; A43-L47 HydrophobicContact CB-CD1 4.04Å; A43-L47 HydrophobicContact CB-CG 4.23Å; L47-V49 HydrophobicContact CD2-CG2 3.28Å; L47-L71 HydrophobicContact CD2-CD2 3.74Å
48V92.3Very high85.8Confident65 Ų6569.1 Ų69.139%0.39441%0.411SS..EExtended strand (participates in β ladder)trans-113.1123.3175.8178.10000108.8L7 V8 F9 V10L7-V48 HydrophobicContact CD1-CG2 4.15Å; V8-V48 PolarHBondContact O-N 3.04Å; F9-V48 CarbonylContact C-O 3.51Å; F9-V48 WeakPolarHBondContact CA-O 3.47Å; F9-V48 HydrophobicContact CD1-CB 3.83Å; F9-V48 HydrophobicContact CD1-CG1 3.99Å; F9-V48 HydrophobicContact CE1-CB 3.95Å; F9-V48 HydrophobicContact CE1-CG1 4Å; F9-V48 HydrophobicContact CE1-CG2 4.23Å; V10-V48 PolarHBondContact N-O 3.38Å
49V92.7Very high85.4Confident45 Ų4567.6 Ų67.627%0.27340%0.398SS..EExtended strand (participates in β ladder)trans-105120.2173.8-171.30000109.1V10 A12 M36 L47 V67 L71V10-V49 HydrophobicContact CB-CB 4.49Å; V10-V49 HydrophobicContact CB-CG1 4.32Å; V10-V49 HydrophobicContact CB-CG2 4.23Å; V10-V49 HydrophobicContact CG1-CG1 4.12Å; V10-V49 CarbonylContact O-C 3.6Å; V10-V49 WeakPolarHBondContact O-CA 3.29Å; A12-V49 HydrophobicContact CB-CG1 3.6Å; M36-V49 HydrophobicContact SD-CG2 3.82Å; L47-V49 HydrophobicContact CD2-CG2 3.28Å; V49-V67 HydrophobicContact CG1-CG1 4.22Å; V49-V67 HydrophobicContact CG2-CG1 4.27Å; V49-L71 HydrophobicContact CG2-CD1 3.97Å; V49-L71 HydrophobicContact CG2-CD2 4.35Å
50A92.1Very high85.3Confident49 Ų4968.2 Ų68.241%0.40540%0.401SS..EExtended strand (participates in β ladder)trans-112.8120.7175.700000109.5V10 A12V10-A50 PolarHBondContact O-N 3.28Å; A12-A50 PolarHBondContact N-O 3.28Å
51L90.4Very high85.3Confident101 Ų10173.2 Ų73.253%0.52942%0.422SS..EExtended strand (participates in β ladder)trans-67.7129.5175176.867.7000110.1F14 S53 L60F14-L51 HydrophobicContact CD2-CD1 3.63Å; F14-L51 HydrophobicContact CE2-CD1 3.56Å; L51-S53 WeakPolarHBondContact CD1-O 3.49Å; L51-L60 HydrophobicContact CD1-CD1 3.86Å; L51-L60 HydrophobicContact CD2-CD1 4.4Å; L51-L60 HydrophobicContact CD2-CD2 4.1Å
52E86.6Confident85.4Confident129 Ų12975.8 Ų75.860%0.60342%0.419SS*.EExtended strand (participates in β ladder)trans-114.9-51.8179-72.1-123.9-138.800112.5S11 A12S11-E52 VanDerWaalsContact CB-OE1 3.31Å; S11-E52 WeakPolarHBondContact CB-OE1 3.27Å; S11-E52 WeakPolarHBondContact OG-CG 3.41Å; S11-E52 PolarHBondContact OG-OE1 3.3Å; A12-E52 PolarHBondContact O-N 3.18Å
53S81Confident85.6Confident39 Ų3973 Ų7327%0.27341%0.405SS..EExtended strand (participates in β ladder)trans-133.6152176.773.30000110.2G13 F14 D15 L51G13-S53 VanDerWaalsContact CA-OG 3.29Å; G13-S53 WeakPolarHBondContact CA-OG 3.4Å; F14-S53 PolarHBondContact N-O 2.99Å; D15-S53 PolarHBondContact OD2-OG 3.26Å; L51-S53 WeakPolarHBondContact CD1-O 3.49Å
54G71.5Confident85.9Confident41 Ų4175.1 Ų75.142%0.42342%0.417SS..  trans-144.8147.8174.400000110
55C71.6Confident86.6Confident15 Ų1575 Ų7510%0.10141%0.408CS..SBendtrans-65.2-177.8157.958.20000110.2C20 W59 F63C20-C55 HydrophobicContact CB-CB 4.03Å; C55-W59 WeakPolarHBondContact SG-CB 3.37Å; C55-F63 VanDerWaalsContact SG-CE2 3.54Å
56S81.7Confident87.2Confident69 Ų6969.5 Ų69.548%0.48337%0.369SS..  trans-43.6147178.159.50000113.4D58 W59 L60S56-D58 PolarHBondContact O-N 3.49Å; S56-W59 PolarHBondContact O-N 3.17Å; S56-L60 PolarHBondContact O-N 3.33Å; S56-L60 VanDerWaalsContact O-N 3.12Å
57V82.4Confident87.3Confident99 Ų9963 Ų6360%0.635%0.346SS*.Hα-helixtrans-50.1-34.8-174.6179.40000113.5L60 K61V57-L60 PolarHBondContact O-N 3.39Å; V57-K61 WeakPolarHBondContact O-CG 3.35Å; V57-K61 PolarHBondContact O-N 3.44Å
58D83.7Confident87.6Confident110 Ų11065.5 Ų65.559%0.58836%0.358SS*.Hα-helixtrans-67.5-38.3-178.7-65.9-36.9000113.4S56 K61S56-D58 PolarHBondContact O-N 3.49Å; D58-K61 IonicContact OD1-NZ 3.48Å; D58-K61 PolarHBondContact OD1-NZ 3.04Å
59W83.8Confident87.8Confident106 Ų10665.5 Ų65.540%0.40235%0.352SS..Hα-helixtrans-77.4-37.1175.6-77.2111.1000111.7V18 C55 S56 K61 W62 F63V18-W59 HydrophobicContact CG1-CZ3 4.49Å; C55-W59 WeakPolarHBondContact SG-CB 3.37Å; S56-W59 PolarHBondContact O-N 3.17Å; W59-K61 PolarHBondContact O-N 3.23Å; W59-W62 WeakPolarHBondContact O-CB 3.39Å; W59-W62 PolarHBondContact O-N 3.45Å; W59-F63 HydrophobicContact CB-CD2 4.49Å; W59-F63 HydrophobicContact CB-CE2 3.85Å; W59-F63 HydrophobicContact CE3-CZ 4.4Å; W59-F63 WeakPolarHBondContact O-CD2 3.44Å; W59-F63 WeakPolarHBondContact O-CE2 3.47Å; W59-F63 PolarHBondContact O-N 3.29Å
60L87.3Confident87.8Confident36 Ų3663.6 Ų63.619%0.18834%0.341CS..Hα-helixtrans-53.8-40178.7-177.661.1000112.6F14 L51 S56 V57 W62 F63 V64F14-L60 HydrophobicContact CD2-CD1 3.35Å; F14-L60 HydrophobicContact CE2-CD1 3.69Å; F14-L60 HydrophobicContact CG-CD1 4.39Å; L51-L60 HydrophobicContact CD1-CD1 3.86Å; L51-L60 HydrophobicContact CD2-CD1 4.4Å; L51-L60 HydrophobicContact CD2-CD2 4.1Å; S56-L60 PolarHBondContact O-N 3.33Å; S56-L60 VanDerWaalsContact O-N 3.12Å; V57-L60 PolarHBondContact O-N 3.39Å; L60-W62 VanDerWaalsContact C-N 3.28Å; L60-W62 PolarHBondContact O-N 2.95Å; L60-F63 PolarHBondContact O-N 3.35Å; L60-V64 HydrophobicContact CD1-CG2 3.87Å; L60-V64 HydrophobicContact CG-CG2 4.1Å; L60-V64 WeakPolarHBondContact O-CB 3.34Å; L60-V64 VanDerWaalsContact O-CG2 3.31Å; L60-V64 WeakPolarHBondContact O-CG2 3.46Å; L60-V64 PolarHBondContact O-N 3.47Å
61K90.6Very high87.9Confident127 Ų12764 Ų6455%0.55234%0.335SS*.Hα-helixtrans-56.7-40.2177.1-68.1165-174.1162.10112.4V57 D58 W59 S65V57-K61 WeakPolarHBondContact O-CG 3.35Å; V57-K61 PolarHBondContact O-N 3.44Å; D58-K61 IonicContact OD1-NZ 3.48Å; D58-K61 PolarHBondContact OD1-NZ 3.04Å; W59-K61 PolarHBondContact O-N 3.23Å; K61-S65 WeakPolarHBondContact O-CB 3.38Å; K61-S65 PolarHBondContact O-N 3.42Å
62W91.1Very high88.1Confident151 Ų15164.6 Ų64.657%0.57234%0.338SS*.Hα-helixtrans-68.1-44.4179.4-72.4101.8000112.1P29 W59 L60 S65 C66P29-W62 HydrophobicContact CB-CB 4.15Å; P29-W62 HydrophobicContact CG-CB 4.16Å; W59-W62 WeakPolarHBondContact O-CB 3.39Å; W59-W62 PolarHBondContact O-N 3.45Å; L60-W62 VanDerWaalsContact C-N 3.28Å; L60-W62 PolarHBondContact O-N 2.95Å; W62-S65 PolarHBondContact O-N 2.7Å; W62-C66 PolarHBondContact O-N 3.31Å; W62-C66 VanDerWaalsContact O-N 3.09Å; W62-C66 PolarHBondContact O-SG 3.19Å
