A0A077ZB30_TRITR Loading...

GPI transamidase component PIG T

AlphaFold DB , UniProt , Accession A0A077ZB30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 521 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
1M41.3Very low34Very low51 Ų5143.7 Ų43.725%0.25124%0.237SC..  0143.60-171.6-164.716200108.8F3 L198 L210 L229 I269M1-F3 HydrophobicContact CE-CD2 4.38Å; M1-L198 PolarHBondContact N-O 3.16Å; M1-L198 PolarHBondContact O-N 2.86Å; M1-L210 HydrophobicContact SD-CD2 3.6Å; M1-L210 VanDerWaalsContact SD-CD2 3.6Å; M1-L229 HydrophobicContact CE-CD2 4.32Å; M1-I269 HydrophobicContact CE-CB 4.46Å; M1-I269 HydrophobicContact CE-CG2 3.14Å; M1-I269 HydrophobicContact SD-CB 4.21Å; M1-I269 HydrophobicContact SD-CD1 4.43Å; M1-I269 HydrophobicContact SD-CG2 3.24Å; M1-I269 WeakPolarHBondContact SD-CG2 3.36Å
2H36.1Very low34.2Very low61 Ų6148.8 Ų48.828%0.28226%0.255SS..EExtended strand (participates in β ladder)trans-92.7119175.5-58.7-52.2000109.4W44 W49H2-W44 AromaticContact CE1-CH2 3.57Å; H2-W44 AromaticContact CE1-CZ2 3.94Å; H2-W44 AromaticContact ND1-CH2 3.36Å; H2-W44 WeakPolarHBondContact ND1-CH2 3.21Å; H2-W49 WeakPolarHBondContact CE1-CB 3.1Å; H2-W49 AromaticContact CE1-CD1 3.81Å; H2-W49 AromaticContact CE1-CG 3.53Å; H2-W49 PolarHBondContact NE2-O 3.47Å
3F33.3Very low34.8Very low27 Ų2747.1 Ų47.112%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-103.2119.8164.2-145.8-99.6000107.9M1 L156 M207 F211M1-F3 HydrophobicContact CE-CD2 4.38Å; F3-L156 HydrophobicContact CE1-CD1 4.15Å; F3-L156 HydrophobicContact CZ-CD1 3.95Å; F3-M207 HydrophobicContact CE2-CE 3.99Å; F3-M207 HydrophobicContact CE2-SD 4.04Å; F3-M207 HydrophobicContact CZ-CE 3.9Å; F3-M207 HydrophobicContact CZ-SD 3.97Å; F3-F211 HydrophobicContact CB-CE1 4.39Å; F3-F211 HydrophobicContact CB-CZ 3.76Å; F3-F211 HydrophobicContact CD1-CE1 4.14Å; F3-F211 HydrophobicContact CD1-CE2 4.39Å; F3-F211 AromaticContact CD1-CZ 3.61Å; F3-F211 HydrophobicContact CD1-CZ 3.61Å; F3-F211 HydrophobicContact CD2-CE1 4.45Å; F3-F211 AromaticContact CD2-CE2 3.56Å; F3-F211 HydrophobicContact CD2-CE2 3.56Å; F3-F211 AromaticContact CD2-CZ 3.26Å; F3-F211 HydrophobicContact CD2-CZ 3.26Å; F3-F211 HydrophobicContact CE1-CE1 4.49Å; F3-F211 HydrophobicContact CE1-CE2 4.29Å; F3-F211 AromaticContact CE1-CZ 3.89Å; F3-F211 HydrophobicContact CE1-CZ 3.89Å; F3-F211 AromaticContact CE2-CE2 3.41Å; F3-F211 HydrophobicContact CE2-CE2 3.41Å; F3-F211 VanDerWaalsContact CE2-CE2 3.41Å; F3-F211 AromaticContact CE2-CZ 3.56Å; F3-F211 HydrophobicContact CE2-CZ 3.56Å; F3-F211 HydrophobicContact CG-CE1 4.11Å; F3-F211 HydrophobicContact CG-CE2 4.04Å; F3-F211 AromaticContact CG-CZ 3.27Å; F3-F211 HydrophobicContact CG-CZ 3.27Å; F3-F211 AromaticContact CZ-CE2 3.8Å; F3-F211 HydrophobicContact CZ-CE2 3.8Å; F3-F211 AromaticContact CZ-CZ 3.86Å; F3-F211 HydrophobicContact CZ-CZ 3.86Å
4F34Very low35.9Very low74 Ų7452.9 Ų52.933%0.32528%0.278SS..EExtended strand (participates in β ladder)trans-113.1112.5178.8-121-90.8000108.2Y52 S53 T193 T195F4-Y52 HydrophobicContact CD2-CD2 4.18Å; F4-Y52 HydrophobicContact CD2-CG 4.37Å; F4-Y52 HydrophobicContact CE1-CD2 4.05Å; F4-Y52 AromaticContact CE2-CD2 2.96Å; F4-Y52 HydrophobicContact CE2-CD2 2.96Å; F4-Y52 AromaticContact CE2-CE2 3.43Å; F4-Y52 HydrophobicContact CE2-CE2 3.43Å; F4-Y52 VanDerWaalsContact CE2-CE2 3.43Å; F4-Y52 AromaticContact CE2-CG 3.46Å; F4-Y52 HydrophobicContact CE2-CG 3.46Å; F4-Y52 VanDerWaalsContact CE2-CG 3.46Å; F4-Y52 AromaticContact CZ-CD2 2.92Å; F4-Y52 HydrophobicContact CZ-CD2 2.92Å; F4-Y52 AromaticContact CZ-CE2 3.39Å; F4-Y52 HydrophobicContact CZ-CE2 3.39Å; F4-Y52 AromaticContact CZ-CG 3.83Å; F4-Y52 HydrophobicContact CZ-CG 3.83Å; F4-S53 WeakPolarHBondContact CE1-O 3.19Å; F4-T193 HydrophobicContact CE1-CG2 3.83Å; F4-T193 HydrophobicContact CZ-CG2 4.18Å; F4-T195 HydrophobicContact CE2-CG2 3.73Å; F4-T195 WeakPolarHBondContact CE2-OG1 3.33Å; F4-T195 HydrophobicContact CZ-CG2 4.28Å; F4-T195 WeakPolarHBondContact CZ-OG1 3.25Å
5G31.5Very low37Very low23 Ų2356.7 Ų56.724%0.23729%0.293CS..EExtended strand (participates in β ladder)trans-111.898.4166.500000108.2
6C29.4Very low38.5Very low50 Ų5056.2 Ų56.234%0.33829%0.288SS..EExtended strand (participates in β ladder)trans-94.2122.2162.5-71.50000107.6F8C6-F8 HydrophobicContact CB-CD2 4.24Å; C6-F8 HydrophobicContact CB-CE2 3.53Å; C6-F8 HydrophobicContact CB-CZ 3.94Å
7L34.2Very low40.1Very low40 Ų4061.1 Ų61.121%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-108.7120.5171.1-73.1162.8000107.8Y9 L145 V154 Q192L7-Y9 HydrophobicContact CB-CE2 3.99Å; L7-L145 HydrophobicContact CB-CD2 4.39Å; L7-L145 HydrophobicContact CD1-CD1 3.66Å; L7-L145 HydrophobicContact CD1-CD2 3.7Å; L7-L145 HydrophobicContact CD1-CG 4.35Å; L7-V154 HydrophobicContact CD1-CG2 4.04Å; L7-Q192 PolarHBondContact N-O 2.78Å; L7-Q192 PolarHBondContact O-N 3.17Å
8F30.4Very low41.8Very low41 Ų4161 Ų6118%0.1832%0.315CS..EExtended strand (participates in β ladder)trans-106.5134.2-176-68.3-86.4000110.4C6 H191 M420 F422C6-F8 HydrophobicContact CB-CD2 4.24Å; C6-F8 HydrophobicContact CB-CE2 3.53Å; C6-F8 HydrophobicContact CB-CZ 3.94Å; F8-H191 AromaticContact CD1-CE1 3.21Å; F8-H191 WeakPolarHBondContact CD1-CE1 3.38Å; F8-H191 AromaticContact CD1-ND1 3.36Å; F8-H191 WeakPolarHBondContact CD1-ND1 3.35Å; F8-H191 AromaticContact CE1-CE1 3.34Å; F8-H191 WeakPolarHBondContact CE1-CE1 3.45Å; F8-H191 AromaticContact CE1-ND1 3.36Å; F8-H191 WeakPolarHBondContact CE1-ND1 3.43Å; F8-M420 WeakPolarHBondContact CE2-O 2.82Å; F8-F422 HydrophobicContact CB-CB 3.79Å; F8-F422 HydrophobicContact CB-CD2 3.37Å; F8-F422 HydrophobicContact CB-CE2 4.14Å; F8-F422 HydrophobicContact CB-CG 3.73Å; F8-F422 HydrophobicContact CD1-CB 3.86Å; F8-F422 HydrophobicContact CD1-CD2 4.37Å; F8-F422 AromaticContact CD2-CD2 3.92Å; F8-F422 HydrophobicContact CD2-CD2 3.92Å; F8-F422 HydrophobicContact CG-CB 3.96Å; F8-F422 AromaticContact CG-CD2 3.65Å; F8-F422 HydrophobicContact CG-CD2 3.65Å; F8-F422 HydrophobicContact CG-CG 4.18Å
9Y33.3Very low43.5Very low36 Ų3657.9 Ų57.914%0.14130%0.299CS..EExtended strand (participates in β ladder)trans-149.5144.2170.8-56-87.4000113.3L7 F11 L145 P146 E189 L190L7-Y9 HydrophobicContact CB-CE2 3.99Å; Y9-F11 VanDerWaalsContact CB-CE1 3.48Å; Y9-F11 HydrophobicContact CD1-CE1 4.04Å; Y9-F11 AromaticContact CD1-CZ 3.82Å; Y9-F11 HydrophobicContact CD1-CZ 3.82Å; Y9-F11 HydrophobicContact CD2-CZ 4.22Å; Y9-F11 HydrophobicContact CG-CE1 4.05Å; Y9-F11 HydrophobicContact CG-CE2 4.15Å; Y9-F11 AromaticContact CG-CZ 3.45Å; Y9-F11 HydrophobicContact CG-CZ 3.45Å; Y9-F11 VanDerWaalsContact CG-CZ 3.45Å; Y9-L145 HydrophobicContact CE2-CD2 3.94Å; Y9-P146 HydrophobicContact CE1-CG 4.09Å; Y9-E189 CarbonylContact O-C 3.57Å; Y9-E189 WeakPolarHBondContact O-CA 3.47Å; Y9-E189 WeakPolarHBondContact O-CG 3.44Å; Y9-L190 PolarHBondContact N-O 2.79Å; Y9-L190 PolarHBondContact O-N 2.88Å
10S27.7Very low45.3Very low69 Ų6956.3 Ų56.348%0.48329%0.292SS..EExtended strand (participates in β ladder)trans-123134.3175.9-173.10000109.5
11F42.4Very low47.3Very low9 Ų957.5 Ų57.54%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-148.3153.7-164.9-53.4-59.4000117.2Y9 L18 M19 D187 F188 L190Y9-F11 VanDerWaalsContact CB-CE1 3.48Å; Y9-F11 HydrophobicContact CD1-CE1 4.04Å; Y9-F11 AromaticContact CD1-CZ 3.82Å; Y9-F11 HydrophobicContact CD1-CZ 3.82Å; Y9-F11 HydrophobicContact CD2-CZ 4.22Å; Y9-F11 HydrophobicContact CG-CE1 4.05Å; Y9-F11 HydrophobicContact CG-CE2 4.15Å; Y9-F11 AromaticContact CG-CZ 3.45Å; Y9-F11 HydrophobicContact CG-CZ 3.45Å; Y9-F11 VanDerWaalsContact CG-CZ 3.45Å; F11-L18 HydrophobicContact CD1-CB 3.67Å; F11-L18 HydrophobicContact CD1-CD1 3.94Å; F11-L18 HydrophobicContact CD1-CG 4.39Å; F11-L18 HydrophobicContact CE1-CB 3Å; F11-L18 HydrophobicContact CE1-CD1 3.5Å; F11-L18 VanDerWaalsContact CE1-CD1 3.5Å; F11-L18 HydrophobicContact CE1-CG 3.84Å; F11-L18 HydrophobicContact CZ-CB 3.51Å; F11-M19 HydrophobicContact CD2-CB 3.9Å; F11-M19 HydrophobicContact CE2-CB 3.98Å; F11-M19 HydrophobicContact CG-CB 4.38Å; F11-D187 CarbonylContact O-C 3.31Å; F11-D187 VanDerWaalsContact O-C 3.31Å; F11-D187 WeakPolarHBondContact O-CA 3.38Å; F11-D187 WeakPolarHBondContact O-CB 3.33Å; F11-F188 VanDerWaalsContact CB-O 3.31Å; F11-F188 WeakPolarHBondContact CB-O 3.46Å; F11-F188 WeakPolarHBondContact CD2-O 3.29Å; F11-F188 PolarHBondContact N-O 2.94Å; F11-F188 PolarHBondContact O-N 2.8Å; F11-L190 HydrophobicContact CD2-CB 4.4Å; F11-L190 HydrophobicContact CE2-CB 3.96Å
12F36.3Very low49.4Very low104 Ų10457.7 Ų57.746%0.45631%0.309SS..EExtended strand (participates in β ladder)trans-75138.4171.5-56.7-77.5000115.2D14 H15 D187F12-D14 VanDerWaalsContact C-N 3.29Å; F12-D14 PolarHBondContact O-N 3.18Å; F12-H15 HydrophobicContact CB-CB 4.11Å; F12-H15 PolarHBondContact O-N 3.1Å; F12-D187 VanDerWaalsContact CA-CG 3.47Å; F12-D187 VanDerWaalsContact CA-OD1 3.29Å; F12-D187 WeakPolarHBondContact CA-OD1 3.42Å; F12-D187 WeakPolarHBondContact CD1-OD1 3.41Å; F12-D187 WeakPolarHBondContact CD1-OD2 3.27Å
13L42.7Very low52.1Low27 Ų2754.8 Ų54.814%0.14130%0.296CS..THydrogen-bonded Turntrans-52.7-36.8-178.4-95.1173.6000115Q28 E186 F188L13-Q28 HydrophobicContact CD2-CG 4.18Å; L13-Q28 PolarHBondContact O-NE2 3.46Å; L13-E186 WeakPolarHBondContact CB-O 3.3Å; L13-E186 VanDerWaalsContact CD1-C 3.47Å; L13-E186 HydrophobicContact CD1-CB 3.52Å; L13-E186 HydrophobicContact CD1-CG 4.03Å; L13-E186 WeakPolarHBondContact CD1-O 3.5Å; L13-E186 VanDerWaalsContact CG-C 3.45Å; L13-E186 HydrophobicContact CG-CB 4.31Å; L13-E186 WeakPolarHBondContact CG-O 3.37Å; L13-E186 PolarHBondContact N-O 2.85Å; L13-F188 HydrophobicContact CD2-CD2 3.58Å; L13-F188 HydrophobicContact CD2-CE2 3.32Å; L13-F188 HydrophobicContact CD2-CZ 4.37Å
14D49.4Very low54.8Low128 Ų12853.5 Ų53.568%0.68429%0.29SS*.THydrogen-bonded Turntrans-1031.1-175-66.9-33.4000113.6F12F12-D14 VanDerWaalsContact C-N 3.29Å; F12-D14 PolarHBondContact O-N 3.18Å
15H53.4Low57.5Low110 Ų11057.6 Ų57.651%0.50930%0.303SS..  trans-11493.1-174.6-65.628.7000110.7F12 N17F12-H15 HydrophobicContact CB-CB 4.11Å; F12-H15 PolarHBondContact O-N 3.1Å; H15-N17 PolarHBondContact O-N 3.47Å; H15-N17 VanDerWaalsContact O-N 3.1Å
16F60.8Low60.5Low49 Ų4957.6 Ų57.622%0.21530%0.298CS..THydrogen-bonded Turntrans-8125.5178.3-56.1-81000114.1L18 M19 N21 R25F16-L18 PolarHBondContact O-N 3.31Å; F16-M19 CarbonylContact C-O 3.57Å; F16-M19 VanDerWaalsContact CA-O 3.24Å; F16-M19 WeakPolarHBondContact CA-O 3.41Å; F16-M19 WeakPolarHBondContact CB-O 3.37Å; F16-M19 HydrophobicContact CD1-CE 4.15Å; F16-M19 HydrophobicContact CE1-CE 4.09Å; F16-M19 VanDerWaalsContact O-O 3.09Å; F16-N21 WeakPolarHBondContact CB-OD1 3.33Å; F16-N21 HydrophobicContact CD1-CB 4.48Å; F16-N21 WeakPolarHBondContact CD2-OD1 3.31Å; F16-N21 HydrophobicContact CG-CB 4.45Å; F16-N21 WeakPolarHBondContact CG-OD1 3.28Å; F16-R25 HydrophobicContact CZ-CG 4.26Å
17N66.1Low63.6Low139 Ų13955.2 Ų55.274%0.74328%0.282SS*.THydrogen-bonded Turntrans-66.7-28.4-179.4-72.6-12000112.1H15H15-N17 PolarHBondContact O-N 3.47Å; H15-N17 VanDerWaalsContact O-N 3.1Å
18L70.5Confident66.3Low60 Ų6055.9 Ų55.931%0.31428%0.284SS..THydrogen-bonded Turntrans-124.7-35.4-177-61.4175.4000112.3F11 F16 P146 I221F11-L18 HydrophobicContact CD1-CB 3.67Å; F11-L18 HydrophobicContact CD1-CD1 3.94Å; F11-L18 HydrophobicContact CD1-CG 4.39Å; F11-L18 HydrophobicContact CE1-CB 3Å; F11-L18 HydrophobicContact CE1-CD1 3.5Å; F11-L18 VanDerWaalsContact CE1-CD1 3.5Å; F11-L18 HydrophobicContact CE1-CG 3.84Å; F11-L18 HydrophobicContact CZ-CB 3.51Å; F16-L18 PolarHBondContact O-N 3.31Å; L18-P146 HydrophobicContact CD2-CB 4.17Å; L18-P146 HydrophobicContact CD2-CG 4.47Å; L18-I221 HydrophobicContact CD2-CG2 3.19Å
19M73.6Confident69.4Low2 Ų260.3 Ų60.31%0.0131%0.305CS..SBendtrans-85.6131.8169.6-176.5174.658.600110.5F11 F16 N21 F23 F188F11-M19 HydrophobicContact CD2-CB 3.9Å; F11-M19 HydrophobicContact CE2-CB 3.98Å; F11-M19 HydrophobicContact CG-CB 4.38Å; F16-M19 CarbonylContact C-O 3.57Å; F16-M19 VanDerWaalsContact CA-O 3.24Å; F16-M19 WeakPolarHBondContact CA-O 3.41Å; F16-M19 WeakPolarHBondContact CB-O 3.37Å; F16-M19 HydrophobicContact CD1-CE 4.15Å; F16-M19 HydrophobicContact CE1-CE 4.09Å; F16-M19 VanDerWaalsContact O-O 3.09Å; M19-N21 PolarHBondContact O-N 3.41Å; M19-F23 HydrophobicContact CG-CD1 4.46Å; M19-F23 HydrophobicContact SD-CD1 4.23Å; M19-F188 HydrophobicContact CE-CB 4.48Å; M19-F188 HydrophobicContact CE-CD2 4.3Å; M19-F188 HydrophobicContact SD-CB 4.22Å
20P80.4Confident72.4Confident26 Ų2660.5 Ų60.517%0.16931%0.305CS..  trans-60.9129.4176.7-2130.3000112.8A22 F23 G24 L144P20-A22 VanDerWaalsContact C-N 3.25Å; P20-A22 PolarHBondContact O-N 3Å; P20-F23 HydrophobicContact CB-CB 4.45Å; P20-F23 PolarHBondContact O-N 3.05Å; P20-F23 VanDerWaalsContact O-N 3.07Å; P20-G24 PolarHBondContact O-N 3.22Å; P20-G24 VanDerWaalsContact O-N 3.07Å; P20-L144 HydrophobicContact CB-CD2 3.92Å; P20-L144 WeakPolarHBondContact CD-O 3.25Å; P20-L144 HydrophobicContact CG-CB 3.77Å; P20-L144 HydrophobicContact CG-CD2 3.62Å; P20-L144 HydrophobicContact CG-CG 4.3Å; P20-L144 WeakPolarHBondContact CG-O 3.32Å
21N85.6Confident75.6Confident81 Ų8160.8 Ų60.843%0.43330%0.299SS..Hα-helixtrans-43.7-49.1173.7-80.3-47.4000113.3F16 M19 F23 R25F16-N21 WeakPolarHBondContact CB-OD1 3.33Å; F16-N21 HydrophobicContact CD1-CB 4.48Å; F16-N21 WeakPolarHBondContact CD2-OD1 3.31Å; F16-N21 HydrophobicContact CG-CB 4.45Å; F16-N21 WeakPolarHBondContact CG-OD1 3.28Å; M19-N21 PolarHBondContact O-N 3.41Å; N21-F23 VanDerWaalsContact C-N 3.32Å; N21-F23 PolarHBondContact O-N 3.22Å; N21-R25 WeakPolarHBondContact O-CB 3.38Å; N21-R25 WeakPolarHBondContact O-CG 3.24Å; N21-R25 PolarHBondContact O-N 3.44Å
22A87.3Confident78.1Confident56 Ų5660.4 Ų60.446%0.46330%0.297SS..Hα-helixtrans-62.1-39.8-175.600000112.4P20 I26 L88P20-A22 VanDerWaalsContact C-N 3.25Å; P20-A22 PolarHBondContact O-N 3Å; A22-I26 WeakPolarHBondContact O-CD1 3.4Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3Å; A22-I26 PolarHBondContact O-N 3.34Å; A22-L88 HydrophobicContact CB-CD1 4.25Å
23F91.3Very high80.9Confident0 Ų056.8 Ų56.80%029%0.285CS..Hα-helixtrans-77.3-46.8-178.2-179-106.2000111.9M19 P20 N21 R25 I26 L27 L35 L85 L88 L144 L172 A174 L190M19-F23 HydrophobicContact CG-CD1 4.46Å; M19-F23 HydrophobicContact SD-CD1 4.23Å; P20-F23 HydrophobicContact CB-CB 4.45Å; P20-F23 PolarHBondContact O-N 3.05Å; P20-F23 VanDerWaalsContact O-N 3.07Å; N21-F23 VanDerWaalsContact C-N 3.32Å; N21-F23 PolarHBondContact O-N 3.22Å; F23-R25 VanDerWaalsContact C-N 3.33Å; F23-R25 PolarHBondContact O-N 3.07Å; F23-I26 WeakPolarHBondContact O-CB 3.32Å; F23-I26 PolarHBondContact O-N 3.48Å; F23-I26 VanDerWaalsContact O-N 3.14Å; F23-L27 HydrophobicContact CD1-CD1 4.14Å; F23-L27 HydrophobicContact CE1-CD1 3.51Å; F23-L27 HydrophobicContact CE1-CG 4.1Å; F23-L27 HydrophobicContact CE2-CD2 4.48Å; F23-L27 HydrophobicContact CZ-CD1 3.88Å; F23-L27 HydrophobicContact CZ-CD2 4.07Å; F23-L27 HydrophobicContact CZ-CG 4.12Å; F23-L27 PolarHBondContact O-N 2.88Å; F23-L35 HydrophobicContact CE2-CD2 3.96Å; F23-L35 HydrophobicContact CZ-CD2 3.93Å; F23-L85 HydrophobicContact CD2-CD2 4.45Å; F23-L85 HydrophobicContact CE2-CD2 4.13Å; F23-L88 HydrophobicContact CB-CD2 4.09Å; F23-L88 HydrophobicContact CD2-CD2 3.71Å; F23-L88 HydrophobicContact CG-CD2 4.38Å; F23-L144 HydrophobicContact CB-CD2 4.08Å; F23-L172 HydrophobicContact CE1-CD2 4.17Å; F23-L172 HydrophobicContact CE2-CD1 4.38Å; F23-L172 HydrophobicContact CE2-CD2 3.95Å; F23-L172 HydrophobicContact CZ-CD1 4.29Å; F23-L172 HydrophobicContact CZ-CD2 3.42Å; F23-L172 VanDerWaalsContact CZ-CD2 3.42Å; F23-L172 HydrophobicContact CZ-CG 4.49Å; F23-A174 HydrophobicContact CE1-CB 3.95Å; F23-A174 HydrophobicContact CZ-CB 3.98Å; F23-L190 HydrophobicContact CD1-CD1 4.43Å; F23-L190 HydrophobicContact CE1-CD1 3.71Å; F23-L190 HydrophobicContact CZ-CD1 4.27Å
24G90Very high83.4Confident0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-63.2-37.5179.800000113.1P20 I26 L27 Q28P20-G24 PolarHBondContact O-N 3.22Å; P20-G24 VanDerWaalsContact O-N 3.07Å; G24-I26 VanDerWaalsContact C-N 3.32Å; G24-I26 PolarHBondContact O-N 3.41Å; G24-L27 PolarHBondContact O-N 2.85Å; G24-Q28 WeakPolarHBondContact O-CG 3.43Å; G24-Q28 PolarHBondContact O-N 3.46Å
25R91.2Very high85.6Confident160 Ų16051 Ų5160%0.60425%0.253SS*.Hα-helixtrans-61.1-38.4173.7-74.7179.1-177.8-166.3-0.8112.7F16 N21 F23 Q28 E29F16-R25 HydrophobicContact CZ-CG 4.26Å; N21-R25 WeakPolarHBondContact O-CB 3.38Å; N21-R25 WeakPolarHBondContact O-CG 3.24Å; N21-R25 PolarHBondContact O-N 3.44Å; F23-R25 VanDerWaalsContact C-N 3.33Å; F23-R25 PolarHBondContact O-N 3.07Å; R25-Q28 PolarHBondContact O-N 3.42Å; R25-E29 WeakPolarHBondContact O-CB 3.37Å; R25-E29 PolarHBondContact O-N 3.04Å
26I94.4Very high87.6Confident23 Ų2349.1 Ų49.112%0.11824%0.244CC..Hα-helixtrans-62.9-44.7175.8-70.1166.4000110.5A22 F23 G24 Q28 Y30 L81 L85 L88A22-I26 WeakPolarHBondContact O-CD1 3.4Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3Å; A22-I26 PolarHBondContact O-N 3.34Å; F23-I26 WeakPolarHBondContact O-CB 3.32Å; F23-I26 PolarHBondContact O-N 3.48Å; F23-I26 VanDerWaalsContact O-N 3.14Å; G24-I26 VanDerWaalsContact C-N 3.32Å; G24-I26 PolarHBondContact O-N 3.41Å; I26-Q28 VanDerWaalsContact C-N 3.32Å; I26-Q28 PolarHBondContact O-N 2.83Å; I26-Y30 HydrophobicContact CG2-CD2 3.9Å; I26-Y30 HydrophobicContact CG2-CE2 4.12Å; I26-Y30 VanDerWaalsContact O-CD2 3.22Å; I26-Y30 WeakPolarHBondContact O-CD2 3.23Å; I26-Y30 PolarHBondContact O-N 2.82Å; I26-L81 HydrophobicContact CG2-CD1 3.53Å; I26-L85 HydrophobicContact CG2-CD2 4.47Å; I26-L88 HydrophobicContact CD1-CB 4.47Å; I26-L88 HydrophobicContact CD1-CD2 4.14Å
27L94.1Very high89.2Confident0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-63.9-38.6179-62.7-178.1000112.4F23 G24 H31 V32 L35 A174 F188F23-L27 HydrophobicContact CD1-CD1 4.14Å; F23-L27 HydrophobicContact CE1-CD1 3.51Å; F23-L27 HydrophobicContact CE1-CG 4.1Å; F23-L27 HydrophobicContact CE2-CD2 4.48Å; F23-L27 HydrophobicContact CZ-CD1 3.88Å; F23-L27 HydrophobicContact CZ-CD2 4.07Å; F23-L27 HydrophobicContact CZ-CG 4.12Å; F23-L27 PolarHBondContact O-N 2.88Å; G24-L27 PolarHBondContact O-N 2.85Å; L27-H31 PolarHBondContact O-N 2.9Å; L27-V32 HydrophobicContact CB-CB 4.44Å; L27-V32 HydrophobicContact CD2-CB 3.96Å; L27-V32 HydrophobicContact CD2-CG1 4.06Å; L27-V32 HydrophobicContact CD2-CG2 4.27Å; L27-V32 PolarHBondContact O-N 3.24Å; L27-L35 HydrophobicContact CD2-CB 4.2Å; L27-L35 HydrophobicContact CD2-CD2 3.68Å; L27-A174 HydrophobicContact CD1-CB 3.8Å; L27-F188 HydrophobicContact CB-CE1 4.16Å; L27-F188 HydrophobicContact CB-CE2 4.05Å; L27-F188 HydrophobicContact CB-CZ 3.66Å; L27-F188 HydrophobicContact CD1-CD1 3.87Å; L27-F188 HydrophobicContact CD1-CD2 4.45Å; L27-F188 HydrophobicContact CD1-CE1 3.78Å; L27-F188 HydrophobicContact CD1-CE2 4.35Å; L27-F188 HydrophobicContact CD1-CG 4.21Å; L27-F188 HydrophobicContact CD1-CZ 4.02Å; L27-F188 HydrophobicContact CG-CZ 4.49Å
28Q91.8Very high90.6Very high54 Ų5440.5 Ų40.525%0.25220%0.201SC..Hα-helixtrans-69.9-51.1177.5-72.5174.2-19.600111.9L13 G24 R25 I26 Y30 H31 F188L13-Q28 HydrophobicContact CD2-CG 4.18Å; L13-Q28 PolarHBondContact O-NE2 3.46Å; G24-Q28 WeakPolarHBondContact O-CG 3.43Å; G24-Q28 PolarHBondContact O-N 3.46Å; R25-Q28 PolarHBondContact O-N 3.42Å; I26-Q28 VanDerWaalsContact C-N 3.32Å; I26-Q28 PolarHBondContact O-N 2.83Å; Q28-Y30 PolarHBondContact O-N 3.01Å; Q28-H31 PolarHBondContact O-N 3.12Å; Q28-F188 HydrophobicContact CG-CE2 4.34Å
29E94.6Very high91.9Very high134 Ų13437.8 Ų37.863%0.62619%0.186SC*.Hα-helixtrans-54-41.5-179.6-179.365.9-164.200111.9R25R25-E29 WeakPolarHBondContact O-CB 3.37Å; R25-E29 PolarHBondContact O-N 3.04Å
30Y96.4Very high92.9Very high39 Ų3937.7 Ų37.715%0.15319%0.186CC..THydrogen-bonded Turntrans-968.1-179-59.9-59.7000114.3I26 Q28 V32 F66 K77 G80 L81 S84I26-Y30 HydrophobicContact CG2-CD2 3.9Å; I26-Y30 HydrophobicContact CG2-CE2 4.12Å; I26-Y30 VanDerWaalsContact O-CD2 3.22Å; I26-Y30 WeakPolarHBondContact O-CD2 3.23Å; I26-Y30 PolarHBondContact O-N 2.82Å; Q28-Y30 PolarHBondContact O-N 3.01Å; Y30-V32 VanDerWaalsContact C-N 3.34Å; Y30-V32 PolarHBondContact O-N 3.18Å; Y30-F66 VanDerWaalsContact O-CD1 3.23Å; Y30-F66 WeakPolarHBondContact O-CD1 3.36Å; Y30-K77 HydrophobicContact CD1-CB 4.36Å; Y30-K77 WeakPolarHBondContact CD1-O 3.45Å; Y30-G80 VanDerWaalsContact CE2-C 3.43Å; Y30-G80 WeakPolarHBondContact CE2-O 3.42Å; Y30-G80 WeakPolarHBondContact OH-CA 3.38Å; Y30-G80 PolarHBondContact OH-O 2.73Å; Y30-L81 HydrophobicContact CD2-CB 3.85Å; Y30-L81 HydrophobicContact CD2-CD1 4.06Å; Y30-L81 HydrophobicContact CE2-CB 4.44Å; Y30-L81 HydrophobicContact CG-CB 4.05Å; Y30-S84 WeakPolarHBondContact CE2-OG 3.39Å; Y30-S84 PolarHBondContact OH-OG 3.37Å; Y30-S84 VanDerWaalsContact OH-OG 3.1Å
31H95.1Very high93.5Very high75 Ų7540 Ų4035%0.34720%0.195SC..THydrogen-bonded Turntrans53.747.4177.6-62.8-91.1000113.5L27 Q28 F66 E67 K77L27-H31 PolarHBondContact O-N 2.9Å; Q28-H31 PolarHBondContact O-N 3.12Å; H31-F66 WeakPolarHBondContact O-CA 3.28Å; H31-E67 HydrophobicContact CB-CB 4.19Å; H31-E67 HydrophobicContact CB-CG 4.27Å; H31-E67 IonicContact CG-OE2 3.17Å; H31-E67 IonicContact ND1-OE2 2.68Å; H31-E67 PolarHBondContact ND1-OE2 3.41Å; H31-E67 PolarHBondContact O-N 2.9Å; H31-K77 HydrophobicContact CB-CD 4.5Å
32V95.7Very high93.7Very high1 Ų137.4 Ų37.41%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-83.5129-178.9-174.30000109.7L27 Y30 K34 L35 F66 L81 R176L27-V32 HydrophobicContact CB-CB 4.44Å; L27-V32 HydrophobicContact CD2-CB 3.96Å; L27-V32 HydrophobicContact CD2-CG1 4.06Å; L27-V32 HydrophobicContact CD2-CG2 4.27Å; L27-V32 PolarHBondContact O-N 3.24Å; Y30-V32 VanDerWaalsContact C-N 3.34Å; Y30-V32 PolarHBondContact O-N 3.18Å; V32-K34 WeakPolarHBondContact CG1-O 3.41Å; V32-L35 HydrophobicContact CG1-CB 4Å; V32-F66 HydrophobicContact CG2-CD1 4.12Å; V32-F66 HydrophobicContact CG2-CE1 3.8Å; V32-L81 HydrophobicContact CG2-CD1 4.07Å; V32-L81 HydrophobicContact CG2-CD2 3.87Å; V32-R176 PolarHBondContact O-NE 2.78Å; V32-R176 PolarHBondContact O-NH2 3.11Å
33S94.2Very high93.7Very high29 Ų2937.7 Ų37.720%0.20318%0.18CC..EExtended strand (participates in β ladder)trans-95.9-39.4174.8-48.60000112L65 E67 R176S33-L65 PolarHBondContact N-O 3.26Å; S33-E67 PolarHBondContact OG-N 3Å; S33-R176 WeakPolarHBondContact O-CB 3.32Å; S33-R176 PolarHBondContact O-N 3.39Å
34K94.6Very high93.5Very high34 Ų3439 Ų3915%0.14819%0.185CC..EExtended strand (participates in β ladder)trans-140.3136173.2-174.2174.6179.8171.70108.9V32 A64 L65 A174 E429V32-K34 WeakPolarHBondContact CG1-O 3.41Å; K34-A64 CarbonylContact O-C 3.47Å; K34-A64 WeakPolarHBondContact O-CA 3.21Å; K34-L65 HydrophobicContact CB-CB 4Å; K34-L65 PolarHBondContact N-O 2.78Å; K34-L65 VanDerWaalsContact N-O 3.16Å; K34-L65 PolarHBondContact O-N 2.6Å; K34-A174 CarbonylContact C-O 3.55Å; K34-A174 WeakPolarHBondContact CA-O 3.27Å; K34-E429 VanDerWaalsContact NZ-CD 3.27Å; K34-E429 IonicContact NZ-OE1 3.72Å; K34-E429 PolarHBondContact NZ-OE1 3.22Å; K34-E429 IonicContact NZ-OE2 3.79Å; K34-E429 PolarHBondContact NZ-OE2 3.15Å
35L96Very high93.2Very high0 Ų045.9 Ų45.90%021%0.211CC..EExtended strand (participates in β ladder)trans-130134.6174.3-177.464.2000108.5F23 L27 V32 L37 I62 Y63 A64 L81 L85 S173 A174F23-L35 HydrophobicContact CE2-CD2 3.96Å; F23-L35 HydrophobicContact CZ-CD2 3.93Å; L27-L35 HydrophobicContact CD2-CB 4.2Å; L27-L35 HydrophobicContact CD2-CD2 3.68Å; V32-L35 HydrophobicContact CG1-CB 4Å; L35-L37 HydrophobicContact CD2-CD2 4.19Å; L35-I62 HydrophobicContact CD1-CG2 3.83Å; L35-Y63 CarbonylContact C-O 3.54Å; L35-Y63 WeakPolarHBondContact CA-O 3.43Å; L35-A64 HydrophobicContact CD1-CB 4.04Å; L35-L81 HydrophobicContact CD1-CD2 4.12Å; L35-L85 HydrophobicContact CD1-CD1 4.25Å; L35-L85 HydrophobicContact CD2-CD1 4.11Å; L35-L85 HydrophobicContact CD2-CD2 4.33Å; L35-S173 CarbonylContact O-C 3.59Å; L35-S173 VanDerWaalsContact O-CA 3.25Å; L35-S173 WeakPolarHBondContact O-CA 3.32Å; L35-A174 HydrophobicContact CB-CB 4.3Å; L35-A174 PolarHBondContact N-O 2.72Å; L35-A174 PolarHBondContact O-N 2.92Å
36Q95.3Very high92.7Very high70 Ų7040.3 Ų40.333%0.32719%0.191SC..EExtended strand (participates in β ladder)trans-132.2124.6167-66.2175.7-39.600107.5I62 Y63 L172Q36-I62 CarbonylContact O-C 3.57Å; Q36-I62 WeakPolarHBondContact O-CA 3.31Å; Q36-Y63 PolarHBondContact N-O 2.83Å; Q36-Y63 PolarHBondContact O-N 3.49Å; Q36-L172 CarbonylContact C-O 3.51Å; Q36-L172 WeakPolarHBondContact CA-O 3.09Å
37L95.7Very high91.9Very high6 Ų648.9 Ų48.93%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-128.8147.6175.56886.8000110.2L35 S61 I62 L85 F89 A171 L172L35-L37 HydrophobicContact CD2-CD2 4.19Å; L37-S61 CarbonylContact C-O 3.58Å; L37-S61 VanDerWaalsContact CA-O 3.23Å; L37-S61 WeakPolarHBondContact CA-O 3.42Å; L37-I62 HydrophobicContact CB-CG1 4.1Å; L37-L85 HydrophobicContact CD2-CD1 4.37Å; L37-L85 HydrophobicContact CD2-CD2 4.23Å; L37-F89 HydrophobicContact CD1-CE2 4.4Å; L37-F89 HydrophobicContact CD1-CZ 4.33Å; L37-F89 HydrophobicContact CD2-CD2 4.3Å; L37-F89 HydrophobicContact CD2-CE2 3.63Å; L37-F89 HydrophobicContact CD2-CZ 4.04Å; L37-A171 CarbonylContact O-C 3.5Å; L37-A171 WeakPolarHBondContact O-CA 3.01Å; L37-L172 HydrophobicContact CD1-CB 3.85Å; L37-L172 HydrophobicContact CD2-CB 4.39Å; L37-L172 HydrophobicContact CD2-CD2 4.07Å; L37-L172 HydrophobicContact CG-CB 3.89Å; L37-L172 HydrophobicContact CG-CD2 4.27Å; L37-L172 PolarHBondContact N-O 3.36Å; L37-L172 PolarHBondContact O-N 2.95Å
38S95.5Very high91.3Very high1 Ų152.6 Ų52.61%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-147.4151.4173.282.40000112.1A60 S61 L170S38-A60 CarbonylContact O-C 3.51Å; S38-A60 WeakPolarHBondContact O-CA 3.47Å; S38-S61 PolarHBondContact N-O 3.49Å; S38-S61 PolarHBondContact O-N 3.27Å; S38-S61 PolarHBondContact OG-OG 2.78Å; S38-L170 CarbonylContact C-O 3.56Å; S38-L170 VanDerWaalsContact CA-O 3.25Å; S38-L170 WeakPolarHBondContact CA-O 3.39Å
39L96Very high90.8Very high3 Ų352 Ų522%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-131.7116.1170.6-73.5160.5000107.2G59 A60 A91 F93 E131 V133 N137 S169 L170L39-G59 WeakPolarHBondContact CA-O 3.45Å; L39-A60 HydrophobicContact CD2-CB 3.72Å; L39-A91 HydrophobicContact CD1-CB 3.99Å; L39-A91 HydrophobicContact CD2-CB 4.21Å; L39-F93 HydrophobicContact CD1-CE1 4.47Å; L39-F93 HydrophobicContact CD1-CZ 3.8Å; L39-F93 HydrophobicContact CD2-CE1 3.81Å; L39-F93 HydrophobicContact CD2-CZ 3.99Å; L39-F93 HydrophobicContact CG-CE1 4.07Å; L39-F93 HydrophobicContact CG-CZ 3.8Å; L39-E131 HydrophobicContact CD2-CG 4.26Å; L39-V133 HydrophobicContact CB-CB 3.93Å; L39-V133 HydrophobicContact CB-CG2 4.17Å; L39-N137 HydrophobicContact CD1-CB 4.22Å; L39-S169 WeakPolarHBondContact O-CA 3.48Å; L39-L170 PolarHBondContact N-O 3.36Å; L39-L170 PolarHBondContact O-N 2.87Å
40T94.9Very high90Very high0 Ų045.7 Ų45.70%021%0.208CC..EExtended strand (participates in β ladder)trans-132.6139.1-171.3-56.50000111.6V56 P57 G59 Y167 S168 S169T40-V56 HydrophobicContact CG2-CG2 4.5Å; T40-V56 WeakPolarHBondContact OG1-CG2 3.38Å; T40-P57 WeakPolarHBondContact CB-O 3.46Å; T40-P57 PolarHBondContact OG1-O 2.93Å; T40-P57 VanDerWaalsContact OG1-O 3.13Å; T40-G59 PolarHBondContact N-O 3.49Å; T40-G59 PolarHBondContact O-N 2.83Å; T40-Y167 HydrophobicContact CG2-CD2 4.33Å; T40-Y167 HydrophobicContact CG2-CE2 3.42Å; T40-Y167 VanDerWaalsContact CG2-CE2 3.42Å; T40-Y167 WeakPolarHBondContact CG2-OH 3.5Å; T40-S168 WeakPolarHBondContact CA-O 3.43Å; T40-S169 WeakPolarHBondContact OG1-CB 3.45Å; T40-S169 PolarHBondContact OG1-OG 3.04Å
41Q93.1Very high89Confident75 Ų7545.9 Ų45.935%0.3521%0.209SC..EExtended strand (participates in β ladder)trans-126.1139.8173.1-175.9-175.717.700109.4V133 Y167 S168Q41-V133 HydrophobicContact CB-CG1 3.63Å; Q41-Y167 WeakPolarHBondContact O-CA 3.29Å; Q41-S168 PolarHBondContact N-O 2.83Å; Q41-S168 PolarHBondContact O-N 3.18Å
42G90.5Very high87.8Confident25 Ų2543.4 Ų43.426%0.25820%0.196SC..SBendtrans88.7162.4-179.600000112.8I58 Y167G42-I58 WeakPolarHBondContact O-CD1 3.24Å; G42-I58 VanDerWaalsContact O-CG1 3.29Å; G42-I58 WeakPolarHBondContact O-CG1 3.49Å; G42-Y167 WeakPolarHBondContact O-CD2 3.48Å
43L86.1Confident86.4Confident63 Ų6346.5 Ų46.533%0.3322%0.218SC..  trans-95.9122.9-179.9175.765.4000110.3R45 W49 I58 E436L43-R45 PolarHBondContact O-N 2.82Å; L43-R45 VanDerWaalsContact O-N 3.12Å; L43-W49 WeakPolarHBondContact O-CH2 3.33Å; L43-W49 WeakPolarHBondContact O-CZ3 3.34Å; L43-I58 HydrophobicContact CB-CD1 4.25Å; L43-I58 HydrophobicContact CD1-CD1 4.04Å; L43-E436 HydrophobicContact CD1-CG 4.15Å; L43-E436 HydrophobicContact CD2-CG 4.25Å