63F90.4Very high88.4Confident0 Ų065.6 Ų65.60%034%0.343CS..Hα-helixtrans-63.6-49177.9-61.6-61.7000112F14 A17 P29 F32 C55 W59 L60 S65 C66 V67F14-F63 HydrophobicContact CB-CD2 4.03Å; F14-F63 HydrophobicContact CB-CG 4.24Å; F14-F63 HydrophobicContact CD1-CB 3.5Å; F14-F63 HydrophobicContact CD1-CD1 4.23Å; F14-F63 HydrophobicContact CD1-CD2 4.45Å; F14-F63 AromaticContact CD1-CG 3.83Å; F14-F63 HydrophobicContact CD1-CG 3.83Å; F14-F63 HydrophobicContact CD2-CB 4.12Å; F14-F63 HydrophobicContact CE1-CB 3.56Å; F14-F63 HydrophobicContact CE1-CG 4.35Å; F14-F63 HydrophobicContact CE2-CB 4.12Å; F14-F63 HydrophobicContact CG-CB 3.79Å; F14-F63 HydrophobicContact CG-CD2 4.22Å; F14-F63 HydrophobicContact CG-CG 4.03Å; F14-F63 HydrophobicContact CZ-CB 3.86Å; A17-F63 HydrophobicContact CB-CD1 4.48Å; A17-F63 HydrophobicContact CB-CD2 4.26Å; A17-F63 HydrophobicContact CB-CE1 3.66Å; A17-F63 HydrophobicContact CB-CE2 3.36Å; A17-F63 HydrophobicContact CB-CZ 3.09Å; P29-F63 VanDerWaalsContact CA-CD1 3.46Å; P29-F63 HydrophobicContact CB-CD1 3.74Å; P29-F63 HydrophobicContact CB-CE1 3.69Å; P29-F63 HydrophobicContact CG-CD1 4.01Å; P29-F63 HydrophobicContact CG-CE1 3.44Å; P29-F63 VanDerWaalsContact CG-CE1 3.44Å; P29-F63 HydrophobicContact CG-CZ 3.89Å; F32-F63 AromaticContact CD2-CD1 3.45Å; F32-F63 HydrophobicContact CD2-CD1 3.45Å; F32-F63 VanDerWaalsContact CD2-CD1 3.45Å; F32-F63 AromaticContact CD2-CE1 3.89Å; F32-F63 HydrophobicContact CD2-CE1 3.89Å; F32-F63 HydrophobicContact CD2-CG 4.47Å; F32-F63 AromaticContact CE2-CD1 3.6Å; F32-F63 HydrophobicContact CE2-CD1 3.6Å; F32-F63 AromaticContact CE2-CE1 3.7Å; F32-F63 HydrophobicContact CE2-CE1 3.7Å; F32-F63 HydrophobicContact CG-CD1 4.35Å; C55-F63 VanDerWaalsContact SG-CE2 3.54Å; W59-F63 HydrophobicContact CB-CD2 4.49Å; W59-F63 HydrophobicContact CB-CE2 3.85Å; W59-F63 HydrophobicContact CE3-CZ 4.4Å; W59-F63 WeakPolarHBondContact O-CD2 3.44Å; W59-F63 WeakPolarHBondContact O-CE2 3.47Å; W59-F63 PolarHBondContact O-N 3.29Å; L60-F63 PolarHBondContact O-N 3.35Å; F63-S65 VanDerWaalsContact C-N 3.31Å; F63-S65 PolarHBondContact O-N 2.9Å; F63-C66 PolarHBondContact O-N 3.42Å; F63-V67 WeakPolarHBondContact O-CG2 3.45Å; F63-V67 PolarHBondContact O-N 3.35Å
64V92.1Very high89.2Confident51 Ų5167 Ų6731%0.30935%0.347SS..Hα-helixtrans-61.6-40.8177.6172.50000110.7F14 L60 C66 V67 I68F14-V64 HydrophobicContact CE2-CG2 3.99Å; F14-V64 HydrophobicContact CZ-CG2 4.42Å; L60-V64 HydrophobicContact CD1-CG2 3.87Å; L60-V64 HydrophobicContact CG-CG2 4.1Å; L60-V64 WeakPolarHBondContact O-CB 3.34Å; L60-V64 VanDerWaalsContact O-CG2 3.31Å; L60-V64 WeakPolarHBondContact O-CG2 3.46Å; L60-V64 PolarHBondContact O-N 3.47Å; V64-C66 PolarHBondContact O-N 3.11Å; V64-V67 PolarHBondContact O-N 3.2Å; V64-I68 HydrophobicContact CG1-CD1 3.56Å; V64-I68 HydrophobicContact CG1-CG1 4.15Å; V64-I68 WeakPolarHBondContact O-CB 3.45Å; V64-I68 VanDerWaalsContact O-CG1 3.3Å; V64-I68 WeakPolarHBondContact O-CG1 3.21Å; V64-I68 PolarHBondContact O-N 3.02Å
65S94Very high90.3Very high49 Ų4969.8 Ų69.834%0.34336%0.358SS..Hα-helixtrans-58.7-46.1175.4-177.70000111.9K61 W62 F63 V67 I68 R69K61-S65 WeakPolarHBondContact O-CB 3.38Å; K61-S65 PolarHBondContact O-N 3.42Å; W62-S65 PolarHBondContact O-N 2.7Å; F63-S65 VanDerWaalsContact C-N 3.31Å; F63-S65 PolarHBondContact O-N 2.9Å; S65-V67 PolarHBondContact O-N 3.17Å; S65-I68 PolarHBondContact O-N 3.1Å; S65-R69 WeakPolarHBondContact O-CB 3.45Å; S65-R69 VanDerWaalsContact O-CG 3.29Å; S65-R69 WeakPolarHBondContact O-CG 3.38Å; S65-R69 PolarHBondContact O-N 3.41Å
66C94.4Very high91.3Very high3 Ų370.7 Ų70.72%0.0236%0.362CS..Hα-helixtrans-64.8-39.9178.7-64.70000112.6P29 G33 W62 F63 V64 A70P29-C66 VanDerWaalsContact C-SG 3.59Å; P29-C66 WeakPolarHBondContact O-CB 3.37Å; P29-C66 PolarHBondContact O-SG 3.43Å; G33-C66 WeakPolarHBondContact CA-O 3.25Å; W62-C66 PolarHBondContact O-N 3.31Å; W62-C66 VanDerWaalsContact O-N 3.09Å; W62-C66 PolarHBondContact O-SG 3.19Å; F63-C66 PolarHBondContact O-N 3.42Å; V64-C66 PolarHBondContact O-N 3.11Å; C66-A70 PolarHBondContact O-N 3.18Å
67V93.8Very high91.9Very high9 Ų971.5 Ų71.56%0.05536%0.357CS..Hα-helixtrans-63.3-50.2175.1166.40000110.8F14 F32 M36 V49 F63 V64 S65 R69 A70 L71F14-V67 HydrophobicContact CE1-CG2 4.19Å; F14-V67 HydrophobicContact CZ-CG2 4.14Å; F32-V67 HydrophobicContact CB-CG2 4.13Å; M36-V67 HydrophobicContact CG-CB 4.33Å; M36-V67 HydrophobicContact CG-CG1 3.98Å; M36-V67 HydrophobicContact CG-CG2 4.1Å; M36-V67 HydrophobicContact SD-CG1 4.38Å; V49-V67 HydrophobicContact CG1-CG1 4.22Å; V49-V67 HydrophobicContact CG2-CG1 4.27Å; F63-V67 WeakPolarHBondContact O-CG2 3.45Å; F63-V67 PolarHBondContact O-N 3.35Å; V64-V67 PolarHBondContact O-N 3.2Å; S65-V67 PolarHBondContact O-N 3.17Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.88Å; V67-A70 WeakPolarHBondContact O-CB 3.47Å; V67-A70 PolarHBondContact O-N 3.18Å; V67-A70 VanDerWaalsContact O-N 3.14Å; V67-L71 HydrophobicContact CG1-CD1 4.11Å; V67-L71 HydrophobicContact CG1-CG 4.48Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.07Å
68I95.4Very high92.3Very high81 Ų8175 Ų7542%0.41537%0.366SS..Hα-helixtrans-60.7-43.8179.9-70.2173000111V64 S65 A70 L71 L72V64-I68 HydrophobicContact CG1-CD1 3.56Å; V64-I68 HydrophobicContact CG1-CG1 4.15Å; V64-I68 WeakPolarHBondContact O-CB 3.45Å; V64-I68 VanDerWaalsContact O-CG1 3.3Å; V64-I68 WeakPolarHBondContact O-CG1 3.21Å; V64-I68 PolarHBondContact O-N 3.02Å; S65-I68 PolarHBondContact O-N 3.1Å; I68-A70 VanDerWaalsContact C-N 3.28Å; I68-A70 PolarHBondContact O-N 3.4Å; I68-L71 PolarHBondContact O-N 3.16Å; I68-L71 VanDerWaalsContact O-N 3.15Å; I68-L72 HydrophobicContact CG2-CD1 3.71Å; I68-L72 HydrophobicContact CG2-CG 4.16Å; I68-L72 WeakPolarHBondContact O-CG 3.41Å; I68-L72 PolarHBondContact O-N 3.16Å
69R96.4Very high92.6Very high66 Ų6671.7 Ų71.725%0.24935%0.349CS..Hα-helixtrans-55.8-44175.5-74.4-176.774.172.8-2.4111.8S65 V67 L72 H73 D74 P75 L76S65-R69 WeakPolarHBondContact O-CB 3.45Å; S65-R69 VanDerWaalsContact O-CG 3.29Å; S65-R69 WeakPolarHBondContact O-CG 3.38Å; S65-R69 PolarHBondContact O-N 3.41Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.88Å; R69-L72 PolarHBondContact O-N 3.4Å; R69-H73 PolarHBondContact O-N 3Å; R69-D74 HydrophobicContact CB-CB 4.06Å; R69-D74 HydrophobicContact CG-CB 4.31Å; R69-D74 IonicContact NH1-OD2 3.52Å; R69-D74 WeakPolarHBondContact O-CB 3.44Å; R69-D74 PolarHBondContact O-N 3.23Å; R69-P75 VanDerWaalsContact CZ-O 3.23Å; R69-P75 PolarHBondContact NE-O 3.41Å; R69-P75 PolarHBondContact NH2-O 3.44Å; R69-L76 HydrophobicContact CB-CD2 4.14Å
70A93.9Very high92.6Very high5 Ų570.1 Ų70.14%0.04135%0.354CS..Hα-helixtrans-61.6-45.9176.900000112.1G33 M36 L40 C66 V67 I68 L72 H73 L76G33-A70 VanDerWaalsContact O-CB 3.25Å; G33-A70 WeakPolarHBondContact O-CB 3.2Å; M36-A70 HydrophobicContact CB-CB 3.54Å; M36-A70 HydrophobicContact CG-CB 4.41Å; L40-A70 WeakPolarHBondContact CD1-O 3.27Å; C66-A70 PolarHBondContact O-N 3.18Å; V67-A70 WeakPolarHBondContact O-CB 3.47Å; V67-A70 PolarHBondContact O-N 3.18Å; V67-A70 VanDerWaalsContact O-N 3.14Å; I68-A70 VanDerWaalsContact C-N 3.28Å; I68-A70 PolarHBondContact O-N 3.4Å; A70-L72 VanDerWaalsContact C-N 3.32Å; A70-L72 PolarHBondContact O-N 2.7Å; A70-H73 PolarHBondContact O-N 2.99Å; A70-H73 VanDerWaalsContact O-N 3.08Å; A70-L76 HydrophobicContact CB-CD2 3.85Å