44W86.9Confident85.3Confident27 Ų2747.3 Ų47.310%0.10222%0.223CC..  trans-68.5107.8170.6-172-96.5000111.7H2 Q46 W49 G50 Y52 Y167 T195 V197H2-W44 AromaticContact CE1-CH2 3.57Å; H2-W44 AromaticContact CE1-CZ2 3.94Å; H2-W44 AromaticContact ND1-CH2 3.36Å; H2-W44 WeakPolarHBondContact ND1-CH2 3.21Å; W44-Q46 PolarHBondContact O-N 3.43Å; W44-W49 HydrophobicContact CD2-CB 4.46Å; W44-W49 HydrophobicContact CD2-CD2 4.48Å; W44-W49 AromaticContact CD2-CE3 3.45Å; W44-W49 HydrophobicContact CD2-CE3 3.45Å; W44-W49 VanDerWaalsContact CD2-CE3 3.45Å; W44-W49 HydrophobicContact CD2-CZ3 4.12Å; W44-W49 AromaticContact CE2-CE3 3.76Å; W44-W49 AromaticContact CE3-CE3 3.44Å; W44-W49 HydrophobicContact CE3-CE3 3.44Å; W44-W49 VanDerWaalsContact CE3-CE3 3.44Å; W44-W49 AromaticContact CE3-CZ3 3.86Å; W44-W49 HydrophobicContact CE3-CZ3 3.86Å; W44-W49 HydrophobicContact CG-CE3 4.04Å; W44-W49 HydrophobicContact CH2-CB 3.93Å; W44-W49 HydrophobicContact CH2-CE3 4.25Å; W44-W49 HydrophobicContact CZ2-CB 3.23Å; W44-W49 HydrophobicContact CZ2-CD2 4.49Å; W44-W49 HydrophobicContact CZ2-CE3 4.16Å; W44-W49 HydrophobicContact CZ2-CG 4.2Å; W44-W49 AromaticContact CZ3-CE3 3.88Å; W44-W49 HydrophobicContact CZ3-CE3 3.88Å; W44-W49 HydrophobicContact CZ3-CZ3 4.48Å; W44-G50 PolarHBondContact NE1-O 3.21Å; W44-Y52 AromaticContact CD1-CE1 3.91Å; W44-Y52 HydrophobicContact CD2-CD1 4.16Å; W44-Y52 AromaticContact CD2-CE1 3.14Å; W44-Y52 HydrophobicContact CD2-CE1 3.14Å; W44-Y52 AromaticContact CD2-CZ 3.6Å; W44-Y52 VanDerWaalsContact CD2-OH 3.25Å; W44-Y52 AromaticContact CE2-CD1 3.47Å; W44-Y52 VanDerWaalsContact CE2-CD1 3.47Å; W44-Y52 AromaticContact CE2-CE1 2.89Å; W44-Y52 AromaticContact CE2-CZ 3.82Å; W44-Y52 HydrophobicContact CE3-CD1 4.48Å; W44-Y52 AromaticContact CE3-CE1 3.45Å; W44-Y52 HydrophobicContact CE3-CE1 3.45Å; W44-Y52 VanDerWaalsContact CE3-CE1 3.45Å; W44-Y52 AromaticContact CE3-CZ 3.46Å; W44-Y52 VanDerWaalsContact CE3-CZ 3.46Å; W44-Y52 AromaticContact CG-CE1 3.85Å; W44-Y52 HydrophobicContact CG-CE1 3.85Å; W44-Y52 AromaticContact CH2-CD1 3.35Å; W44-Y52 HydrophobicContact CH2-CD1 3.35Å; W44-Y52 AromaticContact CH2-CE1 3.12Å; W44-Y52 HydrophobicContact CH2-CE1 3.12Å; W44-Y52 HydrophobicContact CH2-CE2 4.48Å; W44-Y52 HydrophobicContact CH2-CG 4.24Å; W44-Y52 AromaticContact CH2-CZ 3.58Å; W44-Y52 AromaticContact CZ2-CD1 3.02Å; W44-Y52 HydrophobicContact CZ2-CD1 3.02Å; W44-Y52 AromaticContact CZ2-CE1 2.89Å; W44-Y52 HydrophobicContact CZ2-CE1 2.89Å; W44-Y52 HydrophobicContact CZ2-CG 4.21Å; W44-Y52 AromaticContact CZ2-CZ 3.83Å; W44-Y52 HydrophobicContact CZ3-CD1 4.11Å; W44-Y52 AromaticContact CZ3-CE1 3.41Å; W44-Y52 HydrophobicContact CZ3-CE1 3.41Å; W44-Y52 VanDerWaalsContact CZ3-CE1 3.41Å; W44-Y52 HydrophobicContact CZ3-CE2 4.44Å; W44-Y52 AromaticContact CZ3-CZ 3.42Å; W44-Y52 VanDerWaalsContact CZ3-CZ 3.42Å; W44-Y52 VanDerWaalsContact CZ3-OH 3.26Å; W44-Y52 WeakPolarHBondContact CZ3-OH 3.14Å; W44-Y52 AromaticContact NE1-CD1 3.9Å; W44-Y52 AromaticContact NE1-CE1 3.38Å; W44-Y167 HydrophobicContact CB-CD2 4.24Å; W44-Y167 HydrophobicContact CB-CE2 3.87Å; W44-Y167 AromaticContact CE3-CD1 3.62Å; W44-Y167 HydrophobicContact CE3-CD1 3.62Å; W44-Y167 HydrophobicContact CE3-CD2 4.28Å; W44-Y167 AromaticContact CE3-CE1 3.67Å; W44-Y167 HydrophobicContact CE3-CE1 3.67Å; W44-Y167 HydrophobicContact CE3-CE2 4.34Å; W44-Y167 AromaticContact CE3-CG 3.93Å; W44-Y167 HydrophobicContact CE3-CG 3.93Å; W44-Y167 AromaticContact CZ3-CD1 3.93Å; W44-Y167 HydrophobicContact CZ3-CD1 3.93Å; W44-Y167 HydrophobicContact CZ3-CE1 4.11Å; W44-T195 HydrophobicContact CH2-CG2 4.42Å; W44-T195 HydrophobicContact CZ3-CG2 3.76Å; W44-V197 HydrophobicContact CE3-CG2 4.07Å; W44-V197 HydrophobicContact CH2-CG2 4.16Å; W44-V197 HydrophobicContact CZ3-CG2 3.47Å; W44-V197 VanDerWaalsContact CZ3-CG2 3.47Å
45R84.7Confident84.5Confident145 Ų14546.8 Ų46.855%0.54722%0.222SC..  trans-8480.1178.5-65-174.6177.4-180-0.4111L43 R47 L48 W49L43-R45 PolarHBondContact O-N 2.82Å; L43-R45 VanDerWaalsContact O-N 3.12Å; R45-R47 PolarHBondContact O-N 3.38Å; R45-L48 HydrophobicContact CB-CB 4.23Å; R45-L48 HydrophobicContact CB-CD1 4.14Å; R45-L48 HydrophobicContact CB-CG 4.3Å; R45-L48 PolarHBondContact O-N 2.97Å; R45-W49 HydrophobicContact CB-CD2 3.95Å; R45-W49 HydrophobicContact CB-CE3 3.99Å; R45-W49 HydrophobicContact CB-CH2 4.26Å; R45-W49 HydrophobicContact CB-CZ2 4.19Å; R45-W49 HydrophobicContact CB-CZ3 4.19Å; R45-W49 HydrophobicContact CG-CH2 4.15Å; R45-W49 HydrophobicContact CG-CZ2 4.28Å; R45-W49 HydrophobicContact CG-CZ3 4.39Å; R45-W49 WeakPolarHBondContact O-CB 3.46Å; R45-W49 PolarHBondContact O-N 3.38Å
46Q80.3Confident84.3Confident42 Ų4247.9 Ų47.920%0.19623%0.229CC..Hα-helixtrans-48.2-39.9-178-171.164.94.500114.2W44 L48 G50 Y51 L279W44-Q46 PolarHBondContact O-N 3.43Å; Q46-L48 VanDerWaalsContact C-N 3.31Å; Q46-L48 PolarHBondContact O-N 3.07Å; Q46-G50 VanDerWaalsContact O-CA 3.25Å; Q46-G50 WeakPolarHBondContact O-CA 3.47Å; Q46-G50 PolarHBondContact O-N 2.89Å; Q46-G50 PolarHBondContact OE1-O 3.07Å; Q46-Y51 VanDerWaalsContact NE2-CB 3.28Å; Q46-L279 VanDerWaalsContact NE2-CD1 3.3Å; Q46-L279 VanDerWaalsContact NE2-CG 3.33Å
47R79.1Confident84.1Confident204 Ų20444.8 Ų44.877%0.7722%0.215SC*.Hα-helixtrans-64.5-33.4179.3-173.317567.992.8-2.2113.6R45R45-R47 PolarHBondContact O-N 3.38Å
48L80.9Confident84Confident77 Ų7745.9 Ų45.940%0.40322%0.22SC..Hα-helixtrans-91.4-37.6-177-61.6-179.6000111.6R45 Q46R45-L48 HydrophobicContact CB-CB 4.23Å; R45-L48 HydrophobicContact CB-CD1 4.14Å; R45-L48 HydrophobicContact CB-CG 4.3Å; R45-L48 PolarHBondContact O-N 2.97Å; Q46-L48 VanDerWaalsContact C-N 3.31Å; Q46-L48 PolarHBondContact O-N 3.07Å
49W80.2Confident83.9Confident42 Ų4245.8 Ų45.816%0.15922%0.22CC..Hα-helixtrans-103.8-14.9-167.4-61.6-19.9000113.1H2 L43 W44 R45 Y167 V197H2-W49 WeakPolarHBondContact CE1-CB 3.1Å; H2-W49 AromaticContact CE1-CD1 3.81Å; H2-W49 AromaticContact CE1-CG 3.53Å; H2-W49 PolarHBondContact NE2-O 3.47Å; L43-W49 WeakPolarHBondContact O-CH2 3.33Å; L43-W49 WeakPolarHBondContact O-CZ3 3.34Å; W44-W49 HydrophobicContact CD2-CB 4.46Å; W44-W49 HydrophobicContact CD2-CD2 4.48Å; W44-W49 AromaticContact CD2-CE3 3.45Å; W44-W49 HydrophobicContact CD2-CE3 3.45Å; W44-W49 VanDerWaalsContact CD2-CE3 3.45Å; W44-W49 HydrophobicContact CD2-CZ3 4.12Å; W44-W49 AromaticContact CE2-CE3 3.76Å; W44-W49 AromaticContact CE3-CE3 3.44Å; W44-W49 HydrophobicContact CE3-CE3 3.44Å; W44-W49 VanDerWaalsContact CE3-CE3 3.44Å; W44-W49 AromaticContact CE3-CZ3 3.86Å; W44-W49 HydrophobicContact CE3-CZ3 3.86Å; W44-W49 HydrophobicContact CG-CE3 4.04Å; W44-W49 HydrophobicContact CH2-CB 3.93Å; W44-W49 HydrophobicContact CH2-CE3 4.25Å; W44-W49 HydrophobicContact CZ2-CB 3.23Å; W44-W49 HydrophobicContact CZ2-CD2 4.49Å; W44-W49 HydrophobicContact CZ2-CE3 4.16Å; W44-W49 HydrophobicContact CZ2-CG 4.2Å; W44-W49 AromaticContact CZ3-CE3 3.88Å; W44-W49 HydrophobicContact CZ3-CE3 3.88Å; W44-W49 HydrophobicContact CZ3-CZ3 4.48Å; R45-W49 HydrophobicContact CB-CD2 3.95Å; R45-W49 HydrophobicContact CB-CE3 3.99Å; R45-W49 HydrophobicContact CB-CH2 4.26Å; R45-W49 HydrophobicContact CB-CZ2 4.19Å; R45-W49 HydrophobicContact CB-CZ3 4.19Å; R45-W49 HydrophobicContact CG-CH2 4.15Å; R45-W49 HydrophobicContact CG-CZ2 4.28Å; R45-W49 HydrophobicContact CG-CZ3 4.39Å; R45-W49 WeakPolarHBondContact O-CB 3.46Å; R45-W49 PolarHBondContact O-N 3.38Å; W49-Y167 HydrophobicContact CZ3-CG 4.32Å; W49-V197 HydrophobicContact CD2-CG1 4.32Å; W49-V197 HydrophobicContact CD2-CG2 4.1Å; W49-V197 HydrophobicContact CE3-CG2 3.82Å; W49-V197 HydrophobicContact CH2-CB 4.38Å; W49-V197 HydrophobicContact CH2-CG1 4.17Å; W49-V197 HydrophobicContact CH2-CG2 4.19Å; W49-V197 HydrophobicContact CZ2-CB 4.46Å; W49-V197 HydrophobicContact CZ2-CG1 3.76Å; W49-V197 HydrophobicContact CZ2-CG2 4.44Å; W49-V197 HydrophobicContact CZ3-CG2 3.83Å
50G79.4Confident84Confident1 Ų145.7 Ų45.71%0.0122%0.219CC..  trans73.4-173.6-178.600000112.2W44 Q46 P275 D277W44-G50 PolarHBondContact NE1-O 3.21Å; Q46-G50 VanDerWaalsContact O-CA 3.25Å; Q46-G50 WeakPolarHBondContact O-CA 3.47Å; Q46-G50 PolarHBondContact O-N 2.89Å; Q46-G50 PolarHBondContact OE1-O 3.07Å; G50-P275 VanDerWaalsContact CA-CB 3.48Å; G50-D277 WeakPolarHBondContact CA-O 3.2Å
51Y74.8Confident84Confident44 Ų4446.1 Ų46.117%0.17322%0.222CC..  trans-90141179.8-178.3-122000113.3Q46 S53 V55 D277 L279 L431Q46-Y51 VanDerWaalsContact NE2-CB 3.28Å; Y51-S53 WeakPolarHBondContact OH-CB 3.37Å; Y51-V55 HydrophobicContact CD2-CG2 4.05Å; Y51-V55 HydrophobicContact CE2-CG2 3.73Å; Y51-D277 PolarHBondContact N-O 3.3Å; Y51-L279 HydrophobicContact CD1-CD2 3.71Å; Y51-L279 HydrophobicContact CD1-CG 4.43Å; Y51-L279 HydrophobicContact CD2-CD1 3.52Å; Y51-L279 HydrophobicContact CD2-CD2 3.62Å; Y51-L279 HydrophobicContact CD2-CG 3.67Å; Y51-L279 HydrophobicContact CE1-CD2 4.11Å; Y51-L279 HydrophobicContact CE2-CD1 4.06Å; Y51-L279 HydrophobicContact CE2-CD2 4.04Å; Y51-L279 HydrophobicContact CE2-CG 4.42Å; Y51-L279 HydrophobicContact CG-CD1 4.09Å; Y51-L279 HydrophobicContact CG-CD2 3.45Å; Y51-L279 VanDerWaalsContact CG-CD2 3.45Å; Y51-L279 HydrophobicContact CG-CG 3.69Å; Y51-L431 HydrophobicContact CD2-CD2 4.29Å; Y51-L431 HydrophobicContact CE1-CD2 4.16Å; Y51-L431 HydrophobicContact CE2-CD1 3.67Å; Y51-L431 HydrophobicContact CE2-CD2 3.54Å; Y51-L431 HydrophobicContact CE2-CG 4.23Å; Y51-L431 VanDerWaalsContact CZ-CD2 3.48Å; Y51-L431 WeakPolarHBondContact OH-CD1 3.32Å
52Y69.4Low84.2Confident22 Ų2242.5 Ų42.59%0.08621%0.206CC..  trans-150.3147.9169.567.2-74.6000107.3F4 W44 V55 Y167 T195F4-Y52 HydrophobicContact CD2-CD2 4.18Å; F4-Y52 HydrophobicContact CD2-CG 4.37Å; F4-Y52 HydrophobicContact CE1-CD2 4.05Å; F4-Y52 AromaticContact CE2-CD2 2.96Å; F4-Y52 HydrophobicContact CE2-CD2 2.96Å; F4-Y52 AromaticContact CE2-CE2 3.43Å; F4-Y52 HydrophobicContact CE2-CE2 3.43Å; F4-Y52 VanDerWaalsContact CE2-CE2 3.43Å; F4-Y52 AromaticContact CE2-CG 3.46Å; F4-Y52 HydrophobicContact CE2-CG 3.46Å; F4-Y52 VanDerWaalsContact CE2-CG 3.46Å; F4-Y52 AromaticContact CZ-CD2 2.92Å; F4-Y52 HydrophobicContact CZ-CD2 2.92Å; F4-Y52 AromaticContact CZ-CE2 3.39Å; F4-Y52 HydrophobicContact CZ-CE2 3.39Å; F4-Y52 AromaticContact CZ-CG 3.83Å; F4-Y52 HydrophobicContact CZ-CG 3.83Å; W44-Y52 AromaticContact CD1-CE1 3.91Å; W44-Y52 HydrophobicContact CD2-CD1 4.16Å; W44-Y52 AromaticContact CD2-CE1 3.14Å; W44-Y52 HydrophobicContact CD2-CE1 3.14Å; W44-Y52 AromaticContact CD2-CZ 3.6Å; W44-Y52 VanDerWaalsContact CD2-OH 3.25Å; W44-Y52 AromaticContact CE2-CD1 3.47Å; W44-Y52 VanDerWaalsContact CE2-CD1 3.47Å; W44-Y52 AromaticContact CE2-CE1 2.89Å; W44-Y52 AromaticContact CE2-CZ 3.82Å; W44-Y52 HydrophobicContact CE3-CD1 4.48Å; W44-Y52 AromaticContact CE3-CE1 3.45Å; W44-Y52 HydrophobicContact CE3-CE1 3.45Å; W44-Y52 VanDerWaalsContact CE3-CE1 3.45Å; W44-Y52 AromaticContact CE3-CZ 3.46Å; W44-Y52 VanDerWaalsContact CE3-CZ 3.46Å; W44-Y52 AromaticContact CG-CE1 3.85Å; W44-Y52 HydrophobicContact CG-CE1 3.85Å; W44-Y52 AromaticContact CH2-CD1 3.35Å; W44-Y52 HydrophobicContact CH2-CD1 3.35Å; W44-Y52 AromaticContact CH2-CE1 3.12Å; W44-Y52 HydrophobicContact CH2-CE1 3.12Å; W44-Y52 HydrophobicContact CH2-CE2 4.48Å; W44-Y52 HydrophobicContact CH2-CG 4.24Å; W44-Y52 AromaticContact CH2-CZ 3.58Å; W44-Y52 AromaticContact CZ2-CD1 3.02Å; W44-Y52 HydrophobicContact CZ2-CD1 3.02Å; W44-Y52 AromaticContact CZ2-CE1 2.89Å; W44-Y52 HydrophobicContact CZ2-CE1 2.89Å; W44-Y52 HydrophobicContact CZ2-CG 4.21Å; W44-Y52 AromaticContact CZ2-CZ 3.83Å; W44-Y52 HydrophobicContact CZ3-CD1 4.11Å; W44-Y52 AromaticContact CZ3-CE1 3.41Å; W44-Y52 HydrophobicContact CZ3-CE1 3.41Å; W44-Y52 VanDerWaalsContact CZ3-CE1 3.41Å; W44-Y52 HydrophobicContact CZ3-CE2 4.44Å; W44-Y52 AromaticContact CZ3-CZ 3.42Å; W44-Y52 VanDerWaalsContact CZ3-CZ 3.42Å; W44-Y52 VanDerWaalsContact CZ3-OH 3.26Å; W44-Y52 WeakPolarHBondContact CZ3-OH 3.14Å; W44-Y52 AromaticContact NE1-CD1 3.9Å; W44-Y52 AromaticContact NE1-CE1 3.38Å; Y52-V55 WeakPolarHBondContact O-CG2 3.49Å; Y52-Y167 VanDerWaalsContact OH-CE1 3.31Å; Y52-Y167 WeakPolarHBondContact OH-CE1 3.44Å; Y52-Y167 PolarHBondContact OH-OH 3.21Å; Y52-T195 HydrophobicContact CD2-CG2 4.49Å; Y52-T195 HydrophobicContact CE2-CG2 3.6Å
53S65.8Low84.6Confident66 Ų6643.7 Ų43.746%0.46220%0.203SC..SBendtrans-103.3140.2177.4-168.50000109.5F4 Y51F4-S53 WeakPolarHBondContact CE1-O 3.19Å; Y51-S53 WeakPolarHBondContact OH-CB 3.37Å
54P71.1Confident85.1Confident47 Ų4740.7 Ų40.731%0.30519%0.187SC..PPolyproline II helixcis-87.7143.2-3.133.2-31.9000112.9
55V79.5Confident85.6Confident22 Ų2240.2 Ų40.213%0.13319%0.186CC..PPolyproline II helixtrans-87.4124168.2-177.10000107.9Y51 Y52 F434Y51-V55 HydrophobicContact CD2-CG2 4.05Å; Y51-V55 HydrophobicContact CE2-CG2 3.73Å; Y52-V55 WeakPolarHBondContact O-CG2 3.49Å; V55-F434 HydrophobicContact CG1-CD2 4.28Å; V55-F434 WeakPolarHBondContact O-CE2 3.32Å
56V90.2Very high86.2Confident24 Ų2433.5 Ų33.515%0.14516%0.161CC..  trans-120.1153.3-176.7-67.90000111.1T40 S169 A171T40-V56 HydrophobicContact CG2-CG2 4.5Å; T40-V56 WeakPolarHBondContact OG1-CG2 3.38Å; V56-S169 WeakPolarHBondContact CG2-OG 3.35Å; V56-A171 HydrophobicContact CG1-CB 4.26Å
57P91.7Very high86.8Confident5 Ų534.5 Ų34.53%0.03217%0.166CC..  trans-70.7158.1178.631.1-35.1000111T40 F434T40-P57 WeakPolarHBondContact CB-O 3.46Å; T40-P57 PolarHBondContact OG1-O 2.93Å; T40-P57 VanDerWaalsContact OG1-O 3.13Å; P57-F434 HydrophobicContact CB-CD1 3.74Å; P57-F434 HydrophobicContact CB-CD2 4.39Å; P57-F434 HydrophobicContact CB-CE1 3.86Å; P57-F434 HydrophobicContact CB-CG 4.02Å; P57-F434 HydrophobicContact CB-CZ 4.26Å; P57-F434 HydrophobicContact CG-CD1 4.43Å; P57-F434 HydrophobicContact CG-CE1 4.06Å; P57-F434 HydrophobicContact CG-CE2 4.48Å; P57-F434 HydrophobicContact CG-CZ 4.1Å
58I93Very high87.4Confident28 Ų2831.9 Ų31.914%0.14417%0.167CC..SBendtrans-68.6145.2168.7-55.9175.2000109G42 L43 Q437G42-I58 WeakPolarHBondContact O-CD1 3.24Å; G42-I58 VanDerWaalsContact O-CG1 3.29Å; G42-I58 WeakPolarHBondContact O-CG1 3.49Å; L43-I58 HydrophobicContact CB-CD1 4.25Å; L43-I58 HydrophobicContact CD1-CD1 4.04Å; I58-Q437 VanDerWaalsContact C-NE2 3.27Å; I58-Q437 HydrophobicContact CB-CG 4.07Å; I58-Q437 VanDerWaalsContact CB-NE2 3.26Å; I58-Q437 HydrophobicContact CD1-CG 4.32Å; I58-Q437 PolarHBondContact O-NE2 3.2Å
59G95.1Very high88Confident0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans86.6-158.9-175.600000112.4L39 T40 L128 E131L39-G59 WeakPolarHBondContact CA-O 3.45Å; T40-G59 PolarHBondContact N-O 3.49Å; T40-G59 PolarHBondContact O-N 2.83Å; G59-L128 WeakPolarHBondContact CA-O 3.48Å; G59-E131 CarbonylContact C-O 3.53Å; G59-E131 WeakPolarHBondContact CA-O 3.49Å
60A96.6Very high88.6Confident0 Ų033.6 Ų33.60%018%0.183CC..EExtended strand (participates in β ladder)trans-92.4134.1177.100000109.9S38 L39 F93 V127 L128 E131S38-A60 CarbonylContact O-C 3.51Å; S38-A60 WeakPolarHBondContact O-CA 3.47Å; L39-A60 HydrophobicContact CD2-CB 3.72Å; A60-F93 HydrophobicContact CB-CD1 3.93Å; A60-F93 HydrophobicContact CB-CE1 3.66Å; A60-V127 CarbonylContact O-C 3.59Å; A60-V127 VanDerWaalsContact O-CA 3.28Å; A60-V127 WeakPolarHBondContact O-CA 3.33Å; A60-V127 WeakPolarHBondContact O-CG1 3.39Å; A60-L128 HydrophobicContact CB-CB 4.16Å; A60-L128 PolarHBondContact N-O 3.46Å; A60-L128 PolarHBondContact O-N 3.4Å; A60-E131 HydrophobicContact CB-CB 3.8Å; A60-E131 HydrophobicContact CB-CG 3.82Å; A60-E131 PolarHBondContact N-O 3.02Å
61S96.3Very high89.3Confident9 Ų936.3 Ų36.36%0.06321%0.206CC..EExtended strand (participates in β ladder)trans-137.3138.6171.7720000110.8L37 S38 G126L37-S61 CarbonylContact C-O 3.58Å; L37-S61 VanDerWaalsContact CA-O 3.23Å; L37-S61 WeakPolarHBondContact CA-O 3.42Å; S38-S61 PolarHBondContact N-O 3.49Å; S38-S61 PolarHBondContact O-N 3.27Å; S38-S61 PolarHBondContact OG-OG 2.78Å; S61-G126 CarbonylContact C-O 3.52Å; S61-G126 WeakPolarHBondContact CA-O 3.32Å
62I97.6Very high90.2Very high0 Ų044.6 Ų44.60%024%0.237CC..EExtended strand (participates in β ladder)trans-133.4126.1172.8-57.5-178.3000108.8L35 Q36 L37 W78 V82 L85 F93 I96 Y125 G126L35-I62 HydrophobicContact CD1-CG2 3.83Å; Q36-I62 CarbonylContact O-C 3.57Å; Q36-I62 WeakPolarHBondContact O-CA 3.31Å; L37-I62 HydrophobicContact CB-CG1 4.1Å; I62-W78 HydrophobicContact CB-CH2 3.83Å; I62-W78 HydrophobicContact CB-CZ3 4.35Å; I62-W78 HydrophobicContact CG2-CH2 3.64Å; I62-W78 HydrophobicContact CG2-CZ3 3.63Å; I62-V82 HydrophobicContact CD1-CG2 4.49Å; I62-L85 HydrophobicContact CD1-CD1 4.09Å; I62-F93 HydrophobicContact CD1-CB 3.87Å; I62-F93 HydrophobicContact CD1-CD1 3.62Å; I62-F93 HydrophobicContact CD1-CD2 4Å; I62-F93 HydrophobicContact CD1-CE1 4.06Å; I62-F93 HydrophobicContact CD1-CE2 4.41Å; I62-F93 HydrophobicContact CD1-CG 3.59Å; I62-F93 HydrophobicContact CD1-CZ 4.44Å; I62-F93 HydrophobicContact CG1-CD1 4.1Å; I62-F93 HydrophobicContact CG1-CE1 4.17Å; I62-I96 HydrophobicContact CB-CD1 4.41Å; I62-I96 HydrophobicContact CD1-CD1 4.03Å; I62-I96 HydrophobicContact CG1-CD1 4.11Å; I62-Y125 CarbonylContact O-C 3.55Å; I62-Y125 WeakPolarHBondContact O-CA 3.29Å; I62-Y125 VanDerWaalsContact O-CD2 3.28Å; I62-Y125 WeakPolarHBondContact O-CD2 3.5Å; I62-G126 PolarHBondContact N-O 2.85Å; I62-G126 PolarHBondContact O-N 2.86Å
63Y97Very high91.5Very high50 Ų5045.1 Ų45.120%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-114.4129.3166.2173.7-92.4000108.7L35 Q36 L65 P104 R124 Y125L35-Y63 CarbonylContact C-O 3.54Å; L35-Y63 WeakPolarHBondContact CA-O 3.43Å; Q36-Y63 PolarHBondContact N-O 2.83Å; Q36-Y63 PolarHBondContact O-N 3.49Å; Y63-L65 HydrophobicContact CE1-CB 4.37Å; Y63-P104 HydrophobicContact CE2-CG 4.32Å; Y63-R124 CarbonylContact C-O 3.44Å; Y63-R124 WeakPolarHBondContact CA-O 3.43Å; Y63-Y125 HydrophobicContact CD2-CD2 4.36Å
64A97.7Very high93Very high0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-132.3134175.100000110.7K34 L35 F66 W78 L81 S123 R124K34-A64 CarbonylContact O-C 3.47Å; K34-A64 WeakPolarHBondContact O-CA 3.21Å; L35-A64 HydrophobicContact CD1-CB 4.04Å; A64-F66 HydrophobicContact CB-CD2 4.45Å; A64-F66 HydrophobicContact CB-CE2 3.69Å; A64-F66 HydrophobicContact CB-CZ 3.78Å; A64-W78 HydrophobicContact CB-CE3 4.09Å; A64-W78 HydrophobicContact CB-CZ3 3.8Å; A64-L81 HydrophobicContact CB-CD2 3.71Å; A64-S123 CarbonylContact O-C 3.59Å; A64-S123 VanDerWaalsContact O-CA 3.3Å; A64-S123 WeakPolarHBondContact O-CA 3.36Å; A64-R124 PolarHBondContact N-O 2.83Å; A64-R124 PolarHBondContact O-N 3.1Å
65L96.8Very high94.2Very high17 Ų1743 Ų439%0.08922%0.224CC..EExtended strand (participates in β ladder)trans-107.3127.2166.2178.263.8000108.2S33 K34 Y63 E119 N122S33-L65 PolarHBondContact N-O 3.26Å; K34-L65 HydrophobicContact CB-CB 4Å; K34-L65 PolarHBondContact N-O 2.78Å; K34-L65 VanDerWaalsContact N-O 3.16Å; K34-L65 PolarHBondContact O-N 2.6Å; Y63-L65 HydrophobicContact CE1-CB 4.37Å; L65-E119 HydrophobicContact CD1-CB 3.81Å; L65-E119 HydrophobicContact CD1-CG 4.4Å; L65-N122 HydrophobicContact CD1-CB 4.09Å
66F97Very high95.1Very high3 Ų347.3 Ų47.31%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-103.4158.1-179.9-62.3-84.8000111.4Y30 H31 V32 A64 I74 K77 W78 L81 N122 R124Y30-F66 VanDerWaalsContact O-CD1 3.23Å; Y30-F66 WeakPolarHBondContact O-CD1 3.36Å; H31-F66 WeakPolarHBondContact O-CA 3.28Å; V32-F66 HydrophobicContact CG2-CD1 4.12Å; V32-F66 HydrophobicContact CG2-CE1 3.8Å; A64-F66 HydrophobicContact CB-CD2 4.45Å; A64-F66 HydrophobicContact CB-CE2 3.69Å; A64-F66 HydrophobicContact CB-CZ 3.78Å; F66-I74 HydrophobicContact CB-CG2 4.36Å; F66-I74 HydrophobicContact CD2-CG2 3.58Å; F66-I74 HydrophobicContact CE2-CG2 4.15Å; F66-I74 HydrophobicContact CG-CG2 4.11Å; F66-K77 HydrophobicContact CD1-CB 4.11Å; F66-K77 HydrophobicContact CE1-CB 3.87Å; F66-W78 HydrophobicContact CE2-CB 4.25Å; F66-W78 HydrophobicContact CE2-CE3 4.15Å; F66-W78 HydrophobicContact CZ-CB 4.14Å; F66-W78 HydrophobicContact CZ-CE3 4.04Å; F66-L81 HydrophobicContact CE1-CD2 3.99Å; F66-L81 HydrophobicContact CZ-CD2 3.7Å; F66-N122 HydrophobicContact CB-CB 4.49Å; F66-N122 VanDerWaalsContact CD2-O 3.31Å; F66-N122 WeakPolarHBondContact CD2-O 3.27Å; F66-N122 PolarHBondContact N-O 2.88Å; F66-N122 WeakPolarHBondContact O-CB 3.44Å; F66-R124 HydrophobicContact CE2-CB 4.31Å; F66-R124 HydrophobicContact CE2-CG 4.12Å
67E93.8Very high95.5Very high63 Ų6347.4 Ų47.429%0.29424%0.241SC..PPolyproline II helixtrans-57.4154.2165.8-69.7167.5-159.100110.9H31 S33 D69 R176H31-E67 HydrophobicContact CB-CB 4.19Å; H31-E67 HydrophobicContact CB-CG 4.27Å; H31-E67 IonicContact CG-OE2 3.17Å; H31-E67 IonicContact ND1-OE2 2.68Å; H31-E67 PolarHBondContact ND1-OE2 3.41Å; H31-E67 PolarHBondContact O-N 2.9Å; S33-E67 PolarHBondContact OG-N 3Å; E67-D69 PolarHBondContact O-N 3.34Å; E67-D69 VanDerWaalsContact O-N 3.15Å; E67-R176 IonicContact OE1-CZ 2.83Å; E67-R176 IonicContact OE1-NE 3.41Å; E67-R176 IonicContact OE1-NH1 3.66Å; E67-R176 IonicContact OE1-NH2 2.83Å; E67-R176 PolarHBondContact OE1-NH2 2.04Å
68N92.3Very high95.8Very high150 Ų15047.5 Ų47.580%0.80224%0.241SC*.SBendtrans-57.2119.7-178.3-76.8-29.6000111.3N122N68-N122 PolarHBondContact OD1-ND2 2.67Å
69D92.6Very high96Very high63 Ų6352.9 Ų52.934%0.33726%0.26SS..  trans-155.6175.1179.4-157.2-24000109.8E67 S73 I74 K77E67-D69 PolarHBondContact O-N 3.34Å; E67-D69 VanDerWaalsContact O-N 3.15Å; D69-S73 VanDerWaalsContact OD1-CB 3.24Å; D69-S73 WeakPolarHBondContact OD1-CB 2.93Å; D69-S73 PolarHBondContact OD1-OG 3.1Å; D69-S73 VanDerWaalsContact OD2-CB 3.26Å; D69-S73 WeakPolarHBondContact OD2-CB 2.84Å; D69-S73 PolarHBondContact OD2-OG 3.36Å; D69-I74 HydrophobicContact CB-CD1 4.22Å; D69-I74 HydrophobicContact CB-CG1 3.93Å; D69-K77 WeakPolarHBondContact OD2-CE 3.39Å; D69-K77 IonicContact OD2-NZ 3.89Å; D69-K77 PolarHBondContact OD2-NZ 3.03Å
70T93.7Very high96.1Very high91 Ų9153.6 Ų53.656%0.55827%0.267SS*.  trans-66145.717363.60000111.3R72 S73 I74T70-R72 PolarHBondContact O-N 3.48Å; T70-R72 VanDerWaalsContact O-N 3.13Å; T70-S73 WeakPolarHBondContact O-CB 3.03Å; T70-S73 PolarHBondContact O-N 2.92Å; T70-S73 VanDerWaalsContact OG1-CB 3.3Å; T70-S73 WeakPolarHBondContact OG1-CB 3.41Å; T70-S73 PolarHBondContact OG1-N 3.33Å; T70-I74 WeakPolarHBondContact O-CG1 3.39Å; T70-I74 PolarHBondContact O-N 3.46Å
71A92.6Very high96.2Very high59 Ų5953.6 Ų53.649%0.48827%0.267SS..Hα-helixtrans-53.5-39.3-179.600000113.2I74 D75A71-I74 PolarHBondContact O-N 3.5Å; A71-D75 VanDerWaalsContact O-CG 3.23Å; A71-D75 PolarHBondContact O-N 3.28Å
72R95Very high96.2Very high218 Ų21853.3 Ų53.382%0.82327%0.265SS*.Hα-helixtrans-65.1-39.5177.7-174.1177.5-178.3172.60.8112.8T70 H76T70-R72 PolarHBondContact O-N 3.48Å; T70-R72 VanDerWaalsContact O-N 3.13Å; R72-H76 PolarHBondContact O-N 3.31Å; R72-H76 VanDerWaalsContact O-N 3.15Å
73S96.7Very high96.2Very high33 Ų3359.3 Ų59.323%0.23129%0.292CS..Hα-helixtrans-66.3-42.3175-178.40000110.6D69 T70 D75 H76 K77D69-S73 VanDerWaalsContact OD1-CB 3.24Å; D69-S73 WeakPolarHBondContact OD1-CB 2.93Å; D69-S73 PolarHBondContact OD1-OG 3.1Å; D69-S73 VanDerWaalsContact OD2-CB 3.26Å; D69-S73 WeakPolarHBondContact OD2-CB 2.84Å; D69-S73 PolarHBondContact OD2-OG 3.36Å; T70-S73 WeakPolarHBondContact O-CB 3.03Å; T70-S73 PolarHBondContact O-N 2.92Å; T70-S73 VanDerWaalsContact OG1-CB 3.3Å; T70-S73 WeakPolarHBondContact OG1-CB 3.41Å; T70-S73 PolarHBondContact OG1-N 3.33Å; S73-D75 PolarHBondContact O-N 2.87Å; S73-H76 WeakPolarHBondContact O-CA 3.39Å; S73-H76 WeakPolarHBondContact O-CB 3.49Å; S73-H76 PolarHBondContact O-N 3.36Å; S73-H76 VanDerWaalsContact O-N 3.1Å; S73-K77 WeakPolarHBondContact O-CG 3.31Å; S73-K77 PolarHBondContact O-N 3.45Å
74I97.3Very high96.2Very high0 Ų058.5 Ų58.50%029%0.294CS..Hα-helixtrans-64-41178.2-61.7-178.5000111.3F66 D69 T70 A71 H76 K77 W78 N122 R124F66-I74 HydrophobicContact CB-CG2 4.36Å; F66-I74 HydrophobicContact CD2-CG2 3.58Å; F66-I74 HydrophobicContact CE2-CG2 4.15Å; F66-I74 HydrophobicContact CG-CG2 4.11Å; D69-I74 HydrophobicContact CB-CD1 4.22Å; D69-I74 HydrophobicContact CB-CG1 3.93Å; T70-I74 WeakPolarHBondContact O-CG1 3.39Å; T70-I74 PolarHBondContact O-N 3.46Å; A71-I74 PolarHBondContact O-N 3.5Å; I74-H76 VanDerWaalsContact C-N 3.26Å; I74-H76 PolarHBondContact O-N 2.97Å; I74-K77 PolarHBondContact O-N 2.88Å; I74-W78 VanDerWaalsContact O-CB 3.24Å; I74-W78 WeakPolarHBondContact O-CB 3.17Å; I74-W78 PolarHBondContact O-N 3.38Å; I74-N122 HydrophobicContact CD1-CB 3.72Å; I74-N122 VanDerWaalsContact CD1-OD1 3.22Å; I74-N122 WeakPolarHBondContact CD1-OD1 3.44Å; I74-R124 HydrophobicContact CG2-CG 4.28Å
75D96.6Very high96.2Very high68 Ų6858.5 Ų58.536%0.36429%0.294SS..Hα-helixtrans-65.5-30.4174.8-66.1-23.7000112.6A71 S73 R79 R124A71-D75 VanDerWaalsContact O-CG 3.23Å; A71-D75 PolarHBondContact O-N 3.28Å; S73-D75 PolarHBondContact O-N 2.87Å; D75-R79 WeakPolarHBondContact O-CG 3.43Å; D75-R79 PolarHBondContact O-N 2.84Å; D75-R79 PolarHBondContact O-NE 3.45Å; D75-R124 IonicContact OD1-CZ 3.93Å; D75-R124 IonicContact OD1-NE 2.67Å; D75-R124 PolarHBondContact OD1-NE 2.9Å; D75-R124 IonicContact OD1-NH2 2.78Å; D75-R124 PolarHBondContact OD1-NH2 3.07Å
76H97.3Very high96.1Very high113 Ų11358.5 Ų58.552%0.52330%0.296SS..Hα-helixtrans-71.1-48.3172.6-178-88.8000111.7R72 S73 I74 W78 R79 G80R72-H76 PolarHBondContact O-N 3.31Å; R72-H76 VanDerWaalsContact O-N 3.15Å; S73-H76 WeakPolarHBondContact O-CA 3.39Å; S73-H76 WeakPolarHBondContact O-CB 3.49Å; S73-H76 PolarHBondContact O-N 3.36Å; S73-H76 VanDerWaalsContact O-N 3.1Å; I74-H76 VanDerWaalsContact C-N 3.26Å; I74-H76 PolarHBondContact O-N 2.97Å; H76-W78 VanDerWaalsContact C-N 3.32Å; H76-W78 PolarHBondContact O-N 3.47Å; H76-R79 PolarHBondContact O-N 3.17Å; H76-G80 PolarHBondContact O-N 2.88Å
77K97.9Very high96Very high25 Ų2561.2 Ų61.211%0.10933%0.325CS..Hα-helixtrans-59.2-42.2175.4-72.3170173.5179.30111.5Y30 H31 F66 D69 S73 I74 G80 L81Y30-K77 HydrophobicContact CD1-CB 4.36Å; Y30-K77 WeakPolarHBondContact CD1-O 3.45Å; H31-K77 HydrophobicContact CB-CD 4.5Å; F66-K77 HydrophobicContact CD1-CB 4.11Å; F66-K77 HydrophobicContact CE1-CB 3.87Å; D69-K77 WeakPolarHBondContact OD2-CE 3.39Å; D69-K77 IonicContact OD2-NZ 3.89Å; D69-K77 PolarHBondContact OD2-NZ 3.03Å; S73-K77 WeakPolarHBondContact O-CG 3.31Å; S73-K77 PolarHBondContact O-N 3.45Å; I74-K77 PolarHBondContact O-N 2.88Å; K77-G80 PolarHBondContact O-N 3.22Å; K77-L81 WeakPolarHBondContact O-CB 3.14Å; K77-L81 PolarHBondContact O-N 2.92Å
78W97.9Very high96.1Very high7 Ų760 Ų603%0.02732%0.32CS..Hα-helixtrans-58.6-51.5175.1173.8-119.1000112.7I62 A64 F66 I74 H76 G80 L81 V82 I96 T101 R124I62-W78 HydrophobicContact CB-CH2 3.83Å; I62-W78 HydrophobicContact CB-CZ3 4.35Å; I62-W78 HydrophobicContact CG2-CH2 3.64Å; I62-W78 HydrophobicContact CG2-CZ3 3.63Å; A64-W78 HydrophobicContact CB-CE3 4.09Å; A64-W78 HydrophobicContact CB-CZ3 3.8Å; F66-W78 HydrophobicContact CE2-CB 4.25Å; F66-W78 HydrophobicContact CE2-CE3 4.15Å; F66-W78 HydrophobicContact CZ-CB 4.14Å; F66-W78 HydrophobicContact CZ-CE3 4.04Å; I74-W78 VanDerWaalsContact O-CB 3.24Å; I74-W78 WeakPolarHBondContact O-CB 3.17Å; I74-W78 PolarHBondContact O-N 3.38Å; H76-W78 VanDerWaalsContact C-N 3.32Å; H76-W78 PolarHBondContact O-N 3.47Å; W78-G80 VanDerWaalsContact C-N 3.33Å; W78-G80 PolarHBondContact O-N 2.91Å; W78-L81 HydrophobicContact CE3-CD2 4.28Å; W78-L81 HydrophobicContact CZ3-CD2 4.45Å; W78-L81 PolarHBondContact O-N 3.27Å; W78-V82 HydrophobicContact CD2-CG2 3.69Å; W78-V82 HydrophobicContact CE3-CG2 3.73Å; W78-V82 HydrophobicContact CG-CG2 4.49Å; W78-V82 HydrophobicContact CH2-CG2 3.72Å; W78-V82 HydrophobicContact CZ2-CG2 3.67Å; W78-V82 HydrophobicContact CZ3-CG2 3.73Å; W78-V82 WeakPolarHBondContact O-CB 3.36Å; W78-V82 VanDerWaalsContact O-CG2 3.27Å; W78-V82 WeakPolarHBondContact O-CG2 3.28Å; W78-V82 PolarHBondContact O-N 3.49Å; W78-I96 HydrophobicContact CZ2-CG2 3.62Å; W78-T101 HydrophobicContact CZ2-CG2 4.18Å; W78-T101 VanDerWaalsContact NE1-CG2 3.34Å; W78-T101 PolarHBondContact NE1-OG1 3.39Å; W78-R124 HydrophobicContact CB-CG 4.04Å; W78-R124 HydrophobicContact CD2-CB 3.57Å; W78-R124 HydrophobicContact CD2-CG 4.06Å; W78-R124 HydrophobicContact CE3-CB 3.67Å; W78-R124 HydrophobicContact CE3-CG 4.41Å; W78-R124 HydrophobicContact CG-CB 3.96Å; W78-R124 HydrophobicContact CG-CG 3.88Å; W78-R124 HydrophobicContact CH2-CB 4.3Å; W78-R124 HydrophobicContact CZ2-CB 4.21Å; W78-R124 HydrophobicContact CZ3-CB 4.06Å
79R97.5Very high96.2Very high142 Ų14252.9 Ų52.954%0.53628%0.282SS..Hα-helixtrans-60.2-42.8177.6-76.7-179.3-70.1112.9-5.9112.1D75 H76 H83D75-R79 WeakPolarHBondContact O-CG 3.43Å; D75-R79 PolarHBondContact O-N 2.84Å; D75-R79 PolarHBondContact O-NE 3.45Å; H76-R79 PolarHBondContact O-N 3.17Å; R79-H83 WeakPolarHBondContact O-CB 3.41Å; R79-H83 PolarHBondContact O-N 2.63Å; R79-H83 VanDerWaalsContact O-N 3.08Å
80G97.6Very high96.3Very high15 Ų1553.6 Ų53.616%0.15529%0.29CS..Hα-helixtrans-64.4-44.6176.600000112.9Y30 H76 K77 W78 H83 S84Y30-G80 VanDerWaalsContact CE2-C 3.43Å; Y30-G80 WeakPolarHBondContact CE2-O 3.42Å; Y30-G80 WeakPolarHBondContact OH-CA 3.38Å; Y30-G80 PolarHBondContact OH-O 2.73Å; H76-G80 PolarHBondContact O-N 2.88Å; K77-G80 PolarHBondContact O-N 3.22Å; W78-G80 VanDerWaalsContact C-N 3.33Å; W78-G80 PolarHBondContact O-N 2.91Å; G80-H83 PolarHBondContact O-N 2.9Å; G80-S84 WeakPolarHBondContact O-CB 3.13Å; G80-S84 PolarHBondContact O-N 2.77Å; G80-S84 PolarHBondContact O-OG 2.79Å
81L98.1Very high96.3Very high0 Ų049.4 Ų49.40%027%0.265CS..Hα-helixtrans-58.6-53.4177.3175.565.1000111I26 Y30 V32 L35 A64 F66 K77 W78 H83 S84 L85I26-L81 HydrophobicContact CG2-CD1 3.53Å; Y30-L81 HydrophobicContact CD2-CB 3.85Å; Y30-L81 HydrophobicContact CD2-CD1 4.06Å; Y30-L81 HydrophobicContact CE2-CB 4.44Å; Y30-L81 HydrophobicContact CG-CB 4.05Å; V32-L81 HydrophobicContact CG2-CD1 4.07Å; V32-L81 HydrophobicContact CG2-CD2 3.87Å; L35-L81 HydrophobicContact CD1-CD2 4.12Å; A64-L81 HydrophobicContact CB-CD2 3.71Å; F66-L81 HydrophobicContact CE1-CD2 3.99Å; F66-L81 HydrophobicContact CZ-CD2 3.7Å; K77-L81 WeakPolarHBondContact O-CB 3.14Å; K77-L81 PolarHBondContact O-N 2.92Å; W78-L81 HydrophobicContact CE3-CD2 4.28Å; W78-L81 HydrophobicContact CZ3-CD2 4.45Å; W78-L81 PolarHBondContact O-N 3.27Å; L81-H83 VanDerWaalsContact C-N 3.31Å; L81-H83 PolarHBondContact O-N 3.09Å; L81-S84 PolarHBondContact O-N 3.03Å; L81-L85 HydrophobicContact CD1-CD1 3.87Å; L81-L85 HydrophobicContact CD1-CG 4.08Å; L81-L85 HydrophobicContact CG-CD1 3.88Å; L81-L85 HydrophobicContact CG-CG 4.42Å; L81-L85 WeakPolarHBondContact O-CB 3.26Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 3.44Å
82V97.6Very high96.4Very high2 Ų248.3 Ų48.31%0.01225%0.254CS..Hα-helixtrans-59.8-41.7-179.3168.90000111.4I62 W78 S86 F93 I96I62-V82 HydrophobicContact CD1-CG2 4.49Å; W78-V82 HydrophobicContact CD2-CG2 3.69Å; W78-V82 HydrophobicContact CE3-CG2 3.73Å; W78-V82 HydrophobicContact CG-CG2 4.49Å; W78-V82 HydrophobicContact CH2-CG2 3.72Å; W78-V82 HydrophobicContact CZ2-CG2 3.67Å; W78-V82 HydrophobicContact CZ3-CG2 3.73Å; W78-V82 WeakPolarHBondContact O-CB 3.36Å; W78-V82 VanDerWaalsContact O-CG2 3.27Å; W78-V82 WeakPolarHBondContact O-CG2 3.28Å; W78-V82 PolarHBondContact O-N 3.49Å; V82-S86 WeakPolarHBondContact O-CB 3.46Å; V82-S86 PolarHBondContact O-N 2.89Å; V82-F93 HydrophobicContact CG1-CB 4.08Å; V82-F93 WeakPolarHBondContact CG1-O 3.13Å; V82-I96 HydrophobicContact CG1-CB 3.96Å
83H97.4Very high96.4Very high126 Ų12638 Ų3858%0.58322%0.215SC*.Hα-helixtrans-66.1-42.5176.3-166.581.5000112.3R79 G80 L81 S86 G87R79-H83 WeakPolarHBondContact O-CB 3.41Å; R79-H83 PolarHBondContact O-N 2.63Å; R79-H83 VanDerWaalsContact O-N 3.08Å; G80-H83 PolarHBondContact O-N 2.9Å; L81-H83 VanDerWaalsContact C-N 3.31Å; L81-H83 PolarHBondContact O-N 3.09Å; H83-S86 VanDerWaalsContact O-CB 3.27Å; H83-S86 WeakPolarHBondContact O-CB 3.21Å; H83-S86 PolarHBondContact O-N 3.38Å; H83-G87 PolarHBondContact O-N 3.36Å
84S97.3Very high96.3Very high33 Ų3339.2 Ų39.223%0.23122%0.224CC..Hα-helixtrans-66.2-40.5178-62.70000112.2Y30 G80 L81 S86 G87 L88Y30-S84 WeakPolarHBondContact CE2-OG 3.39Å; Y30-S84 PolarHBondContact OH-OG 3.37Å; Y30-S84 VanDerWaalsContact OH-OG 3.1Å; G80-S84 WeakPolarHBondContact O-CB 3.13Å; G80-S84 PolarHBondContact O-N 2.77Å; G80-S84 PolarHBondContact O-OG 2.79Å; L81-S84 PolarHBondContact O-N 3.03Å; S84-S86 VanDerWaalsContact C-N 3.32Å; S84-G87 PolarHBondContact O-N 3.38Å; S84-L88 PolarHBondContact O-N 3.21Å
85L96.8Very high96.1Very high0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-66.1-35.1174.7-67.7174.3000111.9F23 I26 L35 L37 I62 L81 G87 L88 F89 F93F23-L85 HydrophobicContact CD2-CD2 4.45Å; F23-L85 HydrophobicContact CE2-CD2 4.13Å; I26-L85 HydrophobicContact CG2-CD2 4.47Å; L35-L85 HydrophobicContact CD1-CD1 4.25Å; L35-L85 HydrophobicContact CD2-CD1 4.11Å; L35-L85 HydrophobicContact CD2-CD2 4.33Å; L37-L85 HydrophobicContact CD2-CD1 4.37Å; L37-L85 HydrophobicContact CD2-CD2 4.23Å; I62-L85 HydrophobicContact CD1-CD1 4.09Å; L81-L85 HydrophobicContact CD1-CD1 3.87Å; L81-L85 HydrophobicContact CD1-CG 4.08Å; L81-L85 HydrophobicContact CG-CD1 3.88Å; L81-L85 HydrophobicContact CG-CG 4.42Å; L81-L85 WeakPolarHBondContact O-CB 3.26Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 3.44Å; L85-G87 VanDerWaalsContact C-N 3.33Å; L85-G87 PolarHBondContact O-N 3.31Å; L85-L88 PolarHBondContact O-N 3.21Å; L85-F89 HydrophobicContact CB-CD2 4.48Å; L85-F89 HydrophobicContact CD2-CD2 4.34Å; L85-F89 HydrophobicContact CD2-CE2 3.93Å; L85-F89 WeakPolarHBondContact O-CD2 3.27Å; L85-F89 PolarHBondContact O-N 2.58Å; L85-F93 HydrophobicContact CB-CD2 4.01Å
86S96Very high96.1Very high18 Ų1841.4 Ų41.413%0.12623%0.232CC..Hα-helixtrans-56.5-47.7174.5-171.70000111V82 H83 S84 C90 A91 S94V82-S86 WeakPolarHBondContact O-CB 3.46Å; V82-S86 PolarHBondContact O-N 2.89Å; H83-S86 VanDerWaalsContact O-CB 3.27Å; H83-S86 WeakPolarHBondContact O-CB 3.21Å; H83-S86 PolarHBondContact O-N 3.38Å; S84-S86 VanDerWaalsContact C-N 3.32Å; S86-C90 WeakPolarHBondContact O-CA 3.37Å; S86-C90 PolarHBondContact O-N 2.88Å; S86-A91 VanDerWaalsContact CA-O 3.25Å; S86-A91 WeakPolarHBondContact CA-O 3.38Å; S86-A91 WeakPolarHBondContact CB-O 3.39Å; S86-A91 PolarHBondContact O-N 3.42Å; S86-A91 PolarHBondContact OG-O 3.25Å; S86-S94 PolarHBondContact OG-N 3.32Å; S86-S94 PolarHBondContact OG-OG 2.91Å; S86-S94 VanDerWaalsContact OG-OG 3.13Å
87G94.5Very high96Very high60 Ų6039.4 Ų39.462%0.61923%0.225SC*.Hα-helixtrans-66.3-40.617500000113.5H83 S84 L85H83-G87 PolarHBondContact O-N 3.36Å; S84-G87 PolarHBondContact O-N 3.38Å; L85-G87 VanDerWaalsContact C-N 3.33Å; L85-G87 PolarHBondContact O-N 3.31Å
88L94.7Very high95.8Very high36 Ų3641.5 Ų41.519%0.18824%0.243CC..Hα-helixtrans-66.8-42.9-178-177.163.5000112.8A22 F23 I26 S84 L85 P140 L144A22-L88 HydrophobicContact CB-CD1 4.25Å; F23-L88 HydrophobicContact CB-CD2 4.09Å; F23-L88 HydrophobicContact CD2-CD2 3.71Å; F23-L88 HydrophobicContact CG-CD2 4.38Å; I26-L88 HydrophobicContact CD1-CB 4.47Å; I26-L88 HydrophobicContact CD1-CD2 4.14Å; S84-L88 PolarHBondContact O-N 3.21Å; L85-L88 PolarHBondContact O-N 3.21Å; L88-P140 WeakPolarHBondContact O-CB 3.08Å; L88-L144 HydrophobicContact CD2-CD2 4.41Å
89F94.9Very high95.7Very high2 Ų241.3 Ų41.31%0.00924%0.243CC..Hα-helixtrans-97-1.6-176.4-71.3-77.7000114.3L37 L85 A91 F93 N137 W141 L144 L172L37-F89 HydrophobicContact CD1-CE2 4.4Å; L37-F89 HydrophobicContact CD1-CZ 4.33Å; L37-F89 HydrophobicContact CD2-CD2 4.3Å; L37-F89 HydrophobicContact CD2-CE2 3.63Å; L37-F89 HydrophobicContact CD2-CZ 4.04Å; L85-F89 HydrophobicContact CB-CD2 4.48Å; L85-F89 HydrophobicContact CD2-CD2 4.34Å; L85-F89 HydrophobicContact CD2-CE2 3.93Å; L85-F89 WeakPolarHBondContact O-CD2 3.27Å; L85-F89 PolarHBondContact O-N 2.58Å; F89-A91 HydrophobicContact CB-CB 4.41Å; F89-A91 PolarHBondContact O-N 2.86Å; F89-F93 HydrophobicContact CB-CE2 3.9Å; F89-F93 HydrophobicContact CD2-CE2 4.06Å; F89-F93 HydrophobicContact CG-CE2 4.22Å; F89-N137 PolarHBondContact O-OD1 2.77Å; F89-W141 HydrophobicContact CE1-CB 4.38Å; F89-L144 HydrophobicContact CE1-CD1 3.7Å; F89-L144 HydrophobicContact CZ-CD1 3.56Å; F89-L172 HydrophobicContact CZ-CD1 3.91Å
90C94.7Very high95.6Very high77 Ų7737.2 Ų37.252%0.5223%0.23SC..THydrogen-bonded Turntrans55.832.8-173.5-54.70000113.2S86 N137S86-C90 WeakPolarHBondContact O-CA 3.37Å; S86-C90 PolarHBondContact O-N 2.88Å; C90-N137 PolarHBondContact O-OD1 2.85Å
91A94.7Very high95.6Very high4 Ų437.1 Ų37.13%0.03323%0.226CC..SBendtrans-113.2157.7-179.400000110.7L39 S86 F89 F93L39-A91 HydrophobicContact CD1-CB 3.99Å; L39-A91 HydrophobicContact CD2-CB 4.21Å; S86-A91 VanDerWaalsContact CA-O 3.25Å; S86-A91 WeakPolarHBondContact CA-O 3.38Å; S86-A91 WeakPolarHBondContact CB-O 3.39Å; S86-A91 PolarHBondContact O-N 3.42Å; S86-A91 PolarHBondContact OG-O 3.25Å; F89-A91 HydrophobicContact CB-CB 4.41Å; F89-A91 PolarHBondContact O-N 2.86Å; A91-F93 HydrophobicContact CB-CD1 4.43Å; A91-F93 HydrophobicContact CB-CD2 3.98Å; A91-F93 HydrophobicContact CB-CE1 4.29Å; A91-F93 HydrophobicContact CB-CE2 3.83Å; A91-F93 HydrophobicContact CB-CG 4.28Å; A91-F93 HydrophobicContact CB-CZ 3.99Å; A91-F93 PolarHBondContact O-N 3.18Å
92S94.3Very high95.6Very high36 Ų3637.3 Ų37.325%0.25223%0.227SC..G310 helixtrans-78.230.1-177.2-49.20000114S94 Q95 L128 E131S92-S94 PolarHBondContact O-N 2.83Å; S92-Q95 WeakPolarHBondContact O-CB 3.45Å; S92-Q95 WeakPolarHBondContact O-CG 3.5Å; S92-Q95 PolarHBondContact O-N 2.89Å; S92-L128 WeakPolarHBondContact O-CD1 3.36Å; S92-E131 VanDerWaalsContact CB-CD 3.45Å; S92-E131 WeakPolarHBondContact CB-OE1 3.23Å; S92-E131 WeakPolarHBondContact CB-OE2 3.19Å; S92-E131 PolarHBondContact N-OE1 3.27Å; S92-E131 PolarHBondContact OG-OE1 3.12Å; S92-E131 VanDerWaalsContact OG-OE1 3.1Å; S92-E131 PolarHBondContact OG-OE2 2.83Å
93F95.4Very high95.5Very high0 Ų038.3 Ų38.30%023%0.234CC..G310 helixtrans-54.5-31.8-179.5-62.6-46.7000112.5L39 A60 I62 V82 L85 F89 A91 Q95 I96L39-F93 HydrophobicContact CD1-CE1 4.47Å; L39-F93 HydrophobicContact CD1-CZ 3.8Å; L39-F93 HydrophobicContact CD2-CE1 3.81Å; L39-F93 HydrophobicContact CD2-CZ 3.99Å; L39-F93 HydrophobicContact CG-CE1 4.07Å; L39-F93 HydrophobicContact CG-CZ 3.8Å; A60-F93 HydrophobicContact CB-CD1 3.93Å; A60-F93 HydrophobicContact CB-CE1 3.66Å; I62-F93 HydrophobicContact CD1-CB 3.87Å; I62-F93 HydrophobicContact CD1-CD1 3.62Å; I62-F93 HydrophobicContact CD1-CD2 4Å; I62-F93 HydrophobicContact CD1-CE1 4.06Å; I62-F93 HydrophobicContact CD1-CE2 4.41Å; I62-F93 HydrophobicContact CD1-CG 3.59Å; I62-F93 HydrophobicContact CD1-CZ 4.44Å; I62-F93 HydrophobicContact CG1-CD1 4.1Å; I62-F93 HydrophobicContact CG1-CE1 4.17Å; V82-F93 HydrophobicContact CG1-CB 4.08Å; V82-F93 WeakPolarHBondContact CG1-O 3.13Å; L85-F93 HydrophobicContact CB-CD2 4.01Å; F89-F93 HydrophobicContact CB-CE2 3.9Å; F89-F93 HydrophobicContact CD2-CE2 4.06Å; F89-F93 HydrophobicContact CG-CE2 4.22Å; A91-F93 HydrophobicContact CB-CD1 4.43Å; A91-F93 HydrophobicContact CB-CD2 3.98Å; A91-F93 HydrophobicContact CB-CE1 4.29Å; A91-F93 HydrophobicContact CB-CE2 3.83Å; A91-F93 HydrophobicContact CB-CG 4.28Å; A91-F93 HydrophobicContact CB-CZ 3.99Å; A91-F93 PolarHBondContact O-N 3.18Å; F93-Q95 PolarHBondContact O-N 2.72Å; F93-I96 HydrophobicContact CD1-CD1 4.37Å; F93-I96 VanDerWaalsContact O-CB 3.27Å; F93-I96 WeakPolarHBondContact O-CB 3.38Å; F93-I96 WeakPolarHBondContact O-CG1 3.42Å; F93-I96 PolarHBondContact O-N 2.99Å
94S94.1Very high95.5Very high59 Ų5932.9 Ų32.941%0.41321%0.21SC..G310 helixtrans-54.2-17.1174.751.90000114.9S86 S92 I96S86-S94 PolarHBondContact OG-N 3.32Å; S86-S94 PolarHBondContact OG-OG 2.91Å; S86-S94 VanDerWaalsContact OG-OG 3.13Å; S92-S94 PolarHBondContact O-N 2.83Å; S94-I96 VanDerWaalsContact C-N 3.3Å
95Q93.8Very high95.4Very high111 Ų11133.5 Ų33.552%0.51921%0.21SC..G310 helixtrans-77.9-10.4171.6-60.9176.1-100113.7S92 F93 D97 L128S92-Q95 WeakPolarHBondContact O-CB 3.45Å; S92-Q95 WeakPolarHBondContact O-CG 3.5Å; S92-Q95 PolarHBondContact O-N 2.89Å; F93-Q95 PolarHBondContact O-N 2.72Å; Q95-D97 PolarHBondContact O-N 2.74Å; Q95-L128 HydrophobicContact CB-CD1 3.83Å; Q95-L128 HydrophobicContact CB-CD2 4.33Å
96I95.9Very high95.3Very high3 Ų334.6 Ų34.62%0.01521%0.214CC..  trans-72.182.2170.2-59.3171.3000108.2I62 W78 V82 F93 S94 H100 L128I62-I96 HydrophobicContact CB-CD1 4.41Å; I62-I96 HydrophobicContact CD1-CD1 4.03Å; I62-I96 HydrophobicContact CG1-CD1 4.11Å; W78-I96 HydrophobicContact CZ2-CG2 3.62Å; V82-I96 HydrophobicContact CG1-CB 3.96Å; F93-I96 HydrophobicContact CD1-CD1 4.37Å; F93-I96 VanDerWaalsContact O-CB 3.27Å; F93-I96 WeakPolarHBondContact O-CB 3.38Å; F93-I96 WeakPolarHBondContact O-CG1 3.42Å; F93-I96 PolarHBondContact O-N 2.99Å; S94-I96 VanDerWaalsContact C-N 3.3Å; I96-H100 HydrophobicContact CG2-CB 4.48Å; I96-L128 HydrophobicContact CD1-CD1 4.42Å; I96-L128 HydrophobicContact CD1-CG 4.37Å; I96-L128 HydrophobicContact CG1-CD1 3.69Å; I96-L128 HydrophobicContact CG1-CD2 4.11Å; I96-L128 HydrophobicContact CG1-CG 3.59Å
97D94.5Very high95.2Very high71 Ų7138.1 Ų38.138%0.3823%0.227SC..  trans-90.1-170172.8681.2000111.3Q95 A99 H100 T101Q95-D97 PolarHBondContact O-N 2.74Å; D97-A99 PolarHBondContact O-N 3.04Å; D97-A99 WeakPolarHBondContact OD1-CA 3.41Å; D97-A99 VanDerWaalsContact OD1-CB 3.32Å; D97-A99 WeakPolarHBondContact OD1-CB 3.29Å; D97-A99 PolarHBondContact OD1-N 2.81Å; D97-H100 PolarHBondContact O-N 2.77Å; D97-H100 VanDerWaalsContact O-N 3.17Å; D97-H100 IonicContact OD1-CE1 3.38Å; D97-H100 IonicContact OD1-CG 3.21Å; D97-H100 PolarHBondContact OD1-N 2.82Å; D97-H100 IonicContact OD1-ND1 2.88Å; D97-H100 PolarHBondContact OD1-ND1 3.44Å; D97-T101 WeakPolarHBondContact O-CB 3.32Å; D97-T101 PolarHBondContact O-N 3.34Å; D97-T101 PolarHBondContact O-OG1 3Å
98S94.6Very high95.2Very high69 Ų6935.3 Ų35.348%0.48320%0.198SC..G310 helixtrans-62.5-28.2177.464.30000112.8H100 T101 S352S98-H100 PolarHBondContact O-N 3.31Å; S98-T101 PolarHBondContact O-N 3.01Å; S98-S352 CarbonylContact C-O 3.5Å; S98-S352 VanDerWaalsContact CB-O 3.27Å; S98-S352 WeakPolarHBondContact CB-O 3.41Å; S98-S352 VanDerWaalsContact O-O 3.06Å; S98-S352 PolarHBondContact OG-O 2.99Å
99A95.2Very high95.1Very high3 Ų336.7 Ų36.73%0.02520%0.203CC..G310 helixtrans-72.5-14.4179.600000113D97 S352 P354D97-A99 PolarHBondContact O-N 3.04Å; D97-A99 WeakPolarHBondContact OD1-CA 3.41Å; D97-A99 VanDerWaalsContact OD1-CB 3.32Å; D97-A99 WeakPolarHBondContact OD1-CB 3.29Å; D97-A99 PolarHBondContact OD1-N 2.81Å; A99-S352 WeakPolarHBondContact CA-O 3.32Å; A99-S352 PolarHBondContact N-O 2.96Å; A99-S352 VanDerWaalsContact N-O 3.16Å; A99-P354 WeakPolarHBondContact O-CD 3.39Å
100H96.5Very high94.7Very high57 Ų5742.1 Ų42.126%0.26423%0.227SC..G310 helixtrans-117.89177.3-57.391.8000113.4I96 D97 S98 G126 V127 L128I96-H100 HydrophobicContact CG2-CB 4.48Å; D97-H100 PolarHBondContact O-N 2.77Å; D97-H100 VanDerWaalsContact O-N 3.17Å; D97-H100 IonicContact OD1-CE1 3.38Å; D97-H100 IonicContact OD1-CG 3.21Å; D97-H100 PolarHBondContact OD1-N 2.82Å; D97-H100 IonicContact OD1-ND1 2.88Å; D97-H100 PolarHBondContact OD1-ND1 3.44Å; S98-H100 PolarHBondContact O-N 3.31Å; H100-G126 WeakPolarHBondContact O-CA 3.13Å; H100-V127 PolarHBondContact O-N 2.65Å; H100-L128 HydrophobicContact CB-CD2 4.33Å
101T97.2Very high94.4Very high13 Ų1344.7 Ų44.78%0.0824%0.236CC..EExtended strand (participates in β ladder)trans-113.3136.1-177.4-58.60000111.1W78 D97 S98 R124 Y125W78-T101 HydrophobicContact CZ2-CG2 4.18Å; W78-T101 VanDerWaalsContact NE1-CG2 3.34Å; W78-T101 PolarHBondContact NE1-OG1 3.39Å; D97-T101 WeakPolarHBondContact O-CB 3.32Å; D97-T101 PolarHBondContact O-N 3.34Å; D97-T101 PolarHBondContact O-OG1 3Å; S98-T101 PolarHBondContact O-N 3.01Å; T101-R124 HydrophobicContact CG2-CB 4.12Å; T101-R124 HydrophobicContact CG2-CG 4.44Å; T101-Y125 CarbonylContact C-O 3.54Å; T101-Y125 WeakPolarHBondContact CA-O 3.46Å
102V97Very high94Very high3 Ų345.7 Ų45.72%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-130.7167.2173.4-58.50000111Y125 I316 P354 Y356V102-Y125 HydrophobicContact CG2-CD1 3.95Å; V102-Y125 HydrophobicContact CG2-CG 4.47Å; V102-Y125 PolarHBondContact N-O 2.89Å; V102-Y125 PolarHBondContact O-N 2.86Å; V102-I316 HydrophobicContact CG1-CD1 4.38Å; V102-I316 HydrophobicContact CG1-CG1 4.19Å; V102-I316 HydrophobicContact CG1-CG2 4.21Å; V102-I316 HydrophobicContact CG2-CD1 3.62Å; V102-I316 HydrophobicContact CG2-CG1 3.96Å; V102-P354 HydrophobicContact CG1-CG 3.56Å; V102-Y356 HydrophobicContact CB-CD1 4.11Å; V102-Y356 HydrophobicContact CB-CD2 4.17Å; V102-Y356 HydrophobicContact CB-CE1 4.35Å; V102-Y356 HydrophobicContact CB-CE2 4.4Å; V102-Y356 HydrophobicContact CB-CG 4Å; V102-Y356 HydrophobicContact CG1-CD1 4.48Å; V102-Y356 HydrophobicContact CG1-CD2 4.03Å; V102-Y356 HydrophobicContact CG1-CG 3.9Å; V102-Y356 HydrophobicContact CG2-CD1 4.49Å; V102-Y356 HydrophobicContact CG2-CD2 4.02Å; V102-Y356 HydrophobicContact CG2-CE1 4.32Å; V102-Y356 HydrophobicContact CG2-CE2 3.84Å; V102-Y356 HydrophobicContact CG2-CG 4.33Å
103S96.6Very high93.9Very high24 Ų2449.2 Ų49.217%0.16826%0.259CS..  trans-123.7103.4174.6-71.20000109.6M105 S123 R124S103-M105 PolarHBondContact O-N 3.11Å; S103-S123 WeakPolarHBondContact CB-O 3.34Å; S103-S123 PolarHBondContact OG-O 2.94Å; S103-R124 PolarHBondContact OG-NH1 3.16Å
104P96.1Very high93.7Very high11 Ų1150.9 Ų50.97%0.07127%0.267CS..  trans-56.3120178.2-25.834.4000112.3Y63 W120 Y356 E358Y63-P104 HydrophobicContact CE2-CG 4.32Å; P104-W120 WeakPolarHBondContact O-CA 3.38Å; P104-W120 WeakPolarHBondContact O-CB 3.34Å; P104-Y356 WeakPolarHBondContact CA-OH 3.26Å; P104-E358 VanDerWaalsContact CA-OE1 3.24Å; P104-E358 WeakPolarHBondContact CA-OE1 3.37Å
105M94.8Very high93.6Very high46 Ų4649.6 Ų49.623%0.22726%0.258CS..  trans-93.2-39.7-171.4-174.1179.6176.200112.2S103 S116 S117 W120 H344 E358S103-M105 PolarHBondContact O-N 3.11Å; M105-S116 CarbonylContact O-C 3.52Å; M105-S116 WeakPolarHBondContact O-CA 3.42Å; M105-S117 WeakPolarHBondContact O-CB 3.46Å; M105-S117 PolarHBondContact O-N 2.81Å; M105-W120 HydrophobicContact CG-CD2 4.3Å; M105-W120 HydrophobicContact CG-CG 4.3Å; M105-H344 PolarHBondContact SD-CE1 3.33Å; M105-H344 PolarHBondContact SD-ND1 3.38Å; M105-E358 WeakPolarHBondContact CA-OE2 3.49Å; M105-E358 WeakPolarHBondContact CB-OE2 3.42Å; M105-E358 PolarHBondContact N-OE1 2.68Å; M105-E358 VanDerWaalsContact N-OE1 3.07Å; M105-E358 PolarHBondContact N-OE2 3.42Å
106Y96.4Very high93.5Very high24 Ų2446.9 Ų46.99%0.09425%0.252CS..EExtended strand (participates in β ladder)trans-90149.5-178.6-69-39.7000112.7I114 S115 L312 R314 K342 H344 E358 P360Y106-I114 HydrophobicContact CD1-CG2 4.36Å; Y106-I114 HydrophobicContact CD2-CG2 4.45Å; Y106-I114 HydrophobicContact CG-CG2 3.99Å; Y106-S115 CarbonylContact C-O 3.53Å; Y106-S115 WeakPolarHBondContact CA-O 3.28Å; Y106-L312 HydrophobicContact CD2-CD1 4.32Å; Y106-R314 PolarHBondContact O-NH2 3.15Å; Y106-K342 WeakPolarHBondContact CE2-O 2.88Å; Y106-K342 PolarHBondContact OH-O 2.97Å; Y106-H344 HydrophobicContact CD2-CB 4.02Å; Y106-H344 HydrophobicContact CE2-CB 3.39Å; Y106-E358 WeakPolarHBondContact CB-OE2 3.42Å; Y106-E358 HydrophobicContact CD2-CB 3.74Å; Y106-E358 HydrophobicContact CE2-CB 4.38Å; Y106-E358 PolarHBondContact N-OE2 2.86Å; Y106-P360 HydrophobicContact CD2-CG 4.25Å; Y106-P360 HydrophobicContact CE2-CG 4.21Å
107K93.5Very high93.1Very high91 Ų9147.4 Ų47.440%0.39626%0.256SS..EExtended strand (participates in β ladder)trans-123.8131.1171-178.9173.2-177.7171.10108.8S115K107-S115 PolarHBondContact N-O 3.08Å; K107-S115 PolarHBondContact O-N 2.85Å
108L93.7Very high92.6Very high1 Ų153 Ų531%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-84.1127.9171179.665.6000109.2I114 E401 Y403 P430L108-I114 HydrophobicContact CD1-CD1 3.92Å; L108-I114 HydrophobicContact CD1-CG1 3.46Å; L108-I114 VanDerWaalsContact CD1-CG1 3.46Å; L108-E401 HydrophobicContact CD2-CG 4.34Å; L108-E401 WeakPolarHBondContact CD2-O 3.26Å; L108-Y403 HydrophobicContact CD2-CD2 3.88Å; L108-Y403 HydrophobicContact CD2-CE2 4.22Å; L108-Y403 HydrophobicContact CG-CD2 3.97Å; L108-Y403 HydrophobicContact CG-CE2 3.96Å; L108-P430 HydrophobicContact CD2-CB 4.32Å
109H92.3Very high92.2Very high65 Ų6553.8 Ų53.830%0.30127%0.273SS..  trans-96.9159.9174-63.7-86.8000110.9D111 G112 H113 S115 Y403H109-D111 WeakPolarHBondContact CB-OD1 3.23Å; H109-D111 PolarHBondContact O-N 3.47Å; H109-G112 WeakPolarHBondContact O-CA 3.22Å; H109-G112 PolarHBondContact O-N 2.75Å; H109-H113 WeakPolarHBondContact CB-O 3.25Å; H109-H113 AromaticContact CD2-ND1 3.98Å; H109-H113 PolarHBondContact CD2-O 2.96Å; H109-H113 VanDerWaalsContact CD2-O 3.31Å; H109-H113 PolarHBondContact N-O 2.94Å; H109-S115 PolarHBondContact NE2-OG 2.81Å; H109-Y403 WeakPolarHBondContact O-CD2 3.41Å; H109-Y403 VanDerWaalsContact O-CE2 3.32Å; H109-Y403 WeakPolarHBondContact O-CE2 3.28Å
110K87.9Confident91.9Very high117 Ų11757.8 Ų57.851%0.50929%0.288SS..THydrogen-bonded Turntrans-63.9-26.6-174.4-173.1172.8179.8172.20113.8G112 Y403K110-G112 PolarHBondContact O-N 2.88Å; K110-Y403 VanDerWaalsContact CA-CE2 3.49Å; K110-Y403 HydrophobicContact CB-CD1 4.49Å; K110-Y403 HydrophobicContact CB-CE1 4.18Å; K110-Y403 HydrophobicContact CB-CE2 4.27Å; K110-Y403 HydrophobicContact CG-CD1 4.24Å; K110-Y403 HydrophobicContact CG-CE1 4.28Å
111D87.2Confident91.7Very high130 Ų13060.9 Ų60.970%0.69530%0.3SS*.THydrogen-bonded Turntrans-76.7-0.9173.363.4-11.9000113.2H109 H113H109-D111 WeakPolarHBondContact CB-OD1 3.23Å; H109-D111 PolarHBondContact O-N 3.47Å; D111-H113 VanDerWaalsContact C-N 3.27Å; D111-H113 VanDerWaalsContact OD1-CB 3.28Å; D111-H113 WeakPolarHBondContact OD1-CB 3.11Å; D111-H113 PolarHBondContact OD1-N 2.77Å
112G87.7Confident91.6Very high26 Ų2660.8 Ų60.827%0.26830%0.299SS..SBendtrans83.8-2.8-17600000113.8H109 K110 A310H109-G112 WeakPolarHBondContact O-CA 3.22Å; H109-G112 PolarHBondContact O-N 2.75Å; K110-G112 PolarHBondContact O-N 2.88Å; G112-A310 WeakPolarHBondContact O-CB 3.45Å
113H91.2Very high91.6Very high109 Ų10960.7 Ų60.751%0.50530%0.299SS..  trans-69.1139.7174.4-179.1-103000110.2H109 D111H109-H113 WeakPolarHBondContact CB-O 3.25Å; H109-H113 AromaticContact CD2-ND1 3.98Å; H109-H113 PolarHBondContact CD2-O 2.96Å; H109-H113 VanDerWaalsContact CD2-O 3.31Å; H109-H113 PolarHBondContact N-O 2.94Å; D111-H113 VanDerWaalsContact C-N 3.27Å; D111-H113 VanDerWaalsContact OD1-CB 3.28Å; D111-H113 WeakPolarHBondContact OD1-CB 3.11Å; D111-H113 PolarHBondContact OD1-N 2.77Å
114I92.3Very high91.6Very high35 Ų3560.1 Ų60.118%0.17929%0.293CS..EExtended strand (participates in β ladder)trans-117.4119.2177.8-64.7164.3000108.2Y106 L108 L312 P360Y106-I114 HydrophobicContact CD1-CG2 4.36Å; Y106-I114 HydrophobicContact CD2-CG2 4.45Å; Y106-I114 HydrophobicContact CG-CG2 3.99Å; L108-I114 HydrophobicContact CD1-CD1 3.92Å; L108-I114 HydrophobicContact CD1-CG1 3.46Å; L108-I114 VanDerWaalsContact CD1-CG1 3.46Å; I114-L312 HydrophobicContact CD1-CB 4.32Å; I114-L312 HydrophobicContact CG2-CD1 4.38Å; I114-P360 HydrophobicContact CB-CB 4.46Å; I114-P360 HydrophobicContact CB-CG 4.45Å; I114-P360 HydrophobicContact CD1-CB 3.54Å; I114-P360 HydrophobicContact CD1-CG 4.19Å; I114-P360 HydrophobicContact CG2-CB 4.47Å; I114-P360 HydrophobicContact CG2-CG 3.98Å
115S92.1Very high91.7Very high32 Ų3261 Ų6122%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-122.4164.3178.977.90000111Y106 K107 H109 S117Y106-S115 CarbonylContact C-O 3.53Å; Y106-S115 WeakPolarHBondContact CA-O 3.28Å; K107-S115 PolarHBondContact N-O 3.08Å; K107-S115 PolarHBondContact O-N 2.85Å; H109-S115 PolarHBondContact NE2-OG 2.81Å; S115-S117 PolarHBondContact O-N 2.86Å
116S91.1Very high91.8Very high54 Ų5458.8 Ų58.838%0.37828%0.284SS..EExtended strand (participates in β ladder)trans-59.3128.2161.654.30000108.8M105M105-S116 CarbonylContact O-C 3.52Å; M105-S116 WeakPolarHBondContact O-CA 3.42Å
117S86.4Confident91.8Very high15 Ų1557.9 Ų57.911%0.10528%0.281CS..  trans-61.5153.4164.2-175.20000108.7M105 S115 E119M105-S117 WeakPolarHBondContact O-CB 3.46Å; M105-S117 PolarHBondContact O-N 2.81Å; S115-S117 PolarHBondContact O-N 2.86Å; S117-E119 PolarHBondContact OG-N 3.04Å; S117-E119 VanDerWaalsContact OG-N 3.12Å
118F84.8Confident91.9Very high188 Ų18854 Ų5483%0.82527%0.265SS*.SBendtrans-88.3-23.4165.2-66.2-77.1000111.1W120F118-W120 VanDerWaalsContact C-N 3.33Å; F118-W120 PolarHBondContact O-N 2.84Å
119E86.6Confident91.9Very high86 Ų8654.6 Ų54.640%0.40227%0.268SS..G310 helixtrans-81.2-12.1-175.2-64.7172.4149.500112.9L65 S117 K121 N122 S123L65-E119 HydrophobicContact CD1-CB 3.81Å; L65-E119 HydrophobicContact CD1-CG 4.4Å; S117-E119 PolarHBondContact OG-N 3.04Å; S117-E119 VanDerWaalsContact OG-N 3.12Å; E119-K121 PolarHBondContact O-N 3.38Å; E119-K121 VanDerWaalsContact O-N 3.14Å; E119-N122 CarbonylContact O-C 3.6Å; E119-N122 WeakPolarHBondContact O-CA 3.11Å; E119-N122 PolarHBondContact O-N 2.87Å; E119-S123 PolarHBondContact O-N 3.06Å; E119-S123 VanDerWaalsContact O-N 3.09Å
120W89.1Confident91.9Very high86 Ų8655 Ų5533%0.32628%0.279SS..G310 helixtrans-54.5-39.1-174.570.8-77.1000113.2P104 M105 F118 N122 S123P104-W120 WeakPolarHBondContact O-CA 3.38Å; P104-W120 WeakPolarHBondContact O-CB 3.34Å; M105-W120 HydrophobicContact CG-CD2 4.3Å; M105-W120 HydrophobicContact CG-CG 4.3Å; F118-W120 VanDerWaalsContact C-N 3.33Å; F118-W120 PolarHBondContact O-N 2.84Å; W120-N122 PolarHBondContact O-N 2.86Å; W120-N122 VanDerWaalsContact O-N 3.15Å; W120-S123 WeakPolarHBondContact CA-OG 3.35Å; W120-S123 PolarHBondContact O-N 3.37Å; W120-S123 PolarHBondContact O-OG 3.11Å
121K90.9Very high92.2Very high122 Ų12251.1 Ų51.153%0.5326%0.262SS..G310 helixtrans-58.3-29.3177.9-65.9-175.8179.8177.30112E119 R124E119-K121 PolarHBondContact O-N 3.38Å; E119-K121 VanDerWaalsContact O-N 3.14Å; K121-R124 PolarHBondContact O-NH1 2.85Å
122N96.1Very high92.5Very high11 Ų1146.5 Ų46.56%0.05924%0.239CC..G310 helixtrans-104.95.5-178.8-45.3-19.1000113.3L65 F66 N68 I74 E119 W120L65-N122 HydrophobicContact CD1-CB 4.09Å; F66-N122 HydrophobicContact CB-CB 4.49Å; F66-N122 VanDerWaalsContact CD2-O 3.31Å; F66-N122 WeakPolarHBondContact CD2-O 3.27Å; F66-N122 PolarHBondContact N-O 2.88Å; F66-N122 WeakPolarHBondContact O-CB 3.44Å; N68-N122 PolarHBondContact OD1-ND2 2.67Å; I74-N122 HydrophobicContact CD1-CB 3.72Å; I74-N122 VanDerWaalsContact CD1-OD1 3.22Å; I74-N122 WeakPolarHBondContact CD1-OD1 3.44Å; E119-N122 CarbonylContact O-C 3.6Å; E119-N122 WeakPolarHBondContact O-CA 3.11Å; E119-N122 PolarHBondContact O-N 2.87Å; W120-N122 PolarHBondContact O-N 2.86Å; W120-N122 VanDerWaalsContact O-N 3.15Å
123S96.6Very high92.8Very high1 Ų145.3 Ų45.31%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-102.3140.6176.8740000110.5A64 S103 E119 W120A64-S123 CarbonylContact O-C 3.59Å; A64-S123 VanDerWaalsContact O-CA 3.3Å; A64-S123 WeakPolarHBondContact O-CA 3.36Å; S103-S123 WeakPolarHBondContact CB-O 3.34Å; S103-S123 PolarHBondContact OG-O 2.94Å; E119-S123 PolarHBondContact O-N 3.06Å; E119-S123 VanDerWaalsContact O-N 3.09Å; W120-S123 WeakPolarHBondContact CA-OG 3.35Å; W120-S123 PolarHBondContact O-N 3.37Å; W120-S123 PolarHBondContact O-OG 3.11Å
124R97.5Very high92.8Very high13 Ų1342.2 Ų42.25%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-131.5135.6170.8-63.3-65.7179.3-77.9-0.2108.4Y63 A64 F66 I74 D75 W78 T101 S103 K121Y63-R124 CarbonylContact C-O 3.44Å; Y63-R124 WeakPolarHBondContact CA-O 3.43Å; A64-R124 PolarHBondContact N-O 2.83Å; A64-R124 PolarHBondContact O-N 3.1Å; F66-R124 HydrophobicContact CE2-CB 4.31Å; F66-R124 HydrophobicContact CE2-CG 4.12Å; I74-R124 HydrophobicContact CG2-CG 4.28Å; D75-R124 IonicContact OD1-CZ 3.93Å; D75-R124 IonicContact OD1-NE 2.67Å; D75-R124 PolarHBondContact OD1-NE 2.9Å; D75-R124 IonicContact OD1-NH2 2.78Å; D75-R124 PolarHBondContact OD1-NH2 3.07Å; W78-R124 HydrophobicContact CB-CG 4.04Å; W78-R124 HydrophobicContact CD2-CB 3.57Å; W78-R124 HydrophobicContact CD2-CG 4.06Å; W78-R124 HydrophobicContact CE3-CB 3.67Å; W78-R124 HydrophobicContact CE3-CG 4.41Å; W78-R124 HydrophobicContact CG-CB 3.96Å; W78-R124 HydrophobicContact CG-CG 3.88Å; W78-R124 HydrophobicContact CH2-CB 4.3Å; W78-R124 HydrophobicContact CZ2-CB 4.21Å; W78-R124 HydrophobicContact CZ3-CB 4.06Å; T101-R124 HydrophobicContact CG2-CB 4.12Å; T101-R124 HydrophobicContact CG2-CG 4.44Å; S103-R124 PolarHBondContact OG-NH1 3.16Å; K121-R124 PolarHBondContact O-NH1 2.85Å
125Y97.6Very high92.7Very high28 Ų2844.3 Ų44.311%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-130.8127.3176.3-179-130000108.9I62 Y63 T101 V102 V127 I316I62-Y125 CarbonylContact O-C 3.55Å; I62-Y125 WeakPolarHBondContact O-CA 3.29Å; I62-Y125 VanDerWaalsContact O-CD2 3.28Å; I62-Y125 WeakPolarHBondContact O-CD2 3.5Å; Y63-Y125 HydrophobicContact CD2-CD2 4.36Å; T101-Y125 CarbonylContact C-O 3.54Å; T101-Y125 WeakPolarHBondContact CA-O 3.46Å; V102-Y125 HydrophobicContact CG2-CD1 3.95Å; V102-Y125 HydrophobicContact CG2-CG 4.47Å; V102-Y125 PolarHBondContact N-O 2.89Å; V102-Y125 PolarHBondContact O-N 2.86Å; Y125-V127 HydrophobicContact CD1-CG2 4.39Å; Y125-V127 HydrophobicContact CE1-CG2 3.62Å; Y125-V127 HydrophobicContact CE2-CG2 3.86Å; Y125-V127 VanDerWaalsContact OH-CG2 3.28Å; Y125-V127 WeakPolarHBondContact OH-CG2 3.4Å; Y125-I316 HydrophobicContact CD1-CD1 3.55Å; Y125-I316 HydrophobicContact CE1-CD1 3.49Å; Y125-I316 VanDerWaalsContact CE1-CD1 3.49Å
126G97.1Very high92.7Very high0 Ų047.3 Ų47.30%024%0.242CC..EExtended strand (participates in β ladder)trans-136.1147.2177.100000112.6S61 I62 H100S61-G126 CarbonylContact C-O 3.52Å; S61-G126 WeakPolarHBondContact CA-O 3.32Å; I62-G126 PolarHBondContact N-O 2.85Å; I62-G126 PolarHBondContact O-N 2.86Å; H100-G126 WeakPolarHBondContact O-CA 3.13Å
127V96.1Very high92.9Very high5 Ų544.8 Ų44.83%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-139.5130.5-173.8-1740000110.3A60 H100 Y125 I316 P396A60-V127 CarbonylContact O-C 3.59Å; A60-V127 VanDerWaalsContact O-CA 3.28Å; A60-V127 WeakPolarHBondContact O-CA 3.33Å; A60-V127 WeakPolarHBondContact O-CG1 3.39Å; H100-V127 PolarHBondContact O-N 2.65Å; Y125-V127 HydrophobicContact CD1-CG2 4.39Å; Y125-V127 HydrophobicContact CE1-CG2 3.62Å; Y125-V127 HydrophobicContact CE2-CG2 3.86Å; Y125-V127 VanDerWaalsContact OH-CG2 3.28Å; Y125-V127 WeakPolarHBondContact OH-CG2 3.4Å; V127-I316 HydrophobicContact CG2-CD1 4.08Å; V127-P396 HydrophobicContact CB-CB 4.38Å; V127-P396 HydrophobicContact CG1-CB 4.14Å
128L95.9Very high93.2Very high11 Ų1144.3 Ų44.36%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-116.995.7168.7-56.8170.2000108.4G59 A60 S92 Q95 I96 H100 S130 E131G59-L128 WeakPolarHBondContact CA-O 3.48Å; A60-L128 HydrophobicContact CB-CB 4.16Å; A60-L128 PolarHBondContact N-O 3.46Å; A60-L128 PolarHBondContact O-N 3.4Å; S92-L128 WeakPolarHBondContact O-CD1 3.36Å; Q95-L128 HydrophobicContact CB-CD1 3.83Å; Q95-L128 HydrophobicContact CB-CD2 4.33Å; I96-L128 HydrophobicContact CD1-CD1 4.42Å; I96-L128 HydrophobicContact CD1-CG 4.37Å; I96-L128 HydrophobicContact CG1-CD1 3.69Å; I96-L128 HydrophobicContact CG1-CD2 4.11Å; I96-L128 HydrophobicContact CG1-CG 3.59Å; H100-L128 HydrophobicContact CB-CD2 4.33Å; L128-S130 PolarHBondContact O-N 3.22Å; L128-E131 HydrophobicContact CB-CB 3.8Å; L128-E131 HydrophobicContact CD1-CB 4.33Å; L128-E131 PolarHBondContact O-N 2.82Å
129P94.1Very high93.5Very high12 Ų1238.9 Ų38.98%0.07820%0.202CC..THydrogen-bonded Turntrans-65.4-23.4-17527-36000113.2R394 P396 Q437P129-R394 HydrophobicContact CB-CB 4.02Å; P129-R394 HydrophobicContact CG-CB 4.24Å; P129-R394 WeakPolarHBondContact CG-O 3.36Å; P129-P396 HydrophobicContact CG-CG 4.33Å; P129-Q437 VanDerWaalsContact CB-NE2 3.28Å
130S92Very high93.7Very high74 Ų7435.6 Ų35.652%0.51719%0.189SC..THydrogen-bonded Turntrans-83.9-18.4178.9-59.80000113.8L128 T132L128-S130 PolarHBondContact O-N 3.22Å; S130-T132 PolarHBondContact O-N 3.06Å
131E94.1Very high93.8Very high36 Ų3631.7 Ų31.717%0.16817%0.174CC..  trans-86.486.7-179.5-177.168.9-177.700109.7L39 G59 A60 S92 L128L39-E131 HydrophobicContact CD2-CG 4.26Å; G59-E131 CarbonylContact C-O 3.53Å; G59-E131 WeakPolarHBondContact CA-O 3.49Å; A60-E131 HydrophobicContact CB-CB 3.8Å; A60-E131 HydrophobicContact CB-CG 3.82Å; A60-E131 PolarHBondContact N-O 3.02Å; S92-E131 VanDerWaalsContact CB-CD 3.45Å; S92-E131 WeakPolarHBondContact CB-OE1 3.23Å; S92-E131 WeakPolarHBondContact CB-OE2 3.19Å; S92-E131 PolarHBondContact N-OE1 3.27Å; S92-E131 PolarHBondContact OG-OE1 3.12Å; S92-E131 VanDerWaalsContact OG-OE1 3.1Å; S92-E131 PolarHBondContact OG-OE2 2.83Å; L128-E131 HydrophobicContact CB-CB 3.8Å; L128-E131 HydrophobicContact CD1-CB 4.33Å; L128-E131 PolarHBondContact O-N 2.82Å
132T92.7Very high93.8Very high32 Ų3226.9 Ų26.920%0.19615%0.153CC..  trans-83.6168.9179.9550000112.2S130 C134S130-T132 PolarHBondContact O-N 3.06Å; T132-C134 PolarHBondContact O-N 3.18Å
133V93.8Very high93.4Very high2 Ų233.5 Ų33.51%0.01218%0.181CC..  trans-67.6132.3173.765.30000111.4L39 Q41 N137 Y163 S168 L170L39-V133 HydrophobicContact CB-CB 3.93Å; L39-V133 HydrophobicContact CB-CG2 4.17Å; Q41-V133 HydrophobicContact CB-CG1 3.63Å; V133-N137 HydrophobicContact CG2-CB 4.29Å; V133-Y163 HydrophobicContact CB-CE1 4.22Å; V133-Y163 HydrophobicContact CG1-CD1 4.28Å; V133-Y163 HydrophobicContact CG1-CE1 3.77Å; V133-Y163 HydrophobicContact CG2-CE1 3.57Å; V133-Y163 WeakPolarHBondContact CG2-OH 3.48Å; V133-S168 WeakPolarHBondContact CG1-O 3.38Å; V133-S168 VanDerWaalsContact CG1-OG 3.3Å; V133-S168 WeakPolarHBondContact CG1-OG 3.17Å; V133-L170 HydrophobicContact CG2-CD1 3.65Å; V133-L170 HydrophobicContact CG2-CG 3.89Å
134C91.7Very high93Very high43 Ų4333.8 Ų33.829%0.29118%0.183SC..  trans-118.1170.5177.1-63.40000111.9T132 E136 N137 Y163T132-C134 PolarHBondContact O-N 3.18Å; C134-E136 VanDerWaalsContact C-N 3.31Å; C134-E136 HydrophobicContact CB-CG 4.35Å; C134-E136 WeakPolarHBondContact CB-OE1 3.41Å; C134-E136 VanDerWaalsContact CB-OE2 3.23Å; C134-E136 WeakPolarHBondContact CB-OE2 3.37Å; C134-E136 PolarHBondContact O-N 3.02Å; C134-N137 PolarHBondContact N-ND2 3.17Å; C134-N137 VanDerWaalsContact N-ND2 3.17Å; C134-N137 WeakPolarHBondContact O-CB 3.4Å; C134-N137 PolarHBondContact O-N 3.21Å; C134-Y163 VanDerWaalsContact O-CZ 3.28Å; C134-Y163 PolarHBondContact O-OH 3.32Å; C134-Y163 VanDerWaalsContact O-OH 3.08Å