71L93.4Very high92.1Very high57 Ų5774.4 Ų74.430%0.29838%0.377SS..Hα-helixtrans-65.1-33.4179.9-62.7178000113L40 L47 V49 V67 I68 H73L40-L71 HydrophobicContact CD2-CD2 4.17Å; L47-L71 HydrophobicContact CD2-CD2 3.74Å; V49-L71 HydrophobicContact CG2-CD1 3.97Å; V49-L71 HydrophobicContact CG2-CD2 4.35Å; V67-L71 HydrophobicContact CG1-CD1 4.11Å; V67-L71 HydrophobicContact CG1-CG 4.48Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.07Å; I68-L71 PolarHBondContact O-N 3.16Å; I68-L71 VanDerWaalsContact O-N 3.15Å; L71-H73 PolarHBondContact O-N 3.28Å
72L94.9Very high91.1Very high113 Ų11374 Ų7459%0.59238%0.379SS*.THydrogen-bonded Turntrans-80.60.6175.2-65.9178.1000113.4I68 R69 A70 D74I68-L72 HydrophobicContact CG2-CD1 3.71Å; I68-L72 HydrophobicContact CG2-CG 4.16Å; I68-L72 WeakPolarHBondContact O-CG 3.41Å; I68-L72 PolarHBondContact O-N 3.16Å; R69-L72 PolarHBondContact O-N 3.4Å; A70-L72 VanDerWaalsContact C-N 3.32Å; A70-L72 PolarHBondContact O-N 2.7Å; L72-D74 PolarHBondContact O-N 3.39Å
73H93.5Very high90.3Very high151 Ų15174.2 Ų74.270%0.69939%0.392SS*.THydrogen-bonded Turntrans58.724.2-172.5-56.1-77.7000114.1R69 A70 L71R69-H73 PolarHBondContact O-N 3Å; A70-H73 PolarHBondContact O-N 2.99Å; A70-H73 VanDerWaalsContact O-N 3.08Å; L71-H73 PolarHBondContact O-N 3.28Å
74D96.4Very high89.8Confident68 Ų6878.9 Ų78.936%0.36442%0.42SS..PPolyproline II helixtrans-69.7155.4172.8-80.3-13.2000111R69 L72 L76R69-D74 HydrophobicContact CB-CB 4.06Å; R69-D74 HydrophobicContact CG-CB 4.31Å; R69-D74 IonicContact NH1-OD2 3.52Å; R69-D74 WeakPolarHBondContact O-CB 3.44Å; R69-D74 PolarHBondContact O-N 3.23Å; L72-D74 PolarHBondContact O-N 3.39Å; D74-L76 PolarHBondContact O-N 2.95Å
75P95.1Very high89.3Confident100 Ų10082 Ų8265%0.64944%0.441SS*.PPolyproline II helixtrans-54.7125.3171.2-25.734.4000111.9R69R69-P75 VanDerWaalsContact CZ-O 3.23Å; R69-P75 PolarHBondContact NE-O 3.41Å; R69-P75 PolarHBondContact NH2-O 3.44Å
76L93.4Very high88.8Confident33 Ų3384.3 Ų84.317%0.17345%0.453CS..PPolyproline II helixtrans-77.6149.2175.5-61.8-173.5000110.9Y34 K37 R69 A70 D74Y34-L76 HydrophobicContact CD1-CD1 4.38Å; Y34-L76 HydrophobicContact CD2-CB 4.37Å; Y34-L76 HydrophobicContact CD2-CD1 3.68Å; Y34-L76 HydrophobicContact CE2-CB 3.73Å; Y34-L76 HydrophobicContact CE2-CD1 3.81Å; Y34-L76 HydrophobicContact CE2-CG 4.45Å; Y34-L76 HydrophobicContact CG-CD1 3.99Å; K37-L76 HydrophobicContact CB-CD1 3.98Å; K37-L76 HydrophobicContact CD-CD1 3.85Å; R69-L76 HydrophobicContact CB-CD2 4.14Å; A70-L76 HydrophobicContact CB-CD2 3.85Å; D74-L76 PolarHBondContact O-N 2.95Å
77F93.6Very high88.5Confident87 Ų8788.2 Ų88.238%0.38248%0.477SS..PPolyproline II helixtrans-59.6148.5168.4-58.2-63.7000110.1Q30 Y34Q30-F77 HydrophobicContact CG-CB 3.57Å; Q30-F77 HydrophobicContact CG-CG 4.47Å; Y34-F77 VanDerWaalsContact CE2-O 3.27Å; Y34-F77 WeakPolarHBondContact CE2-O 3.49Å; Y34-F77 PolarHBondContact OH-O 2.92Å
78E92.1Very high88.2Confident171 Ų17192.6 Ų92.680%0.79950%0.5SS*.PPolyproline II helixtrans-64.3139.1177.7-66.1-178176.100110.8
79L89.3Confident87.8Confident42 Ų4292.7 Ų92.722%0.2251%0.507CS..PPolyproline II helixtrans-79.1123.3168.4-70.9169000108Q30 A31 Y34 I82Q30-L79 HydrophobicContact CB-CD2 3.64Å; A31-L79 HydrophobicContact CB-CD2 4.07Å; Y34-L79 HydrophobicContact CD1-CD1 3.68Å; Y34-L79 HydrophobicContact CD1-CG 4.46Å; Y34-L79 HydrophobicContact CD2-CD1 3.59Å; Y34-L79 HydrophobicContact CD2-CD2 3.89Å; Y34-L79 HydrophobicContact CD2-CG 3.59Å; Y34-L79 HydrophobicContact CE1-CD1 3.86Å; Y34-L79 HydrophobicContact CE1-CG 4.37Å; Y34-L79 HydrophobicContact CE2-CD1 3.8Å; Y34-L79 HydrophobicContact CE2-CD2 4.16Å; Y34-L79 HydrophobicContact CE2-CG 3.5Å; Y34-L79 HydrophobicContact CG-CD1 3.52Å; Y34-L79 HydrophobicContact CG-CD2 4.5Å; Y34-L79 HydrophobicContact CG-CG 4.09Å; L79-I82 HydrophobicContact CB-CD1 3.68Å; L79-I82 HydrophobicContact CB-CG1 3.5Å; L79-I82 HydrophobicContact CD1-CG1 4.45Å; L79-I82 WeakPolarHBondContact O-CD1 3.24Å; L79-I82 WeakPolarHBondContact O-CG1 3.45Å
80S82.6Confident87.4Confident73 Ų7392.8 Ų92.851%0.5152%0.515SS..SBendtrans-74.5159160.567.40000109.5I82S80-I82 PolarHBondContact O-N 3.15Å
81D77.3Confident87.2Confident126 Ų12693.3 Ų93.367%0.67452%0.519SS*.  trans60.140.6165.8-45.5-57.4000115.1N83 V84D81-N83 PolarHBondContact O-N 3.05Å; D81-N83 VanDerWaalsContact O-N 3.1Å; D81-V84 HydrophobicContact CB-CG2 3.72Å; D81-V84 WeakPolarHBondContact O-CG2 3.3Å
82I70.7Confident87Confident118 Ų11891.6 Ų91.661%0.60551%0.511SS*.THydrogen-bonded Turntrans-68.2-10.3-175.5-58.5172.9000113.5L79 S80L79-I82 HydrophobicContact CB-CD1 3.68Å; L79-I82 HydrophobicContact CB-CG1 3.5Å; L79-I82 HydrophobicContact CD1-CG1 4.45Å; L79-I82 WeakPolarHBondContact O-CD1 3.24Å; L79-I82 WeakPolarHBondContact O-CG1 3.45Å; S80-I82 PolarHBondContact O-N 3.15Å
83N74.8Confident86.8Confident156 Ų15689.6 Ų89.683%0.83450%0.503SS*.THydrogen-bonded Turntrans-125.839-176-64.9-51000113D81D81-N83 PolarHBondContact O-N 3.05Å; D81-N83 VanDerWaalsContact O-N 3.1Å
84V78.3Confident86.6Confident97 Ų9785.7 Ų85.759%0.58849%0.487SS*.PPolyproline II helixtrans-69.8133.5175.2177.60000110.1D81 V86D81-V84 HydrophobicContact CB-CG2 3.72Å; D81-V84 WeakPolarHBondContact O-CG2 3.3Å; V84-V86 PolarHBondContact O-N 3.34Å
85P82.5Confident86.3Confident116 Ų11686.8 Ų86.875%0.75349%0.486SS*.PPolyproline II helixtrans-55.1127.7174.8-26.334.6000112.1
86V83.6Confident86.1Confident99 Ų9983.7 Ų83.760%0.646%0.464SS*.PPolyproline II helixtrans-76.7130.2173.7179.70000108.6V84 V90 A91V84-V86 PolarHBondContact O-N 3.34Å; V86-V90 HydrophobicContact CG1-CB 3.65Å; V86-V90 HydrophobicContact CG1-CG1 3.52Å; V86-A91 HydrophobicContact CG1-CB 4.4Å
87T86.8Confident85.9Confident85 Ų8584.6 Ų84.652%0.52147%0.47SS..PPolyproline II helixtrans-67.5149.9177.268.90000110.9S89 V90 A91T87-S89 PolarHBondContact O-N 3.14Å; T87-S89 VanDerWaalsContact O-N 3.14Å; T87-V90 PolarHBondContact O-N 2.88Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.25Å; T87-V90 PolarHBondContact OG1-N 3.21Å; T87-A91 PolarHBondContact O-N 3Å
88L87.5Confident85.8Confident100 Ų10080.5 Ų80.552%0.52445%0.452SS..Hα-helixtrans-57.4-31.6177.7-177.161.3000112.4A91 N92 L119L88-A91 PolarHBondContact O-N 2.86Å; L88-N92 VanDerWaalsContact O-CB 3.25Å; L88-N92 WeakPolarHBondContact O-CB 3.45Å; L88-N92 PolarHBondContact O-N 3.45Å; L88-N92 PolarHBondContact O-ND2 2.87Å; L88-L119 HydrophobicContact CD1-CD2 4.09Å
89S88.6Confident85.7Confident83 Ų8374.9 Ų74.958%0.5843%0.43SS*.Hα-helixtrans-62.6-45.6175178.70000112.1T87 T93T87-S89 PolarHBondContact O-N 3.14Å; T87-S89 VanDerWaalsContact O-N 3.14Å; S89-T93 WeakPolarHBondContact O-CB 3.46Å; S89-T93 PolarHBondContact O-N 3.4Å; S89-T93 PolarHBondContact O-OG1 3.29Å
90V87.9Confident85.9Confident69 Ų6975.1 Ų75.142%0.41844%0.438SS..Hα-helixtrans-65.4-46.9176.3172.70000110.3V86 T87 N92 T93 I94V86-V90 HydrophobicContact CG1-CB 3.65Å; V86-V90 HydrophobicContact CG1-CG1 3.52Å; T87-V90 PolarHBondContact O-N 2.88Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.25Å; T87-V90 PolarHBondContact OG1-N 3.21Å; V90-N92 VanDerWaalsContact C-N 3.35Å; V90-N92 PolarHBondContact O-N 3.23Å; V90-T93 WeakPolarHBondContact O-CB 3.48Å; V90-T93 PolarHBondContact O-N 2.94Å; V90-T93 VanDerWaalsContact O-N 3.12Å; V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.4Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 3.44Å
91A88.7Confident86.2Confident15 Ų1574 Ų7412%0.12442%0.424CS..Hα-helixtrans-60.8-42.4179.200000112.4V86 T87 L88 I94 R95 L119V86-A91 HydrophobicContact CG1-CB 4.4Å; T87-A91 PolarHBondContact O-N 3Å; L88-A91 PolarHBondContact O-N 2.86Å; A91-I94 PolarHBondContact O-N 3.12Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 2.92Å; A91-L119 HydrophobicContact CB-CD2 3.76Å
92N89.2Confident86.8Confident22 Ų2274.9 Ų74.912%0.11842%0.418CS..Hα-helixtrans-64.5-39.4174.1-82.7-31.6000112.3L88 V90 R95 L96L88-N92 VanDerWaalsContact O-CB 3.25Å; L88-N92 WeakPolarHBondContact O-CB 3.45Å; L88-N92 PolarHBondContact O-N 3.45Å; L88-N92 PolarHBondContact O-ND2 2.87Å; V90-N92 VanDerWaalsContact C-N 3.35Å; V90-N92 PolarHBondContact O-N 3.23Å; N92-R95 PolarHBondContact O-N 3.37Å; N92-L96 WeakPolarHBondContact O-CB 3.42Å; N92-L96 VanDerWaalsContact O-CG 3.25Å; N92-L96 WeakPolarHBondContact O-CG 3.4Å; N92-L96 PolarHBondContact O-N 2.93Å
93T90.2Very high87.7Confident71 Ų7174.5 Ų74.544%0.43642%0.422SS..Hα-helixtrans-62.5-47.5176.9-59.60000110.7S89 V90 R95 L96 V97S89-T93 WeakPolarHBondContact O-CB 3.46Å; S89-T93 PolarHBondContact O-N 3.4Å; S89-T93 PolarHBondContact O-OG1 3.29Å; V90-T93 WeakPolarHBondContact O-CB 3.48Å; V90-T93 PolarHBondContact O-N 2.94Å; V90-T93 VanDerWaalsContact O-N 3.12Å; T93-R95 VanDerWaalsContact C-N 3.33Å; T93-R95 PolarHBondContact O-N 2.98Å; T93-L96 PolarHBondContact O-N 3.2Å; T93-V97 WeakPolarHBondContact O-CG2 3.23Å; T93-V97 PolarHBondContact O-N 3.43Å
94I89.4Confident88.4Confident69 Ų6972.5 Ų72.535%0.35441%0.407SS..Hα-helixtrans-59.8-44.6175.9-63.7169.3000110.4V90 A91 L96 V97 A98 F111 I115V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.4Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 3.44Å; A91-I94 PolarHBondContact O-N 3.12Å; I94-L96 PolarHBondContact O-N 3.32Å; I94-V97 PolarHBondContact O-N 3.32Å; I94-A98 WeakPolarHBondContact O-CB 3.45Å; I94-A98 PolarHBondContact O-N 2.91Å; I94-F111 HydrophobicContact CG2-CE1 3.66Å; I94-F111 HydrophobicContact CG2-CZ 3.59Å; I94-I115 HydrophobicContact CG2-CD1 3.65Å; I94-I115 HydrophobicContact CG2-CG1 4.28Å
95R89.8Confident88.9Confident91 Ų9171.5 Ų71.534%0.34339%0.393SS..Hα-helixtrans-59.9-43.5176.7-170.3-176.76981-3112.3A91 N92 T93 T99 L112 I115A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 2.92Å; N92-R95 PolarHBondContact O-N 3.37Å; T93-R95 VanDerWaalsContact C-N 3.33Å; T93-R95 PolarHBondContact O-N 2.98Å; R95-T99 WeakPolarHBondContact O-CB 3.43Å; R95-T99 PolarHBondContact O-N 3.23Å; R95-T99 PolarHBondContact O-OG1 3.37Å; R95-L112 HydrophobicContact CG-CD2 4.21Å; R95-I115 HydrophobicContact CB-CG2 4.17Å; R95-I115 HydrophobicContact CG-CG2 4.49Å
96L91.1Very high89.3Confident35 Ų3573.6 Ų73.618%0.18339%0.393CS..Hα-helixtrans-64.9-45.4178.9-74169.3000111.3N92 T93 I94 T99 A100 V131 I135N92-L96 WeakPolarHBondContact O-CB 3.42Å; N92-L96 VanDerWaalsContact O-CG 3.25Å; N92-L96 WeakPolarHBondContact O-CG 3.4Å; N92-L96 PolarHBondContact O-N 2.93Å; T93-L96 PolarHBondContact O-N 3.2Å; I94-L96 PolarHBondContact O-N 3.32Å; L96-T99 PolarHBondContact O-N 3.45Å; L96-A100 WeakPolarHBondContact O-CB 3.4Å; L96-A100 PolarHBondContact O-N 3.08Å; L96-V131 HydrophobicContact CD2-CG2 4.34Å; L96-I135 HydrophobicContact CB-CD1 4.06Å; L96-I135 HydrophobicContact CD1-CD1 3.89Å; L96-I135 HydrophobicContact CD2-CD1 4.22Å; L96-I135 HydrophobicContact CG-CD1 4.29Å
97V90Very high89.5Confident51 Ų5171.9 Ų71.931%0.30938%0.384SS..Hα-helixtrans-60.7-48.8175.9173.10000110.6T93 I94 T99 A100 H101T93-V97 WeakPolarHBondContact O-CG2 3.23Å; T93-V97 PolarHBondContact O-N 3.43Å; I94-V97 PolarHBondContact O-N 3.32Å; V97-T99 VanDerWaalsContact C-N 3.29Å; V97-T99 PolarHBondContact O-N 3.27Å; V97-A100 PolarHBondContact O-N 2.98Å; V97-H101 PolarHBondContact O-CD2 3.21Å; V97-H101 VanDerWaalsContact O-CD2 3.32Å; V97-H101 PolarHBondContact O-N 3.46Å; V97-H101 VanDerWaalsContact O-N 3.11Å
98A90.6Very high89.7Confident1 Ų169.9 Ų69.91%0.00837%0.369CS..Hα-helixtrans-61.1-38.517800000112.2I94 H101 R102 M108 F111 L112 I115I94-A98 WeakPolarHBondContact O-CB 3.45Å; I94-A98 PolarHBondContact O-N 2.91Å; A98-H101 PolarHBondContact O-N 3.26Å; A98-R102 PolarHBondContact O-N 3.42Å; A98-M108 HydrophobicContact CB-SD 4.36Å; A98-F111 HydrophobicContact CB-CD1 3.68Å; A98-F111 HydrophobicContact CB-CE1 4.02Å; A98-L112 HydrophobicContact CB-CD2 3.6Å; A98-L112 HydrophobicContact CB-CG 3.86Å; A98-I115 HydrophobicContact CB-CD1 4.11Å
99T91.8Very high89.7Confident53 Ų5368.7 Ų68.733%0.32537%0.37SS..Hα-helixtrans-66-41.7176.3-57.20000111.6R95 L96 V97 H101 R102R95-T99 WeakPolarHBondContact O-CB 3.43Å; R95-T99 PolarHBondContact O-N 3.23Å; R95-T99 PolarHBondContact O-OG1 3.37Å; L96-T99 PolarHBondContact O-N 3.45Å; V97-T99 VanDerWaalsContact C-N 3.29Å; V97-T99 PolarHBondContact O-N 3.27Å; T99-H101 VanDerWaalsContact C-N 3.28Å; T99-H101 PolarHBondContact O-N 3.37Å; T99-R102 WeakPolarHBondContact O-CD 3.31Å; T99-R102 VanDerWaalsContact O-CG 3.24Å; T99-R102 WeakPolarHBondContact O-CG 3.19Å; T99-R102 PolarHBondContact O-N 3.26Å
100A92Very high89.8Confident47 Ų4768.1 Ų68.139%0.38837%0.37SS..Hα-helixtrans-65.5-31.2179.200000112.7L96 V97 Q104L96-A100 WeakPolarHBondContact O-CB 3.4Å; L96-A100 PolarHBondContact O-N 3.08Å; V97-A100 PolarHBondContact O-N 2.98Å; A100-Q104 PolarHBondContact O-OE1 3.32Å