135T91.2Very high92.5Very high79 Ų7933.5 Ų33.549%0.48518%0.182SC..Hα-helixtrans-62.2-36.4-173.855.90000114.1N137 L138 Y163T135-N137 VanDerWaalsContact C-N 3.3Å; T135-N137 PolarHBondContact O-N 2.97Å; T135-L138 PolarHBondContact O-N 2.9Å; T135-Y163 HydrophobicContact CG2-CD2 3.74Å; T135-Y163 HydrophobicContact CG2-CE2 4.34Å; T135-Y163 HydrophobicContact CG2-CG 4.24Å
136E92.3Very high91.7Very high96 Ų9633.6 Ų33.645%0.44919%0.186SC..Hα-helixtrans-69.3-27.2-178.759.1-85-157.900112.1C134 L138 P140C134-E136 VanDerWaalsContact C-N 3.31Å; C134-E136 HydrophobicContact CB-CG 4.35Å; C134-E136 WeakPolarHBondContact CB-OE1 3.41Å; C134-E136 VanDerWaalsContact CB-OE2 3.23Å; C134-E136 WeakPolarHBondContact CB-OE2 3.37Å; C134-E136 PolarHBondContact O-N 3.02Å; E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 3.07Å; E136-P140 WeakPolarHBondContact O-CD 3.06Å
137N94.2Very high91Very high1 Ų134.6 Ų34.61%0.00519%0.193CC..Hα-helixtrans-70.8-26.8-179.6-58.7-11.3000112.3L39 F89 C90 V133 C134 T135 T139 P140 W141 L170L39-N137 HydrophobicContact CD1-CB 4.22Å; F89-N137 PolarHBondContact O-OD1 2.77Å; C90-N137 PolarHBondContact O-OD1 2.85Å; V133-N137 HydrophobicContact CG2-CB 4.29Å; C134-N137 PolarHBondContact N-ND2 3.17Å; C134-N137 VanDerWaalsContact N-ND2 3.17Å; C134-N137 WeakPolarHBondContact O-CB 3.4Å; C134-N137 PolarHBondContact O-N 3.21Å; T135-N137 VanDerWaalsContact C-N 3.3Å; T135-N137 PolarHBondContact O-N 2.97Å; N137-T139 PolarHBondContact O-N 2.78Å; N137-P140 WeakPolarHBondContact O-CD 3.43Å; N137-P140 WeakPolarHBondContact O-CG 3.09Å; N137-W141 WeakPolarHBondContact O-CB 3.39Å; N137-W141 PolarHBondContact O-N 2.85Å; N137-L170 HydrophobicContact CB-CD1 4.25Å
138L92.3Very high89.9Confident5 Ų542 Ų423%0.02622%0.224CC..Hα-helixtrans-65.4-41.2-178.7-171.756.4000112.4T135 E136 W141 K142 L157 I162 Y163 L170T135-L138 PolarHBondContact O-N 2.9Å; E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 3.07Å; L138-W141 PolarHBondContact O-N 2.81Å; L138-K142 HydrophobicContact CD1-CG 4.25Å; L138-K142 HydrophobicContact CG-CD 4.25Å; L138-K142 HydrophobicContact CG-CG 4.33Å; L138-K142 VanDerWaalsContact O-CG 3.31Å; L138-K142 WeakPolarHBondContact O-CG 3.12Å; L138-K142 PolarHBondContact O-N 3.09Å; L138-L157 WeakPolarHBondContact CD2-O 3.3Å; L138-I162 HydrophobicContact CD1-CD1 4.32Å; L138-I162 HydrophobicContact CD2-CD1 3.88Å; L138-Y163 HydrophobicContact CB-CE2 4.07Å; L138-Y163 WeakPolarHBondContact CB-OH 3.31Å; L138-Y163 HydrophobicContact CD2-CE2 4.06Å; L138-L170 HydrophobicContact CD1-CD1 4.44Å; L138-L170 HydrophobicContact CD1-CD2 4.01Å
139T91Very high89Confident73 Ų7343.7 Ų43.745%0.44824%0.236SC..Hα-helixtrans-62-53.6-175.4-59.80000112.7N137 W141 K142 K143N137-T139 PolarHBondContact O-N 2.78Å; T139-W141 VanDerWaalsContact C-N 3.31Å; T139-W141 PolarHBondContact O-N 2.83Å; T139-K142 PolarHBondContact O-N 2.92Å; T139-K143 WeakPolarHBondContact O-CG 3.47Å; T139-K143 PolarHBondContact O-N 3.34Å; T139-K143 VanDerWaalsContact O-N 3.07Å
140P91.9Very high88.3Confident18 Ų1848.9 Ų48.912%0.11726%0.262CS..Hα-helixtrans-62.9-38.2175.522.7-29.6000111.9L88 E136 N137 K142 K143 L144L88-P140 WeakPolarHBondContact O-CB 3.08Å; E136-P140 WeakPolarHBondContact O-CD 3.06Å; N137-P140 WeakPolarHBondContact O-CD 3.43Å; N137-P140 WeakPolarHBondContact O-CG 3.09Å; P140-K142 VanDerWaalsContact C-N 3.33Å; P140-K142 PolarHBondContact O-N 3.05Å; P140-K143 WeakPolarHBondContact O-CB 3.25Å; P140-K143 PolarHBondContact O-N 3.03Å; P140-K143 VanDerWaalsContact O-N 3.16Å; P140-L144 PolarHBondContact O-N 2.88Å
141W91.4Very high87.9Confident4 Ų449.9 Ų49.92%0.01526%0.255CS..Hα-helixtrans-58.9-43.7177-175.897.4000112.1F89 N137 L138 T139 L144 L145 L157 L170 A171 Q192 V194F89-W141 HydrophobicContact CE1-CB 4.38Å; N137-W141 WeakPolarHBondContact O-CB 3.39Å; N137-W141 PolarHBondContact O-N 2.85Å; L138-W141 PolarHBondContact O-N 2.81Å; T139-W141 VanDerWaalsContact C-N 3.31Å; T139-W141 PolarHBondContact O-N 2.83Å; W141-L144 WeakPolarHBondContact O-CB 3.4Å; W141-L144 PolarHBondContact O-N 3.03Å; W141-L145 HydrophobicContact CH2-CD1 4.16Å; W141-L145 HydrophobicContact CZ3-CD1 3.83Å; W141-L157 HydrophobicContact CZ3-CD1 4.01Å; W141-L170 HydrophobicContact CB-CD1 4.27Å; W141-L170 HydrophobicContact CD2-CD2 4.21Å; W141-L170 HydrophobicContact CG-CD1 4.32Å; W141-L170 HydrophobicContact CG-CD2 4.39Å; W141-A171 PolarHBondContact NE1-O 3.29Å; W141-Q192 HydrophobicContact CH2-CB 4.07Å; W141-Q192 HydrophobicContact CZ2-CB 3.53Å; W141-Q192 HydrophobicContact CZ2-CG 4.26Å; W141-Q192 PolarHBondContact O-NE2 2.94Å; W141-V194 HydrophobicContact CD2-CG2 4.4Å; W141-V194 HydrophobicContact CE3-CG2 4.11Å; W141-V194 HydrophobicContact CH2-CG2 3.15Å; W141-V194 HydrophobicContact CZ2-CG2 3.37Å; W141-V194 HydrophobicContact CZ3-CG2 3.52Å
142K90.1Very high87.4Confident21 Ų2148.2 Ų48.29%0.09125%0.248CC..Hα-helixtrans-67.7-35175.9-72.5-177175.6-147.20113.4L138 T139 P140 L144 L145 T149 V154 L157L138-K142 HydrophobicContact CD1-CG 4.25Å; L138-K142 HydrophobicContact CG-CD 4.25Å; L138-K142 HydrophobicContact CG-CG 4.33Å; L138-K142 VanDerWaalsContact O-CG 3.31Å; L138-K142 WeakPolarHBondContact O-CG 3.12Å; L138-K142 PolarHBondContact O-N 3.09Å; T139-K142 PolarHBondContact O-N 2.92Å; P140-K142 VanDerWaalsContact C-N 3.33Å; P140-K142 PolarHBondContact O-N 3.05Å; K142-L144 PolarHBondContact O-N 3.29Å; K142-L144 VanDerWaalsContact O-N 3.13Å; K142-L145 WeakPolarHBondContact O-CB 3.24Å; K142-L145 PolarHBondContact O-N 3.32Å; K142-T149 HydrophobicContact CB-CG2 4.07Å; K142-T149 HydrophobicContact CD-CG2 4.07Å; K142-V154 HydrophobicContact CB-CG1 4.17Å; K142-V154 HydrophobicContact CD-CG1 3.9Å; K142-V154 HydrophobicContact CG-CG1 3.76Å; K142-V154 PolarHBondContact NZ-O 3.39Å; K142-L157 WeakPolarHBondContact CE-O 3.46Å; K142-L157 PolarHBondContact NZ-O 3.17Å
143K88.4Confident87.1Confident149 Ų14948.2 Ų48.265%0.64825%0.246SC*.Hα-helixtrans-62.7-16.1177.9-77.5178.1177.5179.80112.5T139 P140 L145T139-K143 WeakPolarHBondContact O-CG 3.47Å; T139-K143 PolarHBondContact O-N 3.34Å; T139-K143 VanDerWaalsContact O-N 3.07Å; P140-K143 WeakPolarHBondContact O-CB 3.25Å; P140-K143 PolarHBondContact O-N 3.03Å; P140-K143 VanDerWaalsContact O-N 3.16Å; K143-L145 PolarHBondContact O-N 2.86Å
144L88.3Confident86.8Confident8 Ų848.6 Ų48.64%0.04225%0.249CC..THydrogen-bonded Turntrans-74.4-14.3174.6-57.8177.3000113.7P20 F23 L88 F89 P140 W141 K142 L172P20-L144 HydrophobicContact CB-CD2 3.92Å; P20-L144 WeakPolarHBondContact CD-O 3.25Å; P20-L144 HydrophobicContact CG-CB 3.77Å; P20-L144 HydrophobicContact CG-CD2 3.62Å; P20-L144 HydrophobicContact CG-CG 4.3Å; P20-L144 WeakPolarHBondContact CG-O 3.32Å; F23-L144 HydrophobicContact CB-CD2 4.08Å; L88-L144 HydrophobicContact CD2-CD2 4.41Å; F89-L144 HydrophobicContact CE1-CD1 3.7Å; F89-L144 HydrophobicContact CZ-CD1 3.56Å; P140-L144 PolarHBondContact O-N 2.88Å; W141-L144 WeakPolarHBondContact O-CB 3.4Å; W141-L144 PolarHBondContact O-N 3.03Å; K142-L144 PolarHBondContact O-N 3.29Å; K142-L144 VanDerWaalsContact O-N 3.13Å; L144-L172 HydrophobicContact CD1-CD1 3.63Å
145L85.5Confident86.5Confident7 Ų747.4 Ų47.44%0.03724%0.242CC..SBendtrans-89.8139.5-177.7-65.8167.6000111.5L7 Y9 W141 K142 K143 C147 K148 V154L7-L145 HydrophobicContact CB-CD2 4.39Å; L7-L145 HydrophobicContact CD1-CD1 3.66Å; L7-L145 HydrophobicContact CD1-CD2 3.7Å; L7-L145 HydrophobicContact CD1-CG 4.35Å; Y9-L145 HydrophobicContact CE2-CD2 3.94Å; W141-L145 HydrophobicContact CH2-CD1 4.16Å; W141-L145 HydrophobicContact CZ3-CD1 3.83Å; K142-L145 WeakPolarHBondContact O-CB 3.24Å; K142-L145 PolarHBondContact O-N 3.32Å; K143-L145 PolarHBondContact O-N 2.86Å; L145-C147 VanDerWaalsContact C-N 3.31Å; L145-C147 PolarHBondContact O-N 2.77Å; L145-K148 PolarHBondContact O-N 2.96Å; L145-K148 VanDerWaalsContact O-N 3.14Å; L145-V154 HydrophobicContact CD1-CB 4.36Å; L145-V154 HydrophobicContact CD1-CG1 4.08Å; L145-V154 HydrophobicContact CD1-CG2 3.3Å
146P81.3Confident86.3Confident29 Ų2943.7 Ų43.719%0.18822%0.219CC..THydrogen-bonded Turntrans-64.5-32.1-17123.4-34000113.5Y9 L18 K148 I221Y9-P146 HydrophobicContact CE1-CG 4.09Å; L18-P146 HydrophobicContact CD2-CB 4.17Å; L18-P146 HydrophobicContact CD2-CG 4.47Å; P146-K148 VanDerWaalsContact C-N 3.27Å; P146-K148 PolarHBondContact O-N 3.12Å; P146-I221 HydrophobicContact CB-CD1 4.07Å; P146-I221 HydrophobicContact CB-CG2 4.38Å
147C82.1Confident86.1Confident22 Ų2240.1 Ų40.115%0.14920%0.203CC..THydrogen-bonded Turntrans-8510.9179.9-80.40000114.7L145 R151 C219L145-C147 VanDerWaalsContact C-N 3.31Å; L145-C147 PolarHBondContact O-N 2.77Å; C147-R151 HydrophobicContact CB-CB 4.27Å; C147-C219 HydrophobicContact CB-CB 3.74Å; C147-C219 WeakPolarHBondContact CB-SG 3.24Å; C147-C219 WeakPolarHBondContact SG-CA 3.45Å; C147-C219 WeakPolarHBondContact SG-CB 3.45Å; C147-C219 CovalentContact SG-SG 2.02Å; C147-C219 PolarHBondContact SG-SG 3.06Å
148K72.7Confident85.8Confident159 Ų15946.1 Ų46.169%0.69123%0.226SC*.  trans54.8-153.2-178.4-55.4-178.5179.71780111.7L145 P146L145-K148 PolarHBondContact O-N 2.96Å; L145-K148 VanDerWaalsContact O-N 3.14Å; P146-K148 VanDerWaalsContact C-N 3.27Å; P146-K148 PolarHBondContact O-N 3.12Å
149T78.5Confident85.6Confident48 Ų4848.6 Ų48.629%0.29424%0.243SC..SBendtrans-90.9-21-165.954.10000115.3K142 A155K142-T149 HydrophobicContact CB-CG2 4.07Å; K142-T149 HydrophobicContact CD-CG2 4.07Å; T149-A155 WeakPolarHBondContact O-CA 3.48Å
150D79.5Confident85.3Confident120 Ų12049.5 Ų49.564%0.64225%0.252SS*.SBendtrans-111.53.7-162.5-59.2-12.1000114
151R82.3Confident84.9Confident95 Ų9552.7 Ų52.736%0.35826%0.264SS..SBendtrans-126.9150.3-179.2-61.2-62.9-162.317714.5111.1C147 E217C147-R151 HydrophobicContact CB-CB 4.27Å; R151-E217 IonicContact CZ-OE1 3Å; R151-E217 VanDerWaalsContact CZ-OE1 3.31Å; R151-E217 IonicContact CZ-OE2 2.78Å; R151-E217 IonicContact NE-OE2 2.95Å; R151-E217 IonicContact NH1-OE1 3.73Å; R151-E217 PolarHBondContact NH1-OE1 3.42Å; R151-E217 IonicContact NH1-OE2 3.72Å; R151-E217 PolarHBondContact NH1-OE2 3.01Å; R151-E217 IonicContact NH2-OE1 3.7Å; R151-E217 PolarHBondContact NH2-OE1 2.82Å; R151-E217 VanDerWaalsContact NH2-OE1 3.09Å; R151-E217 IonicContact NH2-OE2 3.18Å; R151-E217 PolarHBondContact NH2-OE2 3.16Å
152G85.4Confident84.6Confident2 Ų252.6 Ų52.62%0.02126%0.264CS..SBendtrans65.7-166.1-178.600000113.9V154 A155 M215 E217G152-V154 PolarHBondContact O-N 2.98Å; G152-V154 VanDerWaalsContact O-N 3.11Å; G152-A155 WeakPolarHBondContact O-CB 3.34Å; G152-A155 PolarHBondContact O-N 3.06Å; G152-A155 VanDerWaalsContact O-N 3.09Å; G152-M215 VanDerWaalsContact CA-SD 3.57Å; G152-M215 VanDerWaalsContact O-SD 3.37Å; G152-E217 PolarHBondContact N-O 3.3Å
153L86.2Confident84.3Confident32 Ų3253.4 Ų53.417%0.16827%0.267CS..G310 helixtrans-61.6-22.3-175.5-63.1174.6000113.2A155 L156 M215 V227L153-A155 PolarHBondContact O-N 2.79Å; L153-L156 HydrophobicContact CD2-CD1 4.14Å; L153-L156 WeakPolarHBondContact O-CB 3.12Å; L153-L156 PolarHBondContact O-N 3.2Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L153-M215 HydrophobicContact CD2-CE 4.44Å; L153-M215 HydrophobicContact CD2-SD 4.12Å; L153-V227 HydrophobicContact CD2-CG2 3.83Å
154V87.1Confident84Confident10 Ų1049.6 Ų49.66%0.06127%0.27CS..G310 helixtrans-64-26.9177.5-173.80000112.4L7 K142 L145 G152 L156 L157L7-V154 HydrophobicContact CD1-CG2 4.04Å; K142-V154 HydrophobicContact CB-CG1 4.17Å; K142-V154 HydrophobicContact CD-CG1 3.9Å; K142-V154 HydrophobicContact CG-CG1 3.76Å; K142-V154 PolarHBondContact NZ-O 3.39Å; L145-V154 HydrophobicContact CD1-CB 4.36Å; L145-V154 HydrophobicContact CD1-CG1 4.08Å; L145-V154 HydrophobicContact CD1-CG2 3.3Å; G152-V154 PolarHBondContact O-N 2.98Å; G152-V154 VanDerWaalsContact O-N 3.11Å; V154-L156 PolarHBondContact O-N 2.92Å; V154-L157 WeakPolarHBondContact O-CB 3.44Å; V154-L157 PolarHBondContact O-N 2.78Å; V154-L157 VanDerWaalsContact O-N 3.12Å
155A85.8Confident84Confident18 Ų1850.3 Ų50.315%0.14928%0.276CS..G310 helixtrans-66.5-20.2177.400000113.1T149 G152 L153 L157 S213T149-A155 WeakPolarHBondContact O-CA 3.48Å; G152-A155 WeakPolarHBondContact O-CB 3.34Å; G152-A155 PolarHBondContact O-N 3.06Å; G152-A155 VanDerWaalsContact O-N 3.09Å; L153-A155 PolarHBondContact O-N 2.79Å; A155-L157 VanDerWaalsContact C-N 3.31Å; A155-S213 PolarHBondContact O-OG 3.35Å; A155-S213 VanDerWaalsContact O-OG 3.1Å
156L86.7Confident84Confident1 Ų157.4 Ų57.41%0.00530%0.303CS..G310 helixtrans-76.9-20.8175.6-58.3173.3000112.2F3 L153 V154 R158 M207 F211 S213 M215F3-L156 HydrophobicContact CE1-CD1 4.15Å; F3-L156 HydrophobicContact CZ-CD1 3.95Å; L153-L156 HydrophobicContact CD2-CD1 4.14Å; L153-L156 WeakPolarHBondContact O-CB 3.12Å; L153-L156 PolarHBondContact O-N 3.2Å; L153-L156 VanDerWaalsContact O-N 3.16Å; V154-L156 PolarHBondContact O-N 2.92Å; L156-R158 PolarHBondContact O-N 3.18Å; L156-M207 HydrophobicContact CD1-CE 4.14Å; L156-M207 HydrophobicContact CD1-CG 4.27Å; L156-M207 HydrophobicContact CD1-SD 3.52Å; L156-M207 VanDerWaalsContact CD1-SD 3.52Å; L156-M207 HydrophobicContact CD2-CG 3.58Å; L156-M207 HydrophobicContact CD2-SD 3.9Å; L156-M207 HydrophobicContact CG-SD 4.31Å; L156-F211 HydrophobicContact CB-CB 4.17Å; L156-F211 HydrophobicContact CB-CD1 3.97Å; L156-F211 HydrophobicContact CB-CD2 4.47Å; L156-F211 HydrophobicContact CB-CG 3.91Å; L156-F211 HydrophobicContact CD2-CB 4.36Å; L156-F211 WeakPolarHBondContact O-CD1 3.34Å; L156-S213 WeakPolarHBondContact CD2-O 3.41Å; L156-M215 HydrophobicContact CD2-CB 4.33Å
157L88.2Confident84.5Confident20 Ų2056.1 Ų56.111%0.10530%0.295CS..  trans-80.273.8-171-62.6178.5000112.1L138 W141 K142 V154 A155 I162 V194L138-L157 WeakPolarHBondContact CD2-O 3.3Å; W141-L157 HydrophobicContact CZ3-CD1 4.01Å; K142-L157 WeakPolarHBondContact CE-O 3.46Å; K142-L157 PolarHBondContact NZ-O 3.17Å; V154-L157 WeakPolarHBondContact O-CB 3.44Å; V154-L157 PolarHBondContact O-N 2.78Å; V154-L157 VanDerWaalsContact O-N 3.12Å; A155-L157 VanDerWaalsContact C-N 3.31Å; L157-I162 HydrophobicContact CB-CD1 3.59Å; L157-I162 HydrophobicContact CD2-CD1 3.76Å; L157-I162 HydrophobicContact CG-CD1 4.24Å; L157-V194 HydrophobicContact CD1-CB 4.47Å; L157-V194 HydrophobicContact CD1-CG2 3.9Å; L157-V194 HydrophobicContact CD2-CB 4.44Å; L157-V194 HydrophobicContact CD2-CG1 4.16Å
158R86.3Confident85Confident128 Ų12855.2 Ų55.248%0.48329%0.289SS..  trans-87136.2176.4-73.5-175.3166.1-173.2-4.1112L156 S160 K161 I162 G212L156-R158 PolarHBondContact O-N 3.18Å; R158-S160 VanDerWaalsContact C-N 3.3Å; R158-S160 PolarHBondContact O-N 3.26Å; R158-K161 PolarHBondContact O-N 2.95Å; R158-K161 VanDerWaalsContact O-N 3.13Å; R158-I162 WeakPolarHBondContact O-CG1 3.4Å; R158-I162 PolarHBondContact O-N 3.32Å; R158-G212 PolarHBondContact NH1-O 3.24Å
159S88Confident86Confident56 Ų5647.8 Ų47.839%0.39226%0.257SS..Hα-helixtrans-55.1-44.2179.652.70000112.4K161 I162 Y163S159-K161 PolarHBondContact O-N 3.28Å; S159-I162 PolarHBondContact O-N 3.23Å; S159-Y163 VanDerWaalsContact O-CD2 3.26Å; S159-Y163 WeakPolarHBondContact O-CD2 3.28Å; S159-Y163 PolarHBondContact O-N 3.37Å
160S85.5Confident86.7Confident92 Ų9245.8 Ų45.864%0.64324%0.244SC*.Hα-helixtrans-61-26.4-179.159.10000114.5R158R158-S160 VanDerWaalsContact C-N 3.3Å; R158-S160 PolarHBondContact O-N 3.26Å
161K84.2Confident87.4Confident85 Ų8540.5 Ų40.537%0.3722%0.217SC..Hα-helixtrans-97-36.6179.3-71.1-70.2-172.4170.40112.7R158 S159 L198 F211R158-K161 PolarHBondContact O-N 2.95Å; R158-K161 VanDerWaalsContact O-N 3.13Å; S159-K161 PolarHBondContact O-N 3.28Å; K161-L198 WeakPolarHBondContact O-CD2 3.23Å; K161-F211 WeakPolarHBondContact CG-O 3.45Å
162I85.6Confident87.9Confident3 Ų336.1 Ų36.12%0.01520%0.201CC..Hα-helixtrans-68.5-47.9179.3-66.8173.1000111L138 L157 R158 S159 G164 S165 V196L138-I162 HydrophobicContact CD1-CD1 4.32Å; L138-I162 HydrophobicContact CD2-CD1 3.88Å; L157-I162 HydrophobicContact CB-CD1 3.59Å; L157-I162 HydrophobicContact CD2-CD1 3.76Å; L157-I162 HydrophobicContact CG-CD1 4.24Å; R158-I162 WeakPolarHBondContact O-CG1 3.4Å; R158-I162 PolarHBondContact O-N 3.32Å; S159-I162 PolarHBondContact O-N 3.23Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 2.96Å; I162-S165 WeakPolarHBondContact O-CB 3.13Å; I162-S165 PolarHBondContact O-N 2.87Å; I162-S165 PolarHBondContact O-OG 3.24Å; I162-V196 HydrophobicContact CG1-CG2 4.2Å; I162-V196 HydrophobicContact CG2-CG1 4.5Å; I162-V196 HydrophobicContact CG2-CG2 3.96Å
163Y83.4Confident88.2Confident37 Ų3737.5 Ų37.515%0.14521%0.21CC..THydrogen-bonded Turntrans-87.1-4.5-172.1-60.9-63.4000114V133 C134 T135 L138 S159 S165V133-Y163 HydrophobicContact CB-CE1 4.22Å; V133-Y163 HydrophobicContact CG1-CD1 4.28Å; V133-Y163 HydrophobicContact CG1-CE1 3.77Å; V133-Y163 HydrophobicContact CG2-CE1 3.57Å; V133-Y163 WeakPolarHBondContact CG2-OH 3.48Å; C134-Y163 VanDerWaalsContact O-CZ 3.28Å; C134-Y163 PolarHBondContact O-OH 3.32Å; C134-Y163 VanDerWaalsContact O-OH 3.08Å; T135-Y163 HydrophobicContact CG2-CD2 3.74Å; T135-Y163 HydrophobicContact CG2-CE2 4.34Å; T135-Y163 HydrophobicContact CG2-CG 4.24Å; L138-Y163 HydrophobicContact CB-CE2 4.07Å; L138-Y163 WeakPolarHBondContact CB-OH 3.31Å; L138-Y163 HydrophobicContact CD2-CE2 4.06Å; S159-Y163 VanDerWaalsContact O-CD2 3.26Å; S159-Y163 WeakPolarHBondContact O-CD2 3.28Å; S159-Y163 PolarHBondContact O-N 3.37Å; Y163-S165 VanDerWaalsContact C-N 3.28Å
164G81.9Confident88.5Confident70 Ų7036 Ų3672%0.72220%0.203SC*.THydrogen-bonded Turntrans-86.83.6164.300000113.5I162I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 2.96Å
165S86.9Confident88.6Confident23 Ų2338.6 Ų38.616%0.16121%0.213CC..SBendtrans-85.8162.9-17577.80000112.6I162 Y163 Y167 V196 V197I162-S165 WeakPolarHBondContact O-CB 3.13Å; I162-S165 PolarHBondContact O-N 2.87Å; I162-S165 PolarHBondContact O-OG 3.24Å; Y163-S165 VanDerWaalsContact C-N 3.28Å; S165-Y167 PolarHBondContact O-N 3.46Å; S165-Y167 PolarHBondContact OG-O 3.17Å; S165-V196 VanDerWaalsContact CB-CG1 3.5Å; S165-V196 WeakPolarHBondContact OG-CG1 3.27Å; S165-V197 WeakPolarHBondContact CB-O 3.41Å
166Y87.3Confident88.7Confident156 Ų15639.5 Ų39.561%0.61221%0.213SC*.SBendtrans-71.4-20.2178.9-68.6-72.2000113.8V197 D199Y166-V197 PolarHBondContact N-O 3.49Å; Y166-D199 HydrophobicContact CE2-CB 4.28Å
167Y91.5Very high88.4Confident2 Ų240.9 Ų40.91%0.00822%0.221CC..  trans-155.2128.4178.5176.1-88.2000108.8T40 Q41 G42 W44 W49 Y52 S165 T195 V196 V197T40-Y167 HydrophobicContact CG2-CD2 4.33Å; T40-Y167 HydrophobicContact CG2-CE2 3.42Å; T40-Y167 VanDerWaalsContact CG2-CE2 3.42Å; T40-Y167 WeakPolarHBondContact CG2-OH 3.5Å; Q41-Y167 WeakPolarHBondContact O-CA 3.29Å; G42-Y167 WeakPolarHBondContact O-CD2 3.48Å; W44-Y167 HydrophobicContact CB-CD2 4.24Å; W44-Y167 HydrophobicContact CB-CE2 3.87Å; W44-Y167 AromaticContact CE3-CD1 3.62Å; W44-Y167 HydrophobicContact CE3-CD1 3.62Å; W44-Y167 HydrophobicContact CE3-CD2 4.28Å; W44-Y167 AromaticContact CE3-CE1 3.67Å; W44-Y167 HydrophobicContact CE3-CE1 3.67Å; W44-Y167 HydrophobicContact CE3-CE2 4.34Å; W44-Y167 AromaticContact CE3-CG 3.93Å; W44-Y167 HydrophobicContact CE3-CG 3.93Å; W44-Y167 AromaticContact CZ3-CD1 3.93Å; W44-Y167 HydrophobicContact CZ3-CD1 3.93Å; W44-Y167 HydrophobicContact CZ3-CE1 4.11Å; W49-Y167 HydrophobicContact CZ3-CG 4.32Å; Y52-Y167 VanDerWaalsContact OH-CE1 3.31Å; Y52-Y167 WeakPolarHBondContact OH-CE1 3.44Å; Y52-Y167 PolarHBondContact OH-OH 3.21Å; S165-Y167 PolarHBondContact O-N 3.46Å; S165-Y167 PolarHBondContact OG-O 3.17Å; Y167-T195 HydrophobicContact CD1-CG2 4.03Å; Y167-T195 HydrophobicContact CE1-CG2 3.69Å; Y167-V196 CarbonylContact O-C 3.51Å; Y167-V196 VanDerWaalsContact O-CA 3.3Å; Y167-V196 WeakPolarHBondContact O-CA 3.2Å; Y167-V197 HydrophobicContact CD1-CG2 4.27Å; Y167-V197 HydrophobicContact CG-CG2 4.38Å; Y167-V197 PolarHBondContact O-N 3.5Å
168S92.6Very high87.7Confident3 Ų344.7 Ų44.72%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-138130.3174.859.20000110.2T40 Q41 V133 T195T40-S168 WeakPolarHBondContact CA-O 3.43Å; Q41-S168 PolarHBondContact N-O 2.83Å; Q41-S168 PolarHBondContact O-N 3.18Å; V133-S168 WeakPolarHBondContact CG1-O 3.38Å; V133-S168 VanDerWaalsContact CG1-OG 3.3Å; V133-S168 WeakPolarHBondContact CG1-OG 3.17Å; S168-T195 CarbonylContact C-O 3.57Å; S168-T195 WeakPolarHBondContact CA-O 3.28Å
169S93.5Very high86.7Confident3 Ų342.3 Ų42.32%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-136.5136177.4-177.90000111.3L39 T40 V56 V194 T195L39-S169 WeakPolarHBondContact O-CA 3.48Å; T40-S169 WeakPolarHBondContact OG1-CB 3.45Å; T40-S169 PolarHBondContact OG1-OG 3.04Å; V56-S169 WeakPolarHBondContact CG2-OG 3.35Å; S169-V194 WeakPolarHBondContact O-CA 3.45Å; S169-T195 PolarHBondContact N-O 3.1Å; S169-T195 PolarHBondContact O-N 2.95Å
170L93.9Very high85.3Confident6 Ų644.5 Ų44.53%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-110.2121.1167-61.2179.7000107.9S38 L39 V133 N137 L138 W141 V194S38-L170 CarbonylContact C-O 3.56Å; S38-L170 VanDerWaalsContact CA-O 3.25Å; S38-L170 WeakPolarHBondContact CA-O 3.39Å; L39-L170 PolarHBondContact N-O 3.36Å; L39-L170 PolarHBondContact O-N 2.87Å; V133-L170 HydrophobicContact CG2-CD1 3.65Å; V133-L170 HydrophobicContact CG2-CG 3.89Å; N137-L170 HydrophobicContact CB-CD1 4.25Å; L138-L170 HydrophobicContact CD1-CD1 4.44Å; L138-L170 HydrophobicContact CD1-CD2 4.01Å; W141-L170 HydrophobicContact CB-CD1 4.27Å; W141-L170 HydrophobicContact CD2-CD2 4.21Å; W141-L170 HydrophobicContact CG-CD1 4.32Å; W141-L170 HydrophobicContact CG-CD2 4.39Å; L170-V194 HydrophobicContact CD2-CB 4.28Å; L170-V194 HydrophobicContact CD2-CG1 3.91Å; L170-V194 HydrophobicContact CD2-CG2 3.61Å
171A93.3Very high84.2Confident9 Ų947.9 Ų47.97%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-125.9151.8175.900000110.7L37 V56 W141 T193L37-A171 CarbonylContact O-C 3.5Å; L37-A171 WeakPolarHBondContact O-CA 3.01Å; V56-A171 HydrophobicContact CG1-CB 4.26Å; W141-A171 PolarHBondContact NE1-O 3.29Å; A171-T193 PolarHBondContact N-O 3.26Å; A171-T193 PolarHBondContact O-N 2.82Å
172L92.6Very high82.9Confident3 Ų345.1 Ų45.12%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-143.1133.7173.7178.5156.8000109F23 Q36 L37 F89 L144 A174 L190 H191 Q192F23-L172 HydrophobicContact CE1-CD2 4.17Å; F23-L172 HydrophobicContact CE2-CD1 4.38Å; F23-L172 HydrophobicContact CE2-CD2 3.95Å; F23-L172 HydrophobicContact CZ-CD1 4.29Å; F23-L172 HydrophobicContact CZ-CD2 3.42Å; F23-L172 VanDerWaalsContact CZ-CD2 3.42Å; F23-L172 HydrophobicContact CZ-CG 4.49Å; Q36-L172 CarbonylContact C-O 3.51Å; Q36-L172 WeakPolarHBondContact CA-O 3.09Å; L37-L172 HydrophobicContact CD1-CB 3.85Å; L37-L172 HydrophobicContact CD2-CB 4.39Å; L37-L172 HydrophobicContact CD2-CD2 4.07Å; L37-L172 HydrophobicContact CG-CB 3.89Å; L37-L172 HydrophobicContact CG-CD2 4.27Å; L37-L172 PolarHBondContact N-O 3.36Å; L37-L172 PolarHBondContact O-N 2.95Å; F89-L172 HydrophobicContact CZ-CD1 3.91Å; L144-L172 HydrophobicContact CD1-CD1 3.63Å; L172-A174 HydrophobicContact CD2-CB 4.44Å; L172-L190 HydrophobicContact CD1-CD1 3.85Å; L172-L190 HydrophobicContact CD2-CD1 3.68Å; L172-L190 HydrophobicContact CG-CD1 3.61Å; L172-H191 CarbonylContact C-O 3.51Å; L172-H191 VanDerWaalsContact CA-O 3.26Å; L172-H191 WeakPolarHBondContact CA-O 3.07Å; L172-Q192 HydrophobicContact CD1-CG 3.96Å; L172-Q192 HydrophobicContact CG-CG 4.16Å
173S91.9Very high81.7Confident30 Ų3054 Ų5421%0.2131%0.306CS..EExtended strand (participates in β ladder)trans-126.6128.9173.9176.10000108.8L35 H191L35-S173 CarbonylContact O-C 3.59Å; L35-S173 VanDerWaalsContact O-CA 3.25Å; L35-S173 WeakPolarHBondContact O-CA 3.32Å; S173-H191 PolarHBondContact N-O 2.91Å; S173-H191 PolarHBondContact O-N 3.25Å
174A91.7Very high80.6Confident2 Ų255.2 Ų55.22%0.01733%0.33CS..EExtended strand (participates in β ladder)trans-122.5133.817400000109.4F23 L27 K34 L35 L172 E189 L190F23-A174 HydrophobicContact CE1-CB 3.95Å; F23-A174 HydrophobicContact CZ-CB 3.98Å; L27-A174 HydrophobicContact CD1-CB 3.8Å; K34-A174 CarbonylContact C-O 3.55Å; K34-A174 WeakPolarHBondContact CA-O 3.27Å; L35-A174 HydrophobicContact CB-CB 4.3Å; L35-A174 PolarHBondContact N-O 2.72Å; L35-A174 PolarHBondContact O-N 2.92Å; L172-A174 HydrophobicContact CD2-CB 4.44Å; A174-E189 CarbonylContact C-O 3.37Å; A174-E189 VanDerWaalsContact CA-O 3.23Å; A174-E189 WeakPolarHBondContact CA-O 3.33Å; A174-L190 HydrophobicContact CB-CD1 4.12Å
175K89.6Confident79.6Confident63 Ų6359.6 Ų59.627%0.27433%0.325SS..EExtended strand (participates in β ladder)trans-134.4134179.7-177.4179.6176.3-179.70109.8F188 E189K175-F188 WeakPolarHBondContact O-CA 2.8Å; K175-E189 PolarHBondContact N-O 3.38Å; K175-E189 PolarHBondContact O-N 3.19Å
176R87.8Confident79Confident38 Ų3861.8 Ų61.814%0.14333%0.333CS..EExtended strand (participates in β ladder)trans-76.6128.3172.5-168.5178.9-68.1-110.76.5109.4V32 S33 E67 E186 D187 F188V32-R176 PolarHBondContact O-NE 2.78Å; V32-R176 PolarHBondContact O-NH2 3.11Å; S33-R176 WeakPolarHBondContact O-CB 3.32Å; S33-R176 PolarHBondContact O-N 3.39Å; E67-R176 IonicContact OE1-CZ 2.83Å; E67-R176 IonicContact OE1-NE 3.41Å; E67-R176 IonicContact OE1-NH1 3.66Å; E67-R176 IonicContact OE1-NH2 2.83Å; E67-R176 PolarHBondContact OE1-NH2 2.04Å; R176-E186 WeakPolarHBondContact CD-OE2 3.34Å; R176-E186 HydrophobicContact CG-CB 4.11Å; R176-E186 IonicContact CZ-OE2 3.65Å; R176-E186 IonicContact NE-OE2 3.6Å; R176-E186 IonicContact NH1-OE2 3.11Å; R176-E186 PolarHBondContact NH1-OE2 3.07Å; R176-D187 CarbonylContact C-O 3.49Å; R176-D187 VanDerWaalsContact CA-O 3.27Å; R176-D187 WeakPolarHBondContact CA-O 3.34Å; R176-F188 HydrophobicContact CB-CD1 4.18Å; R176-F188 HydrophobicContact CB-CE1 3.87Å; R176-F188 HydrophobicContact CG-CE1 4.39Å; R176-F188 VanDerWaalsContact NH2-CZ 3.35Å
177T80.8Confident78.5Confident29 Ų2954.5 Ų54.518%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-122.2137.3-179.950.60000109.5E186 D187 E189T177-E186 CarbonylContact O-C 3.59Å; T177-E186 WeakPolarHBondContact O-CA 3.12Å; T177-D187 PolarHBondContact N-O 2.81Å; T177-D187 PolarHBondContact O-N 3.05Å; T177-D187 WeakPolarHBondContact OG1-CB 3.35Å; T177-D187 PolarHBondContact OG1-O 2.78Å; T177-E189 HydrophobicContact CG2-CB 4.21Å
178T73.7Confident78.1Confident101 Ų10154.6 Ų54.662%0.6230%0.304SS*.EExtended strand (participates in β ladder)trans-104125.7173.851.60000109.4A180 E186T178-A180 PolarHBondContact O-N 3.18Å; T178-E186 HydrophobicContact CG2-CB 4.15Å; T178-E186 HydrophobicContact CG2-CG 4.07Å
179H65.4Low77.8Confident77 Ų7755.2 Ų55.236%0.35631%0.307SS..  trans-86.3113.2176.3-75.8-82.6000109.9N181 A182 R185 D187H179-N181 PolarHBondContact O-N 2.89Å; H179-A182 HydrophobicContact CB-CB 4.14Å; H179-A182 PolarHBondContact O-N 3.06Å; H179-R185 PolarHBondContact N-O 3.39Å; H179-D187 VanDerWaalsContact CD2-CG 3.42Å; H179-D187 IonicContact CD2-OD2 3.2Å; H179-D187 PolarHBondContact CD2-OD2 2.99Å; H179-D187 IonicContact NE2-OD2 2.68Å; H179-D187 PolarHBondContact NE2-OD2 2.78Å; H179-D187 VanDerWaalsContact NE2-OD2 3.17Å
180A58.1Low77.5Confident102 Ų10255.2 Ų55.284%0.84331%0.307SS*.THydrogen-bonded Turntrans-54.2-29.5179.500000113.7T178T178-A180 PolarHBondContact O-N 3.18Å
181N61.9Low77.2Confident163 Ų16356.5 Ų56.587%0.87231%0.313SS*.THydrogen-bonded Turntrans-90-11.2-174-63.7-2000114.2H179H179-N181 PolarHBondContact O-N 2.89Å
182A57.5Low77.1Confident28 Ų2856.2 Ų56.223%0.23131%0.31CS..THydrogen-bonded Turntrans-117.767.9-169.400000111.8H179 G184 R185H179-A182 HydrophobicContact CB-CB 4.14Å; H179-A182 PolarHBondContact O-N 3.06Å; A182-G184 PolarHBondContact O-N 3.05Å; A182-R185 WeakPolarHBondContact O-CB 3.3Å; A182-R185 PolarHBondContact O-N 2.87Å
183H60.3Low76.9Confident188 Ų18856.6 Ų56.687%0.8731%0.312SS*.THydrogen-bonded Turntrans43.335.7167.1-63.2-68.7000116.5R185H183-R185 VanDerWaalsContact C-N 3.27Å; H183-R185 PolarHBondContact O-N 3.01Å
184G59.6Low76.9Confident63 Ų6355.6 Ų55.665%0.64931%0.305SS*.THydrogen-bonded Turntrans68.917.4-178.300000115.4A182 E186A182-G184 PolarHBondContact O-N 3.05Å; G184-E186 PolarHBondContact O-N 2.91Å
185R62.7Low76.8Confident163 Ų16355.8 Ų55.862%0.61531%0.306SS*.  trans-67.3129.8170.5-68.5-178.6-178.9176.80.4109.4H179 A182 H183H179-R185 PolarHBondContact N-O 3.39Å; A182-R185 WeakPolarHBondContact O-CB 3.3Å; A182-R185 PolarHBondContact O-N 2.87Å; H183-R185 VanDerWaalsContact C-N 3.27Å; H183-R185 PolarHBondContact O-N 3.01Å
186E72.8Confident76.9Confident69 Ų6953 Ų5332%0.32229%0.294SS..EExtended strand (participates in β ladder)trans-98156.3173-20179.1113.700109.7L13 R176 T177 T178 G184L13-E186 WeakPolarHBondContact CB-O 3.3Å; L13-E186 VanDerWaalsContact CD1-C 3.47Å; L13-E186 HydrophobicContact CD1-CB 3.52Å; L13-E186 HydrophobicContact CD1-CG 4.03Å; L13-E186 WeakPolarHBondContact CD1-O 3.5Å; L13-E186 VanDerWaalsContact CG-C 3.45Å; L13-E186 HydrophobicContact CG-CB 4.31Å; L13-E186 WeakPolarHBondContact CG-O 3.37Å; L13-E186 PolarHBondContact N-O 2.85Å; R176-E186 WeakPolarHBondContact CD-OE2 3.34Å; R176-E186 HydrophobicContact CG-CB 4.11Å; R176-E186 IonicContact CZ-OE2 3.65Å; R176-E186 IonicContact NE-OE2 3.6Å; R176-E186 IonicContact NH1-OE2 3.11Å; R176-E186 PolarHBondContact NH1-OE2 3.07Å; T177-E186 CarbonylContact O-C 3.59Å; T177-E186 WeakPolarHBondContact O-CA 3.12Å; T178-E186 HydrophobicContact CG2-CB 4.15Å; T178-E186 HydrophobicContact CG2-CG 4.07Å; G184-E186 PolarHBondContact O-N 2.91Å
187D76.9Confident76.9Confident3 Ų351.4 Ų51.42%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-141158.3-166.3-87.430.1000108F11 F12 R176 T177 H179F11-D187 CarbonylContact O-C 3.31Å; F11-D187 VanDerWaalsContact O-C 3.31Å; F11-D187 WeakPolarHBondContact O-CA 3.38Å; F11-D187 WeakPolarHBondContact O-CB 3.33Å; F12-D187 VanDerWaalsContact CA-CG 3.47Å; F12-D187 VanDerWaalsContact CA-OD1 3.29Å; F12-D187 WeakPolarHBondContact CA-OD1 3.42Å; F12-D187 WeakPolarHBondContact CD1-OD1 3.41Å; F12-D187 WeakPolarHBondContact CD1-OD2 3.27Å; R176-D187 CarbonylContact C-O 3.49Å; R176-D187 VanDerWaalsContact CA-O 3.27Å; R176-D187 WeakPolarHBondContact CA-O 3.34Å; T177-D187 PolarHBondContact N-O 2.81Å; T177-D187 PolarHBondContact O-N 3.05Å; T177-D187 WeakPolarHBondContact OG1-CB 3.35Å; T177-D187 PolarHBondContact OG1-O 2.78Å; H179-D187 VanDerWaalsContact CD2-CG 3.42Å; H179-D187 IonicContact CD2-OD2 3.2Å; H179-D187 PolarHBondContact CD2-OD2 2.99Å; H179-D187 IonicContact NE2-OD2 2.68Å; H179-D187 PolarHBondContact NE2-OD2 2.78Å; H179-D187 VanDerWaalsContact NE2-OD2 3.17Å