101H89.7Confident89.9Confident49 Ų4969.3 Ų69.323%0.22737%0.37CS..Hα-helixtrans-95.1-1.9-177.5-79.8-69.2000114.9V97 A98 T99 T103 Q104 W105 M108V97-H101 PolarHBondContact O-CD2 3.21Å; V97-H101 VanDerWaalsContact O-CD2 3.32Å; V97-H101 PolarHBondContact O-N 3.46Å; V97-H101 VanDerWaalsContact O-N 3.11Å; A98-H101 PolarHBondContact O-N 3.26Å; T99-H101 VanDerWaalsContact C-N 3.28Å; T99-H101 PolarHBondContact O-N 3.37Å; H101-T103 PolarHBondContact O-N 3.45Å; H101-T103 VanDerWaalsContact O-N 3.17Å; H101-Q104 VanDerWaalsContact C-OE1 3.28Å; H101-Q104 PolarHBondContact O-N 3.03Å; H101-Q104 PolarHBondContact O-OE1 3.48Å; H101-W105 AromaticContact ND1-CD1 3.82Å; H101-W105 AromaticContact ND1-NE1 3.8Å; H101-W105 PolarHBondContact O-N 3.09Å; H101-M108 HydrophobicContact CB-CG 4.05Å; H101-M108 HydrophobicContact CB-SD 4.45Å
102R89.2Confident90Very high145 Ų14570.3 Ų70.355%0.54737%0.373SS..THydrogen-bonded Turntrans-64.5-21.3-17378.9-171.7179.21321115.3A98 T99 M108 L112A98-R102 PolarHBondContact O-N 3.42Å; T99-R102 WeakPolarHBondContact O-CD 3.31Å; T99-R102 VanDerWaalsContact O-CG 3.24Å; T99-R102 WeakPolarHBondContact O-CG 3.19Å; T99-R102 PolarHBondContact O-N 3.26Å; R102-M108 HydrophobicContact CB-CB 4.3Å; R102-L112 HydrophobicContact CB-CD1 4.19Å
103T89.5Confident90.1Very high111 Ų11171.2 Ų71.268%0.68139%0.388SS*.THydrogen-bonded Turntrans-86.6-24.2-179.854.90000112.2H101H101-T103 PolarHBondContact O-N 3.45Å; H101-T103 VanDerWaalsContact O-N 3.17Å
104Q89.3Confident90.1Very high113 Ų11371.7 Ų71.753%0.52839%0.391SS..THydrogen-bonded Turntrans-96.6-23.5179.7-55.986.9-13.300112.7A100 H101A100-Q104 PolarHBondContact O-OE1 3.32Å; H101-Q104 VanDerWaalsContact C-OE1 3.28Å; H101-Q104 PolarHBondContact O-N 3.03Å; H101-Q104 PolarHBondContact O-OE1 3.48Å
105W89.9Confident89.9Confident77 Ų7769.3 Ų69.329%0.29238%0.378SS..  trans-130.3110.1-173.9-59.995.9000111.2E2 F3 H101 C107 M108E2-W105 HydrophobicContact CB-CE3 4.14Å; E2-W105 HydrophobicContact CB-CZ3 4.31Å; E2-W105 HydrophobicContact CG-CE3 3.82Å; E2-W105 HydrophobicContact CG-CZ3 4.15Å; E2-W105 VanDerWaalsContact OE1-CA 3.32Å; E2-W105 WeakPolarHBondContact OE1-CA 3.19Å; F3-W105 HydrophobicContact CB-CH2 3.64Å; F3-W105 HydrophobicContact CB-CZ3 3.59Å; F3-W105 AromaticContact CD2-CH2 3.38Å; F3-W105 HydrophobicContact CD2-CH2 3.38Å; F3-W105 HydrophobicContact CD2-CZ2 4.42Å; F3-W105 AromaticContact CD2-CZ3 3.99Å; F3-W105 HydrophobicContact CD2-CZ3 3.99Å; F3-W105 HydrophobicContact CE2-CH2 4.32Å; F3-W105 AromaticContact CG-CH2 3.76Å; F3-W105 HydrophobicContact CG-CH2 3.76Å; F3-W105 HydrophobicContact CG-CZ3 4.2Å; H101-W105 AromaticContact ND1-CD1 3.82Å; H101-W105 AromaticContact ND1-NE1 3.8Å; H101-W105 PolarHBondContact O-N 3.09Å; W105-C107 VanDerWaalsContact C-N 3.25Å; W105-C107 PolarHBondContact O-N 2.79Å; W105-M108 HydrophobicContact CB-CB 4.43Å; W105-M108 HydrophobicContact CB-CE 4.27Å; W105-M108 HydrophobicContact CB-CG 3.54Å; W105-M108 HydrophobicContact CG-CE 4.48Å; W105-M108 HydrophobicContact CG-CG 4.41Å; W105-M108 VanDerWaalsContact O-CB 3.32Å; W105-M108 WeakPolarHBondContact O-CB 3.43Å; W105-M108 PolarHBondContact O-N 3.02Å; W105-M108 VanDerWaalsContact O-N 3.09Å
106H89.4Confident89.8Confident160 Ų16067.2 Ų67.274%0.74138%0.38SS*.THydrogen-bonded Turntrans-59.3-35.7179.5-62.3-55.9000112.4E2 M108 S109E2-H106 VanDerWaalsContact CD-N 3.31Å; E2-H106 IonicContact OE1-CD2 3.35Å; E2-H106 PolarHBondContact OE1-CD2 3.41Å; E2-H106 IonicContact OE1-CG 3.65Å; E2-H106 PolarHBondContact OE1-N 3.18Å; E2-H106 PolarHBondContact OE2-N 2.92Å; E2-H106 VanDerWaalsContact OE2-N 3.09Å; H106-M108 PolarHBondContact O-N 2.84Å; H106-S109 PolarHBondContact O-N 2.85Å
107C89.1Confident89.5Confident63 Ų6368.6 Ų68.643%0.42639%0.393SS..Hα-helixtrans-62.4-23178.264.90000113.4E2 W105 S109 A110 F111E2-C107 WeakPolarHBondContact OE2-CB 3.31Å; E2-C107 PolarHBondContact OE2-N 2.86Å; E2-C107 PolarHBondContact OE2-SG 3Å; W105-C107 VanDerWaalsContact C-N 3.25Å; W105-C107 PolarHBondContact O-N 2.79Å; C107-S109 VanDerWaalsContact C-N 3.27Å; C107-S109 PolarHBondContact O-N 2.81Å; C107-A110 PolarHBondContact O-N 3.02Å; C107-F111 PolarHBondContact O-N 3.14Å
108M90Very high89.1Confident42 Ų4269.6 Ų69.621%0.20740%0.401CS..Hα-helixtrans-67.3-27.6-179-65.2-64.9151.500112.7A98 H101 R102 W105 H106 F111 L112A98-M108 HydrophobicContact CB-SD 4.36Å; H101-M108 HydrophobicContact CB-CG 4.05Å; H101-M108 HydrophobicContact CB-SD 4.45Å; R102-M108 HydrophobicContact CB-CB 4.3Å; W105-M108 HydrophobicContact CB-CB 4.43Å; W105-M108 HydrophobicContact CB-CE 4.27Å; W105-M108 HydrophobicContact CB-CG 3.54Å; W105-M108 HydrophobicContact CG-CE 4.48Å; W105-M108 HydrophobicContact CG-CG 4.41Å; W105-M108 VanDerWaalsContact O-CB 3.32Å; W105-M108 WeakPolarHBondContact O-CB 3.43Å; W105-M108 PolarHBondContact O-N 3.02Å; W105-M108 VanDerWaalsContact O-N 3.09Å; H106-M108 PolarHBondContact O-N 2.84Å; M108-F111 PolarHBondContact O-N 3.33Å; M108-F111 HydrophobicContact SD-CD1 4.16Å; M108-L112 WeakPolarHBondContact O-CB 3.27Å; M108-L112 VanDerWaalsContact O-CG 3.27Å; M108-L112 WeakPolarHBondContact O-CG 3.26Å; M108-L112 PolarHBondContact O-N 3.48Å
109S88.5Confident88.6Confident75 Ų7571.5 Ų71.552%0.52441%0.411SS..Hα-helixtrans-65.7-43.1176-65.20000111.7H106 C107 G113H106-S109 PolarHBondContact O-N 2.85Å; C107-S109 VanDerWaalsContact C-N 3.27Å; C107-S109 PolarHBondContact O-N 2.81Å; S109-G113 PolarHBondContact O-N 2.95Å
110A90.6Very high87.7Confident71 Ų7176 Ų7659%0.58743%0.433SS*.Hα-helixtrans-65.9-42.117400000111.1C107 L112 G113 T114C107-A110 PolarHBondContact O-N 3.02Å; A110-L112 PolarHBondContact O-N 3.4Å; A110-G113 PolarHBondContact O-N 3.39Å; A110-G113 VanDerWaalsContact O-N 3.15Å; A110-T114 PolarHBondContact O-N 3.39Å; A110-T114 VanDerWaalsContact O-N 3.12Å; A110-T114 PolarHBondContact O-OG1 3.47Å
111F90Very high86.4Confident95 Ų9579.5 Ų79.542%0.41745%0.449SS..Hα-helixtrans-62-41.6177.7-174.8-125.9000112.8I94 A98 C107 M108 G113 T114 I115I94-F111 HydrophobicContact CG2-CE1 3.66Å; I94-F111 HydrophobicContact CG2-CZ 3.59Å; A98-F111 HydrophobicContact CB-CD1 3.68Å; A98-F111 HydrophobicContact CB-CE1 4.02Å; C107-F111 PolarHBondContact O-N 3.14Å; M108-F111 PolarHBondContact O-N 3.33Å; M108-F111 HydrophobicContact SD-CD1 4.16Å; F111-G113 VanDerWaalsContact C-N 3.3Å; F111-G113 PolarHBondContact O-N 3.03Å; F111-T114 WeakPolarHBondContact O-CB 3.34Å; F111-T114 PolarHBondContact O-N 3.42Å; F111-I115 HydrophobicContact CD1-CD1 3.81Å; F111-I115 HydrophobicContact CE1-CD1 3.61Å; F111-I115 HydrophobicContact CE1-CG1 4.43Å; F111-I115 HydrophobicContact CE2-CD1 4.4Å; F111-I115 HydrophobicContact CE2-CG1 4.4Å; F111-I115 HydrophobicContact CG-CD1 4.3Å; F111-I115 HydrophobicContact CZ-CD1 3.92Å; F111-I115 HydrophobicContact CZ-CG1 4.29Å; F111-I115 WeakPolarHBondContact O-CG1 3.37Å; F111-I115 PolarHBondContact O-N 3.19Å