188F83.6Confident77.1Confident3 Ų350.7 Ų50.71%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-113.9130.3171.1-80.4-72000110.9F11 L13 M19 L27 Q28 K175 R176F11-F188 VanDerWaalsContact CB-O 3.31Å; F11-F188 WeakPolarHBondContact CB-O 3.46Å; F11-F188 WeakPolarHBondContact CD2-O 3.29Å; F11-F188 PolarHBondContact N-O 2.94Å; F11-F188 PolarHBondContact O-N 2.8Å; L13-F188 HydrophobicContact CD2-CD2 3.58Å; L13-F188 HydrophobicContact CD2-CE2 3.32Å; L13-F188 HydrophobicContact CD2-CZ 4.37Å; M19-F188 HydrophobicContact CE-CB 4.48Å; M19-F188 HydrophobicContact CE-CD2 4.3Å; M19-F188 HydrophobicContact SD-CB 4.22Å; L27-F188 HydrophobicContact CB-CE1 4.16Å; L27-F188 HydrophobicContact CB-CE2 4.05Å; L27-F188 HydrophobicContact CB-CZ 3.66Å; L27-F188 HydrophobicContact CD1-CD1 3.87Å; L27-F188 HydrophobicContact CD1-CD2 4.45Å; L27-F188 HydrophobicContact CD1-CE1 3.78Å; L27-F188 HydrophobicContact CD1-CE2 4.35Å; L27-F188 HydrophobicContact CD1-CG 4.21Å; L27-F188 HydrophobicContact CD1-CZ 4.02Å; L27-F188 HydrophobicContact CG-CZ 4.49Å; Q28-F188 HydrophobicContact CG-CE2 4.34Å; K175-F188 WeakPolarHBondContact O-CA 2.8Å; R176-F188 HydrophobicContact CB-CD1 4.18Å; R176-F188 HydrophobicContact CB-CE1 3.87Å; R176-F188 HydrophobicContact CG-CE1 4.39Å; R176-F188 VanDerWaalsContact NH2-CZ 3.35Å
189E85.8Confident77.4Confident17 Ų1749.6 Ų49.68%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-96.1123.2168.2-166-174.9175.300108.8Y9 A174 K175 T177 H191Y9-E189 CarbonylContact O-C 3.57Å; Y9-E189 WeakPolarHBondContact O-CA 3.47Å; Y9-E189 WeakPolarHBondContact O-CG 3.44Å; A174-E189 CarbonylContact C-O 3.37Å; A174-E189 VanDerWaalsContact CA-O 3.23Å; A174-E189 WeakPolarHBondContact CA-O 3.33Å; K175-E189 PolarHBondContact N-O 3.38Å; K175-E189 PolarHBondContact O-N 3.19Å; T177-E189 HydrophobicContact CG2-CB 4.21Å; E189-H191 WeakPolarHBondContact CG-NE2 3.49Å; E189-H191 IonicContact OE1-CD2 3Å; E189-H191 IonicContact OE1-CE1 3.85Å; E189-H191 PolarHBondContact OE1-CE1 3.13Å; E189-H191 IonicContact OE1-NE2 3.88Å; E189-H191 PolarHBondContact OE1-NE2 3.3Å
190L88.2Confident78Confident3 Ų346.6 Ų46.62%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-116.8125.1-177.8-178.863.7000110.5Y9 F11 F23 L172 A174 Q192Y9-L190 PolarHBondContact N-O 2.79Å; Y9-L190 PolarHBondContact O-N 2.88Å; F11-L190 HydrophobicContact CD2-CB 4.4Å; F11-L190 HydrophobicContact CE2-CB 3.96Å; F23-L190 HydrophobicContact CD1-CD1 4.43Å; F23-L190 HydrophobicContact CE1-CD1 3.71Å; F23-L190 HydrophobicContact CZ-CD1 4.27Å; L172-L190 HydrophobicContact CD1-CD1 3.85Å; L172-L190 HydrophobicContact CD2-CD1 3.68Å; L172-L190 HydrophobicContact CG-CD1 3.61Å; A174-L190 HydrophobicContact CB-CD1 4.12Å; L190-Q192 HydrophobicContact CG-CG 4.36Å
191H87.2Confident78.4Confident33 Ų3348 Ų4815%0.15325%0.254CS..EExtended strand (participates in β ladder)trans-117.7123.4178-70.5-119.3000109F8 L172 S173 E189F8-H191 AromaticContact CD1-CE1 3.21Å; F8-H191 WeakPolarHBondContact CD1-CE1 3.38Å; F8-H191 AromaticContact CD1-ND1 3.36Å; F8-H191 WeakPolarHBondContact CD1-ND1 3.35Å; F8-H191 AromaticContact CE1-CE1 3.34Å; F8-H191 WeakPolarHBondContact CE1-CE1 3.45Å; F8-H191 AromaticContact CE1-ND1 3.36Å; F8-H191 WeakPolarHBondContact CE1-ND1 3.43Å; L172-H191 CarbonylContact C-O 3.51Å; L172-H191 VanDerWaalsContact CA-O 3.26Å; L172-H191 WeakPolarHBondContact CA-O 3.07Å; S173-H191 PolarHBondContact N-O 2.91Å; S173-H191 PolarHBondContact O-N 3.25Å; E189-H191 WeakPolarHBondContact CG-NE2 3.49Å; E189-H191 IonicContact OE1-CD2 3Å; E189-H191 IonicContact OE1-CE1 3.85Å; E189-H191 PolarHBondContact OE1-CE1 3.13Å; E189-H191 IonicContact OE1-NE2 3.88Å; E189-H191 PolarHBondContact OE1-NE2 3.3Å
192Q90Very high78.7Confident2 Ų248.7 Ų48.71%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-119.6125.3176.9-77.6-166.8-81.800109L7 W141 L172 L190L7-Q192 PolarHBondContact N-O 2.78Å; L7-Q192 PolarHBondContact O-N 3.17Å; W141-Q192 HydrophobicContact CH2-CB 4.07Å; W141-Q192 HydrophobicContact CZ2-CB 3.53Å; W141-Q192 HydrophobicContact CZ2-CG 4.26Å; W141-Q192 PolarHBondContact O-NE2 2.94Å; L172-Q192 HydrophobicContact CD1-CG 3.96Å; L172-Q192 HydrophobicContact CG-CG 4.16Å; L190-Q192 HydrophobicContact CG-CG 4.36Å
193T90.4Very high79Confident12 Ų1250.8 Ų50.87%0.07426%0.257CS..EExtended strand (participates in β ladder)trans-125.1133.7-178.1-53.70000110.9F4 A171F4-T193 HydrophobicContact CE1-CG2 3.83Å; F4-T193 HydrophobicContact CZ-CG2 4.18Å; A171-T193 PolarHBondContact N-O 3.26Å; A171-T193 PolarHBondContact O-N 2.82Å
194V91Very high79.2Confident8 Ų847.5 Ų47.55%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-118.1126.5164.8-173.90000108.5W141 L157 S169 L170 V196W141-V194 HydrophobicContact CD2-CG2 4.4Å; W141-V194 HydrophobicContact CE3-CG2 4.11Å; W141-V194 HydrophobicContact CH2-CG2 3.15Å; W141-V194 HydrophobicContact CZ2-CG2 3.37Å; W141-V194 HydrophobicContact CZ3-CG2 3.52Å; L157-V194 HydrophobicContact CD1-CB 4.47Å; L157-V194 HydrophobicContact CD1-CG2 3.9Å; L157-V194 HydrophobicContact CD2-CB 4.44Å; L157-V194 HydrophobicContact CD2-CG1 4.16Å; S169-V194 WeakPolarHBondContact O-CA 3.45Å; L170-V194 HydrophobicContact CD2-CB 4.28Å; L170-V194 HydrophobicContact CD2-CG1 3.91Å; L170-V194 HydrophobicContact CD2-CG2 3.61Å; V194-V196 HydrophobicContact CG1-CG2 3.78Å
195T90.3Very high79.7Confident6 Ų645.2 Ų45.24%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-116.5129.1173.7-57.20000109.8F4 W44 Y52 Y167 S168 S169F4-T195 HydrophobicContact CE2-CG2 3.73Å; F4-T195 WeakPolarHBondContact CE2-OG1 3.33Å; F4-T195 HydrophobicContact CZ-CG2 4.28Å; F4-T195 WeakPolarHBondContact CZ-OG1 3.25Å; W44-T195 HydrophobicContact CH2-CG2 4.42Å; W44-T195 HydrophobicContact CZ3-CG2 3.76Å; Y52-T195 HydrophobicContact CD2-CG2 4.49Å; Y52-T195 HydrophobicContact CE2-CG2 3.6Å; Y167-T195 HydrophobicContact CD1-CG2 4.03Å; Y167-T195 HydrophobicContact CE1-CG2 3.69Å; S168-T195 CarbonylContact C-O 3.57Å; S168-T195 WeakPolarHBondContact CA-O 3.28Å; S169-T195 PolarHBondContact N-O 3.1Å; S169-T195 PolarHBondContact O-N 2.95Å
196V90Very high80.3Confident4 Ų439 Ų392%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-137137.7179.7-166.20000110.4I162 S165 Y167 V194 L198I162-V196 HydrophobicContact CG1-CG2 4.2Å; I162-V196 HydrophobicContact CG2-CG1 4.5Å; I162-V196 HydrophobicContact CG2-CG2 3.96Å; S165-V196 VanDerWaalsContact CB-CG1 3.5Å; S165-V196 WeakPolarHBondContact OG-CG1 3.27Å; Y167-V196 CarbonylContact O-C 3.51Å; Y167-V196 VanDerWaalsContact O-CA 3.3Å; Y167-V196 WeakPolarHBondContact O-CA 3.2Å; V194-V196 HydrophobicContact CG1-CG2 3.78Å; V196-L198 HydrophobicContact CB-CG 4.44Å; V196-L198 HydrophobicContact CG1-CD2 3.58Å; V196-L198 HydrophobicContact CG1-CG 3.77Å
197V88.5Confident80.5Confident6 Ų636.4 Ų36.44%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-106.295172179.70000109.9W44 W49 S165 Y166 Y167W44-V197 HydrophobicContact CE3-CG2 4.07Å; W44-V197 HydrophobicContact CH2-CG2 4.16Å; W44-V197 HydrophobicContact CZ3-CG2 3.47Å; W44-V197 VanDerWaalsContact CZ3-CG2 3.47Å; W49-V197 HydrophobicContact CD2-CG1 4.32Å; W49-V197 HydrophobicContact CD2-CG2 4.1Å; W49-V197 HydrophobicContact CE3-CG2 3.82Å; W49-V197 HydrophobicContact CH2-CB 4.38Å; W49-V197 HydrophobicContact CH2-CG1 4.17Å; W49-V197 HydrophobicContact CH2-CG2 4.19Å; W49-V197 HydrophobicContact CZ2-CB 4.46Å; W49-V197 HydrophobicContact CZ2-CG1 3.76Å; W49-V197 HydrophobicContact CZ2-CG2 4.44Å; W49-V197 HydrophobicContact CZ3-CG2 3.83Å; S165-V197 WeakPolarHBondContact CB-O 3.41Å; Y166-V197 PolarHBondContact N-O 3.49Å; Y167-V197 HydrophobicContact CD1-CG2 4.27Å; Y167-V197 HydrophobicContact CG-CG2 4.38Å; Y167-V197 PolarHBondContact O-N 3.5Å
198L85.7Confident80.5Confident14 Ų1440.5 Ų40.57%0.07321%0.208CC..  trans-91.2142.7-179.7-61.9174.6000111.6M1 K161 V196 L210 F211M1-L198 PolarHBondContact N-O 3.16Å; M1-L198 PolarHBondContact O-N 2.86Å; K161-L198 WeakPolarHBondContact O-CD2 3.23Å; V196-L198 HydrophobicContact CB-CG 4.44Å; V196-L198 HydrophobicContact CG1-CD2 3.58Å; V196-L198 HydrophobicContact CG1-CG 3.77Å; L198-L210 HydrophobicContact CB-CD1 3.64Å; L198-L210 HydrophobicContact CB-CG 4.42Å; L198-L210 HydrophobicContact CD1-CD1 3.81Å; L198-L210 HydrophobicContact CD1-CD2 4.27Å; L198-L210 HydrophobicContact CD1-CG 3.65Å; L198-L210 HydrophobicContact CG-CD1 4.36Å; L198-F211 HydrophobicContact CD1-CD1 4.2Å; L198-F211 HydrophobicContact CD1-CE1 3.64Å; L198-F211 HydrophobicContact CD1-CZ 3.77Å
199D80Confident80.4Confident77 Ų7744 Ų4441%0.41223%0.229SC..  trans-75.5142.4171.4-146-23000111.3Y166Y166-D199 HydrophobicContact CE2-CB 4.28Å
200N77Confident80.1Confident15 Ų1543.6 Ų43.68%0.0823%0.228CC..  trans-135.255.1177.6-172.87.2000109.6K202 N203 S205 I269N200-K202 VanDerWaalsContact C-N 3.26Å; N200-K202 PolarHBondContact O-N 2.73Å; N200-N203 PolarHBondContact O-N 2.6Å; N200-S205 WeakPolarHBondContact OD1-CB 3.37Å; N200-S205 PolarHBondContact OD1-OG 2.95Å; N200-I269 PolarHBondContact ND2-O 2.68Å
201D67.3Low79.9Confident131 Ų13143.5 Ų43.570%0.70123%0.227SC*.THydrogen-bonded Turntrans-57.6-36.6-178.8-72.5-40.5000113.4N203D201-N203 PolarHBondContact O-N 2.86Å
202K67.1Low79.5Confident177 Ų17743.3 Ų43.377%0.7723%0.234SC*.THydrogen-bonded Turntrans-76.8-3.5-171.1-67.2-171.3178.3-175.50114.2N200 D204N200-K202 VanDerWaalsContact C-N 3.26Å; N200-K202 PolarHBondContact O-N 2.73Å; K202-D204 PolarHBondContact O-N 3.46Å
203N65.2Low78.9Confident73 Ų7343.6 Ų43.639%0.3924%0.236SC..SBendtrans55.2-13.4-176.6-9414.1000116.8N200 D201 A271N200-N203 PolarHBondContact O-N 2.6Å; D201-N203 PolarHBondContact O-N 2.86Å; N203-A271 HydrophobicContact CB-CB 4.3Å; N203-A271 WeakPolarHBondContact OD1-CB 3.01Å
204D63.8Low78.2Confident119 Ų11944.4 Ų44.464%0.63625%0.247SC*.  trans-115.419.7-178.2-65.4-24.9000112.2K202 N206 T268K202-D204 PolarHBondContact O-N 3.46Å; D204-N206 PolarHBondContact O-N 3.39Å; D204-N206 VanDerWaalsContact O-N 3.17Å; D204-T268 HydrophobicContact CB-CG2 4.25Å
205S70.1Confident77.6Confident14 Ų1444.8 Ų44.810%0.09825%0.248CC..  trans-66.1121.4-177.8-57.40000110.9N200 T209 I269N200-S205 WeakPolarHBondContact OD1-CB 3.37Å; N200-S205 PolarHBondContact OD1-OG 2.95Å; S205-T209 VanDerWaalsContact CA-OG1 3.29Å; S205-T209 WeakPolarHBondContact CA-OG1 3.42Å; S205-T209 WeakPolarHBondContact CB-OG1 3.26Å; S205-I269 VanDerWaalsContact O-CB 3.3Å; S205-I269 WeakPolarHBondContact O-CB 3.42Å; S205-I269 WeakPolarHBondContact O-CG1 3.45Å; S205-I269 PolarHBondContact O-N 3.07Å
206N76.4Confident77.1Confident34 Ų3452.9 Ų52.918%0.18228%0.283CS..  trans-85.7176.3163.965.64.4000111.1D204 L208 T209 L210 T265D204-N206 PolarHBondContact O-N 3.39Å; D204-N206 VanDerWaalsContact O-N 3.17Å; N206-L208 VanDerWaalsContact C-N 3.27Å; N206-L208 PolarHBondContact O-N 2.91Å; N206-L208 PolarHBondContact OD1-N 2.89Å; N206-T209 PolarHBondContact N-OG1 3.43Å; N206-T209 PolarHBondContact O-N 2.98Å; N206-T209 PolarHBondContact O-OG1 2.63Å; N206-T209 WeakPolarHBondContact OD1-CB 3.46Å; N206-T209 VanDerWaalsContact OD1-CG2 3.23Å; N206-T209 WeakPolarHBondContact OD1-CG2 3.06Å; N206-T209 PolarHBondContact OD1-N 2.79Å; N206-T209 PolarHBondContact OD1-OG1 3.02Å; N206-L210 WeakPolarHBondContact O-CB 3.33Å; N206-L210 PolarHBondContact O-N 2.88Å; N206-T265 WeakPolarHBondContact CB-O 2.92Å; N206-T265 PolarHBondContact ND2-O 2.84Å
207M75.2Confident76.8Confident14 Ų1457.5 Ų57.57%0.06930%0.304CS..Hα-helixtrans-54.1-43.2178-168.870.470.500112.6F3 L156 T209 L210 F211 W261F3-M207 HydrophobicContact CE2-CE 3.99Å; F3-M207 HydrophobicContact CE2-SD 4.04Å; F3-M207 HydrophobicContact CZ-CE 3.9Å; F3-M207 HydrophobicContact CZ-SD 3.97Å; L156-M207 HydrophobicContact CD1-CE 4.14Å; L156-M207 HydrophobicContact CD1-CG 4.27Å; L156-M207 HydrophobicContact CD1-SD 3.52Å; L156-M207 VanDerWaalsContact CD1-SD 3.52Å; L156-M207 HydrophobicContact CD2-CG 3.58Å; L156-M207 HydrophobicContact CD2-SD 3.9Å; L156-M207 HydrophobicContact CG-SD 4.31Å; M207-T209 PolarHBondContact O-N 2.95Å; M207-L210 PolarHBondContact O-N 3.4Å; M207-F211 HydrophobicContact CG-CD2 4.03Å; M207-F211 WeakPolarHBondContact O-CB 3.36Å; M207-F211 PolarHBondContact O-N 2.99Å; M207-F211 HydrophobicContact SD-CD2 3.2Å; M207-F211 WeakPolarHBondContact SD-CD2 3.18Å; M207-F211 HydrophobicContact SD-CE2 3.38Å; M207-F211 WeakPolarHBondContact SD-CE2 3.36Å; M207-F211 HydrophobicContact SD-CG 4.3Å; M207-W261 HydrophobicContact CE-CZ2 4.49Å
208L77.8Confident76.5Confident88 Ų8858.6 Ų58.646%0.46131%0.314SS..Hα-helixtrans-64.3-41.5-177.2-171.472.8000112N206 G212N206-L208 VanDerWaalsContact C-N 3.27Å; N206-L208 PolarHBondContact O-N 2.91Å; N206-L208 PolarHBondContact OD1-N 2.89Å; L208-G212 CarbonylContact O-C 2.99Å; L208-G212 WeakPolarHBondContact O-CA 3.42Å; L208-G212 PolarHBondContact O-N 2.97Å
209T80.9Confident76.5Confident76 Ų7658.6 Ų58.647%0.46632%0.315SS..Hα-helixtrans-72.8-38.9178.350.20000111.8S205 N206 M207S205-T209 VanDerWaalsContact CA-OG1 3.29Å; S205-T209 WeakPolarHBondContact CA-OG1 3.42Å; S205-T209 WeakPolarHBondContact CB-OG1 3.26Å; N206-T209 PolarHBondContact N-OG1 3.43Å; N206-T209 PolarHBondContact O-N 2.98Å; N206-T209 PolarHBondContact O-OG1 2.63Å; N206-T209 WeakPolarHBondContact OD1-CB 3.46Å; N206-T209 VanDerWaalsContact OD1-CG2 3.23Å; N206-T209 WeakPolarHBondContact OD1-CG2 3.06Å; N206-T209 PolarHBondContact OD1-N 2.79Å; N206-T209 PolarHBondContact OD1-OG1 3.02Å; M207-T209 PolarHBondContact O-N 2.95Å
210L81Confident76.7Confident9 Ų960 Ų605%0.04734%0.337CS..Hα-helixtrans-69.8-48.9-178.8-170.262000112.1M1 L198 N206 M207 I269M1-L210 HydrophobicContact SD-CD2 3.6Å; M1-L210 VanDerWaalsContact SD-CD2 3.6Å; L198-L210 HydrophobicContact CB-CD1 3.64Å; L198-L210 HydrophobicContact CB-CG 4.42Å; L198-L210 HydrophobicContact CD1-CD1 3.81Å; L198-L210 HydrophobicContact CD1-CD2 4.27Å; L198-L210 HydrophobicContact CD1-CG 3.65Å; L198-L210 HydrophobicContact CG-CD1 4.36Å; N206-L210 WeakPolarHBondContact O-CB 3.33Å; N206-L210 PolarHBondContact O-N 2.88Å; M207-L210 PolarHBondContact O-N 3.4Å; L210-I269 HydrophobicContact CB-CD1 4.48Å; L210-I269 HydrophobicContact CD2-CD1 3.66Å
211F82.3Confident77Confident2 Ų263.3 Ų63.31%0.00935%0.354CS..Hα-helixtrans-98-8.6-177.1-68.8-78.4000114.6F3 L156 K161 L198 M207 S213F3-F211 HydrophobicContact CB-CE1 4.39Å; F3-F211 HydrophobicContact CB-CZ 3.76Å; F3-F211 HydrophobicContact CD1-CE1 4.14Å; F3-F211 HydrophobicContact CD1-CE2 4.39Å; F3-F211 AromaticContact CD1-CZ 3.61Å; F3-F211 HydrophobicContact CD1-CZ 3.61Å; F3-F211 HydrophobicContact CD2-CE1 4.45Å; F3-F211 AromaticContact CD2-CE2 3.56Å; F3-F211 HydrophobicContact CD2-CE2 3.56Å; F3-F211 AromaticContact CD2-CZ 3.26Å; F3-F211 HydrophobicContact CD2-CZ 3.26Å; F3-F211 HydrophobicContact CE1-CE1 4.49Å; F3-F211 HydrophobicContact CE1-CE2 4.29Å; F3-F211 AromaticContact CE1-CZ 3.89Å; F3-F211 HydrophobicContact CE1-CZ 3.89Å; F3-F211 AromaticContact CE2-CE2 3.41Å; F3-F211 HydrophobicContact CE2-CE2 3.41Å; F3-F211 VanDerWaalsContact CE2-CE2 3.41Å; F3-F211 AromaticContact CE2-CZ 3.56Å; F3-F211 HydrophobicContact CE2-CZ 3.56Å; F3-F211 HydrophobicContact CG-CE1 4.11Å; F3-F211 HydrophobicContact CG-CE2 4.04Å; F3-F211 AromaticContact CG-CZ 3.27Å; F3-F211 HydrophobicContact CG-CZ 3.27Å; F3-F211 AromaticContact CZ-CE2 3.8Å; F3-F211 HydrophobicContact CZ-CE2 3.8Å; F3-F211 AromaticContact CZ-CZ 3.86Å; F3-F211 HydrophobicContact CZ-CZ 3.86Å; L156-F211 HydrophobicContact CB-CB 4.17Å; L156-F211 HydrophobicContact CB-CD1 3.97Å; L156-F211 HydrophobicContact CB-CD2 4.47Å; L156-F211 HydrophobicContact CB-CG 3.91Å; L156-F211 HydrophobicContact CD2-CB 4.36Å; L156-F211 WeakPolarHBondContact O-CD1 3.34Å; K161-F211 WeakPolarHBondContact CG-O 3.45Å; L198-F211 HydrophobicContact CD1-CD1 4.2Å; L198-F211 HydrophobicContact CD1-CE1 3.64Å; L198-F211 HydrophobicContact CD1-CZ 3.77Å; M207-F211 HydrophobicContact CG-CD2 4.03Å; M207-F211 WeakPolarHBondContact O-CB 3.36Å; M207-F211 PolarHBondContact O-N 2.99Å; M207-F211 HydrophobicContact SD-CD2 3.2Å; M207-F211 WeakPolarHBondContact SD-CD2 3.18Å; M207-F211 HydrophobicContact SD-CE2 3.38Å; M207-F211 WeakPolarHBondContact SD-CE2 3.36Å; M207-F211 HydrophobicContact SD-CG 4.3Å; F211-S213 PolarHBondContact O-N 3.08Å
212G79.4Confident77.8Confident28 Ų2858.4 Ų58.429%0.28933%0.332SS..SBendtrans70.32.2-173.500000114R158 L208R158-G212 PolarHBondContact NH1-O 3.24Å; L208-G212 CarbonylContact O-C 2.99Å; L208-G212 WeakPolarHBondContact O-CA 3.42Å; L208-G212 PolarHBondContact O-N 2.97Å
213S78.1Confident78.6Confident9 Ų956.8 Ų56.86%0.06334%0.337CS..SBendtrans-147.2152.4176.450.90000111.4A155 L156 F211A155-S213 PolarHBondContact O-OG 3.35Å; A155-S213 VanDerWaalsContact O-OG 3.1Å; L156-S213 WeakPolarHBondContact CD2-O 3.41Å; F211-S213 PolarHBondContact O-N 3.08Å
214G76.1Confident79.4Confident29 Ų2956.2 Ų56.230%0.29934%0.338SS..  trans-95163.7164.700000110.7
215M78.4Confident80.4Confident15 Ų1551.3 Ų51.37%0.07431%0.313CS..  trans-92.9130.4170.4-178.4170.470.200109G152 L153 L156 E217 S258 A262G152-M215 VanDerWaalsContact CA-SD 3.57Å; G152-M215 VanDerWaalsContact O-SD 3.37Å; L153-M215 HydrophobicContact CD2-CE 4.44Å; L153-M215 HydrophobicContact CD2-SD 4.12Å; L156-M215 HydrophobicContact CD2-CB 4.33Å; M215-E217 WeakPolarHBondContact CG-O 3.3Å; M215-S258 VanDerWaalsContact CE-C 3.44Å; M215-S258 WeakPolarHBondContact CE-O 3.24Å; M215-A262 HydrophobicContact CB-CB 4.4Å; M215-A262 HydrophobicContact CE-CB 3.64Å; M215-A262 HydrophobicContact CG-CB 4.36Å
216K79.6Confident81.1Confident176 Ų17652.5 Ų52.577%0.76532%0.32SS*.  trans-82-46.5-179.2-66.5-177.9178.9-179.80112.3
217E82.7Confident81.5Confident101 Ų10151.4 Ų51.447%0.47232%0.315SS..SBendtrans-148.5155.4-177.6-74.6166.4-133.300109.5R151 G152 M215R151-E217 IonicContact CZ-OE1 3Å; R151-E217 VanDerWaalsContact CZ-OE1 3.31Å; R151-E217 IonicContact CZ-OE2 2.78Å; R151-E217 IonicContact NE-OE2 2.95Å; R151-E217 IonicContact NH1-OE1 3.73Å; R151-E217 PolarHBondContact NH1-OE1 3.42Å; R151-E217 IonicContact NH1-OE2 3.72Å; R151-E217 PolarHBondContact NH1-OE2 3.01Å; R151-E217 IonicContact NH2-OE1 3.7Å; R151-E217 PolarHBondContact NH2-OE1 2.82Å; R151-E217 VanDerWaalsContact NH2-OE1 3.09Å; R151-E217 IonicContact NH2-OE2 3.18Å; R151-E217 PolarHBondContact NH2-OE2 3.16Å; G152-E217 PolarHBondContact N-O 3.3Å; M215-E217 WeakPolarHBondContact CG-O 3.3Å
218A82.6Confident82Confident29 Ų2952.7 Ų52.724%0.2432%0.322CS..  trans-70.4163.5170.500000111.8A220 A259A218-A220 PolarHBondContact O-N 2.59Å; A218-A259 HydrophobicContact CB-CB 3.82Å
219C85Confident82.1Confident15 Ų1548.8 Ų48.810%0.10130%0.301CS..  trans-74.5110.8175.7172.70000109.9C147 I221 A222C147-C219 HydrophobicContact CB-CB 3.74Å; C147-C219 WeakPolarHBondContact CB-SG 3.24Å; C147-C219 WeakPolarHBondContact SG-CA 3.45Å; C147-C219 WeakPolarHBondContact SG-CB 3.45Å; C147-C219 CovalentContact SG-SG 2.02Å; C147-C219 PolarHBondContact SG-SG 3.06Å; C219-I221 PolarHBondContact O-N 3.23Å; C219-I221 VanDerWaalsContact O-N 3.15Å; C219-A222 HydrophobicContact CB-CB 4.04Å; C219-A222 WeakPolarHBondContact O-CB 3.33Å; C219-A222 PolarHBondContact O-N 2.92Å
220A83.9Confident82Confident105 Ų10547 Ų4787%0.86829%0.287SS*.THydrogen-bonded Turntrans-62.8-21.6-176.500000114.4A218A218-A220 PolarHBondContact O-N 2.59Å
221I83.9Confident81.8Confident86 Ų8646.9 Ų46.944%0.44129%0.286SS..THydrogen-bonded Turntrans-83.2-19.9179.5-59.2170.6000111.3L18 P146 C219L18-I221 HydrophobicContact CD2-CG2 3.19Å; P146-I221 HydrophobicContact CB-CD1 4.07Å; P146-I221 HydrophobicContact CB-CG2 4.38Å; C219-I221 PolarHBondContact O-N 3.23Å; C219-I221 VanDerWaalsContact O-N 3.15Å
222A84Confident81.3Confident28 Ų2848.8 Ų48.823%0.23130%0.299CS..  trans-76.9130-175.600000111.2C219 S224C219-A222 HydrophobicContact CB-CB 4.04Å; C219-A222 WeakPolarHBondContact O-CB 3.33Å; C219-A222 PolarHBondContact O-N 2.92Å; A222-S224 VanDerWaalsContact C-N 3.31Å
223T83.5Confident80.6Confident143 Ų14356.5 Ų56.588%0.87732%0.319SS*.SBendtrans-67.8-32.2173.9-47.10000112.3
224S83.3Confident79.9Confident60 Ų6065.1 Ų65.142%0.4236%0.356SS..  trans-143.4146.9173.967.70000110.4A222A222-S224 VanDerWaalsContact C-N 3.31Å
225S85.3Confident79Confident16 Ų1665.5 Ų65.511%0.11236%0.36CS..  trans-147.998.5175.6-167.90000109.5S258S225-S258 WeakPolarHBondContact CB-OG 3.38Å; S225-S258 WeakPolarHBondContact O-CB 3.43Å; S225-S258 PolarHBondContact O-N 2.85Å; S225-S258 VanDerWaalsContact OG-CB 3.29Å; S225-S258 WeakPolarHBondContact OG-CB 3.24Å; S225-S258 PolarHBondContact OG-OG 2.92Å
226V84.7Confident77.9Confident40 Ų4067.2 Ų67.224%0.24237%0.369CS..EExtended strand (participates in β ladder)trans-118.3139.1-169.4-179.30000110.7A255 L256 M420V226-A255 HydrophobicContact CG1-CB 3.77Å; V226-L256 CarbonylContact C-O 3.56Å; V226-L256 WeakPolarHBondContact CA-O 3.35Å; V226-M420 HydrophobicContact CB-CE 4.38Å; V226-M420 HydrophobicContact CB-CG 4.47Å; V226-M420 HydrophobicContact CB-SD 4.35Å; V226-M420 HydrophobicContact CG1-CE 4.43Å; V226-M420 HydrophobicContact CG1-CG 4.49Å; V226-M420 HydrophobicContact CG1-SD 3.97Å
227V84.3Confident76.6Confident10 Ų1063 Ų636%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-105.8116169.2-1790000108L153 L229 L256L153-V227 HydrophobicContact CD2-CG2 3.83Å; V227-L229 HydrophobicContact CG1-CD2 4.17Å; V227-L229 HydrophobicContact CG1-CG 4.19Å; V227-L256 PolarHBondContact N-O 3.13Å; V227-L256 PolarHBondContact O-N 3.47Å
228L84.2Confident75.5Confident41 Ų4167.5 Ų67.522%0.21537%0.371CS..EExtended strand (participates in β ladder)trans-98.3124.5177.5-176.964.1000110.3F253 A255 F411 V414 L415 F418 M420L228-F253 HydrophobicContact CD1-CB 4.1Å; L228-F253 HydrophobicContact CD1-CD1 4.41Å; L228-F253 HydrophobicContact CG-CD1 4.45Å; L228-A255 HydrophobicContact CD1-CB 4.26Å; L228-F411 HydrophobicContact CD2-CE1 4.27Å; L228-F411 HydrophobicContact CD2-CZ 3.69Å; L228-V414 HydrophobicContact CD2-CG1 4.27Å; L228-L415 HydrophobicContact CD2-CD2 4.02Å; L228-F418 HydrophobicContact CD1-CD2 3.63Å; L228-F418 HydrophobicContact CD1-CE2 3.44Å; L228-F418 VanDerWaalsContact CD1-CE2 3.44Å; L228-F418 HydrophobicContact CD1-CZ 4.27Å; L228-M420 HydrophobicContact CB-CE 4.18Å; L228-M420 HydrophobicContact CB-SD 4.02Å; L228-M420 HydrophobicContact CD2-SD 4.19Å
229L80.8Confident74.4Confident7 Ų766.2 Ų66.24%0.03736%0.36CS..EExtended strand (participates in β ladder)trans-119.5133.2-180-63.3173.4000111.4M1 V227 F253 V254 L256 W261M1-L229 HydrophobicContact CE-CD2 4.32Å; V227-L229 HydrophobicContact CG1-CD2 4.17Å; V227-L229 HydrophobicContact CG1-CG 4.19Å; L229-F253 WeakPolarHBondContact O-CA 3.47Å; L229-V254 PolarHBondContact N-O 2.86Å; L229-V254 PolarHBondContact O-N 2.96Å; L229-L256 HydrophobicContact CD1-CD1 4.16Å; L229-W261 HydrophobicContact CD1-CE3 4.2Å; L229-W261 HydrophobicContact CD1-CH2 3.18Å; L229-W261 HydrophobicContact CD1-CZ2 4.09Å; L229-W261 HydrophobicContact CD1-CZ3 3.25Å
230K79.4Confident73Confident37 Ų3768.3 Ų68.316%0.16137%0.368CS..EExtended strand (participates in β ladder)trans-85.6117.4167.8-177.6175.5-178.61720109.4H251 F253 V274 V276K230-H251 VanDerWaalsContact CE-ND1 3.26Å; K230-H251 WeakPolarHBondContact CE-ND1 3.36Å; K230-H251 PolarHBondContact NZ-CD2 3.08Å; K230-H251 PolarHBondContact NZ-CE1 3.44Å; K230-H251 VanDerWaalsContact NZ-CE1 3.35Å; K230-H251 PolarHBondContact NZ-ND1 3.18Å; K230-H251 PolarHBondContact NZ-NE2 2.84Å; K230-F253 HydrophobicContact CB-CD1 4.15Å; K230-F253 HydrophobicContact CB-CE1 3.77Å; K230-F253 HydrophobicContact CD-CE1 4.29Å; K230-F253 HydrophobicContact CD-CZ 4.27Å; K230-F253 HydrophobicContact CG-CE1 3.95Å; K230-F253 HydrophobicContact CG-CZ 4.2Å; K230-V274 PolarHBondContact NZ-O 3.04Å; K230-V276 HydrophobicContact CD-CG2 3.55Å
231M75.7Confident72.1Confident8 Ų871.7 Ų71.74%0.03936%0.363CS..EExtended strand (participates in β ladder)trans-85.5146.9178.7-63.2-60.2-68.100111.7D236 L239 H252 V254 P270M231-D236 HydrophobicContact CE-CB 4.19Å; M231-L239 HydrophobicContact CE-CB 3.52Å; M231-L239 HydrophobicContact CE-CD1 3.74Å; M231-L239 HydrophobicContact CE-CG 4.27Å; M231-L239 HydrophobicContact SD-CB 4.01Å; M231-L239 HydrophobicContact SD-CD1 3.82Å; M231-H252 HydrophobicContact CB-CB 4.03Å; M231-H252 WeakPolarHBondContact CB-O 3.26Å; M231-H252 PolarHBondContact N-O 2.77Å; M231-V254 HydrophobicContact CG-CB 4.5Å; M231-V254 HydrophobicContact CG-CG2 3.61Å; M231-V254 HydrophobicContact SD-CG2 4.32Å; M231-P270 HydrophobicContact CE-CG 4.39Å; M231-P270 HydrophobicContact SD-CG 4.09Å
232P72.1Confident71.2Confident42 Ų4269.8 Ų69.827%0.27335%0.353SS..PPolyproline II helixtrans-66.9152.9171.727.8-32.6000110.4K234 P270P232-K234 VanDerWaalsContact C-N 3.27Å; P232-K234 PolarHBondContact O-N 2.85Å; P232-P270 VanDerWaalsContact CD-CB 3.48Å; P232-P270 HydrophobicContact CG-CB 3.97Å; P232-P270 HydrophobicContact CG-CG 4.44Å
233R66.2Low70.6Confident189 Ų18969.6 Ų69.671%0.71335%0.354SS*.SBendtrans-60.8-34.3179.2-72.2-175.1177.9171.11.5112.8G235R233-G235 PolarHBondContact O-N 3.38Å
234K63.2Low70.4Confident191 Ų19165.7 Ų65.783%0.8334%0.336SS*.SBendtrans-87.3101.7170.2-70-174.3178.8-177.10107.4P232 D236P232-K234 VanDerWaalsContact C-N 3.27Å; P232-K234 PolarHBondContact O-N 2.85Å; K234-D236 PolarHBondContact O-N 3.18Å
235G56.3Low70.2Confident37 Ų3769.1 Ų69.138%0.38134%0.34SS..  trans-65.5121.7-166.100000113.5R233 V237R233-G235 PolarHBondContact O-N 3.38Å; G235-V237 PolarHBondContact O-N 3.21Å; G235-V237 VanDerWaalsContact O-N 3.11Å
236D55.8Low70Confident50 Ų5069.5 Ų69.527%0.26734%0.341SS..  trans-67.8103.6153.2-168.7-8.8000107.5M231 K234 R238M231-D236 HydrophobicContact CE-CB 4.19Å; K234-D236 PolarHBondContact O-N 3.18Å; D236-R238 PolarHBondContact O-N 3.43Å; D236-R238 PolarHBondContact OD1-N 3.13Å
237V52.4Low69.8Low89 Ų8972.1 Ų72.154%0.53936%0.357SS..Hα-helixtrans-63.7-21.1-174.1-179.60000111.3G235 Q240G235-V237 PolarHBondContact O-N 3.21Å; G235-V237 VanDerWaalsContact O-N 3.11Å; V237-Q240 WeakPolarHBondContact O-CB 3.34Å; V237-Q240 PolarHBondContact O-N 3.3Å
238R58.5Low69.5Low195 Ų19572.1 Ų72.174%0.73636%0.356SS*.Hα-helixtrans-64.1-48-177.8-68.1-177.1175.5-1740.4112.3D236 Q240 I242D236-R238 PolarHBondContact O-N 3.43Å; D236-R238 PolarHBondContact OD1-N 3.13Å; R238-Q240 VanDerWaalsContact C-N 3.32Å; R238-Q240 PolarHBondContact O-N 3.48Å; R238-I242 VanDerWaalsContact O-CD1 3.32Å; R238-I242 WeakPolarHBondContact O-CD1 3.47Å
239L59.1Low69.1Low1 Ų175.1 Ų75.11%0.00537%0.365CS..Hα-helixtrans-73.6-24.5-179.8-78.4168.7000113M231 K241 L256 W261 H267 P270M231-L239 HydrophobicContact CE-CB 3.52Å; M231-L239 HydrophobicContact CE-CD1 3.74Å; M231-L239 HydrophobicContact CE-CG 4.27Å; M231-L239 HydrophobicContact SD-CB 4.01Å; M231-L239 HydrophobicContact SD-CD1 3.82Å; L239-K241 VanDerWaalsContact C-N 3.32Å; L239-K241 PolarHBondContact O-N 3.48Å; L239-L256 HydrophobicContact CD2-CD1 4.47Å; L239-W261 HydrophobicContact CD2-CH2 3.98Å; L239-W261 HydrophobicContact CD2-CZ3 3.8Å; L239-H267 HydrophobicContact CD2-CB 4.12Å; L239-P270 HydrophobicContact CD1-CG 4.29Å
240Q57.3Low68.9Low59 Ų5977 Ų7728%0.27639%0.385SS..Hα-helixtrans-56.5-46.3-179.5-73.5-175.331.300110.9V237 R238 I242 R245V237-Q240 WeakPolarHBondContact O-CB 3.34Å; V237-Q240 PolarHBondContact O-N 3.3Å; R238-Q240 VanDerWaalsContact C-N 3.32Å; R238-Q240 PolarHBondContact O-N 3.48Å; Q240-I242 PolarHBondContact O-N 3.31Å; Q240-R245 VanDerWaalsContact C-CZ 3.46Å; Q240-R245 PolarHBondContact O-NE 3.03Å; Q240-R245 PolarHBondContact O-NH2 2.9Å
241K63.2Low68.9Low176 Ų17676 Ų7677%0.76538%0.381SS*.THydrogen-bonded Turntrans-70.8-4-168.8-67.8-174179-177.70116.5L239L239-K241 VanDerWaalsContact C-N 3.32Å; L239-K241 PolarHBondContact O-N 3.48Å
242I66.2Low69.1Low47 Ų4780 Ų8024%0.24140%0.399CS..THydrogen-bonded Turntrans-111.1-20.5-157.8-54.3162.1000114.1R238 Q240 L256 R264R238-I242 VanDerWaalsContact O-CD1 3.32Å; R238-I242 WeakPolarHBondContact O-CD1 3.47Å; Q240-I242 PolarHBondContact O-N 3.31Å; I242-L256 HydrophobicContact CB-CD2 3.99Å; I242-L256 HydrophobicContact CG2-CD2 3.68Å; I242-R264 VanDerWaalsContact CD1-NH1 3.26Å
243G71.6Confident69.6Low23 Ų2378.1 Ų78.124%0.23739%0.387CS..SBendtrans-136170.6-173.200000115.1A255G243-A255 WeakPolarHBondContact CA-O 3.29Å
244A79.5Confident70.4Confident61 Ų6169.3 Ų69.350%0.50435%0.354SS..EExtended strand (participates in β ladder)trans-63.4138.617100000109.5V254 A255 F418A244-V254 WeakPolarHBondContact O-CA 3.23Å; A244-A255 PolarHBondContact N-O 3.23Å; A244-A255 PolarHBondContact O-N 3.27Å; A244-F418 HydrophobicContact CB-CD1 4.2Å; A244-F418 HydrophobicContact CB-CE1 3.81Å; A244-F418 WeakPolarHBondContact O-CE1 3.44Å
245R78.3Confident71.4Confident132 Ų13260.7 Ų60.750%0.49832%0.319SS..EExtended strand (participates in β ladder)trans-121.2141.7-172.3-60.6-170.1-163.1168.420.1111.8Q240 F253 V254Q240-R245 VanDerWaalsContact C-CZ 3.46Å; Q240-R245 PolarHBondContact O-NE 3.03Å; Q240-R245 PolarHBondContact O-NH2 2.9Å; R245-F253 WeakPolarHBondContact CA-O 3.15Å; R245-V254 HydrophobicContact CG-CG2 4.45Å
246T82.4Confident72.7Confident24 Ų2459.2 Ų59.215%0.14730%0.302CS..EExtended strand (participates in β ladder)trans-136.9153.4167.161.10000109.5F253 N417 F418T246-F253 PolarHBondContact N-O 2.91Å; T246-F253 VanDerWaalsContact N-O 3.12Å; T246-F253 PolarHBondContact O-N 2.99Å; T246-N417 HydrophobicContact CG2-CB 3.79Å; T246-F418 HydrophobicContact CG2-CE1 3.84Å; T246-F418 HydrophobicContact CG2-CE2 3.91Å; T246-F418 HydrophobicContact CG2-CZ 3.51Å; T246-F418 WeakPolarHBondContact OG1-CE2 3.37Å; T246-F418 WeakPolarHBondContact OG1-CZ 3.47Å
247V80.2Confident74.1Confident95 Ų9560.1 Ų60.158%0.57631%0.307SS*.EExtended strand (participates in β ladder)trans-115.1128.6174.3-176.40000107.4H251 H252V247-H251 WeakPolarHBondContact CA-O 3.28Å; V247-H252 WeakPolarHBondContact CG2-ND1 3.18Å
248Y78.2Confident75.6Confident10 Ų1055.9 Ų55.94%0.03928%0.281CS..EExtended strand (participates in β ladder)trans-137.8123.3179.7173.7-100.5000109.6G250 H251 F253 V276 D277 E409 S410 F411 S413 V414Y248-G250 PolarHBondContact O-N 3.45Å; Y248-G250 VanDerWaalsContact O-N 3.16Å; Y248-H251 PolarHBondContact N-O 3.25Å; Y248-H251 WeakPolarHBondContact O-CA 3.49Å; Y248-H251 WeakPolarHBondContact O-CB 3.34Å; Y248-H251 PolarHBondContact O-N 3.01Å; Y248-F253 HydrophobicContact CD1-CE2 4.14Å; Y248-F253 HydrophobicContact CG-CE2 4.46Å; Y248-V276 HydrophobicContact CD1-CG1 3.57Å; Y248-V276 HydrophobicContact CE1-CG1 3.47Å; Y248-V276 VanDerWaalsContact CE1-CG1 3.47Å; Y248-D277 PolarHBondContact OH-OD1 2.92Å; Y248-D277 PolarHBondContact OH-OD2 2.89Å; Y248-E409 HydrophobicContact CE2-CB 3.81Å; Y248-E409 PolarHBondContact OH-O 3.29Å; Y248-S410 VanDerWaalsContact OH-C 3.23Å; Y248-S410 PolarHBondContact OH-N 3.28Å; Y248-F411 PolarHBondContact OH-N 3.27Å; Y248-S413 WeakPolarHBondContact CE2-OG 3.42Å; Y248-V414 VanDerWaalsContact CB-CG2 3.43Å; Y248-V414 HydrophobicContact CD1-CG2 3.86Å; Y248-V414 HydrophobicContact CD2-CG2 3.81Å; Y248-V414 HydrophobicContact CG-CG2 3.42Å; Y248-V414 VanDerWaalsContact CG-CG2 3.42Å
249R75.1Confident76.7Confident105 Ų10548.1 Ų48.140%0.39626%0.259SS..THydrogen-bonded Turntrans47.740.3-175-66.4-175.2162.9-175.1-9.4114.2H251 D277R249-H251 PolarHBondContact O-N 3.43Å; R249-D277 IonicContact CZ-OD1 3.7Å; R249-D277 IonicContact NE-OD1 2.78Å; R249-D277 IonicContact NH1-OD1 2.85Å; R249-D277 PolarHBondContact NH1-OD1 3.2Å
250G75.9Confident77.6Confident45 Ų4553 Ų5346%0.46428%0.281SS..THydrogen-bonded Turntrans69.313.8-177.900000114.7Y248Y248-G250 PolarHBondContact O-N 3.45Å; Y248-G250 VanDerWaalsContact O-N 3.16Å
251H78.9Confident78.6Confident16 Ų1650.9 Ų50.97%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-104.8134.6170.1-64.5-66.7000110.1K230 V247 Y248 R249 F253K230-H251 VanDerWaalsContact CE-ND1 3.26Å; K230-H251 WeakPolarHBondContact CE-ND1 3.36Å; K230-H251 PolarHBondContact NZ-CD2 3.08Å; K230-H251 PolarHBondContact NZ-CE1 3.44Å; K230-H251 VanDerWaalsContact NZ-CE1 3.35Å; K230-H251 PolarHBondContact NZ-ND1 3.18Å; K230-H251 PolarHBondContact NZ-NE2 2.84Å; V247-H251 WeakPolarHBondContact CA-O 3.28Å; Y248-H251 PolarHBondContact N-O 3.25Å; Y248-H251 WeakPolarHBondContact O-CA 3.49Å; Y248-H251 WeakPolarHBondContact O-CB 3.34Å; Y248-H251 PolarHBondContact O-N 3.01Å; R249-H251 PolarHBondContact O-N 3.43Å; H251-F253 HydrophobicContact CB-CE2 3.8Å; H251-F253 HydrophobicContact CB-CZ 4.27Å; H251-F253 WeakPolarHBondContact O-CD2 3.32Å
252H80.7Confident79.2Confident92 Ų9243.3 Ų43.343%0.42624%0.241SC..EExtended strand (participates in β ladder)trans-86.8131.9176.1-64.7-81.8000109.9M231 V247M231-H252 HydrophobicContact CB-CB 4.03Å; M231-H252 WeakPolarHBondContact CB-O 3.26Å; M231-H252 PolarHBondContact N-O 2.77Å; V247-H252 WeakPolarHBondContact CG2-ND1 3.18Å
253F83Confident79.6Confident4 Ų449.7 Ų49.72%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-116139.5173.2-67.2-89.1000109.8L228 L229 K230 R245 T246 Y248 H251 V276 F411 V414 F418L228-F253 HydrophobicContact CD1-CB 4.1Å; L228-F253 HydrophobicContact CD1-CD1 4.41Å; L228-F253 HydrophobicContact CG-CD1 4.45Å; L229-F253 WeakPolarHBondContact O-CA 3.47Å; K230-F253 HydrophobicContact CB-CD1 4.15Å; K230-F253 HydrophobicContact CB-CE1 3.77Å; K230-F253 HydrophobicContact CD-CE1 4.29Å; K230-F253 HydrophobicContact CD-CZ 4.27Å; K230-F253 HydrophobicContact CG-CE1 3.95Å; K230-F253 HydrophobicContact CG-CZ 4.2Å; R245-F253 WeakPolarHBondContact CA-O 3.15Å; T246-F253 PolarHBondContact N-O 2.91Å; T246-F253 VanDerWaalsContact N-O 3.12Å; T246-F253 PolarHBondContact O-N 2.99Å; Y248-F253 HydrophobicContact CD1-CE2 4.14Å; Y248-F253 HydrophobicContact CG-CE2 4.46Å; H251-F253 HydrophobicContact CB-CE2 3.8Å; H251-F253 HydrophobicContact CB-CZ 4.27Å; H251-F253 WeakPolarHBondContact O-CD2 3.32Å; F253-V276 HydrophobicContact CE1-CG2 4.38Å; F253-V276 HydrophobicContact CZ-CG1 4.15Å; F253-V276 HydrophobicContact CZ-CG2 3.77Å; F253-F411 HydrophobicContact CD1-CE2 4.25Å; F253-F411 AromaticContact CE1-CE2 3.54Å; F253-F411 HydrophobicContact CE1-CE2 3.54Å; F253-F411 HydrophobicContact CE1-CZ 4.16Å; F253-F411 HydrophobicContact CZ-CD2 4.42Å; F253-F411 AromaticContact CZ-CE2 3.72Å; F253-F411 HydrophobicContact CZ-CE2 3.72Å; F253-V414 HydrophobicContact CB-CG1 4.21Å; F253-V414 HydrophobicContact CD1-CG1 4.34Å; F253-V414 HydrophobicContact CD2-CG1 4.26Å; F253-V414 HydrophobicContact CD2-CG2 4.49Å; F253-V414 HydrophobicContact CG-CG1 4Å; F253-F418 HydrophobicContact CB-CE2 4.08Å; F253-F418 HydrophobicContact CB-CZ 4.43Å
254V82.6Confident79.6Confident3 Ų353.8 Ų53.82%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-124.7124.3176.4-1750000107.7L229 M231 A244 R245 L256L229-V254 PolarHBondContact N-O 2.86Å; L229-V254 PolarHBondContact O-N 2.96Å; M231-V254 HydrophobicContact CG-CB 4.5Å; M231-V254 HydrophobicContact CG-CG2 3.61Å; M231-V254 HydrophobicContact SD-CG2 4.32Å; A244-V254 WeakPolarHBondContact O-CA 3.23Å; R245-V254 HydrophobicContact CG-CG2 4.45Å; V254-L256 HydrophobicContact CG1-CD1 4.07Å; V254-L256 HydrophobicContact CG1-CD2 4.28Å; V254-L256 HydrophobicContact CG1-CG 3.98Å
255A85.1Confident78.9Confident10 Ų1055.1 Ų55.18%0.08328%0.277CS..EExtended strand (participates in β ladder)trans-100.9130.6172.100000109.6V226 L228 G243 A244 F418V226-A255 HydrophobicContact CG1-CB 3.77Å; L228-A255 HydrophobicContact CD1-CB 4.26Å; G243-A255 WeakPolarHBondContact CA-O 3.29Å; A244-A255 PolarHBondContact N-O 3.23Å; A244-A255 PolarHBondContact O-N 3.27Å; A255-F418 HydrophobicContact CB-CB 4.3Å; A255-F418 HydrophobicContact CB-CD1 3.29Å; A255-F418 HydrophobicContact CB-CD2 4.1Å; A255-F418 HydrophobicContact CB-CE1 3.41Å; A255-F418 VanDerWaalsContact CB-CE1 3.41Å; A255-F418 HydrophobicContact CB-CE2 4.19Å; A255-F418 HydrophobicContact CB-CG 3.65Å; A255-F418 HydrophobicContact CB-CZ 3.86Å
256L83.7Confident78.4Confident6 Ų654.2 Ų54.23%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-128.6140.5-176.8-68.6158.9000109.5V226 V227 L229 L239 I242 V254 W261V226-L256 CarbonylContact C-O 3.56Å; V226-L256 WeakPolarHBondContact CA-O 3.35Å; V227-L256 PolarHBondContact N-O 3.13Å; V227-L256 PolarHBondContact O-N 3.47Å; L229-L256 HydrophobicContact CD1-CD1 4.16Å; L239-L256 HydrophobicContact CD2-CD1 4.47Å; I242-L256 HydrophobicContact CB-CD2 3.99Å; I242-L256 HydrophobicContact CG2-CD2 3.68Å; V254-L256 HydrophobicContact CG1-CD1 4.07Å; V254-L256 HydrophobicContact CG1-CD2 4.28Å; V254-L256 HydrophobicContact CG1-CG 3.98Å; L256-W261 HydrophobicContact CB-CE3 4.07Å; L256-W261 HydrophobicContact CD1-CE3 3.28Å; L256-W261 HydrophobicContact CD1-CH2 4.46Å; L256-W261 HydrophobicContact CD1-CZ3 3.17Å; L256-W261 HydrophobicContact CG-CE3 4.23Å; L256-W261 HydrophobicContact CG-CZ3 4.49Å
257D84.8Confident77.8Confident70 Ų7053.9 Ų53.937%0.37428%0.279SS..EExtended strand (participates in β ladder)trans-66138.9171.7-175.1-87.2000110A259 E260 W261D257-A259 VanDerWaalsContact C-N 3.3Å; D257-A259 PolarHBondContact O-N 2.75Å; D257-A259 WeakPolarHBondContact OD1-CA 3.38Å; D257-A259 WeakPolarHBondContact OD1-CB 3.25Å; D257-A259 PolarHBondContact OD1-N 2.83Å; D257-E260 HydrophobicContact CB-CB 4.35Å; D257-E260 HydrophobicContact CB-CG 4.19Å; D257-E260 PolarHBondContact O-N 2.92Å; D257-W261 PolarHBondContact O-N 3.39Å
258S82.3Confident77.4Confident0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-65-34.2-176.780.60000111.6M215 S225 W261 A262M215-S258 VanDerWaalsContact CE-C 3.44Å; M215-S258 WeakPolarHBondContact CE-O 3.24Å; S225-S258 WeakPolarHBondContact CB-OG 3.38Å; S225-S258 WeakPolarHBondContact O-CB 3.43Å; S225-S258 PolarHBondContact O-N 2.85Å; S225-S258 VanDerWaalsContact OG-CB 3.29Å; S225-S258 WeakPolarHBondContact OG-CB 3.24Å; S225-S258 PolarHBondContact OG-OG 2.92Å; S258-W261 PolarHBondContact O-N 3.36Å; S258-A262 WeakPolarHBondContact O-CB 3.3Å; S258-A262 PolarHBondContact O-N 2.9Å
259A82.4Confident77.2Confident32 Ų3251.1 Ų51.126%0.26426%0.264SS..Hα-helixtrans-68.3-38.8176.500000112.4A218 D257 W261 A262 K263A218-A259 HydrophobicContact CB-CB 3.82Å; D257-A259 VanDerWaalsContact C-N 3.3Å; D257-A259 PolarHBondContact O-N 2.75Å; D257-A259 WeakPolarHBondContact OD1-CA 3.38Å; D257-A259 WeakPolarHBondContact OD1-CB 3.25Å; D257-A259 PolarHBondContact OD1-N 2.83Å; A259-W261 VanDerWaalsContact C-N 3.33Å; A259-A262 PolarHBondContact O-N 2.85Å; A259-K263 PolarHBondContact O-N 2.93Å
260E79.1Confident76.8Confident102 Ų10247.4 Ų47.448%0.47725%0.253SS..Hα-helixtrans-64.9-40173.2-70.1-169.6163.300111.6D257D257-E260 HydrophobicContact CB-CB 4.35Å; D257-E260 HydrophobicContact CB-CG 4.19Å; D257-E260 PolarHBondContact O-N 2.92Å
261W76.3Confident76.3Confident16 Ų1646.3 Ų46.36%0.06124%0.24CC..Hα-helixtrans-66.9-39.4175.4-167.2-77.4000112.3M207 L229 L239 L256 D257 S258 A259 K263 R264 H267 I269M207-W261 HydrophobicContact CE-CZ2 4.49Å; L229-W261 HydrophobicContact CD1-CE3 4.2Å; L229-W261 HydrophobicContact CD1-CH2 3.18Å; L229-W261 HydrophobicContact CD1-CZ2 4.09Å; L229-W261 HydrophobicContact CD1-CZ3 3.25Å; L239-W261 HydrophobicContact CD2-CH2 3.98Å; L239-W261 HydrophobicContact CD2-CZ3 3.8Å; L256-W261 HydrophobicContact CB-CE3 4.07Å; L256-W261 HydrophobicContact CD1-CE3 3.28Å; L256-W261 HydrophobicContact CD1-CH2 4.46Å; L256-W261 HydrophobicContact CD1-CZ3 3.17Å; L256-W261 HydrophobicContact CG-CE3 4.23Å; L256-W261 HydrophobicContact CG-CZ3 4.49Å; D257-W261 PolarHBondContact O-N 3.39Å; S258-W261 PolarHBondContact O-N 3.36Å; A259-W261 VanDerWaalsContact C-N 3.33Å; W261-K263 PolarHBondContact O-N 3.49Å; W261-R264 CarbonylContact O-C 3.53Å; W261-R264 PolarHBondContact O-N 2.82Å; W261-H267 HydrophobicContact CH2-CB 3.82Å; W261-H267 HydrophobicContact CZ2-CB 4.06Å; W261-H267 HydrophobicContact CZ3-CB 4.47Å; W261-I269 HydrophobicContact CZ2-CG1 4.5Å
262A76Confident75.6Confident17 Ų1754 Ų5414%0.1427%0.273CS..Hα-helixtrans-56.3-38.2178.700000112.9M215 S258 A259 R264M215-A262 HydrophobicContact CB-CB 4.4Å; M215-A262 HydrophobicContact CE-CB 3.64Å; M215-A262 HydrophobicContact CG-CB 4.36Å; S258-A262 WeakPolarHBondContact O-CB 3.3Å; S258-A262 PolarHBondContact O-N 2.9Å; A259-A262 PolarHBondContact O-N 2.85Å; A262-R264 PolarHBondContact O-N 2.97Å
263K76.2Confident74.7Confident181 Ų18152.5 Ų52.579%0.78727%0.273SS*.THydrogen-bonded Turntrans-69.4-13.2179.1-67.3173.7-176.8175.30112.9A259 W261A259-K263 PolarHBondContact O-N 2.93Å; W261-K263 PolarHBondContact O-N 3.49Å
264R69.8Low73.9Confident109 Ų10957 Ų5741%0.41130%0.3SS..  trans-124.991-169.9-63.4174.3165.5-123.72.5111.1I242 W261 A262 D266 H267I242-R264 VanDerWaalsContact CD1-NH1 3.26Å; W261-R264 CarbonylContact O-C 3.53Å; W261-R264 PolarHBondContact O-N 2.82Å; A262-R264 PolarHBondContact O-N 2.97Å; R264-D266 VanDerWaalsContact C-N 3.29Å; R264-H267 VanDerWaalsContact CB-CD2 3.43Å; R264-H267 WeakPolarHBondContact CB-CD2 3.27Å; R264-H267 WeakPolarHBondContact CD-NE2 3.38Å
265T65.6Low73.3Confident88 Ų8858.4 Ų58.454%0.5431%0.31SS..THydrogen-bonded Turntrans-84.2-2.3178.7530000113.9N206N206-T265 WeakPolarHBondContact CB-O 2.92Å; N206-T265 PolarHBondContact ND2-O 2.84Å
266D67.8Low72.4Confident113 Ų11359.5 Ų59.560%0.60432%0.315SS*.THydrogen-bonded Turntrans-94.6-11.1-172.364.8-36.3000114.5R264 T268R264-D266 VanDerWaalsContact C-N 3.29Å; D266-T268 PolarHBondContact O-N 2.95Å
267H70.2Confident71.8Confident17 Ų1759.7 Ų59.78%0.07932%0.316CS..PPolyproline II helixtrans-71118.5178.9-68.8-65000111.3L239 W261 R264 I269L239-H267 HydrophobicContact CD2-CB 4.12Å; W261-H267 HydrophobicContact CH2-CB 3.82Å; W261-H267 HydrophobicContact CZ2-CB 4.06Å; W261-H267 HydrophobicContact CZ3-CB 4.47Å; R264-H267 VanDerWaalsContact CB-CD2 3.43Å; R264-H267 WeakPolarHBondContact CB-CD2 3.27Å; R264-H267 WeakPolarHBondContact CD-NE2 3.38Å; H267-I269 PolarHBondContact O-N 2.89Å
268T71.9Confident71.4Confident47 Ų4763.1 Ų63.129%0.28833%0.328SS..PPolyproline II helixtrans-67.7126.8168.7450000109.1D204 D266 P270D204-T268 HydrophobicContact CB-CG2 4.25Å; D266-T268 PolarHBondContact O-N 2.95Å; T268-P270 WeakPolarHBondContact O-CD 3.38Å
269I73Confident71.5Confident1 Ų163.4 Ų63.41%0.00533%0.33CS..PPolyproline II helixtrans-82.7123.1175.5-56.3170.8000108.1M1 N200 S205 L210 W261 H267 A271M1-I269 HydrophobicContact CE-CB 4.46Å; M1-I269 HydrophobicContact CE-CG2 3.14Å; M1-I269 HydrophobicContact SD-CB 4.21Å; M1-I269 HydrophobicContact SD-CD1 4.43Å; M1-I269 HydrophobicContact SD-CG2 3.24Å; M1-I269 WeakPolarHBondContact SD-CG2 3.36Å; N200-I269 PolarHBondContact ND2-O 2.68Å; S205-I269 VanDerWaalsContact O-CB 3.3Å; S205-I269 WeakPolarHBondContact O-CB 3.42Å; S205-I269 WeakPolarHBondContact O-CG1 3.45Å; S205-I269 PolarHBondContact O-N 3.07Å; L210-I269 HydrophobicContact CB-CD1 4.48Å; L210-I269 HydrophobicContact CD2-CD1 3.66Å; W261-I269 HydrophobicContact CZ2-CG1 4.5Å; H267-I269 PolarHBondContact O-N 2.89Å; I269-A271 PolarHBondContact O-N 2.75Å
270P67.7Low71.8Confident26 Ų2662.5 Ų62.517%0.16932%0.321CS..PPolyproline II helixtrans-58.8127.7-175.9-22.430.9000112.6M231 P232 L239 T268M231-P270 HydrophobicContact CE-CG 4.39Å; M231-P270 HydrophobicContact SD-CG 4.09Å; P232-P270 VanDerWaalsContact CD-CB 3.48Å; P232-P270 HydrophobicContact CG-CB 3.97Å; P232-P270 HydrophobicContact CG-CG 4.44Å; L239-P270 HydrophobicContact CD1-CG 4.29Å; T268-P270 WeakPolarHBondContact O-CD 3.38Å
271A64.6Low72.4Confident23 Ų2357.6 Ų57.619%0.1930%0.298CS..PPolyproline II helixtrans-88161.6171.100000111.6N203 I269N203-A271 HydrophobicContact CB-CB 4.3Å; N203-A271 WeakPolarHBondContact OD1-CB 3.01Å; I269-A271 PolarHBondContact O-N 2.75Å
272K64.5Low73.2Confident178 Ų17859.2 Ų59.277%0.77431%0.309SS*.  trans64.958.8173.7-52.7-180-178.4-179.20115.2
273S62.6Low74Confident60 Ų6059.3 Ų59.342%0.4231%0.308SS..PPolyproline II helixtrans-85.2132.4167.257.40000111.6
274V66.9Low74.9Confident98 Ų9852.8 Ų52.859%0.59428%0.281SS*.PPolyproline II helixtrans-66.5143.8164.8-179.50000108K230 V276K230-V274 PolarHBondContact NZ-O 3.04Å; V274-V276 PolarHBondContact O-N 3.42Å
275P69.1Low76.1Confident33 Ų3347.9 Ų47.921%0.21426%0.264CS..PPolyproline II helixtrans-54.9137.4172.520.8-32.8000111.5G50G50-P275 VanDerWaalsContact CA-CB 3.48Å
276V66.1Low77.5Confident33 Ų3348.3 Ų48.320%0.226%0.255CS..SBendtrans-73.9-52.8-177.8-173.80000110.4K230 Y248 F253 V274K230-V276 HydrophobicContact CD-CG2 3.55Å; Y248-V276 HydrophobicContact CD1-CG1 3.57Å; Y248-V276 HydrophobicContact CE1-CG1 3.47Å; Y248-V276 VanDerWaalsContact CE1-CG1 3.47Å; F253-V276 HydrophobicContact CE1-CG2 4.38Å; F253-V276 HydrophobicContact CZ-CG1 4.15Å; F253-V276 HydrophobicContact CZ-CG2 3.77Å; V274-V276 PolarHBondContact O-N 3.42Å
277D71.4Confident78.8Confident10 Ų1045.1 Ų45.15%0.05324%0.24CC..  trans-121.1128.9-174.3-69.6-34.3000109.8G50 Y51 Y248 R249 F411G50-D277 WeakPolarHBondContact CA-O 3.2Å; Y51-D277 PolarHBondContact N-O 3.3Å; Y248-D277 PolarHBondContact OH-OD1 2.92Å; Y248-D277 PolarHBondContact OH-OD2 2.89Å; R249-D277 IonicContact CZ-OD1 3.7Å; R249-D277 IonicContact NE-OD1 2.78Å; R249-D277 IonicContact NH1-OD1 2.85Å; R249-D277 PolarHBondContact NH1-OD1 3.2Å; D277-F411 WeakPolarHBondContact OD2-CB 3.39Å; D277-F411 PolarHBondContact OD2-N 2.85Å
278K76.9Confident80Confident141 Ų14149.8 Ų49.861%0.61326%0.257SS*.  trans-93.7136.7162.6-66.3-178.9-179.2179.10107.2
279L84.7Confident80.9Confident7 Ų750 Ų504%0.03727%0.269CS..  trans-72.6139.6170.7-73.9175.8000109.5Q46 Y51 V281 F402 L404 L431 I433Q46-L279 VanDerWaalsContact NE2-CD1 3.3Å; Q46-L279 VanDerWaalsContact NE2-CG 3.33Å; Y51-L279 HydrophobicContact CD1-CD2 3.71Å; Y51-L279 HydrophobicContact CD1-CG 4.43Å; Y51-L279 HydrophobicContact CD2-CD1 3.52Å; Y51-L279 HydrophobicContact CD2-CD2 3.62Å; Y51-L279 HydrophobicContact CD2-CG 3.67Å; Y51-L279 HydrophobicContact CE1-CD2 4.11Å; Y51-L279 HydrophobicContact CE2-CD1 4.06Å; Y51-L279 HydrophobicContact CE2-CD2 4.04Å; Y51-L279 HydrophobicContact CE2-CG 4.42Å; Y51-L279 HydrophobicContact CG-CD1 4.09Å; Y51-L279 HydrophobicContact CG-CD2 3.45Å; Y51-L279 VanDerWaalsContact CG-CD2 3.45Å; Y51-L279 HydrophobicContact CG-CG 3.69Å; L279-V281 VanDerWaalsContact C-N 3.29Å; L279-V281 PolarHBondContact O-N 2.87Å; L279-F402 HydrophobicContact CB-CZ 4.49Å; L279-F402 HydrophobicContact CD1-CZ 4.41Å; L279-F402 HydrophobicContact CD2-CZ 4.23Å; L279-L404 HydrophobicContact CD2-CD2 4.17Å; L279-L431 HydrophobicContact CD1-CD2 3.88Å; L279-L431 HydrophobicContact CD2-CD2 3.33Å; L279-L431 HydrophobicContact CG-CD2 4.25Å; L279-I433 HydrophobicContact CD1-CG2 3.35Å
280P87.9Confident81.7Confident12 Ų1258.2 Ų58.28%0.07831%0.311CS..SBendtrans-64.3-39176.224.8-32000111N303 E304 A305 F402 L404P280-N303 CarbonylContact O-C 3.59Å; P280-N303 WeakPolarHBondContact O-CA 3.48Å; P280-E304 PolarHBondContact O-N 3.41Å; P280-A305 HydrophobicContact CB-CB 3.78Å; P280-F402 HydrophobicContact CG-CE2 3.97Å; P280-L404 HydrophobicContact CG-CD2 4.09Å
281V91.8Very high82.7Confident0 Ų059 Ų590%032%0.323CS..EExtended strand (participates in β ladder)trans-99.4133.5179.6-177.50000110L279 R302 V309 V311 L363 V400 F402 I433L279-V281 VanDerWaalsContact C-N 3.29Å; L279-V281 PolarHBondContact O-N 2.87Å; V281-R302 CarbonylContact C-O 3.47Å; V281-R302 WeakPolarHBondContact CA-O 3.39Å; V281-V309 HydrophobicContact CG2-CB 4.34Å; V281-V309 HydrophobicContact CG2-CG1 4.1Å; V281-V311 HydrophobicContact CG1-CG1 4.4Å; V281-V311 HydrophobicContact CG2-CG1 4.28Å; V281-L363 HydrophobicContact CG1-CD1 3.75Å; V281-L363 HydrophobicContact CG2-CD1 4.28Å; V281-V400 HydrophobicContact CG1-CG1 4.25Å; V281-F402 HydrophobicContact CB-CD1 4.06Å; V281-F402 HydrophobicContact CB-CD2 4.33Å; V281-F402 HydrophobicContact CB-CE1 3.83Å; V281-F402 HydrophobicContact CB-CE2 4.11Å; V281-F402 HydrophobicContact CB-CG 4.31Å; V281-F402 HydrophobicContact CB-CZ 3.84Å; V281-F402 HydrophobicContact CG1-CD1 4.38Å; V281-F402 HydrophobicContact CG1-CE1 4.37Å; V281-F402 HydrophobicContact CG2-CD1 4.42Å; V281-F402 HydrophobicContact CG2-CD2 4.03Å; V281-F402 HydrophobicContact CG2-CE2 4.14Å; V281-F402 HydrophobicContact CG2-CG 4.17Å; V281-F402 HydrophobicContact CG2-CZ 4.38Å; V281-I433 HydrophobicContact CG1-CD1 4.38Å; V281-I433 VanDerWaalsContact O-CD1 3.3Å; V281-I433 WeakPolarHBondContact O-CD1 3.07Å
282T92.1Very high83.9Confident49 Ų4960.6 Ų60.630%0.30133%0.326SS..EExtended strand (participates in β ladder)trans-129.7148.4173.956.70000110.5L301 R302T282-L301 WeakPolarHBondContact O-CA 3Å; T282-R302 PolarHBondContact N-O 3.3Å; T282-R302 PolarHBondContact O-N 2.94Å
283I94.1Very high85.3Confident20 Ų2057.8 Ų57.810%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-126137.3177.8176.4167.2000109.8E300 L301 F313 A398 V400 I433I283-E300 CarbonylContact C-O 3.57Å; I283-E300 WeakPolarHBondContact CA-O 3.38Å; I283-L301 HydrophobicContact CB-CD2 3.75Å; I283-L301 HydrophobicContact CD1-CD2 3.97Å; I283-L301 HydrophobicContact CG1-CD2 3.82Å; I283-F313 HydrophobicContact CD1-CD2 4.16Å; I283-F313 HydrophobicContact CD1-CE2 3.87Å; I283-A398 HydrophobicContact CD1-CB 3.97Å; I283-V400 HydrophobicContact CB-CG2 3.98Å; I283-V400 HydrophobicContact CD1-CG2 3.58Å; I283-V400 HydrophobicContact CG1-CG2 4.29Å; I283-V400 HydrophobicContact CG2-CG2 4.24Å; I283-I433 HydrophobicContact CG2-CD1 3.92Å; I283-I433 HydrophobicContact CG2-CG1 4.04Å
284L94.1Very high86.8Confident44 Ų4460.2 Ų60.223%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-133128.4174.1-177.956.3000109.6H299 E300 E436L284-H299 CarbonylContact O-C 3.6Å; L284-H299 WeakPolarHBondContact O-CA 3.36Å; L284-E300 HydrophobicContact CB-CB 4.29Å; L284-E300 PolarHBondContact N-O 3.23Å; L284-E300 PolarHBondContact O-N 2.78Å; L284-E436 VanDerWaalsContact CD1-CD 3.5Å; L284-E436 HydrophobicContact CD1-CG 4.12Å; L284-E436 WeakPolarHBondContact CD1-OE2 3.46Å
285S95.4Very high88.2Confident6 Ų655.9 Ų55.94%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-116.9129.1-172.7-63.70000110.1V298 H299S285-V298 CarbonylContact C-O 3.56Å; S285-V298 WeakPolarHBondContact CA-O 3.4Å; S285-H299 PolarHBondContact OG-ND1 3.04Å
286R95.2Very high89.5Confident97 Ų9755.1 Ų55.137%0.36629%0.292SS..EExtended strand (participates in β ladder)trans-139.3164.1-179.8-62.5-172.9-178.8112.1-7.2111.4V298 E300R286-V298 PolarHBondContact N-O 3.45Å; R286-V298 PolarHBondContact O-N 2.83Å; R286-E300 IonicContact CZ-OE2 3.04Å; R286-E300 IonicContact NH1-OE1 2.74Å; R286-E300 PolarHBondContact NH1-OE1 2.99Å; R286-E300 IonicContact NH1-OE2 3.31Å; R286-E300 PolarHBondContact NH1-OE2 2.89Å
287V95.5Very high91Very high46 Ų4653.6 Ų53.628%0.27928%0.283SS..EExtended strand (participates in β ladder)trans-116.8128.1169.3176.40000108.6L295 T296 F297 F375 I438V287-L295 HydrophobicContact CG1-CB 4.33Å; V287-L295 HydrophobicContact CG1-CD2 3.98Å; V287-T296 CarbonylContact C-O 3.44Å; V287-T296 WeakPolarHBondContact CA-O 3.36Å; V287-F297 HydrophobicContact CG2-CD1 3.68Å; V287-F297 HydrophobicContact CG2-CE1 3.72Å; V287-F375 HydrophobicContact CG1-CE1 4.03Å; V287-F375 HydrophobicContact CG1-CZ 3.84Å; V287-F375 HydrophobicContact CG2-CE1 4.41Å; V287-F375 HydrophobicContact CG2-CZ 4.35Å; V287-I438 HydrophobicContact CG2-CB 4.46Å; V287-I438 HydrophobicContact CG2-CD1 4.05Å; V287-I438 HydrophobicContact CG2-CG1 4.42Å; V287-I438 HydrophobicContact CG2-CG2 3.3Å
288Y94.6Very high92.2Very high115 Ų11553.3 Ų53.345%0.45128%0.281SS..EExtended strand (participates in β ladder)trans-103.5153.1168-69.2-46.4000111.2L295 T296 V298Y288-L295 WeakPolarHBondContact O-CA 3.26Å; Y288-T296 PolarHBondContact N-O 3.24Å; Y288-T296 PolarHBondContact O-N 2.83Å; Y288-V298 HydrophobicContact CD2-CB 4.15Å; Y288-V298 HydrophobicContact CD2-CG2 3.22Å; Y288-V298 HydrophobicContact CE2-CB 3.98Å; Y288-V298 HydrophobicContact CE2-CG1 4.1Å; Y288-V298 HydrophobicContact CE2-CG2 3.48Å; Y288-V298 VanDerWaalsContact CE2-CG2 3.48Å; Y288-V298 HydrophobicContact CG-CG2 4.25Å
289G91.8Very high93.2Very high52 Ų5246.6 Ų46.654%0.53625%0.252SS..  trans96.2156.5-176.600000112.5
290I88.1Confident93.7Very high173 Ų17349.5 Ų49.589%0.88727%0.266SS*.  trans-127.9147.6177.8-59.8172.1000106.8
291G90Very high94.1Very high41 Ų4149 Ų4942%0.42326%0.262SS..SBendtrans102.8-145.117900000112.4K377G291-K377 VanDerWaalsContact O-CE 3.28Å; G291-K377 WeakPolarHBondContact O-CE 3.39Å; G291-K377 PolarHBondContact O-NZ 2.65Å
292F89.8Confident94.3Very high58 Ų5854.5 Ų54.525%0.25428%0.283SS..SBendtrans-114.6-30.7-168.2-170.5-91.4000113.8L295 K377 L379 P443F292-L295 VanDerWaalsContact C-CD1 3.48Å; F292-L295 WeakPolarHBondContact O-CD1 3.46Å; F292-K377 HydrophobicContact CD2-CB 3.69Å; F292-K377 HydrophobicContact CD2-CD 4.36Å; F292-K377 WeakPolarHBondContact CE1-O 3.4Å; F292-K377 HydrophobicContact CE2-CB 3.62Å; F292-K377 HydrophobicContact CG-CB 4.27Å; F292-K377 HydrophobicContact CZ-CB 4.17Å; F292-K377 WeakPolarHBondContact CZ-O 3.48Å; F292-K377 PolarHBondContact O-N 3.19Å; F292-L379 HydrophobicContact CE2-CD2 4.08Å; F292-L379 HydrophobicContact CZ-CD2 4.17Å; F292-L379 HydrophobicContact CZ-CG 4.18Å; F292-P443 HydrophobicContact CD2-CG 4.24Å; F292-P443 HydrophobicContact CE2-CG 3.92Å
293H93.4Very high94.4Very high119 Ų11952.1 Ų52.155%0.55127%0.269SS*.SBendtrans-114.3150.9-174.8-60.7-71.5000112.2L295 D376H293-L295 VanDerWaalsContact C-N 3.3Å; H293-L295 PolarHBondContact O-N 3.05Å; H293-D376 WeakPolarHBondContact CA-OD1 3.46Å; H293-D376 IonicContact CE1-OD2 2.73Å; H293-D376 IonicContact CG-OD2 3.87Å; H293-D376 IonicContact ND1-OD2 3.61Å; H293-D376 PolarHBondContact ND1-OD2 3.1Å
294N93.2Very high94.2Very high111 Ų11154.9 Ų54.959%0.59428%0.281SS*.SBendtrans53.539.7175-70.1-35.5000114.3D376N294-D376 PolarHBondContact N-OD1 2.81Å
295L96.3Very high94Very high6 Ų653.3 Ų53.33%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-74.9159.4167-6492.9000109.1V287 Y288 F292 H293 N374 F375V287-L295 HydrophobicContact CG1-CB 4.33Å; V287-L295 HydrophobicContact CG1-CD2 3.98Å; Y288-L295 WeakPolarHBondContact O-CA 3.26Å; F292-L295 VanDerWaalsContact C-CD1 3.48Å; F292-L295 WeakPolarHBondContact O-CD1 3.46Å; H293-L295 VanDerWaalsContact C-N 3.3Å; H293-L295 PolarHBondContact O-N 3.05Å; L295-N374 CarbonylContact O-C 3.44Å; L295-N374 WeakPolarHBondContact O-CA 3.46Å; L295-F375 HydrophobicContact CB-CD1 4.09Å; L295-F375 HydrophobicContact CB-CD2 4.23Å; L295-F375 HydrophobicContact CB-CE1 3.63Å; L295-F375 HydrophobicContact CB-CE2 3.82Å; L295-F375 HydrophobicContact CB-CG 4.4Å; L295-F375 HydrophobicContact CB-CZ 3.5Å; L295-F375 HydrophobicContact CD1-CE2 4.41Å; L295-F375 HydrophobicContact CD2-CE2 4.31Å; L295-F375 HydrophobicContact CD2-CZ 4.09Å; L295-F375 HydrophobicContact CG-CE2 4.41Å; L295-F375 HydrophobicContact CG-CZ 4.33Å; L295-F375 PolarHBondContact N-O 2.83Å; L295-F375 PolarHBondContact O-N 2.82Å
296T97Very high93.8Very high18 Ų1859.8 Ų59.811%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-130.5123.9-178.2-51.90000110.6V287 Y288 V298 M372 I373 N374V287-T296 CarbonylContact C-O 3.44Å; V287-T296 WeakPolarHBondContact CA-O 3.36Å; Y288-T296 PolarHBondContact N-O 3.24Å; Y288-T296 PolarHBondContact O-N 2.83Å; T296-V298 HydrophobicContact CG2-CG2 4.1Å; T296-M372 HydrophobicContact CG2-CB 3.95Å; T296-M372 HydrophobicContact CG2-CE 3.49Å; T296-M372 VanDerWaalsContact CG2-CE 3.49Å; T296-I373 WeakPolarHBondContact CA-O 3.47Å; T296-N374 WeakPolarHBondContact CB-OD1 3.48Å; T296-N374 VanDerWaalsContact CG2-OD1 3.27Å; T296-N374 WeakPolarHBondContact CG2-OD1 3.05Å; T296-N374 PolarHBondContact OG1-OD1 3.31Å
297F97.5Very high93.6Very high0 Ų058 Ų580%031%0.308CS..EExtended strand (participates in β ladder)trans-72.8133.8162.7-69.7-56.8000109.3V287 I317 I321 M372 I373 F375 L395 I438V287-F297 HydrophobicContact CG2-CD1 3.68Å; V287-F297 HydrophobicContact CG2-CE1 3.72Å; F297-I317 HydrophobicContact CD2-CD1 4.09Å; F297-I317 HydrophobicContact CE2-CD1 3.93Å; F297-I317 HydrophobicContact CE2-CG1 4.36Å; F297-I317 HydrophobicContact CE2-CG2 4.16Å; F297-I317 HydrophobicContact CZ-CG2 4.49Å; F297-I321 HydrophobicContact CE2-CG2 3.83Å; F297-I321 HydrophobicContact CZ-CD1 3.96Å; F297-I321 HydrophobicContact CZ-CG2 4.02Å; F297-M372 WeakPolarHBondContact O-CA 3.49Å; F297-I373 HydrophobicContact CB-CG2 3.92Å; F297-I373 HydrophobicContact CD2-CG2 4.07Å; F297-I373 PolarHBondContact N-O 2.81Å; F297-I373 PolarHBondContact O-N 3.34Å; F297-I373 VanDerWaalsContact O-N 3.07Å; F297-F375 HydrophobicContact CD1-CD1 4.18Å; F297-F375 AromaticContact CD1-CE1 3.64Å; F297-F375 HydrophobicContact CD1-CE1 3.64Å; F297-F375 HydrophobicContact CD1-CZ 4.37Å; F297-F375 AromaticContact CD2-CD1 3.34Å; F297-F375 HydrophobicContact CD2-CD1 3.34Å; F297-F375 AromaticContact CD2-CE1 3.7Å; F297-F375 HydrophobicContact CD2-CE1 3.7Å; F297-F375 HydrophobicContact CD2-CG 4.13Å; F297-F375 HydrophobicContact CE1-CD1 4.15Å; F297-F375 AromaticContact CE1-CE1 3.53Å; F297-F375 HydrophobicContact CE1-CE1 3.53Å; F297-F375 AromaticContact CE1-CZ 3.84Å; F297-F375 HydrophobicContact CE1-CZ 3.84Å; F297-F375 HydrophobicContact CE2-CB 4.22Å; F297-F375 AromaticContact CE2-CD1 3.31Å; F297-F375 HydrophobicContact CE2-CD1 3.31Å; F297-F375 HydrophobicContact CE2-CD2 4.37Å; F297-F375 AromaticContact CE2-CE1 3.6Å; F297-F375 HydrophobicContact CE2-CE1 3.6Å; F297-F375 AromaticContact CE2-CG 3.72Å; F297-F375 HydrophobicContact CE2-CG 3.72Å; F297-F375 HydrophobicContact CE2-CZ 4.23Å; F297-F375 AromaticContact CG-CD1 3.8Å; F297-F375 HydrophobicContact CG-CD1 3.8Å; F297-F375 AromaticContact CG-CE1 3.72Å; F297-F375 HydrophobicContact CG-CE1 3.72Å; F297-F375 AromaticContact CZ-CD1 3.73Å; F297-F375 HydrophobicContact CZ-CD1 3.73Å; F297-F375 HydrophobicContact CZ-CD2 4.44Å; F297-F375 AromaticContact CZ-CE1 3.51Å; F297-F375 HydrophobicContact CZ-CE1 3.51Å; F297-F375 HydrophobicContact CZ-CE2 4.24Å; F297-F375 HydrophobicContact CZ-CG 4.17Å; F297-F375 AromaticContact CZ-CZ 3.77Å; F297-F375 HydrophobicContact CZ-CZ 3.77Å; F297-L395 HydrophobicContact CE1-CD1 3.74Å; F297-L395 HydrophobicContact CZ-CD1 3.69Å; F297-I438 HydrophobicContact CD1-CD1 3.67Å; F297-I438 HydrophobicContact CE1-CD1 3.89Å; F297-I438 HydrophobicContact CE1-CG2 4.32Å
298V96.9Very high93.5Very high4 Ų461.1 Ų61.12%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-127.3120.8175.3-177.40000109.2S285 R286 Y288 T296 E300 M372S285-V298 CarbonylContact C-O 3.56Å; S285-V298 WeakPolarHBondContact CA-O 3.4Å; R286-V298 PolarHBondContact N-O 3.45Å; R286-V298 PolarHBondContact O-N 2.83Å; Y288-V298 HydrophobicContact CD2-CB 4.15Å; Y288-V298 HydrophobicContact CD2-CG2 3.22Å; Y288-V298 HydrophobicContact CE2-CB 3.98Å; Y288-V298 HydrophobicContact CE2-CG1 4.1Å; Y288-V298 HydrophobicContact CE2-CG2 3.48Å; Y288-V298 VanDerWaalsContact CE2-CG2 3.48Å; Y288-V298 HydrophobicContact CG-CG2 4.25Å; T296-V298 HydrophobicContact CG2-CG2 4.1Å; V298-E300 HydrophobicContact CG1-CG 4.25Å; V298-M372 HydrophobicContact CB-CG 4.27Å; V298-M372 HydrophobicContact CG1-CG 4.01Å; V298-M372 HydrophobicContact CG1-SD 4.38Å; V298-M372 HydrophobicContact CG2-CE 3.52Å; V298-M372 HydrophobicContact CG2-CG 3.81Å; V298-M372 HydrophobicContact CG2-SD 4.04Å
299H97.5Very high93.4Very high1 Ų156 Ų561%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-112.8107.9173.3-52.9-74000108.6L284 S285 F313 H315 S370 L371L284-H299 CarbonylContact O-C 3.6Å; L284-H299 WeakPolarHBondContact O-CA 3.36Å; S285-H299 PolarHBondContact OG-ND1 3.04Å; H299-F313 HydrophobicContact CB-CE2 3.88Å; H299-F313 HydrophobicContact CB-CZ 4.34Å; H299-F313 AromaticContact CD2-CE2 3.9Å; H299-F313 AromaticContact CD2-CZ 3.46Å; H299-F313 VanDerWaalsContact CD2-CZ 3.46Å; H299-F313 WeakPolarHBondContact CD2-CZ 3.34Å; H299-F313 AromaticContact CG-CE2 3.67Å; H299-F313 AromaticContact CG-CZ 3.72Å; H299-F313 AromaticContact NE2-CZ 3.73Å; H299-H315 AromaticContact CE1-CE1 3.34Å; H299-H315 PolarHBondContact CE1-CE1 2.88Å; H299-H315 AromaticContact CE1-ND1 3.32Å; H299-H315 PolarHBondContact CE1-ND1 2.97Å; H299-H315 VanDerWaalsContact CE1-ND1 3.32Å; H299-H315 AromaticContact NE2-CE1 3.39Å; H299-H315 PolarHBondContact NE2-CE1 2.83Å; H299-H315 AromaticContact NE2-ND1 3.05Å; H299-H315 PolarHBondContact NE2-ND1 3.26Å; H299-S370 WeakPolarHBondContact O-CA 3.48Å; H299-L371 HydrophobicContact CB-CB 4.29Å; H299-L371 PolarHBondContact N-O 2.77Å; H299-L371 PolarHBondContact O-N 3.35Å