112L90.9Very high84.9Confident35 Ų3581.6 Ų81.618%0.18347%0.465CS..Hα-helixtrans-60.3-39.2173.2-78168.5000112.2R95 A98 R102 M108 A110 T114 I115 A116R95-L112 HydrophobicContact CG-CD2 4.21Å; A98-L112 HydrophobicContact CB-CD2 3.6Å; A98-L112 HydrophobicContact CB-CG 3.86Å; R102-L112 HydrophobicContact CB-CD1 4.19Å; M108-L112 WeakPolarHBondContact O-CB 3.27Å; M108-L112 VanDerWaalsContact O-CG 3.27Å; M108-L112 WeakPolarHBondContact O-CG 3.26Å; M108-L112 PolarHBondContact O-N 3.48Å; A110-L112 PolarHBondContact O-N 3.4Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-I115 PolarHBondContact O-N 2.78Å; L112-A116 WeakPolarHBondContact O-CB 3.21Å; L112-A116 PolarHBondContact O-N 3.45Å
113G90.6Very high83Confident42 Ų4282.7 Ų82.743%0.43348%0.477SS..Hα-helixtrans-59-44.6173.400000112.4S109 A110 F111 A116 S117S109-G113 PolarHBondContact O-N 2.95Å; A110-G113 PolarHBondContact O-N 3.39Å; A110-G113 VanDerWaalsContact O-N 3.15Å; F111-G113 VanDerWaalsContact C-N 3.3Å; F111-G113 PolarHBondContact O-N 3.03Å; G113-A116 PolarHBondContact O-N 3.07Å; G113-S117 PolarHBondContact O-N 3.41Å
114T89.6Confident80.7Confident81 Ų8182.5 Ų82.550%0.49748%0.48SS..Hα-helixtrans-65.1-41.4176.2-53.80000112.6A110 F111 L112 A116 S117 C118A110-T114 PolarHBondContact O-N 3.39Å; A110-T114 VanDerWaalsContact O-N 3.12Å; A110-T114 PolarHBondContact O-OG1 3.47Å; F111-T114 WeakPolarHBondContact O-CB 3.34Å; F111-T114 PolarHBondContact O-N 3.42Å; L112-T114 VanDerWaalsContact C-N 3.34Å; T114-A116 VanDerWaalsContact C-N 3.33Å; T114-A116 PolarHBondContact O-N 3.34Å; T114-S117 PolarHBondContact O-N 3Å; T114-S117 PolarHBondContact O-OG 3.32Å; T114-C118 PolarHBondContact O-N 3.42Å; T114-C118 VanDerWaalsContact O-N 3.1Å; T114-C118 PolarHBondContact O-SG 3.47Å
115I87.1Confident78.3Confident18 Ų1888 Ų889%0.09250%0.496CS..Hα-helixtrans-63.7-42.8176.7-63.2160.1000110.4I94 R95 A98 F111 L112 C118 L119I94-I115 HydrophobicContact CG2-CD1 3.65Å; I94-I115 HydrophobicContact CG2-CG1 4.28Å; R95-I115 HydrophobicContact CB-CG2 4.17Å; R95-I115 HydrophobicContact CG-CG2 4.49Å; A98-I115 HydrophobicContact CB-CD1 4.11Å; F111-I115 HydrophobicContact CD1-CD1 3.81Å; F111-I115 HydrophobicContact CE1-CD1 3.61Å; F111-I115 HydrophobicContact CE1-CG1 4.43Å; F111-I115 HydrophobicContact CE2-CD1 4.4Å; F111-I115 HydrophobicContact CE2-CG1 4.4Å; F111-I115 HydrophobicContact CG-CD1 4.3Å; F111-I115 HydrophobicContact CZ-CD1 3.92Å; F111-I115 HydrophobicContact CZ-CG1 4.29Å; F111-I115 WeakPolarHBondContact O-CG1 3.37Å; F111-I115 PolarHBondContact O-N 3.19Å; L112-I115 PolarHBondContact O-N 2.78Å; I115-C118 PolarHBondContact O-N 2.94Å; I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CG 3.31Å; I115-L119 PolarHBondContact O-N 2.8Å
116A87.3Confident76.2Confident47 Ų4789.8 Ų89.839%0.38852%0.517SS..Hα-helixtrans-62.9-42.7179.300000111.8L112 G113 T114 L119 L120L112-A116 WeakPolarHBondContact O-CB 3.21Å; L112-A116 PolarHBondContact O-N 3.45Å; G113-A116 PolarHBondContact O-N 3.07Å; T114-A116 VanDerWaalsContact C-N 3.33Å; T114-A116 PolarHBondContact O-N 3.34Å; A116-L119 PolarHBondContact O-N 3.26Å; A116-L120 VanDerWaalsContact O-CG 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.04Å; A116-L120 PolarHBondContact O-N 3.37Å
117S85.1Confident73.9Confident65 Ų6586.8 Ų86.846%0.45551%0.514SS..Hα-helixtrans-63.4-42.3176.665.70000111.8G113 T114 L120 T121G113-S117 PolarHBondContact O-N 3.41Å; T114-S117 PolarHBondContact O-N 3Å; T114-S117 PolarHBondContact O-OG 3.32Å; S117-L120 PolarHBondContact O-N 2.62Å; S117-T121 WeakPolarHBondContact O-CG2 3.31Å; S117-T121 PolarHBondContact O-N 2.94Å
118C81.7Confident71.2Confident71 Ų7191.7 Ų91.748%0.4854%0.537SS..Hα-helixtrans-61.6-44.5175.1-66.90000112T114 I115 L120 T121 T122T114-C118 PolarHBondContact O-N 3.42Å; T114-C118 VanDerWaalsContact O-N 3.1Å; T114-C118 PolarHBondContact O-SG 3.47Å; I115-C118 PolarHBondContact O-N 2.94Å; C118-L120 PolarHBondContact O-N 2.92Å; C118-T121 PolarHBondContact O-N 3.22Å; C118-T121 PolarHBondContact O-OG1 2.99Å; C118-T122 WeakPolarHBondContact O-CG2 3.18Å; C118-T122 PolarHBondContact O-N 3.24Å; C118-T122 PolarHBondContact O-OG1 3.15Å
119L79.4Confident68.9Low41 Ų4194 Ų9422%0.21555%0.553CS.*Hα-helixtrans-65.7-36.8-179.6-75.6173.6000113.2L88 A91 I115 A116 T121 T122L88-L119 HydrophobicContact CD1-CD2 4.09Å; A91-L119 HydrophobicContact CB-CD2 3.76Å; I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CG 3.31Å; I115-L119 PolarHBondContact O-N 2.8Å; A116-L119 PolarHBondContact O-N 3.26Å; L119-T121 PolarHBondContact O-N 2.78Å; L119-T122 WeakPolarHBondContact CA-OG1 2.92Å; L119-T122 PolarHBondContact O-N 3.11Å; L119-T122 PolarHBondContact O-OG1 2.7Å
120L72.9Confident66.5Low149 Ų14996.2 Ų96.278%0.7856%0.563SS**Hα-helixtrans-65.3-29.4176.9-71.9172.3000112.4A116 S117 C118 T122A116-L120 VanDerWaalsContact O-CG 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.04Å; A116-L120 PolarHBondContact O-N 3.37Å; S117-L120 PolarHBondContact O-N 2.62Å; C118-L120 PolarHBondContact O-N 2.92Å; L120-T122 VanDerWaalsContact C-N 3.3Å
121T65Low64Low120 Ų12096.9 Ų96.974%0.73656%0.56SS**Hα-helixtrans-76.2-17.2175.8600000113.6S117 C118 L119S117-T121 WeakPolarHBondContact O-CG2 3.31Å; S117-T121 PolarHBondContact O-N 2.94Å; C118-T121 PolarHBondContact O-N 3.22Å; C118-T121 PolarHBondContact O-OG1 2.99Å; L119-T121 PolarHBondContact O-N 2.78Å
122T58.3Low61.4Low92 Ų9295.7 Ų95.756%0.56456%0.562SS**Hα-helixtrans-102-31.5-16649.80000116.4C118 L119 L120C118-T122 WeakPolarHBondContact O-CG2 3.18Å; C118-T122 PolarHBondContact O-N 3.24Å; C118-T122 PolarHBondContact O-OG1 3.15Å; L119-T122 WeakPolarHBondContact CA-OG1 2.92Å; L119-T122 PolarHBondContact O-N 3.11Å; L119-T122 PolarHBondContact O-OG1 2.7Å; L120-T122 VanDerWaalsContact C-N 3.3Å
123E49.8Very low59Low168 Ų168103.8 Ų103.879%0.78560%0.595SS**  trans-178.4146.5168.9-110162.3-150.900113.7
124S39.5Very low56.7Low107 Ų107105.3 Ų105.375%0.74859%0.59SS**SBendtrans-44.3126.8164.940.40000114.5
125R40.4Very low54.3Low228 Ų228105.6 Ų105.686%0.8659%0.588SS**  trans67.3104166.9-65.9-179.9175.7166.7-1117.1S127R125-S127 PolarHBondContact O-N 3.31Å
126P45.3Very low51.7Low115 Ų115107.8 Ų107.875%0.74762%0.615SS**  trans-79.797.315631.3-24.1000108
127S40.9Very low49.2Very low97 Ų97110.4 Ų110.468%0.67862%0.622SS**  trans-59136.7165.142.80000110R125 V129R125-S127 PolarHBondContact O-N 3.31Å; S127-V129 WeakPolarHBondContact O-CG2 3.45Å; S127-V129 PolarHBondContact O-N 2.89Å
128D32.8Very low46.8Very low167 Ų167116.6 Ų116.689%0.89364%0.644SS**  trans-32.7102.1179.6-80.1-48.5000113.8