300E96.1Very high93.6Very high68 Ų6854.7 Ų54.732%0.31829%0.285SS..EExtended strand (participates in β ladder)trans-86.2119.2173.6-73165.3-154.500108.5I283 L284 R286 V298 C369I283-E300 CarbonylContact C-O 3.57Å; I283-E300 WeakPolarHBondContact CA-O 3.38Å; L284-E300 HydrophobicContact CB-CB 4.29Å; L284-E300 PolarHBondContact N-O 3.23Å; L284-E300 PolarHBondContact O-N 2.78Å; R286-E300 IonicContact CZ-OE2 3.04Å; R286-E300 IonicContact NH1-OE1 2.74Å; R286-E300 PolarHBondContact NH1-OE1 2.99Å; R286-E300 IonicContact NH1-OE2 3.31Å; R286-E300 PolarHBondContact NH1-OE2 2.89Å; V298-E300 HydrophobicContact CG1-CG 4.25Å; E300-C369 CarbonylContact C-O 3.59Å; E300-C369 WeakPolarHBondContact CA-O 3.31Å
301L96.3Very high94Very high1 Ų146.4 Ų46.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-112.4123.7179.2-64.3173000108.4T282 I283 F330 L361 L363 C369 V400T282-L301 WeakPolarHBondContact O-CA 3Å; I283-L301 HydrophobicContact CB-CD2 3.75Å; I283-L301 HydrophobicContact CD1-CD2 3.97Å; I283-L301 HydrophobicContact CG1-CD2 3.82Å; L301-F330 HydrophobicContact CD1-CE2 4.34Å; L301-L361 HydrophobicContact CD1-CD1 3.38Å; L301-L363 HydrophobicContact CB-CD1 4.21Å; L301-L363 HydrophobicContact CB-CD2 3.92Å; L301-L363 HydrophobicContact CD1-CD2 4.23Å; L301-C369 PolarHBondContact N-O 2.84Å; L301-C369 PolarHBondContact O-N 2.98Å; L301-V400 HydrophobicContact CD2-CG2 3.53Å
302R94.7Very high94.4Very high115 Ų11544.5 Ų44.543%0.43422%0.222SC..EExtended strand (participates in β ladder)trans-123.3130.8-179.9174.2167.1-173-139.4-17.3110.3V281 T282 E304 N368V281-R302 CarbonylContact C-O 3.47Å; V281-R302 WeakPolarHBondContact CA-O 3.39Å; T282-R302 PolarHBondContact N-O 3.3Å; T282-R302 PolarHBondContact O-N 2.94Å; R302-E304 HydrophobicContact CG-CG 4.21Å; R302-E304 IonicContact CZ-OE1 3.09Å; R302-E304 IonicContact NE-OE1 2.75Å; R302-E304 IonicContact NH1-OE1 3.04Å; R302-E304 PolarHBondContact NH1-OE1 3.23Å; R302-E304 IonicContact NH2-OE1 3Å; R302-E304 PolarHBondContact NH2-OE1 3.34Å; R302-N368 WeakPolarHBondContact CD-OD1 3.26Å; R302-N368 WeakPolarHBondContact CG-OD1 3.37Å; R302-N368 PolarHBondContact NE-OD1 3Å
303N94.4Very high94.8Very high0 Ų041.8 Ų41.80%021%0.21CC..EExtended strand (participates in β ladder)trans-109.4111.3173.9179.222.5000109.7P280 A305 V307 L363 P364 G366 G367P280-N303 CarbonylContact O-C 3.59Å; P280-N303 WeakPolarHBondContact O-CA 3.48Å; N303-A305 VanDerWaalsContact OD1-CB 3.22Å; N303-A305 WeakPolarHBondContact OD1-CB 3.17Å; N303-A305 PolarHBondContact OD1-N 3.18Å; N303-V307 PolarHBondContact ND2-O 2.86Å; N303-L363 HydrophobicContact CB-CB 3.83Å; N303-L363 HydrophobicContact CB-CD1 4.25Å; N303-P364 WeakPolarHBondContact CB-O 3.43Å; N303-P364 PolarHBondContact ND2-O 2.84Å; N303-G366 CarbonylContact O-C 3.53Å; N303-G366 VanDerWaalsContact O-C 3.32Å; N303-G366 WeakPolarHBondContact O-CA 3.28Å; N303-G366 PolarHBondContact O-N 3.31Å; N303-G366 VanDerWaalsContact O-N 3.08Å; N303-G367 PolarHBondContact N-O 3.29Å; N303-G367 VanDerWaalsContact N-O 3.11Å; N303-G367 PolarHBondContact O-N 3.45Å
304E90.7Very high95Very high78 Ų7837.5 Ų37.536%0.36419%0.189SC..  trans-90.62.7175.1-58.9-164.2147.800112.8P280 R302P280-E304 PolarHBondContact O-N 3.41Å; R302-E304 HydrophobicContact CG-CG 4.21Å; R302-E304 IonicContact CZ-OE1 3.09Å; R302-E304 IonicContact NE-OE1 2.75Å; R302-E304 IonicContact NH1-OE1 3.04Å; R302-E304 PolarHBondContact NH1-OE1 3.23Å; R302-E304 IonicContact NH2-OE1 3Å; R302-E304 PolarHBondContact NH2-OE1 3.34Å
305A89.9Confident95.2Very high11 Ų1132.3 Ų32.39%0.09116%0.161CC..SBendtrans-76.8154.8175.100000112.7P280 N303 V307 V309 S365 G366 P405P280-A305 HydrophobicContact CB-CB 3.78Å; N303-A305 VanDerWaalsContact OD1-CB 3.22Å; N303-A305 WeakPolarHBondContact OD1-CB 3.17Å; N303-A305 PolarHBondContact OD1-N 3.18Å; A305-V307 PolarHBondContact O-N 3.17Å; A305-V309 HydrophobicContact CB-CG2 4.3Å; A305-S365 WeakPolarHBondContact O-CA 3.46Å; A305-S365 WeakPolarHBondContact O-CB 3.47Å; A305-S365 PolarHBondContact O-OG 2.83Å; A305-G366 PolarHBondContact O-N 3.37Å; A305-P405 HydrophobicContact CB-CG 4.21Å
306N90.1Very high95.2Very high141 Ų14132.6 Ų32.675%0.75416%0.163SC*.SBendtrans-76.82.1173.7-64-19.6000113.5S365N306-S365 WeakPolarHBondContact CA-OG 3.36Å; N306-S365 PolarHBondContact O-OG 2.78Å
307V92.3Very high95.2Very high60 Ų6031.7 Ų31.736%0.36416%0.158SC..SBendtrans-130152.4-178-172.90000108.8N303 A305N303-V307 PolarHBondContact ND2-O 2.86Å; A305-V307 PolarHBondContact O-N 3.17Å
308E92.3Very high95.2Very high111 Ų11132.2 Ų32.252%0.51916%0.161SC..  trans-66.7139.5169.662.7-178.517900111.2R339 L362 L363E308-R339 IonicContact OE2-NH1 3.76Å; E308-L362 HydrophobicContact CB-CD1 4.38Å; E308-L362 HydrophobicContact CG-CD1 4.42Å; E308-L363 VanDerWaalsContact CA-O 3.27Å; E308-L363 WeakPolarHBondContact CA-O 3.45Å; E308-L363 WeakPolarHBondContact CB-O 3.32Å
309V93.8Very high95.1Very high8 Ų833.2 Ų33.25%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-123.3120.7-176.5-176.10000108.6V281 A305 V311 L363 F402 P405V281-V309 HydrophobicContact CG2-CB 4.34Å; V281-V309 HydrophobicContact CG2-CG1 4.1Å; A305-V309 HydrophobicContact CB-CG2 4.3Å; V309-V311 HydrophobicContact CB-CG1 4.43Å; V309-V311 HydrophobicContact CG1-CG1 3.88Å; V309-L363 PolarHBondContact N-O 3.36Å; V309-L363 PolarHBondContact O-N 3.11Å; V309-F402 HydrophobicContact CG1-CB 4.03Å; V309-F402 HydrophobicContact CG1-CD2 4.37Å; V309-P405 HydrophobicContact CG2-CG 4.11Å
310A95.3Very high95Very high24 Ų2434 Ų3420%0.19817%0.168CC..EExtended strand (participates in β ladder)trans-73.9126.2168.600000109G112 L362G112-A310 WeakPolarHBondContact O-CB 3.45Å; A310-L362 HydrophobicContact CB-CD1 4.27Å
311V96.7Very high95Very high0 Ų030.8 Ų30.80%015%0.153CC..EExtended strand (participates in β ladder)trans-128.9145.2-178.2-490000110.7V281 V309 L361 L363 V400 E401 F402V281-V311 HydrophobicContact CG1-CG1 4.4Å; V281-V311 HydrophobicContact CG2-CG1 4.28Å; V309-V311 HydrophobicContact CB-CG1 4.43Å; V309-V311 HydrophobicContact CG1-CG1 3.88Å; V311-L361 HydrophobicContact CG2-CB 3.71Å; V311-L361 PolarHBondContact N-O 3.47Å; V311-L361 PolarHBondContact O-N 2.73Å; V311-L361 VanDerWaalsContact O-O 3.08Å; V311-L363 HydrophobicContact CG1-CD1 3.75Å; V311-L363 HydrophobicContact CG1-CG 4.05Å; V311-L363 HydrophobicContact CG2-CD1 4Å; V311-L363 HydrophobicContact CG2-CD2 4.45Å; V311-L363 HydrophobicContact CG2-CG 3.88Å; V311-V400 HydrophobicContact CB-CG1 3.58Å; V311-V400 HydrophobicContact CG1-CG1 4.13Å; V311-V400 HydrophobicContact CG2-CG1 3.89Å; V311-E401 CarbonylContact C-O 3.53Å; V311-E401 WeakPolarHBondContact CA-O 3.37Å; V311-F402 HydrophobicContact CB-CB 4.33Å; V311-F402 HydrophobicContact CG1-CB 3.82Å
312L97.4Very high95Very high0 Ų036.7 Ų36.70%018%0.175CC..EExtended strand (participates in β ladder)trans-106.3107.6172.6178.261.5000108.8Y106 I114 R314 E358 P360 V400 E401Y106-L312 HydrophobicContact CD2-CD1 4.32Å; I114-L312 HydrophobicContact CD1-CB 4.32Å; I114-L312 HydrophobicContact CG2-CD1 4.38Å; L312-R314 HydrophobicContact CG-CG 4.4Å; L312-E358 HydrophobicContact CD1-CB 4.29Å; L312-P360 HydrophobicContact CD1-CG 4.41Å; L312-V400 WeakPolarHBondContact O-CA 3.45Å; L312-E401 HydrophobicContact CB-CB 4.28Å; L312-E401 PolarHBondContact N-O 3.1Å; L312-E401 PolarHBondContact O-N 3.37Å
313F98.1Very high95.1Very high1 Ų132 Ų320%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-83.5134.6175.2171.6-86.6000110.2I283 H299 H315 E358 V359 L361 L371 A398 S399 V400I283-F313 HydrophobicContact CD1-CD2 4.16Å; I283-F313 HydrophobicContact CD1-CE2 3.87Å; H299-F313 HydrophobicContact CB-CE2 3.88Å; H299-F313 HydrophobicContact CB-CZ 4.34Å; H299-F313 AromaticContact CD2-CE2 3.9Å; H299-F313 AromaticContact CD2-CZ 3.46Å; H299-F313 VanDerWaalsContact CD2-CZ 3.46Å; H299-F313 WeakPolarHBondContact CD2-CZ 3.34Å; H299-F313 AromaticContact CG-CE2 3.67Å; H299-F313 AromaticContact CG-CZ 3.72Å; H299-F313 AromaticContact NE2-CZ 3.73Å; F313-H315 HydrophobicContact CE1-CB 3.66Å; F313-H315 HydrophobicContact CZ-CB 3.74Å; F313-E358 CarbonylContact O-C 3.59Å; F313-E358 WeakPolarHBondContact O-CA 3.5Å; F313-V359 HydrophobicContact CB-CB 4.24Å; F313-V359 HydrophobicContact CD1-CB 4.1Å; F313-V359 HydrophobicContact CD1-CG2 4.03Å; F313-V359 PolarHBondContact N-O 3.09Å; F313-V359 PolarHBondContact O-N 2.93Å; F313-L361 HydrophobicContact CB-CD1 3.78Å; F313-L361 HydrophobicContact CB-CG 4.5Å; F313-L361 HydrophobicContact CG-CD1 4.45Å; F313-L371 HydrophobicContact CD1-CD2 3.51Å; F313-L371 HydrophobicContact CD2-CD2 4.19Å; F313-L371 HydrophobicContact CE1-CD2 3.42Å; F313-L371 VanDerWaalsContact CE1-CD2 3.42Å; F313-L371 HydrophobicContact CE2-CD2 4.11Å; F313-L371 HydrophobicContact CG-CD2 3.91Å; F313-L371 HydrophobicContact CZ-CD2 3.74Å; F313-A398 HydrophobicContact CE2-CB 3.69Å; F313-A398 HydrophobicContact CZ-CB 3.79Å; F313-S399 CarbonylContact C-O 3.59Å; F313-S399 WeakPolarHBondContact CA-O 3.34Å; F313-V400 HydrophobicContact CD2-CG2 4.19Å
314R97.8Very high95.1Very high29 Ų2935.9 Ų35.911%0.10917%0.173CC..EExtended strand (participates in β ladder)trans-131.7137.2175.4-65.4-178.5167.6132.26.5111.7Y106 L312 Y356 L357 E358 A398 S399 E401Y106-R314 PolarHBondContact O-NH2 3.15Å; L312-R314 HydrophobicContact CG-CG 4.4Å; R314-Y356 HydrophobicContact CB-CE2 4.45Å; R314-Y356 WeakPolarHBondContact CD-OH 3.33Å; R314-Y356 PolarHBondContact NE-OH 3.35Å; R314-L357 VanDerWaalsContact CA-O 3.24Å; R314-L357 WeakPolarHBondContact CA-O 3.21Å; R314-E358 HydrophobicContact CG-CB 4.46Å; R314-E358 HydrophobicContact CG-CG 4.12Å; R314-E358 IonicContact CZ-OE1 3.78Å; R314-E358 IonicContact NE-OE1 2.72Å; R314-E358 PolarHBondContact NE-OE1 3.33Å; R314-E358 IonicContact NH2-OE1 3.5Å; R314-A398 CarbonylContact O-C 3.47Å; R314-A398 WeakPolarHBondContact O-CA 3.25Å; R314-S399 PolarHBondContact N-O 3.19Å; R314-S399 PolarHBondContact O-N 3.35Å; R314-E401 IonicContact CZ-OE2 3.46Å; R314-E401 IonicContact NH1-OE2 3.39Å; R314-E401 PolarHBondContact NH1-OE2 3.2Å; R314-E401 IonicContact NH2-OE2 3.61Å
315H97.7Very high95.4Very high2 Ų236 Ų361%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-143.5123.1175.4-164.3178.6000110.7H299 F313 L357 A398H299-H315 AromaticContact CE1-CE1 3.34Å; H299-H315 PolarHBondContact CE1-CE1 2.88Å; H299-H315 AromaticContact CE1-ND1 3.32Å; H299-H315 PolarHBondContact CE1-ND1 2.97Å; H299-H315 VanDerWaalsContact CE1-ND1 3.32Å; H299-H315 AromaticContact NE2-CE1 3.39Å; H299-H315 PolarHBondContact NE2-CE1 2.83Å; H299-H315 AromaticContact NE2-ND1 3.05Å; H299-H315 PolarHBondContact NE2-ND1 3.26Å; F313-H315 HydrophobicContact CE1-CB 3.66Å; F313-H315 HydrophobicContact CZ-CB 3.74Å; H315-L357 PolarHBondContact N-O 3.31Å; H315-L357 PolarHBondContact O-N 3.45Å; H315-A398 HydrophobicContact CB-CB 4.14Å
316I97.5Very high95.7Very high12 Ų1243 Ų436%0.06220%0.204CC..EExtended strand (participates in β ladder)trans-95.3119.8171.1-57.2170.8000107.5V102 Y125 V127 P354 Y356 P396V102-I316 HydrophobicContact CG1-CD1 4.38Å; V102-I316 HydrophobicContact CG1-CG1 4.19Å; V102-I316 HydrophobicContact CG1-CG2 4.21Å; V102-I316 HydrophobicContact CG2-CD1 3.62Å; V102-I316 HydrophobicContact CG2-CG1 3.96Å; Y125-I316 HydrophobicContact CD1-CD1 3.55Å; Y125-I316 HydrophobicContact CE1-CD1 3.49Å; Y125-I316 VanDerWaalsContact CE1-CD1 3.49Å; V127-I316 HydrophobicContact CG2-CD1 4.08Å; I316-P354 HydrophobicContact CG2-CB 3.97Å; I316-P354 HydrophobicContact CG2-CG 4.11Å; I316-Y356 HydrophobicContact CG1-CD2 3.65Å; I316-Y356 HydrophobicContact CG1-CE2 3.79Å; I316-P396 HydrophobicContact CB-CB 4.17Å; I316-P396 HydrophobicContact CB-CG 4.3Å; I316-P396 HydrophobicContact CG2-CG 4.29Å
317I97.2Very high96Very high0 Ų037.8 Ų37.80%018%0.177CC..EExtended strand (participates in β ladder)trans-119.9122.4-178-64.8163.4000108F297 I321 I323 P354 H355 L357F297-I317 HydrophobicContact CD2-CD1 4.09Å; F297-I317 HydrophobicContact CE2-CD1 3.93Å; F297-I317 HydrophobicContact CE2-CG1 4.36Å; F297-I317 HydrophobicContact CE2-CG2 4.16Å; F297-I317 HydrophobicContact CZ-CG2 4.49Å; I317-I321 HydrophobicContact CG2-CB 3.65Å; I317-I321 HydrophobicContact CG2-CD1 4.3Å; I317-I321 HydrophobicContact CG2-CG1 4.48Å; I317-I321 HydrophobicContact CG2-CG2 3.6Å; I317-I323 HydrophobicContact CB-CD1 3.84Å; I317-I323 HydrophobicContact CD1-CD1 3.22Å; I317-I323 HydrophobicContact CD1-CG1 4.25Å; I317-I323 HydrophobicContact CG1-CD1 4.11Å; I317-I323 HydrophobicContact CG2-CD1 3.79Å; I317-I323 HydrophobicContact CG2-CG1 4.16Å; I317-P354 WeakPolarHBondContact O-CB 3.49Å; I317-H355 HydrophobicContact CB-CB 4.03Å; I317-H355 PolarHBondContact N-O 3.26Å; I317-H355 PolarHBondContact O-N 2.83Å; I317-L357 HydrophobicContact CD1-CD1 4.31Å
318P96.5Very high96.2Very high11 Ų1136.2 Ų36.27%0.07117%0.166CC..  trans-58.1153.7-178-26.335.4000113.6F320 I321 L395P318-F320 HydrophobicContact CB-CD1 3.69Å; P318-F320 HydrophobicContact CB-CD2 4.42Å; P318-F320 HydrophobicContact CB-CE1 3.26Å; P318-F320 HydrophobicContact CB-CE2 4.05Å; P318-F320 HydrophobicContact CB-CG 4.25Å; P318-F320 HydrophobicContact CB-CZ 3.46Å; P318-F320 VanDerWaalsContact CB-CZ 3.46Å; P318-F320 HydrophobicContact CG-CE1 3.93Å; P318-F320 HydrophobicContact CG-CE2 4.39Å; P318-F320 HydrophobicContact CG-CZ 3.71Å; P318-F320 PolarHBondContact O-N 3.01Å; P318-F320 VanDerWaalsContact O-N 3.12Å; P318-I321 PolarHBondContact O-N 2.87Å; P318-L395 HydrophobicContact CG-CD2 3.96Å
319W95.5Very high96.3Very high24 Ų2437.9 Ų37.99%0.09117%0.168CC..THydrogen-bonded Turntrans-60.3-23.8-177.260.9-95.2000114.9I321 A348 D350 R351 L353 L380W319-I321 PolarHBondContact O-N 3.27Å; W319-A348 HydrophobicContact CB-CB 3.96Å; W319-D350 HydrophobicContact CE3-CB 4.34Å; W319-R351 HydrophobicContact CD2-CG 4.44Å; W319-R351 HydrophobicContact CE3-CG 4.47Å; W319-R351 HydrophobicContact CH2-CG 3.68Å; W319-R351 HydrophobicContact CZ2-CB 4.41Å; W319-R351 HydrophobicContact CZ2-CG 3.61Å; W319-R351 HydrophobicContact CZ3-CG 4.13Å; W319-L353 WeakPolarHBondContact CB-O 3.27Å; W319-L380 HydrophobicContact CH2-CD2 3.5Å; W319-L380 VanDerWaalsContact CH2-CD2 3.5Å; W319-L380 HydrophobicContact CZ2-CD2 4.21Å; W319-L380 HydrophobicContact CZ3-CD2 4Å
320F94.7Very high96.5Very high18 Ų1839 Ų398%0.07917%0.172CC..THydrogen-bonded Turntrans-77.50.9178.358.4-104.9000113.5P318 S378 L380 F393 L395 M442P318-F320 HydrophobicContact CB-CD1 3.69Å; P318-F320 HydrophobicContact CB-CD2 4.42Å; P318-F320 HydrophobicContact CB-CE1 3.26Å; P318-F320 HydrophobicContact CB-CE2 4.05Å; P318-F320 HydrophobicContact CB-CG 4.25Å; P318-F320 HydrophobicContact CB-CZ 3.46Å; P318-F320 VanDerWaalsContact CB-CZ 3.46Å; P318-F320 HydrophobicContact CG-CE1 3.93Å; P318-F320 HydrophobicContact CG-CE2 4.39Å; P318-F320 HydrophobicContact CG-CZ 3.71Å; P318-F320 PolarHBondContact O-N 3.01Å; P318-F320 VanDerWaalsContact O-N 3.12Å; F320-S378 WeakPolarHBondContact CA-OG 3.49Å; F320-S378 VanDerWaalsContact CB-OG 3.29Å; F320-S378 WeakPolarHBondContact CB-OG 3.36Å; F320-S378 WeakPolarHBondContact O-CB 3.45Å; F320-S378 PolarHBondContact O-N 3.24Å; F320-S378 PolarHBondContact O-OG 3.05Å; F320-S378 VanDerWaalsContact O-OG 3.04Å; F320-L380 HydrophobicContact CB-CD2 3.55Å; F320-L380 HydrophobicContact CB-CG 4.45Å; F320-L380 HydrophobicContact CD1-CD2 4.47Å; F320-L380 HydrophobicContact CG-CD2 4.17Å; F320-F393 HydrophobicContact CE1-CD1 4.17Å; F320-F393 HydrophobicContact CE2-CB 4.15Å; F320-F393 HydrophobicContact CE2-CD1 4.24Å; F320-F393 HydrophobicContact CE2-CG 4.31Å; F320-F393 HydrophobicContact CZ-CB 4.09Å; F320-F393 AromaticContact CZ-CD1 3.77Å; F320-F393 HydrophobicContact CZ-CD1 3.77Å; F320-F393 HydrophobicContact CZ-CG 4.21Å; F320-L395 HydrophobicContact CE2-CD2 4.04Å; F320-L395 HydrophobicContact CZ-CD2 4.13Å; F320-M442 HydrophobicContact CB-CE 4.23Å; F320-M442 HydrophobicContact CD2-CE 3.86Å; F320-M442 HydrophobicContact CD2-SD 4.2Å; F320-M442 HydrophobicContact CG-CE 4.4Å
321I96.2Very high96.4Very high0 Ų041.1 Ų41.10%019%0.185CC..EExtended strand (participates in β ladder)trans-111.5119170.8-64-172.2000107.6F297 I317 P318 W319 I323 H355 F375 L395 V440F297-I321 HydrophobicContact CE2-CG2 3.83Å; F297-I321 HydrophobicContact CZ-CD1 3.96Å; F297-I321 HydrophobicContact CZ-CG2 4.02Å; I317-I321 HydrophobicContact CG2-CB 3.65Å; I317-I321 HydrophobicContact CG2-CD1 4.3Å; I317-I321 HydrophobicContact CG2-CG1 4.48Å; I317-I321 HydrophobicContact CG2-CG2 3.6Å; P318-I321 PolarHBondContact O-N 2.87Å; W319-I321 PolarHBondContact O-N 3.27Å; I321-I323 HydrophobicContact CG2-CG1 4.38Å; I321-H355 PolarHBondContact O-CD2 2.98Å; I321-H355 PolarHBondContact O-NE2 2.74Å; I321-F375 HydrophobicContact CG2-CB 3.75Å; I321-F375 HydrophobicContact CG2-CD2 3.44Å; I321-F375 VanDerWaalsContact CG2-CD2 3.44Å; I321-F375 HydrophobicContact CG2-CE2 4.14Å; I321-F375 HydrophobicContact CG2-CG 3.71Å; I321-L395 HydrophobicContact CD1-CD1 3.36Å; I321-L395 HydrophobicContact CD1-CD2 3.52Å; I321-L395 HydrophobicContact CD1-CG 4.08Å; I321-V440 HydrophobicContact CD1-CG2 4.29Å
322R95.7Very high96.3Very high126 Ų12641.5 Ų41.548%0.47519%0.187SC..EExtended strand (participates in β ladder)trans-97.8106.5-175.8-68.2-177.6174171.2-2.2110F375 D376R322-F375 CarbonylContact O-C 3.32Å; R322-F375 WeakPolarHBondContact O-CA 3.36Å; R322-F375 WeakPolarHBondContact O-CB 3.47Å; R322-D376 HydrophobicContact CB-CB 4.38Å; R322-D376 PolarHBondContact N-O 3.03Å; R322-D376 PolarHBondContact O-N 2.84Å
323I96.4Very high95.9Very high15 Ų1546.7 Ų46.78%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-87.1138.6-176.8-60.6174.9000111.3I317 I321 F325 H355 I373 F375I317-I323 HydrophobicContact CB-CD1 3.84Å; I317-I323 HydrophobicContact CD1-CD1 3.22Å; I317-I323 HydrophobicContact CD1-CG1 4.25Å; I317-I323 HydrophobicContact CG1-CD1 4.11Å; I317-I323 HydrophobicContact CG2-CD1 3.79Å; I317-I323 HydrophobicContact CG2-CG1 4.16Å; I321-I323 HydrophobicContact CG2-CG1 4.38Å; I323-F325 PolarHBondContact O-N 3.24Å; I323-H355 HydrophobicContact CD1-CB 3.59Å; I323-I373 HydrophobicContact CG2-CD1 3.11Å; I323-I373 HydrophobicContact CG2-CG1 3.57Å; I323-F375 HydrophobicContact CG1-CB 4.39Å
324Y96Very high95.2Very high82 Ų8250.9 Ų50.932%0.32226%0.259SS..  trans-93.389.2168.1-63-64000110.9H326 T327 N374 D376Y324-H326 PolarHBondContact O-N 2.94Å; Y324-H326 VanDerWaalsContact O-N 3.09Å; Y324-T327 WeakPolarHBondContact O-CB 3.34Å; Y324-T327 PolarHBondContact O-N 2.87Å; Y324-T327 PolarHBondContact O-OG1 3.26Å; Y324-N374 HydrophobicContact CD2-CB 4.17Å; Y324-N374 PolarHBondContact N-O 3.37Å; Y324-D376 HydrophobicContact CE2-CB 4.43Å; Y324-D376 WeakPolarHBondContact CE2-OD1 3.22Å; Y324-D376 VanDerWaalsContact OH-CG 3.31Å; Y324-D376 PolarHBondContact OH-OD2 3.47Å
325F96.5Very high94.5Very high82 Ų8252.4 Ų52.436%0.3627%0.268SS..G310 helixtrans-53.4-35.5-175.8-178.3-109.7000114.1I323 T327 L328 V343 Y345 L357I323-F325 PolarHBondContact O-N 3.24Å; F325-T327 PolarHBondContact O-N 3.21Å; F325-T327 VanDerWaalsContact O-N 3.1Å; F325-L328 HydrophobicContact CE2-CD2 3.94Å; F325-L328 VanDerWaalsContact O-CB 3.29Å; F325-L328 WeakPolarHBondContact O-CB 3.43Å; F325-L328 PolarHBondContact O-N 3.38Å; F325-V343 HydrophobicContact CE2-CG1 3.88Å; F325-V343 HydrophobicContact CZ-CB 4.38Å; F325-V343 HydrophobicContact CZ-CG1 4.11Å; F325-Y345 HydrophobicContact CB-CD1 4.15Å; F325-Y345 HydrophobicContact CB-CE1 3.81Å; F325-Y345 HydrophobicContact CD1-CD1 4.21Å; F325-Y345 AromaticContact CD2-CD1 3.69Å; F325-Y345 HydrophobicContact CD2-CD1 3.69Å; F325-Y345 AromaticContact CD2-CD2 4Å; F325-Y345 HydrophobicContact CD2-CD2 4Å; F325-Y345 HydrophobicContact CD2-CE1 4.14Å; F325-Y345 HydrophobicContact CD2-CE2 4.4Å; F325-Y345 AromaticContact CD2-CG 3.6Å; F325-Y345 HydrophobicContact CD2-CG 3.6Å; F325-Y345 HydrophobicContact CE2-CD1 4.13Å; F325-Y345 HydrophobicContact CE2-CD2 4.4Å; F325-Y345 AromaticContact CE2-CG 3.79Å; F325-Y345 HydrophobicContact CE2-CG 3.79Å; F325-Y345 AromaticContact CG-CD1 3.74Å; F325-Y345 HydrophobicContact CG-CD1 3.74Å; F325-Y345 AromaticContact CG-CE1 3.93Å; F325-Y345 HydrophobicContact CG-CE1 3.93Å; F325-Y345 HydrophobicContact CG-CG 4.15Å; F325-Y345 HydrophobicContact CZ-CG 4.47Å; F325-L357 HydrophobicContact CD2-CD2 4.21Å; F325-L357 HydrophobicContact CE2-CD2 4.1Å
326H95.8Very high93.4Very high158 Ų15858.2 Ų58.273%0.73131%0.309SS*.G310 helixtrans-63.7-14177.771.6-87.5000114.3Y324Y324-H326 PolarHBondContact O-N 2.94Å; Y324-H326 VanDerWaalsContact O-N 3.09Å
327T96.3Very high92.6Very high31 Ų3165.7 Ų65.719%0.1934%0.341CS..G310 helixtrans-91.6-0.4176.467.20000113.8Y324 F325 R329 N374Y324-T327 WeakPolarHBondContact O-CB 3.34Å; Y324-T327 PolarHBondContact O-N 2.87Å; Y324-T327 PolarHBondContact O-OG1 3.26Å; F325-T327 PolarHBondContact O-N 3.21Å; F325-T327 VanDerWaalsContact O-N 3.1Å; T327-R329 PolarHBondContact O-N 2.91Å; T327-R329 VanDerWaalsContact O-N 3.11Å; T327-N374 HydrophobicContact CG2-CB 4.02Å; T327-N374 WeakPolarHBondContact OG1-CB 3.33Å; T327-N374 PolarHBondContact OG1-N 3.45Å
328L97.2Very high92.2Very high26 Ų2671.9 Ų71.914%0.13637%0.374CS..  trans-60.8115.1177.6-177.565.6000110F325 M340 V343 L371 M372 I373F325-L328 HydrophobicContact CE2-CD2 3.94Å; F325-L328 VanDerWaalsContact O-CB 3.29Å; F325-L328 WeakPolarHBondContact O-CB 3.43Å; F325-L328 PolarHBondContact O-N 3.38Å; L328-M340 HydrophobicContact CD2-SD 4.19Å; L328-M340 HydrophobicContact CG-SD 4.4Å; L328-V343 HydrophobicContact CD2-CG1 4.11Å; L328-V343 HydrophobicContact CD2-CG2 4.04Å; L328-L371 HydrophobicContact CD1-CD1 3.77Å; L328-L371 HydrophobicContact CD1-CD2 4.49Å; L328-L371 HydrophobicContact CD1-CG 4.08Å; L328-M372 WeakPolarHBondContact CA-O 3.44Å; L328-I373 HydrophobicContact CB-CD1 4.08Å; L328-I373 HydrophobicContact CB-CG1 4.38Å; L328-I373 HydrophobicContact CD1-CB 4.11Å; L328-I373 HydrophobicContact CD1-CD1 4.07Å; L328-I373 HydrophobicContact CD1-CG1 4.47Å
329R95Very high91.9Very high147 Ų14774 Ų7456%0.55538%0.381SS*.EExtended strand (participates in β ladder)trans-128.5138.7179.165.7-175.7-166.6179.85.7110.6T327 L371 M372T327-R329 PolarHBondContact O-N 2.91Å; T327-R329 VanDerWaalsContact O-N 3.11Å; R329-L371 CarbonylContact O-C 3.59Å; R329-L371 WeakPolarHBondContact O-CA 3.25Å; R329-M372 HydrophobicContact CG-CB 3.7Å; R329-M372 HydrophobicContact CG-CG 4.49Å; R329-M372 PolarHBondContact N-O 3.39Å; R329-M372 PolarHBondContact NE-SD 2.96Å; R329-M372 VanDerWaalsContact NE-SD 3.37Å; R329-M372 PolarHBondContact NH2-SD 2.88Å; R329-M372 PolarHBondContact O-N 3.08Å
330F96.1Very high91.9Very high32 Ų3274.9 Ų74.914%0.1439%0.386CS..EExtended strand (participates in β ladder)trans-125123173.4-177.1-115.5000109L301 R339 M340 L361 L363 C369 S370 L371L301-F330 HydrophobicContact CD1-CE2 4.34Å; F330-R339 HydrophobicContact CD1-CB 4.38Å; F330-R339 HydrophobicContact CE1-CB 3.88Å; F330-M340 HydrophobicContact CB-CB 4.22Å; F330-M340 HydrophobicContact CB-SD 4Å; F330-M340 HydrophobicContact CD1-CB 4.15Å; F330-M340 HydrophobicContact CG-CB 4.49Å; F330-L361 HydrophobicContact CB-CD2 4.38Å; F330-L361 HydrophobicContact CD1-CD2 3.72Å; F330-L361 HydrophobicContact CD2-CD1 4.22Å; F330-L361 HydrophobicContact CD2-CD2 3.72Å; F330-L361 HydrophobicContact CE1-CD2 3.81Å; F330-L361 HydrophobicContact CE2-CD1 3.85Å; F330-L361 HydrophobicContact CE2-CD2 3.81Å; F330-L361 HydrophobicContact CE2-CG 4.31Å; F330-L361 HydrophobicContact CG-CD2 3.66Å; F330-L361 HydrophobicContact CZ-CB 4.2Å; F330-L361 HydrophobicContact CZ-CD1 4.28Å; F330-L361 HydrophobicContact CZ-CD2 3.85Å; F330-L361 HydrophobicContact CZ-CG 4.34Å; F330-L363 HydrophobicContact CZ-CD2 4.03Å; F330-C369 HydrophobicContact CE2-CB 3.49Å; F330-C369 VanDerWaalsContact CE2-CB 3.49Å; F330-C369 HydrophobicContact CZ-CB 3.49Å; F330-C369 VanDerWaalsContact CZ-CB 3.49Å; F330-S370 WeakPolarHBondContact CA-O 3.32Å; F330-S370 WeakPolarHBondContact CD2-O 3.45Å; F330-L371 HydrophobicContact CB-CD1 3.82Å; F330-L371 HydrophobicContact CD2-CB 4.07Å; F330-L371 HydrophobicContact CD2-CD1 3.9Å; F330-L371 HydrophobicContact CG-CD1 4.26Å
331S94.6Very high91.9Very high67 Ų6775.9 Ų75.947%0.46940%0.402SS..EExtended strand (participates in β ladder)trans-136.5137.4-178.6-175.60000110.1C369 S370S331-C369 CarbonylContact O-C 3.56Å; S331-C369 VanDerWaalsContact O-CA 3.25Å; S331-C369 WeakPolarHBondContact O-CA 3.49Å; S331-S370 PolarHBondContact N-O 3.13Å; S331-S370 PolarHBondContact O-N 3.15Å
332C94.6Very high91.8Very high8 Ų884 Ų845%0.05444%0.437CS..EExtended strand (participates in β ladder)trans-116.8140.3175-60.90000109.8G334 M335 N368 C369C332-G334 PolarHBondContact O-N 3.2Å; C332-M335 HydrophobicContact CB-CE 3.56Å; C332-M335 PolarHBondContact O-N 2.87Å; C332-N368 WeakPolarHBondContact CA-O 3.34Å; C332-C369 HydrophobicContact CB-CB 4.02Å; C332-C369 WeakPolarHBondContact CB-SG 3.5Å; C332-C369 WeakPolarHBondContact SG-CB 3.38Å; C332-C369 CovalentContact SG-SG 2.04Å; C332-C369 PolarHBondContact SG-SG 3.39Å
333D88.9Confident91.8Very high109 Ų10979.7 Ų79.758%0.58342%0.424SS*.THydrogen-bonded Turntrans-58127.9-178.4-66.7-19.4000110.6M335 N368D333-M335 VanDerWaalsContact C-N 3.32Å; D333-M335 PolarHBondContact O-N 3.4Å; D333-N368 PolarHBondContact N-O 2.95Å
334G83.1Confident91.8Very high89 Ų8981 Ų8192%0.91843%0.43SS*.THydrogen-bonded Turntrans75.67.7175.500000116.3C332C332-G334 PolarHBondContact O-N 3.2Å
335M83.1Confident91.9Very high61 Ų6180 Ų8030%0.343%0.426SS..BIsolated β-bridgetrans-130.9136.6179.3-68.4177.7-75.500113.4C332 D333 R339 P364C332-M335 HydrophobicContact CB-CE 3.56Å; C332-M335 PolarHBondContact O-N 2.87Å; D333-M335 VanDerWaalsContact C-N 3.32Å; D333-M335 PolarHBondContact O-N 3.4Å; M335-R339 PolarHBondContact SD-NE 2.95Å; M335-R339 PolarHBondContact SD-NH2 2.89Å; M335-P364 HydrophobicContact CE-CB 3.25Å; M335-P364 HydrophobicContact CE-CG 3.23Å; M335-P364 HydrophobicContact SD-CB 3.92Å
336S74.2Confident91.9Very high125 Ų12578.8 Ų78.887%0.87442%0.422SS*.  trans-98.7-16.1178.564.30000114.7
337K82Confident91.9Very high168 Ų16874 Ų7473%0.7341%0.41SS*.SBendtrans-68.8137.2-177.5-70.6-173.6179.1-1790110.8R339K337-R339 PolarHBondContact O-N 2.64Å
338N87.5Confident92Very high130 Ų13073.7 Ų73.770%0.69541%0.41SS*.  trans-64.1118.2170.6-175.313.3000109.7M340N338-M340 WeakPolarHBondContact OD1-CB 3.41Å; N338-M340 PolarHBondContact OD1-N 3.48Å; N338-M340 PolarHBondContact OD1-O 2.91Å
339R91.7Very high91.9Very high56 Ų5681 Ų8121%0.21144%0.436CS..  trans-113.413.1179.1-73.6178.8174.7-87.62112.2E308 F330 M335 K337 L362E308-R339 IonicContact OE2-NH1 3.76Å; F330-R339 HydrophobicContact CD1-CB 4.38Å; F330-R339 HydrophobicContact CE1-CB 3.88Å; M335-R339 PolarHBondContact SD-NE 2.95Å; M335-R339 PolarHBondContact SD-NH2 2.89Å; K337-R339 PolarHBondContact O-N 2.64Å; R339-L362 HydrophobicContact CB-CB 4.27Å; R339-L362 WeakPolarHBondContact CD-O 2.98Å; R339-L362 PolarHBondContact O-N 3.15Å
340M94.6Very high91.9Very high42 Ų4277.5 Ų77.521%0.20743%0.429CS..BIsolated β-bridgetrans-101.7125.4175-176.1168.765.800109.4L328 F330 N338 V343 V359 L361 L371L328-M340 HydrophobicContact CD2-SD 4.19Å; L328-M340 HydrophobicContact CG-SD 4.4Å; F330-M340 HydrophobicContact CB-CB 4.22Å; F330-M340 HydrophobicContact CB-SD 4Å; F330-M340 HydrophobicContact CD1-CB 4.15Å; F330-M340 HydrophobicContact CG-CB 4.49Å; N338-M340 WeakPolarHBondContact OD1-CB 3.41Å; N338-M340 PolarHBondContact OD1-N 3.48Å; N338-M340 PolarHBondContact OD1-O 2.91Å; M340-V343 HydrophobicContact CE-CG2 4.47Å; M340-V343 HydrophobicContact CG-CG2 4.11Å; M340-V343 HydrophobicContact SD-CG2 3.97Å; M340-V359 HydrophobicContact CG-CG1 3.65Å; M340-V359 HydrophobicContact SD-CG1 3.69Å; M340-L361 HydrophobicContact CB-CD2 4.04Å; M340-L361 HydrophobicContact CG-CD2 3.93Å; M340-L361 HydrophobicContact SD-CD2 4.49Å; M340-L371 HydrophobicContact SD-CD1 4.35Å
341G93.6Very high91.7Very high40 Ų4080.2 Ų80.241%0.41244%0.438SS..  trans-81.5-163.5176.600000113V343 P360G341-V343 PolarHBondContact O-N 3.12Å; G341-P360 PolarHBondContact N-O 3.02Å
342K94.9Very high91.7Very high171 Ų17178.3 Ų78.374%0.74342%0.424SS*.PPolyproline II helixtrans-67.3117.8177.7-174.5176.6-179.2176.30110.2Y106 P360Y106-K342 WeakPolarHBondContact CE2-O 2.88Å; Y106-K342 PolarHBondContact OH-O 2.97Å; K342-P360 WeakPolarHBondContact O-CD 3.22Å; K342-P360 WeakPolarHBondContact O-CG 2.95Å
343V96.6Very high91.8Very high34 Ų3481 Ų8121%0.20644%0.438CS..PPolyproline II helixtrans-81.6131.3179.7-178.40000110.3F325 L328 M340 G341 L357 V359F325-V343 HydrophobicContact CE2-CG1 3.88Å; F325-V343 HydrophobicContact CZ-CB 4.38Å; F325-V343 HydrophobicContact CZ-CG1 4.11Å; L328-V343 HydrophobicContact CD2-CG1 4.11Å; L328-V343 HydrophobicContact CD2-CG2 4.04Å; M340-V343 HydrophobicContact CE-CG2 4.47Å; M340-V343 HydrophobicContact CG-CG2 4.11Å; M340-V343 HydrophobicContact SD-CG2 3.97Å; G341-V343 PolarHBondContact O-N 3.12Å; V343-L357 HydrophobicContact CG1-CD2 4.35Å; V343-V359 HydrophobicContact CG1-CG2 3.95Å; V343-V359 HydrophobicContact CG2-CG1 4.11Å; V343-V359 HydrophobicContact CG2-CG2 4.36Å
344H96.7Very high92.2Very high42 Ų4275.9 Ų75.919%0.19441%0.41CS..EExtended strand (participates in β ladder)trans-94.4123.6163.3176.867.1000108.5M105 Y106 E358M105-H344 PolarHBondContact SD-CE1 3.33Å; M105-H344 PolarHBondContact SD-ND1 3.38Å; Y106-H344 HydrophobicContact CD2-CB 4.02Å; Y106-H344 HydrophobicContact CE2-CB 3.39Å; H344-E358 HydrophobicContact CB-CB 4.19Å; H344-E358 IonicContact CD2-OE2 3.83Å; H344-E358 PolarHBondContact N-O 3.17Å; H344-E358 PolarHBondContact O-N 3.45Å
345Y97.2Very high92.9Very high61 Ų6172.3 Ų72.324%0.23937%0.37CS..EExtended strand (participates in β ladder)trans-129.6126.6179.2171.3-121000110.1F325 A347 H355 Y356 L357F325-Y345 HydrophobicContact CB-CD1 4.15Å; F325-Y345 HydrophobicContact CB-CE1 3.81Å; F325-Y345 HydrophobicContact CD1-CD1 4.21Å; F325-Y345 AromaticContact CD2-CD1 3.69Å; F325-Y345 HydrophobicContact CD2-CD1 3.69Å; F325-Y345 AromaticContact CD2-CD2 4Å; F325-Y345 HydrophobicContact CD2-CD2 4Å; F325-Y345 HydrophobicContact CD2-CE1 4.14Å; F325-Y345 HydrophobicContact CD2-CE2 4.4Å; F325-Y345 AromaticContact CD2-CG 3.6Å; F325-Y345 HydrophobicContact CD2-CG 3.6Å; F325-Y345 HydrophobicContact CE2-CD1 4.13Å; F325-Y345 HydrophobicContact CE2-CD2 4.4Å; F325-Y345 AromaticContact CE2-CG 3.79Å; F325-Y345 HydrophobicContact CE2-CG 3.79Å; F325-Y345 AromaticContact CG-CD1 3.74Å; F325-Y345 HydrophobicContact CG-CD1 3.74Å; F325-Y345 AromaticContact CG-CE1 3.93Å; F325-Y345 HydrophobicContact CG-CE1 3.93Å; F325-Y345 HydrophobicContact CG-CG 4.15Å; F325-Y345 HydrophobicContact CZ-CG 4.47Å; Y345-A347 HydrophobicContact CE1-CB 4.04Å; Y345-H355 HydrophobicContact CE2-CB 4.47Å; Y345-H355 AromaticContact CE2-ND1 3.57Å; Y345-H355 AromaticContact CZ-ND1 3.59Å; Y345-H355 PolarHBondContact OH-CE1 2.89Å; Y345-H355 PolarHBondContact OH-ND1 2.83Å; Y345-Y356 WeakPolarHBondContact CA-O 3.49Å; Y345-L357 HydrophobicContact CD2-CD2 3.43Å; Y345-L357 VanDerWaalsContact CD2-CD2 3.43Å; Y345-L357 HydrophobicContact CD2-CG 4.14Å; Y345-L357 HydrophobicContact CE2-CD2 4.23Å; Y345-L357 HydrophobicContact CG-CD2 4.1Å