129V41.3Very low44.6Very low89 Ų89119.2 Ų119.254%0.53965%0.652SS.*  trans-102.1103.1165.3-175.60000107.1S127S127-V129 WeakPolarHBondContact O-CG2 3.45Å; S127-V129 PolarHBondContact O-N 2.89Å
130T38.2Very low42.3Very low122 Ų122119.5 Ų119.575%0.74865%0.653SS**PPolyproline II helixtrans-56.5135.5169.732.10000110P132T130-P132 VanDerWaalsContact O-CD 3.26Å; T130-P132 WeakPolarHBondContact O-CD 3.07Å; T130-P132 VanDerWaalsContact O-N 3.09Å
131V37.9Very low40.3Very low86 Ų86116.3 Ų116.352%0.52164%0.637SS.*PPolyproline II helixtrans-51.7117.3172-176.90000107.4L96 K133 I135L96-V131 HydrophobicContact CD2-CG2 4.34Å; V131-K133 PolarHBondContact O-N 2.79Å; V131-I135 HydrophobicContact CG1-CB 3.79Å; V131-I135 HydrophobicContact CG1-CD1 3.63Å; V131-I135 HydrophobicContact CG1-CG1 4.22Å; V131-I135 HydrophobicContact CG1-CG2 4.12Å
132P36.4Very low38.6Very low70 Ų70117.5 Ų117.546%0.45563%0.632SS.*PPolyproline II helixtrans-55.7131173.7-22.932.7000108T130 F134 I135T130-P132 VanDerWaalsContact O-CD 3.26Å; T130-P132 WeakPolarHBondContact O-CD 3.07Å; T130-P132 VanDerWaalsContact O-N 3.09Å; P132-F134 HydrophobicContact CB-CB 4.29Å; P132-F134 PolarHBondContact O-N 3.36Å; P132-I135 PolarHBondContact O-N 2.98Å
133K40.2Very low37.3Very low204 Ų204115.4 Ų115.489%0.88762%0.623SS**G310 helixtrans-49.3-17.4179.1-76.6-179.6175.1178.70113.8V131 I135 G136V131-K133 PolarHBondContact O-N 2.79Å; K133-I135 PolarHBondContact O-N 3.29Å; K133-G136 PolarHBondContact O-N 3.1Å; K133-G136 VanDerWaalsContact O-N 3.11Å
134F41.9Very low36.4Very low75 Ų75116.1 Ų116.133%0.32962%0.62SS.*G310 helixtrans-57.8-20.1172.4-161.6-93.3000115.7P132 G136 L140 A143 Y144P132-F134 HydrophobicContact CB-CB 4.29Å; P132-F134 PolarHBondContact O-N 3.36Å; F134-G136 VanDerWaalsContact C-N 3.27Å; F134-L140 HydrophobicContact CD1-CB 3.77Å; F134-L140 HydrophobicContact CD1-CD1 4.27Å; F134-L140 HydrophobicContact CD1-CG 4.44Å; F134-L140 HydrophobicContact CD2-CB 4.29Å; F134-L140 HydrophobicContact CD2-CD1 3.41Å; F134-L140 VanDerWaalsContact CD2-CD1 3.41Å; F134-L140 HydrophobicContact CD2-CD2 4.05Å; F134-L140 HydrophobicContact CD2-CG 4.07Å; F134-L140 HydrophobicContact CE1-CB 3.42Å; F134-L140 VanDerWaalsContact CE1-CB 3.42Å; F134-L140 HydrophobicContact CE1-CD1 4.36Å; F134-L140 HydrophobicContact CE1-CD2 4.06Å; F134-L140 HydrophobicContact CE1-CG 4.09Å; F134-L140 WeakPolarHBondContact CE1-O 3.3Å; F134-L140 HydrophobicContact CE2-CB 3.97Å; F134-L140 HydrophobicContact CE2-CD1 3.5Å; F134-L140 HydrophobicContact CE2-CD2 3.17Å; F134-L140 HydrophobicContact CE2-CG 3.66Å; F134-L140 HydrophobicContact CG-CB 4.19Å; F134-L140 HydrophobicContact CG-CD1 3.83Å; F134-L140 HydrophobicContact CG-CG 4.44Å; F134-L140 HydrophobicContact CZ-CB 3.53Å; F134-L140 HydrophobicContact CZ-CD1 4Å; F134-L140 HydrophobicContact CZ-CD2 3.19Å; F134-L140 HydrophobicContact CZ-CG 3.69Å; F134-A143 HydrophobicContact CZ-CB 4.09Å; F134-Y144 HydrophobicContact CD1-CD2 4.33Å; F134-Y144 HydrophobicContact CD1-CE2 4.16Å; F134-Y144 AromaticContact CE1-CD2 3.41Å; F134-Y144 HydrophobicContact CE1-CD2 3.41Å; F134-Y144 VanDerWaalsContact CE1-CD2 3.41Å; F134-Y144 AromaticContact CE1-CE2 3.45Å; F134-Y144 HydrophobicContact CE1-CE2 3.45Å; F134-Y144 VanDerWaalsContact CE1-CE2 3.45Å; F134-Y144 HydrophobicContact CE2-CE2 4.33Å; F134-Y144 AromaticContact CZ-CD2 3.75Å; F134-Y144 HydrophobicContact CZ-CD2 3.75Å; F134-Y144 AromaticContact CZ-CE2 3.55Å; F134-Y144 HydrophobicContact CZ-CE2 3.55Å
135I38.7Very low36.1Very low87 Ų87117.3 Ų117.345%0.44661%0.608SS.*G310 helixtrans-81.7-7.6176.5-69165.9000111.8L96 V131 P132 K133L96-I135 HydrophobicContact CB-CD1 4.06Å; L96-I135 HydrophobicContact CD1-CD1 3.89Å; L96-I135 HydrophobicContact CD2-CD1 4.22Å; L96-I135 HydrophobicContact CG-CD1 4.29Å; V131-I135 HydrophobicContact CG1-CB 3.79Å; V131-I135 HydrophobicContact CG1-CD1 3.63Å; V131-I135 HydrophobicContact CG1-CG1 4.22Å; V131-I135 HydrophobicContact CG1-CG2 4.12Å; P132-I135 PolarHBondContact O-N 2.98Å; K133-I135 PolarHBondContact O-N 3.29Å
136G33.3Very low35.7Very low63 Ų63112.4 Ų112.465%0.64959%0.593SS**G310 helixtrans-83.7-10.9-174.200000117K133 F134K133-G136 PolarHBondContact O-N 3.1Å; K133-G136 VanDerWaalsContact O-N 3.11Å; F134-G136 VanDerWaalsContact C-N 3.27Å
137D34.9Very low35.3Very low103 Ų103110 Ų11055%0.55158%0.575SS**SBendtrans-123123.6177.9-67-39.5000109.4I139 L140D137-I139 PolarHBondContact O-N 3.26Å; D137-L140 PolarHBondContact O-N 3.21Å; D137-L140 VanDerWaalsContact O-N 3.15Å
138Q34.9Very low35.8Very low194 Ų194108.7 Ų108.791%0.90756%0.559SS**THydrogen-bonded Turntrans-50.8-4.8176.3-76.5-169.7-21.800115.1
139I34.4Very low36.5Very low127 Ų127102.2 Ų102.265%0.65152%0.524SS*.THydrogen-bonded Turntrans-87.8-20.9-174.2-64.3170.2000111.8D137D137-I139 PolarHBondContact O-N 3.26Å
140L31.2Very low37.2Very low47 Ų47102.3 Ų102.325%0.24652%0.517CS..SBendtrans-104.2-15.9-163.3-82.3170.9000115.8F134 D137 K142 A143F134-L140 HydrophobicContact CD1-CB 3.77Å; F134-L140 HydrophobicContact CD1-CD1 4.27Å; F134-L140 HydrophobicContact CD1-CG 4.44Å; F134-L140 HydrophobicContact CD2-CB 4.29Å; F134-L140 HydrophobicContact CD2-CD1 3.41Å; F134-L140 VanDerWaalsContact CD2-CD1 3.41Å; F134-L140 HydrophobicContact CD2-CD2 4.05Å; F134-L140 HydrophobicContact CD2-CG 4.07Å; F134-L140 HydrophobicContact CE1-CB 3.42Å; F134-L140 VanDerWaalsContact CE1-CB 3.42Å; F134-L140 HydrophobicContact CE1-CD1 4.36Å; F134-L140 HydrophobicContact CE1-CD2 4.06Å; F134-L140 HydrophobicContact CE1-CG 4.09Å; F134-L140 WeakPolarHBondContact CE1-O 3.3Å; F134-L140 HydrophobicContact CE2-CB 3.97Å; F134-L140 HydrophobicContact CE2-CD1 3.5Å; F134-L140 HydrophobicContact CE2-CD2 3.17Å; F134-L140 HydrophobicContact CE2-CG 3.66Å; F134-L140 HydrophobicContact CG-CB 4.19Å; F134-L140 HydrophobicContact CG-CD1 3.83Å; F134-L140 HydrophobicContact CG-CG 4.44Å; F134-L140 HydrophobicContact CZ-CB 3.53Å; F134-L140 HydrophobicContact CZ-CD1 4Å; F134-L140 HydrophobicContact CZ-CD2 3.19Å; F134-L140 HydrophobicContact CZ-CG 3.69Å; D137-L140 PolarHBondContact O-N 3.21Å; D137-L140 VanDerWaalsContact O-N 3.15Å; L140-K142 PolarHBondContact O-N 3.12Å; L140-A143 HydrophobicContact CD2-CB 4.23Å; L140-A143 PolarHBondContact O-N 3.44Å
141L30.8Very low38Very low82 Ų8297.9 Ų97.943%0.42949%0.49SS..Hα-helixtrans-56.2-28.1162-97.7154.3000111.4A143 W145L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.33Å; L141-W145 VanDerWaalsContact O-CB 3.23Å; L141-W145 WeakPolarHBondContact O-CB 3.29Å; L141-W145 PolarHBondContact O-N 3Å
142K28.8Very low38.5Very low145 Ų14596 Ų9663%0.6348%0.481SS*.Hα-helixtrans-61.3-40.5172.8-67.5-178176.6178.40112L140 W145 F146L140-K142 PolarHBondContact O-N 3.12Å; K142-W145 PolarHBondContact O-N 2.93Å; K142-F146 HydrophobicContact CB-CE2 4.21Å; K142-F146 WeakPolarHBondContact O-CD2 3.5Å; K142-F146 PolarHBondContact O-N 3.38Å
143A31.5Very low39Very low47 Ų4796.5 Ų96.539%0.38848%0.476SS..Hα-helixtrans-73.1-36.1-167.700000114.8F134 L140 L141F134-A143 HydrophobicContact CZ-CB 4.09Å; L140-A143 HydrophobicContact CD2-CB 4.23Å; L140-A143 PolarHBondContact O-N 3.44Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.33Å
144Y30.3Very low39Very low183 Ų18394.6 Ų94.672%0.71848%0.475SS*.Hα-helixtrans-86.1-19174.2-79.5-92.3000113F134 F146F134-Y144 HydrophobicContact CD1-CD2 4.33Å; F134-Y144 HydrophobicContact CD1-CE2 4.16Å; F134-Y144 AromaticContact CE1-CD2 3.41Å; F134-Y144 HydrophobicContact CE1-CD2 3.41Å; F134-Y144 VanDerWaalsContact CE1-CD2 3.41Å; F134-Y144 AromaticContact CE1-CE2 3.45Å; F134-Y144 HydrophobicContact CE1-CE2 3.45Å; F134-Y144 VanDerWaalsContact CE1-CE2 3.45Å; F134-Y144 HydrophobicContact CE2-CE2 4.33Å; F134-Y144 AromaticContact CZ-CD2 3.75Å; F134-Y144 HydrophobicContact CZ-CD2 3.75Å; F134-Y144 AromaticContact CZ-CE2 3.55Å; F134-Y144 HydrophobicContact CZ-CE2 3.55Å; Y144-F146 VanDerWaalsContact C-N 3.26Å; Y144-F146 PolarHBondContact O-N 3.2Å
145W34.8Very low38.8Very low133 Ų13395.6 Ų95.650%0.50448%0.482SS..G310 helixtrans-76.6-7.1172.1-87.664.9000114.1L141 K142L141-W145 VanDerWaalsContact O-CB 3.23Å; L141-W145 WeakPolarHBondContact O-CB 3.29Å; L141-W145 PolarHBondContact O-N 3Å; K142-W145 PolarHBondContact O-N 2.93Å
146F31.6Very low38.8Very low124 Ų12496.1 Ų96.154%0.54448%0.484SS..G310 helixtrans-74.4-23.1-174.1-102.4-73.2000114.8K142 Y144K142-F146 HydrophobicContact CB-CE2 4.21Å; K142-F146 WeakPolarHBondContact O-CD2 3.5Å; K142-F146 PolarHBondContact O-N 3.38Å; Y144-F146 VanDerWaalsContact C-N 3.26Å; Y144-F146 PolarHBondContact O-N 3.2Å
147N37.5Very low39.2Very low66 Ų6697.9 Ų97.935%0.35347%0.474SS..G310 helixtrans-110.616.2-158.6-64.8-13.7000116.1D15 A16 M25D15-N147 VanDerWaalsContact OD1-C 3.24Å; D15-N147 VanDerWaalsContact OD1-CA 3.31Å; D15-N147 WeakPolarHBondContact OD1-CA 3.39Å; A16-N147 WeakPolarHBondContact CB-O 3.38Å; M25-N147 HydrophobicContact CE-CB 3.62Å; M25-N147 WeakPolarHBondContact CE-O 3.36Å
148I50Low39.4Very low69 Ų6997.6 Ų97.635%0.35447%0.47SS..SBendtrans-134.8-64.3176.4-57.4179.8000111G13 A16 M25 F35G13-I148 VanDerWaalsContact O-O 3.12Å; A16-I148 HydrophobicContact CB-CG1 3.86Å; M25-I148 HydrophobicContact CE-CD1 4.46Å; M25-I148 HydrophobicContact CE-CG1 4Å; M25-I148 HydrophobicContact SD-CD1 3.8Å; M25-I148 HydrophobicContact SD-CG1 3.96Å; F35-I148 HydrophobicContact CE2-CG2 4.09Å
149I49Very low39.7Very low30 Ų3091.6 Ų91.615%0.15444%0.443CS..  trans-158.5115.4178.1-70.3-177.5000105.9V10 F35 M36 V151V10-I149 HydrophobicContact CG1-CG2 3.62Å; V10-I149 HydrophobicContact CG2-CG2 4.44Å; F35-I149 HydrophobicContact CB-CD1 3.41Å; F35-I149 VanDerWaalsContact CB-CD1 3.41Å; F35-I149 HydrophobicContact CD2-CD1 3.4Å; F35-I149 VanDerWaalsContact CD2-CD1 3.4Å; F35-I149 HydrophobicContact CD2-CG1 4.33Å; F35-I149 HydrophobicContact CE2-CD1 4.43Å; F35-I149 HydrophobicContact CG-CD1 3.75Å; M36-I149 HydrophobicContact CE-CD1 3.6Å; I149-V151 HydrophobicContact CG2-CG2 3.5Å; I149-V151 PolarHBondContact O-N 3.42Å
150K55.5Low40Very low92 Ų9289.2 Ų89.240%0.443%0.429SS..EExtended strand (participates in β ladder)trans-90.8104.7169.1173.6-170.6-177.8-170.20108.7S11S11-K150 WeakPolarHBondContact CB-O 3.47Å; S11-K150 PolarHBondContact N-O 3.44Å; S11-K150 PolarHBondContact O-N 3.46Å; S11-K150 VanDerWaalsContact O-N 3.07Å
151V54.7Low40.7Very low29 Ų2992.2 Ų92.218%0.17644%0.442CS..EExtended strand (participates in β ladder)trans-86.5113172-170.10000108.2V8 F9 V10 L39 I149 F153V8-V151 HydrophobicContact CG1-CG1 3.54Å; F9-V151 CarbonylContact O-C 3.6Å; F9-V151 VanDerWaalsContact O-CA 3.24Å; F9-V151 WeakPolarHBondContact O-CA 3.18Å; V10-V151 HydrophobicContact CG2-CG2 4.44Å; L39-V151 HydrophobicContact CD1-CG2 4Å; L39-V151 HydrophobicContact CD2-CG2 4.2Å; I149-V151 HydrophobicContact CG2-CG2 3.5Å; I149-V151 PolarHBondContact O-N 3.42Å; V151-F153 HydrophobicContact CB-CZ 4.29Å; V151-F153 HydrophobicContact CG1-CD1 4.12Å; V151-F153 HydrophobicContact CG1-CE1 3.5Å; V151-F153 VanDerWaalsContact CG1-CE1 3.5Å; V151-F153 HydrophobicContact CG1-CE2 4.04Å; V151-F153 HydrophobicContact CG1-CZ 3.45Å; V151-F153 VanDerWaalsContact CG1-CZ 3.45Å
152S48.1Very low41.4Very low46 Ų4693 Ų9332%0.32244%0.443SS..EExtended strand (participates in β ladder)trans-104.1140.3170-52.30000108.2F9F9-S152 PolarHBondContact N-O 3.48Å; F9-S152 PolarHBondContact O-N 3Å
153F47.3Very low42.5Very low81 Ų8188.7 Ų88.736%0.35543%0.427SS..EExtended strand (participates in β ladder)trans-115.5135.1175.2-49.8-79.2000108.7F3 P5 V8 V151F3-F153 HydrophobicContact CD1-CB 3.87Å; F3-F153 HydrophobicContact CD1-CD1 4.15Å; F3-F153 AromaticContact CD1-CD2 3.87Å; F3-F153 HydrophobicContact CD1-CD2 3.87Å; F3-F153 HydrophobicContact CD1-CE2 4.43Å; F3-F153 AromaticContact CD1-CG 3.7Å; F3-F153 HydrophobicContact CD1-CG 3.7Å; F3-F153 HydrophobicContact CE1-CB 3.09Å; F3-F153 HydrophobicContact CE1-CD1 4.18Å; F3-F153 AromaticContact CE1-CD2 3.88Å; F3-F153 HydrophobicContact CE1-CD2 3.88Å; F3-F153 AromaticContact CE1-CG 3.48Å; F3-F153 HydrophobicContact CE1-CG 3.48Å; F3-F153 VanDerWaalsContact CE1-CG 3.48Å; F3-F153 HydrophobicContact CZ-CB 3.72Å; F3-F153 HydrophobicContact CZ-CG 4.36Å; P5-F153 HydrophobicContact CB-CB 4Å; P5-F153 HydrophobicContact CB-CD1 3.36Å; P5-F153 HydrophobicContact CB-CE1 4.11Å; P5-F153 HydrophobicContact CB-CG 4Å; P5-F153 HydrophobicContact CG-CD1 3.54Å; P5-F153 HydrophobicContact CG-CE1 3.75Å; V8-F153 HydrophobicContact CG1-CD1 4.5Å; V8-F153 HydrophobicContact CG1-CE1 4.21Å; V8-F153 HydrophobicContact CG2-CD1 3.99Å; V8-F153 HydrophobicContact CG2-CE1 3.97Å; V151-F153 HydrophobicContact CB-CZ 4.29Å; V151-F153 HydrophobicContact CG1-CD1 4.12Å; V151-F153 HydrophobicContact CG1-CE1 3.5Å; V151-F153 VanDerWaalsContact CG1-CE1 3.5Å; V151-F153 HydrophobicContact CG1-CE2 4.04Å; V151-F153 HydrophobicContact CG1-CZ 3.45Å; V151-F153 VanDerWaalsContact CG1-CZ 3.45Å
154L39.5Very low43.5Very low164 Ų16492.5 Ų92.586%0.85943%0.431SS*.  trans-102.30168-68.7-177000109.4F9F9-L154 HydrophobicContact CD2-CD1 4.34Å; F9-L154 HydrophobicContact CD2-CG 4.3Å; F9-L154 HydrophobicContact CE2-CD1 3.57Å; F9-L154 HydrophobicContact CE2-CG 3.98Å; F9-L154 HydrophobicContact CZ-CD1 4.35Å

Retrieved 154 of 154 residues in 210 ms (Link to these results)

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