346Q96.2Very high93.6Very high58 Ų5869.4 Ų69.427%0.27136%0.356SS..EExtended strand (participates in β ladder)trans-106.4123.7167.3-178.1173.885.300108.4H355 Y356Q346-H355 VanDerWaalsContact O-CA 3.32Å; Q346-H355 WeakPolarHBondContact O-CA 3.49Å; Q346-Y356 PolarHBondContact N-O 2.77Å; Q346-Y356 PolarHBondContact O-N 3.46Å
347A97Very high94.7Very high58 Ų5863.6 Ų63.648%0.47932%0.315SS..  trans-77.3139.1174.500000110.8Y345Y345-A347 HydrophobicContact CE1-CB 4.04Å
348A96.9Very high95.5Very high24 Ų2455.6 Ų55.620%0.19828%0.28CS..  trans-65.4154.8172.600000111.6W319 L353 H355W319-A348 HydrophobicContact CB-CB 3.96Å; A348-L353 VanDerWaalsContact CA-O 3.23Å; A348-L353 WeakPolarHBondContact CA-O 3.4Å; A348-L353 VanDerWaalsContact CB-O 3.28Å; A348-L353 WeakPolarHBondContact CB-O 3.26Å; A348-H355 HydrophobicContact CB-CB 4.34Å; A348-H355 WeakPolarHBondContact CB-CD2 3.4Å; A348-H355 WeakPolarHBondContact CB-NE2 3.39Å; A348-H355 PolarHBondContact N-CE1 2.85Å; A348-H355 VanDerWaalsContact N-CE1 3.29Å; A348-H355 PolarHBondContact N-ND1 2.82Å
349R96.4Very high96Very high178 Ų17849.4 Ų49.467%0.67225%0.247SC*.BIsolated β-bridgetrans-128.2129.1165.7-176.7-175.6172.9179.90.7107.6R351 S352 L353R349-R351 PolarHBondContact O-N 3.1Å; R349-S352 VanDerWaalsContact CB-OG 3.25Å; R349-S352 WeakPolarHBondContact CB-OG 3.42Å; R349-S352 VanDerWaalsContact CD-OG 3.22Å; R349-S352 WeakPolarHBondContact CD-OG 3.36Å; R349-S352 WeakPolarHBondContact CG-OG 3.3Å; R349-S352 PolarHBondContact O-N 3.27Å; R349-S352 PolarHBondContact O-OG 2.93Å; R349-S352 VanDerWaalsContact O-OG 3.06Å; R349-L353 HydrophobicContact CB-CB 4.25Å; R349-L353 PolarHBondContact N-O 3.5Å; R349-L353 PolarHBondContact O-N 2.97Å
350D93.8Very high96.3Very high75 Ų7547.5 Ų47.540%0.40124%0.241SC..THydrogen-bonded Turntrans-42.1123.7-178-71.512.8000111.5W319 S352W319-D350 HydrophobicContact CE3-CB 4.34Å; D350-S352 PolarHBondContact O-N 3.03Å; D350-S352 PolarHBondContact O-OG 3.37Å
351R93Very high96.4Very high89 Ų8945.7 Ų45.734%0.33623%0.233SC..THydrogen-bonded Turntrans57.315.5176.2-53.7165.9-176.676.317.4115.9W319 R349 E384W319-R351 HydrophobicContact CD2-CG 4.44Å; W319-R351 HydrophobicContact CE3-CG 4.47Å; W319-R351 HydrophobicContact CH2-CG 3.68Å; W319-R351 HydrophobicContact CZ2-CB 4.41Å; W319-R351 HydrophobicContact CZ2-CG 3.61Å; W319-R351 HydrophobicContact CZ3-CG 4.13Å; R349-R351 PolarHBondContact O-N 3.1Å; R351-E384 IonicContact CZ-OE1 3.7Å; R351-E384 IonicContact NE-OE1 2.84Å; R351-E384 PolarHBondContact NE-OE1 3.09Å; R351-E384 IonicContact NH2-OE1 2.77Å; R351-E384 PolarHBondContact NH2-OE1 3.26Å; R351-E384 IonicContact NH2-OE2 3.76Å; R351-E384 PolarHBondContact NH2-OE2 2.73Å
352S94.9Very high96.5Very high26 Ų2646.5 Ų46.518%0.18223%0.227CC..THydrogen-bonded Turntrans-136.7-35-17450.90000114.3S98 A99 R349 D350S98-S352 CarbonylContact C-O 3.5Å; S98-S352 VanDerWaalsContact CB-O 3.27Å; S98-S352 WeakPolarHBondContact CB-O 3.41Å; S98-S352 VanDerWaalsContact O-O 3.06Å; S98-S352 PolarHBondContact OG-O 2.99Å; A99-S352 WeakPolarHBondContact CA-O 3.32Å; A99-S352 PolarHBondContact N-O 2.96Å; A99-S352 VanDerWaalsContact N-O 3.16Å; R349-S352 VanDerWaalsContact CB-OG 3.25Å; R349-S352 WeakPolarHBondContact CB-OG 3.42Å; R349-S352 VanDerWaalsContact CD-OG 3.22Å; R349-S352 WeakPolarHBondContact CD-OG 3.36Å; R349-S352 WeakPolarHBondContact CG-OG 3.3Å; R349-S352 PolarHBondContact O-N 3.27Å; R349-S352 PolarHBondContact O-OG 2.93Å; R349-S352 VanDerWaalsContact O-OG 3.06Å; D350-S352 PolarHBondContact O-N 3.03Å; D350-S352 PolarHBondContact O-OG 3.37Å
353L95.8Very high96.5Very high65 Ų6538.4 Ų38.434%0.3419%0.192SC..BIsolated β-bridgetrans-144.2138.5178.9-72.1171.6000110.8W319 A348 R349W319-L353 WeakPolarHBondContact CB-O 3.27Å; A348-L353 VanDerWaalsContact CA-O 3.23Å; A348-L353 WeakPolarHBondContact CA-O 3.4Å; A348-L353 VanDerWaalsContact CB-O 3.28Å; A348-L353 WeakPolarHBondContact CB-O 3.26Å; R349-L353 HydrophobicContact CB-CB 4.25Å; R349-L353 PolarHBondContact N-O 3.5Å; R349-L353 PolarHBondContact O-N 2.97Å
354P97.5Very high96.4Very high1 Ų137.2 Ų37.21%0.00619%0.185CC..  trans-79.3166172.134.8-33.5000111.3A99 V102 I316 I317A99-P354 WeakPolarHBondContact O-CD 3.39Å; V102-P354 HydrophobicContact CG1-CG 3.56Å; I316-P354 HydrophobicContact CG2-CB 3.97Å; I316-P354 HydrophobicContact CG2-CG 4.11Å; I317-P354 WeakPolarHBondContact O-CB 3.49Å
355H97.8Very high96.2Very high14 Ų1438 Ų387%0.06520%0.195CC..EExtended strand (participates in β ladder)trans-73.4138.2161.9-73.3-74.5000108.6I317 I321 I323 Y345 Q346 A348I317-H355 HydrophobicContact CB-CB 4.03Å; I317-H355 PolarHBondContact N-O 3.26Å; I317-H355 PolarHBondContact O-N 2.83Å; I321-H355 PolarHBondContact O-CD2 2.98Å; I321-H355 PolarHBondContact O-NE2 2.74Å; I323-H355 HydrophobicContact CD1-CB 3.59Å; Y345-H355 HydrophobicContact CE2-CB 4.47Å; Y345-H355 AromaticContact CE2-ND1 3.57Å; Y345-H355 AromaticContact CZ-ND1 3.59Å; Y345-H355 PolarHBondContact OH-CE1 2.89Å; Y345-H355 PolarHBondContact OH-ND1 2.83Å; Q346-H355 VanDerWaalsContact O-CA 3.32Å; Q346-H355 WeakPolarHBondContact O-CA 3.49Å; A348-H355 HydrophobicContact CB-CB 4.34Å; A348-H355 WeakPolarHBondContact CB-CD2 3.4Å; A348-H355 WeakPolarHBondContact CB-NE2 3.39Å; A348-H355 PolarHBondContact N-CE1 2.85Å; A348-H355 VanDerWaalsContact N-CE1 3.29Å; A348-H355 PolarHBondContact N-ND1 2.82Å
356Y97.9Very high95.9Very high1 Ų137.7 Ų37.70%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-134.5129.2175.9-173.8-129000110.6V102 P104 R314 I316 Y345 Q346 E358V102-Y356 HydrophobicContact CB-CD1 4.11Å; V102-Y356 HydrophobicContact CB-CD2 4.17Å; V102-Y356 HydrophobicContact CB-CE1 4.35Å; V102-Y356 HydrophobicContact CB-CE2 4.4Å; V102-Y356 HydrophobicContact CB-CG 4Å; V102-Y356 HydrophobicContact CG1-CD1 4.48Å; V102-Y356 HydrophobicContact CG1-CD2 4.03Å; V102-Y356 HydrophobicContact CG1-CG 3.9Å; V102-Y356 HydrophobicContact CG2-CD1 4.49Å; V102-Y356 HydrophobicContact CG2-CD2 4.02Å; V102-Y356 HydrophobicContact CG2-CE1 4.32Å; V102-Y356 HydrophobicContact CG2-CE2 3.84Å; V102-Y356 HydrophobicContact CG2-CG 4.33Å; P104-Y356 WeakPolarHBondContact CA-OH 3.26Å; R314-Y356 HydrophobicContact CB-CE2 4.45Å; R314-Y356 WeakPolarHBondContact CD-OH 3.33Å; R314-Y356 PolarHBondContact NE-OH 3.35Å; I316-Y356 HydrophobicContact CG1-CD2 3.65Å; I316-Y356 HydrophobicContact CG1-CE2 3.79Å; Y345-Y356 WeakPolarHBondContact CA-O 3.49Å; Q346-Y356 PolarHBondContact N-O 2.77Å; Q346-Y356 PolarHBondContact O-N 3.46Å; Y356-E358 HydrophobicContact CD1-CG 4.2Å; Y356-E358 HydrophobicContact CE1-CG 3.52Å; Y356-E358 HydrophobicContact CE2-CG 4.47Å; Y356-E358 PolarHBondContact OH-OE1 3.43Å
357L97.8Very high95.7Very high3 Ų335.6 Ų35.62%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-118.8130.3179.1-71.2166.4000109.3R314 H315 I317 F325 V343 Y345 V359 I373R314-L357 VanDerWaalsContact CA-O 3.24Å; R314-L357 WeakPolarHBondContact CA-O 3.21Å; H315-L357 PolarHBondContact N-O 3.31Å; H315-L357 PolarHBondContact O-N 3.45Å; I317-L357 HydrophobicContact CD1-CD1 4.31Å; F325-L357 HydrophobicContact CD2-CD2 4.21Å; F325-L357 HydrophobicContact CE2-CD2 4.1Å; V343-L357 HydrophobicContact CG1-CD2 4.35Å; Y345-L357 HydrophobicContact CD2-CD2 3.43Å; Y345-L357 VanDerWaalsContact CD2-CD2 3.43Å; Y345-L357 HydrophobicContact CD2-CG 4.14Å; Y345-L357 HydrophobicContact CE2-CD2 4.23Å; Y345-L357 HydrophobicContact CG-CD2 4.1Å; L357-V359 HydrophobicContact CB-CG2 4.44Å; L357-I373 HydrophobicContact CD1-CD1 4.15Å
358E98Very high95.6Very high0 Ų036 Ų360%020%0.199CC..EExtended strand (participates in β ladder)trans-124.1116.9163-48.3-170.4129.400109.1P104 M105 Y106 L312 F313 R314 H344 Y356P104-E358 VanDerWaalsContact CA-OE1 3.24Å; P104-E358 WeakPolarHBondContact CA-OE1 3.37Å; M105-E358 WeakPolarHBondContact CA-OE2 3.49Å; M105-E358 WeakPolarHBondContact CB-OE2 3.42Å; M105-E358 PolarHBondContact N-OE1 2.68Å; M105-E358 VanDerWaalsContact N-OE1 3.07Å; M105-E358 PolarHBondContact N-OE2 3.42Å; Y106-E358 WeakPolarHBondContact CB-OE2 3.42Å; Y106-E358 HydrophobicContact CD2-CB 3.74Å; Y106-E358 HydrophobicContact CE2-CB 4.38Å; Y106-E358 PolarHBondContact N-OE2 2.86Å; L312-E358 HydrophobicContact CD1-CB 4.29Å; F313-E358 CarbonylContact O-C 3.59Å; F313-E358 WeakPolarHBondContact O-CA 3.5Å; R314-E358 HydrophobicContact CG-CB 4.46Å; R314-E358 HydrophobicContact CG-CG 4.12Å; R314-E358 IonicContact CZ-OE1 3.78Å; R314-E358 IonicContact NE-OE1 2.72Å; R314-E358 PolarHBondContact NE-OE1 3.33Å; R314-E358 IonicContact NH2-OE1 3.5Å; H344-E358 HydrophobicContact CB-CB 4.19Å; H344-E358 IonicContact CD2-OE2 3.83Å; H344-E358 PolarHBondContact N-O 3.17Å; H344-E358 PolarHBondContact O-N 3.45Å; Y356-E358 HydrophobicContact CD1-CG 4.2Å; Y356-E358 HydrophobicContact CE1-CG 3.52Å; Y356-E358 HydrophobicContact CE2-CG 4.47Å; Y356-E358 PolarHBondContact OH-OE1 3.43Å
359V97.8Very high95.6Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-123.8106-171-172.90000108.5F313 M340 V343 L357 L361 L371F313-V359 HydrophobicContact CB-CB 4.24Å; F313-V359 HydrophobicContact CD1-CB 4.1Å; F313-V359 HydrophobicContact CD1-CG2 4.03Å; F313-V359 PolarHBondContact N-O 3.09Å; F313-V359 PolarHBondContact O-N 2.93Å; M340-V359 HydrophobicContact CG-CG1 3.65Å; M340-V359 HydrophobicContact SD-CG1 3.69Å; V343-V359 HydrophobicContact CG1-CG2 3.95Å; V343-V359 HydrophobicContact CG2-CG1 4.11Å; V343-V359 HydrophobicContact CG2-CG2 4.36Å; L357-V359 HydrophobicContact CB-CG2 4.44Å; V359-L361 HydrophobicContact CB-CG 4.42Å; V359-L361 HydrophobicContact CG1-CD1 4.37Å; V359-L361 HydrophobicContact CG1-CD2 3.47Å; V359-L361 VanDerWaalsContact CG1-CD2 3.47Å; V359-L361 HydrophobicContact CG1-CG 3.79Å; V359-L361 PolarHBondContact O-N 2.83Å; V359-L371 HydrophobicContact CG1-CD1 4.45Å; V359-L371 HydrophobicContact CG2-CD2 4.49Å
360P97.7Very high95.6Very high15 Ų1528.2 Ų28.210%0.09717%0.17CC..EExtended strand (participates in β ladder)trans-63.1122.3166.3-2537.3000110.1Y106 I114 L312 G341 K342Y106-P360 HydrophobicContact CD2-CG 4.25Å; Y106-P360 HydrophobicContact CE2-CG 4.21Å; I114-P360 HydrophobicContact CB-CB 4.46Å; I114-P360 HydrophobicContact CB-CG 4.45Å; I114-P360 HydrophobicContact CD1-CB 3.54Å; I114-P360 HydrophobicContact CD1-CG 4.19Å; I114-P360 HydrophobicContact CG2-CB 4.47Å; I114-P360 HydrophobicContact CG2-CG 3.98Å; L312-P360 HydrophobicContact CD1-CG 4.41Å; G341-P360 PolarHBondContact N-O 3.02Å; K342-P360 WeakPolarHBondContact O-CD 3.22Å; K342-P360 WeakPolarHBondContact O-CG 2.95Å
361L96.8Very high95.8Very high5 Ų524.8 Ų24.83%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-130141.1-178.9-61.5173.8000110.1L301 V311 F313 F330 M340 V359L301-L361 HydrophobicContact CD1-CD1 3.38Å; V311-L361 HydrophobicContact CG2-CB 3.71Å; V311-L361 PolarHBondContact N-O 3.47Å; V311-L361 PolarHBondContact O-N 2.73Å; V311-L361 VanDerWaalsContact O-O 3.08Å; F313-L361 HydrophobicContact CB-CD1 3.78Å; F313-L361 HydrophobicContact CB-CG 4.5Å; F313-L361 HydrophobicContact CG-CD1 4.45Å; F330-L361 HydrophobicContact CB-CD2 4.38Å; F330-L361 HydrophobicContact CD1-CD2 3.72Å; F330-L361 HydrophobicContact CD2-CD1 4.22Å; F330-L361 HydrophobicContact CD2-CD2 3.72Å; F330-L361 HydrophobicContact CE1-CD2 3.81Å; F330-L361 HydrophobicContact CE2-CD1 3.85Å; F330-L361 HydrophobicContact CE2-CD2 3.81Å; F330-L361 HydrophobicContact CE2-CG 4.31Å; F330-L361 HydrophobicContact CG-CD2 3.66Å; F330-L361 HydrophobicContact CZ-CB 4.2Å; F330-L361 HydrophobicContact CZ-CD1 4.28Å; F330-L361 HydrophobicContact CZ-CD2 3.85Å; F330-L361 HydrophobicContact CZ-CG 4.34Å; M340-L361 HydrophobicContact CB-CD2 4.04Å; M340-L361 HydrophobicContact CG-CD2 3.93Å; M340-L361 HydrophobicContact SD-CD2 4.49Å; V359-L361 HydrophobicContact CB-CG 4.42Å; V359-L361 HydrophobicContact CG1-CD1 4.37Å; V359-L361 HydrophobicContact CG1-CD2 3.47Å; V359-L361 VanDerWaalsContact CG1-CD2 3.47Å; V359-L361 HydrophobicContact CG1-CG 3.79Å; V359-L361 PolarHBondContact O-N 2.83Å
362L95.3Very high96Very high57 Ų5721.5 Ų21.530%0.29814%0.14SC..EExtended strand (participates in β ladder)trans-107.7108.9172.7-174.964.6000109.6E308 A310 R339E308-L362 HydrophobicContact CB-CD1 4.38Å; E308-L362 HydrophobicContact CG-CD1 4.42Å; A310-L362 HydrophobicContact CB-CD1 4.27Å; R339-L362 HydrophobicContact CB-CB 4.27Å; R339-L362 WeakPolarHBondContact CD-O 2.98Å; R339-L362 PolarHBondContact O-N 3.15Å
363L95.4Very high96.1Very high0 Ų020.4 Ų20.40%013%0.133CC..EExtended strand (participates in β ladder)trans-86.3126179.8-58.9-177.1000110.5V281 L301 N303 E308 V309 V311 F330 C369V281-L363 HydrophobicContact CG1-CD1 3.75Å; V281-L363 HydrophobicContact CG2-CD1 4.28Å; L301-L363 HydrophobicContact CB-CD1 4.21Å; L301-L363 HydrophobicContact CB-CD2 3.92Å; L301-L363 HydrophobicContact CD1-CD2 4.23Å; N303-L363 HydrophobicContact CB-CB 3.83Å; N303-L363 HydrophobicContact CB-CD1 4.25Å; E308-L363 VanDerWaalsContact CA-O 3.27Å; E308-L363 WeakPolarHBondContact CA-O 3.45Å; E308-L363 WeakPolarHBondContact CB-O 3.32Å; V309-L363 PolarHBondContact N-O 3.36Å; V309-L363 PolarHBondContact O-N 3.11Å; V311-L363 HydrophobicContact CG1-CD1 3.75Å; V311-L363 HydrophobicContact CG1-CG 4.05Å; V311-L363 HydrophobicContact CG2-CD1 4Å; V311-L363 HydrophobicContact CG2-CD2 4.45Å; V311-L363 HydrophobicContact CG2-CG 3.88Å; F330-L363 HydrophobicContact CZ-CD2 4.03Å; L363-C369 HydrophobicContact CD2-CB 4.07Å
364P94.8Very high96.2Very high9 Ų919.3 Ų19.36%0.05813%0.127CC..PPolyproline II helixtrans-63.7157.4175.134.6-43.5000111.8N303 M335 G366 C369N303-P364 WeakPolarHBondContact CB-O 3.43Å; N303-P364 PolarHBondContact ND2-O 2.84Å; M335-P364 HydrophobicContact CE-CB 3.25Å; M335-P364 HydrophobicContact CE-CG 3.23Å; M335-P364 HydrophobicContact SD-CB 3.92Å; P364-G366 PolarHBondContact O-N 2.91Å; P364-C369 WeakPolarHBondContact CD-SG 3.28Å
365S92.8Very high96.2Very high59 Ų5919.2 Ų19.241%0.41313%0.127SC..THydrogen-bonded Turntrans-62.5132.3168.9174.40000111A305 N306 G367A305-S365 WeakPolarHBondContact O-CA 3.46Å; A305-S365 WeakPolarHBondContact O-CB 3.47Å; A305-S365 PolarHBondContact O-OG 2.83Å; N306-S365 WeakPolarHBondContact CA-OG 3.36Å; N306-S365 PolarHBondContact O-OG 2.78Å; S365-G367 PolarHBondContact O-N 2.8Å
366G91.5Very high96.1Very high55 Ų5519.2 Ų19.257%0.56713%0.127SC*.THydrogen-bonded Turntrans63.55.417700000115.8N303 A305 P364N303-G366 CarbonylContact O-C 3.53Å; N303-G366 VanDerWaalsContact O-C 3.32Å; N303-G366 WeakPolarHBondContact O-CA 3.28Å; N303-G366 PolarHBondContact O-N 3.31Å; N303-G366 VanDerWaalsContact O-N 3.08Å; A305-G366 PolarHBondContact O-N 3.37Å; P364-G366 PolarHBondContact O-N 2.91Å
367G91Very high95.9Very high14 Ų1420.3 Ų20.314%0.14413%0.132CC..  trans-99.3157.1-172.100000114.1N303 S365N303-G367 PolarHBondContact N-O 3.29Å; N303-G367 VanDerWaalsContact N-O 3.11Å; N303-G367 PolarHBondContact O-N 3.45Å; S365-G367 PolarHBondContact O-N 2.8Å
368N95.4Very high95.6Very high67 Ų6720.3 Ų20.336%0.35813%0.132SC..EExtended strand (participates in β ladder)trans-106.5134.9173.1-57.2-27.3000109R302 C332 D333R302-N368 WeakPolarHBondContact CD-OD1 3.26Å; R302-N368 WeakPolarHBondContact CG-OD1 3.37Å; R302-N368 PolarHBondContact NE-OD1 3Å; C332-N368 WeakPolarHBondContact CA-O 3.34Å; D333-N368 PolarHBondContact N-O 2.95Å
369C96.7Very high95.3Very high5 Ų526.6 Ų26.63%0.03417%0.165CC..EExtended strand (participates in β ladder)trans-127.4151.4176-550000110.3E300 L301 F330 S331 C332 L363 P364E300-C369 CarbonylContact C-O 3.59Å; E300-C369 WeakPolarHBondContact CA-O 3.31Å; L301-C369 PolarHBondContact N-O 2.84Å; L301-C369 PolarHBondContact O-N 2.98Å; F330-C369 HydrophobicContact CE2-CB 3.49Å; F330-C369 VanDerWaalsContact CE2-CB 3.49Å; F330-C369 HydrophobicContact CZ-CB 3.49Å; F330-C369 VanDerWaalsContact CZ-CB 3.49Å; S331-C369 CarbonylContact O-C 3.56Å; S331-C369 VanDerWaalsContact O-CA 3.25Å; S331-C369 WeakPolarHBondContact O-CA 3.49Å; C332-C369 HydrophobicContact CB-CB 4.02Å; C332-C369 WeakPolarHBondContact CB-SG 3.5Å; C332-C369 WeakPolarHBondContact SG-CB 3.38Å; C332-C369 CovalentContact SG-SG 2.04Å; C332-C369 PolarHBondContact SG-SG 3.39Å; L363-C369 HydrophobicContact CD2-CB 4.07Å; P364-C369 WeakPolarHBondContact CD-SG 3.28Å
370S96.1Very high95Very high32 Ų3227.6 Ų27.622%0.22417%0.17CC..EExtended strand (participates in β ladder)trans-124.1128.3175.860.10000109.8H299 F330 S331H299-S370 WeakPolarHBondContact O-CA 3.48Å; F330-S370 WeakPolarHBondContact CA-O 3.32Å; F330-S370 WeakPolarHBondContact CD2-O 3.45Å; S331-S370 PolarHBondContact N-O 3.13Å; S331-S370 PolarHBondContact O-N 3.15Å
371L97Very high94.7Very high3 Ų334.1 Ų34.12%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-105122.6168.6-173.775.1000107.9H299 F313 L328 R329 F330 M340 V359H299-L371 HydrophobicContact CB-CB 4.29Å; H299-L371 PolarHBondContact N-O 2.77Å; H299-L371 PolarHBondContact O-N 3.35Å; F313-L371 HydrophobicContact CD1-CD2 3.51Å; F313-L371 HydrophobicContact CD2-CD2 4.19Å; F313-L371 HydrophobicContact CE1-CD2 3.42Å; F313-L371 VanDerWaalsContact CE1-CD2 3.42Å; F313-L371 HydrophobicContact CE2-CD2 4.11Å; F313-L371 HydrophobicContact CG-CD2 3.91Å; F313-L371 HydrophobicContact CZ-CD2 3.74Å; L328-L371 HydrophobicContact CD1-CD1 3.77Å; L328-L371 HydrophobicContact CD1-CD2 4.49Å; L328-L371 HydrophobicContact CD1-CG 4.08Å; R329-L371 CarbonylContact O-C 3.59Å; R329-L371 WeakPolarHBondContact O-CA 3.25Å; F330-L371 HydrophobicContact CB-CD1 3.82Å; F330-L371 HydrophobicContact CD2-CB 4.07Å; F330-L371 HydrophobicContact CD2-CD1 3.9Å; F330-L371 HydrophobicContact CG-CD1 4.26Å; M340-L371 HydrophobicContact SD-CD1 4.35Å; V359-L371 HydrophobicContact CG1-CD1 4.45Å; V359-L371 HydrophobicContact CG2-CD2 4.49Å
372M97.2Very high94.2Very high20 Ų2042.8 Ų42.810%0.09923%0.225CC..EExtended strand (participates in β ladder)trans-129144.4-177.3-56.2-179.855.100111.6T296 F297 V298 L328 R329T296-M372 HydrophobicContact CG2-CB 3.95Å; T296-M372 HydrophobicContact CG2-CE 3.49Å; T296-M372 VanDerWaalsContact CG2-CE 3.49Å; F297-M372 WeakPolarHBondContact O-CA 3.49Å; V298-M372 HydrophobicContact CB-CG 4.27Å; V298-M372 HydrophobicContact CG1-CG 4.01Å; V298-M372 HydrophobicContact CG1-SD 4.38Å; V298-M372 HydrophobicContact CG2-CE 3.52Å; V298-M372 HydrophobicContact CG2-CG 3.81Å; V298-M372 HydrophobicContact CG2-SD 4.04Å; L328-M372 WeakPolarHBondContact CA-O 3.44Å; R329-M372 HydrophobicContact CG-CB 3.7Å; R329-M372 HydrophobicContact CG-CG 4.49Å; R329-M372 PolarHBondContact N-O 3.39Å; R329-M372 PolarHBondContact NE-SD 2.96Å; R329-M372 VanDerWaalsContact NE-SD 3.37Å; R329-M372 PolarHBondContact NH2-SD 2.88Å; R329-M372 PolarHBondContact O-N 3.08Å
373I97.4Very high93.8Very high4 Ų444.3 Ų44.32%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-151.7135.6176.2-167.6168.3000110.6T296 F297 I323 L328 L357T296-I373 WeakPolarHBondContact CA-O 3.47Å; F297-I373 HydrophobicContact CB-CG2 3.92Å; F297-I373 HydrophobicContact CD2-CG2 4.07Å; F297-I373 PolarHBondContact N-O 2.81Å; F297-I373 PolarHBondContact O-N 3.34Å; F297-I373 VanDerWaalsContact O-N 3.07Å; I323-I373 HydrophobicContact CG2-CD1 3.11Å; I323-I373 HydrophobicContact CG2-CG1 3.57Å; L328-I373 HydrophobicContact CB-CD1 4.08Å; L328-I373 HydrophobicContact CB-CG1 4.38Å; L328-I373 HydrophobicContact CD1-CB 4.11Å; L328-I373 HydrophobicContact CD1-CD1 4.07Å; L328-I373 HydrophobicContact CD1-CG1 4.47Å; L357-I373 HydrophobicContact CD1-CD1 4.15Å
374N97.8Very high93.6Very high41 Ų4146.6 Ų46.622%0.21925%0.248CC..EExtended strand (participates in β ladder)trans-85.3149.6-178.3-64.6-4.1000111.7L295 T296 Y324 T327L295-N374 CarbonylContact O-C 3.44Å; L295-N374 WeakPolarHBondContact O-CA 3.46Å; T296-N374 WeakPolarHBondContact CB-OD1 3.48Å; T296-N374 VanDerWaalsContact CG2-OD1 3.27Å; T296-N374 WeakPolarHBondContact CG2-OD1 3.05Å; T296-N374 PolarHBondContact OG1-OD1 3.31Å; Y324-N374 HydrophobicContact CD2-CB 4.17Å; Y324-N374 PolarHBondContact N-O 3.37Å; T327-N374 HydrophobicContact CG2-CB 4.02Å; T327-N374 WeakPolarHBondContact OG1-CB 3.33Å; T327-N374 PolarHBondContact OG1-N 3.45Å
375F97.3Very high93.5Very high0 Ų047.3 Ų47.30%025%0.25CC..EExtended strand (participates in β ladder)trans-150.6159.3177.373.7-89.3000112.8V287 L295 F297 I321 R322 I323 K377V287-F375 HydrophobicContact CG1-CE1 4.03Å; V287-F375 HydrophobicContact CG1-CZ 3.84Å; V287-F375 HydrophobicContact CG2-CE1 4.41Å; V287-F375 HydrophobicContact CG2-CZ 4.35Å; L295-F375 HydrophobicContact CB-CD1 4.09Å; L295-F375 HydrophobicContact CB-CD2 4.23Å; L295-F375 HydrophobicContact CB-CE1 3.63Å; L295-F375 HydrophobicContact CB-CE2 3.82Å; L295-F375 HydrophobicContact CB-CG 4.4Å; L295-F375 HydrophobicContact CB-CZ 3.5Å; L295-F375 HydrophobicContact CD1-CE2 4.41Å; L295-F375 HydrophobicContact CD2-CE2 4.31Å; L295-F375 HydrophobicContact CD2-CZ 4.09Å; L295-F375 HydrophobicContact CG-CE2 4.41Å; L295-F375 HydrophobicContact CG-CZ 4.33Å; L295-F375 PolarHBondContact N-O 2.83Å; L295-F375 PolarHBondContact O-N 2.82Å; F297-F375 HydrophobicContact CD1-CD1 4.18Å; F297-F375 AromaticContact CD1-CE1 3.64Å; F297-F375 HydrophobicContact CD1-CE1 3.64Å; F297-F375 HydrophobicContact CD1-CZ 4.37Å; F297-F375 AromaticContact CD2-CD1 3.34Å; F297-F375 HydrophobicContact CD2-CD1 3.34Å; F297-F375 AromaticContact CD2-CE1 3.7Å; F297-F375 HydrophobicContact CD2-CE1 3.7Å; F297-F375 HydrophobicContact CD2-CG 4.13Å; F297-F375 HydrophobicContact CE1-CD1 4.15Å; F297-F375 AromaticContact CE1-CE1 3.53Å; F297-F375 HydrophobicContact CE1-CE1 3.53Å; F297-F375 AromaticContact CE1-CZ 3.84Å; F297-F375 HydrophobicContact CE1-CZ 3.84Å; F297-F375 HydrophobicContact CE2-CB 4.22Å; F297-F375 AromaticContact CE2-CD1 3.31Å; F297-F375 HydrophobicContact CE2-CD1 3.31Å; F297-F375 HydrophobicContact CE2-CD2 4.37Å; F297-F375 AromaticContact CE2-CE1 3.6Å; F297-F375 HydrophobicContact CE2-CE1 3.6Å; F297-F375 AromaticContact CE2-CG 3.72Å; F297-F375 HydrophobicContact CE2-CG 3.72Å; F297-F375 HydrophobicContact CE2-CZ 4.23Å; F297-F375 AromaticContact CG-CD1 3.8Å; F297-F375 HydrophobicContact CG-CD1 3.8Å; F297-F375 AromaticContact CG-CE1 3.72Å; F297-F375 HydrophobicContact CG-CE1 3.72Å; F297-F375 AromaticContact CZ-CD1 3.73Å; F297-F375 HydrophobicContact CZ-CD1 3.73Å; F297-F375 HydrophobicContact CZ-CD2 4.44Å; F297-F375 AromaticContact CZ-CE1 3.51Å; F297-F375 HydrophobicContact CZ-CE1 3.51Å; F297-F375 HydrophobicContact CZ-CE2 4.24Å; F297-F375 HydrophobicContact CZ-CG 4.17Å; F297-F375 AromaticContact CZ-CZ 3.77Å; F297-F375 HydrophobicContact CZ-CZ 3.77Å; I321-F375 HydrophobicContact CG2-CB 3.75Å; I321-F375 HydrophobicContact CG2-CD2 3.44Å; I321-F375 VanDerWaalsContact CG2-CD2 3.44Å; I321-F375 HydrophobicContact CG2-CE2 4.14Å; I321-F375 HydrophobicContact CG2-CG 3.71Å; R322-F375 CarbonylContact O-C 3.32Å; R322-F375 WeakPolarHBondContact O-CA 3.36Å; R322-F375 WeakPolarHBondContact O-CB 3.47Å; I323-F375 HydrophobicContact CG1-CB 4.39Å; F375-K377 HydrophobicContact CE2-CG 4.44Å
376D96.1Very high93.3Very high14 Ų1447.4 Ų47.48%0.07525%0.249CC..EExtended strand (participates in β ladder)trans-114.6154.6169.7-79.712.4000110.3H293 N294 R322 Y324H293-D376 WeakPolarHBondContact CA-OD1 3.46Å; H293-D376 IonicContact CE1-OD2 2.73Å; H293-D376 IonicContact CG-OD2 3.87Å; H293-D376 IonicContact ND1-OD2 3.61Å; H293-D376 PolarHBondContact ND1-OD2 3.1Å; N294-D376 PolarHBondContact N-OD1 2.81Å; R322-D376 HydrophobicContact CB-CB 4.38Å; R322-D376 PolarHBondContact N-O 3.03Å; R322-D376 PolarHBondContact O-N 2.84Å; Y324-D376 HydrophobicContact CE2-CB 4.43Å; Y324-D376 WeakPolarHBondContact CE2-OD1 3.22Å; Y324-D376 VanDerWaalsContact OH-CG 3.31Å; Y324-D376 PolarHBondContact OH-OD2 3.47Å
377K94.7Very high92.9Very high24 Ų2450.9 Ų50.910%0.10426%0.264CS..EExtended strand (participates in β ladder)trans-82.1149.5170.1-60.8173.6-169.7174.60109G291 F292 F375 V440 Y441 M442G291-K377 VanDerWaalsContact O-CE 3.28Å; G291-K377 WeakPolarHBondContact O-CE 3.39Å; G291-K377 PolarHBondContact O-NZ 2.65Å; F292-K377 HydrophobicContact CD2-CB 3.69Å; F292-K377 HydrophobicContact CD2-CD 4.36Å; F292-K377 WeakPolarHBondContact CE1-O 3.4Å; F292-K377 HydrophobicContact CE2-CB 3.62Å; F292-K377 HydrophobicContact CG-CB 4.27Å; F292-K377 HydrophobicContact CZ-CB 4.17Å; F292-K377 WeakPolarHBondContact CZ-O 3.48Å; F292-K377 PolarHBondContact O-N 3.19Å; F375-K377 HydrophobicContact CE2-CG 4.44Å; K377-V440 HydrophobicContact CD-CG1 4.11Å; K377-V440 HydrophobicContact CG-CG1 4.28Å; K377-Y441 WeakPolarHBondContact CD-O 3.46Å; K377-Y441 WeakPolarHBondContact CE-O 3.4Å; K377-Y441 PolarHBondContact NZ-O 2.87Å; K377-M442 HydrophobicContact CB-CE 4.2Å; K377-M442 HydrophobicContact CB-SD 3.94Å; K377-M442 HydrophobicContact CD-SD 4.13Å; K377-M442 HydrophobicContact CG-SD 4.01Å
378S91.8Very high92.6Very high3 Ų355.5 Ų55.52%0.02129%0.286CS..PPolyproline II helixtrans-99.9154.7169.579.10000111.4F320 M442F320-S378 WeakPolarHBondContact CA-OG 3.49Å; F320-S378 VanDerWaalsContact CB-OG 3.29Å; F320-S378 WeakPolarHBondContact CB-OG 3.36Å; F320-S378 WeakPolarHBondContact O-CB 3.45Å; F320-S378 PolarHBondContact O-N 3.24Å; F320-S378 PolarHBondContact O-OG 3.05Å; F320-S378 VanDerWaalsContact O-OG 3.04Å; S378-M442 WeakPolarHBondContact O-CE 3.42Å
379L90.3Very high92.2Very high131 Ų13152.7 Ų52.769%0.68627%0.272SS*.PPolyproline II helixtrans-74.8127.8168.7-65.2174000110.4F292 P443F292-L379 HydrophobicContact CE2-CD2 4.08Å; F292-L379 HydrophobicContact CZ-CD2 4.17Å; F292-L379 HydrophobicContact CZ-CG 4.18Å; L379-P443 HydrophobicContact CD2-CG 3.83Å
380L92.7Very high91.7Very high22 Ų2258.4 Ų58.412%0.11530%0.302CS..PPolyproline II helixtrans-94.7154175.8-64.8176.2000110.7W319 F320 E384 Y385 F393 M442W319-L380 HydrophobicContact CH2-CD2 3.5Å; W319-L380 VanDerWaalsContact CH2-CD2 3.5Å; W319-L380 HydrophobicContact CZ2-CD2 4.21Å; W319-L380 HydrophobicContact CZ3-CD2 4Å; F320-L380 HydrophobicContact CB-CD2 3.55Å; F320-L380 HydrophobicContact CB-CG 4.45Å; F320-L380 HydrophobicContact CD1-CD2 4.47Å; F320-L380 HydrophobicContact CG-CD2 4.17Å; L380-E384 WeakPolarHBondContact CA-OE2 3.31Å; L380-E384 HydrophobicContact CB-CB 4.27Å; L380-E384 HydrophobicContact CD2-CB 4.48Å; L380-Y385 HydrophobicContact CB-CD2 4.34Å; L380-Y385 HydrophobicContact CB-CE2 3.64Å; L380-Y385 HydrophobicContact CD1-CE1 4.17Å; L380-Y385 HydrophobicContact CD1-CE2 4.49Å; L380-F393 HydrophobicContact CD1-CE1 3.76Å; L380-F393 HydrophobicContact CD1-CE2 3.85Å; L380-F393 HydrophobicContact CD1-CZ 3.28Å; L380-M442 HydrophobicContact CD1-CB 4.34Å; L380-M442 HydrophobicContact CD1-CE 3.96Å; L380-M442 HydrophobicContact CD1-CG 4.19Å; L380-M442 HydrophobicContact CG-CE 3.94Å
381R91Very high91.3Very high151 Ų15165 Ų6557%0.5732%0.323SS*.PPolyproline II helixtrans-72.6153.4167.8-58.6178.3-175.9-174.5-1.5109.5T383 E384 Y385R381-T383 PolarHBondContact O-N 3.28Å; R381-T383 VanDerWaalsContact O-N 3.16Å; R381-E384 HydrophobicContact CB-CG 3.98Å; R381-E384 VanDerWaalsContact CD-OE1 3.26Å; R381-E384 WeakPolarHBondContact CD-OE1 3.38Å; R381-E384 WeakPolarHBondContact CG-OE1 3.22Å; R381-E384 PolarHBondContact N-OE2 3.1Å; R381-E384 IonicContact NE-OE1 2.91Å; R381-E384 WeakPolarHBondContact O-CB 3.41Å; R381-E384 PolarHBondContact O-N 3.16Å; R381-Y385 VanDerWaalsContact O-CD2 3.31Å; R381-Y385 WeakPolarHBondContact O-CD2 3.49Å
382W85.3Confident91Very high187 Ų18765.2 Ų65.271%0.70833%0.327SS*.G310 helixtrans-58.6-31.9-179.374.5-94.5000113.1E384 P445W382-E384 VanDerWaalsContact C-N 3.3Å; W382-E384 PolarHBondContact O-N 3.29Å; W382-P445 HydrophobicContact CB-CG 4.41Å
383T88.4Confident90.8Very high89 Ų8965.4 Ų65.455%0.54633%0.327SS..G310 helixtrans-76.7-11.1176.557.20000114.4R381R381-T383 PolarHBondContact O-N 3.28Å; R381-T383 VanDerWaalsContact O-N 3.16Å
384E91.2Very high90.7Very high49 Ų4969.8 Ų69.823%0.22934%0.343CS..G310 helixtrans-90-8.1-179-68165.2-176.700112R351 L380 R381 W382R351-E384 IonicContact CZ-OE1 3.7Å; R351-E384 IonicContact NE-OE1 2.84Å; R351-E384 PolarHBondContact NE-OE1 3.09Å; R351-E384 IonicContact NH2-OE1 2.77Å; R351-E384 PolarHBondContact NH2-OE1 3.26Å; R351-E384 IonicContact NH2-OE2 3.76Å; R351-E384 PolarHBondContact NH2-OE2 2.73Å; L380-E384 WeakPolarHBondContact CA-OE2 3.31Å; L380-E384 HydrophobicContact CB-CB 4.27Å; L380-E384 HydrophobicContact CD2-CB 4.48Å; R381-E384 HydrophobicContact CB-CG 3.98Å; R381-E384 VanDerWaalsContact CD-OE1 3.26Å; R381-E384 WeakPolarHBondContact CD-OE1 3.38Å; R381-E384 WeakPolarHBondContact CG-OE1 3.22Å; R381-E384 PolarHBondContact N-OE2 3.1Å; R381-E384 IonicContact NE-OE1 2.91Å; R381-E384 WeakPolarHBondContact O-CB 3.41Å; R381-E384 PolarHBondContact O-N 3.16Å; W382-E384 VanDerWaalsContact C-N 3.3Å; W382-E384 PolarHBondContact O-N 3.29Å
385Y91.1Very high90.5Very high24 Ų2467.8 Ų67.89%0.09433%0.333CS..SBendtrans-76.9138.4174.6-75.1-87.2000110.8L380 R381 A389 F393 M442 P443 T444 P445 F447L380-Y385 HydrophobicContact CB-CD2 4.34Å; L380-Y385 HydrophobicContact CB-CE2 3.64Å; L380-Y385 HydrophobicContact CD1-CE1 4.17Å; L380-Y385 HydrophobicContact CD1-CE2 4.49Å; R381-Y385 VanDerWaalsContact O-CD2 3.31Å; R381-Y385 WeakPolarHBondContact O-CD2 3.49Å; Y385-A389 HydrophobicContact CD1-CB 3.8Å; Y385-A389 HydrophobicContact CG-CB 4.34Å; Y385-F393 AromaticContact CD1-CE2 3.71Å; Y385-F393 HydrophobicContact CD1-CE2 3.71Å; Y385-F393 AromaticContact CD1-CZ 3.71Å; Y385-F393 HydrophobicContact CD1-CZ 3.71Å; Y385-F393 AromaticContact CE1-CE2 3.78Å; Y385-F393 HydrophobicContact CE1-CE2 3.78Å; Y385-F393 HydrophobicContact CE1-CZ 4.05Å; Y385-F393 HydrophobicContact CG-CZ 4.39Å; Y385-M442 HydrophobicContact CE1-CB 4.05Å; Y385-P443 PolarHBondContact OH-O 3.23Å; Y385-T444 HydrophobicContact CD1-CG2 4.43Å; Y385-T444 HydrophobicContact CE1-CG2 4.18Å; Y385-P445 HydrophobicContact CD2-CG 4.24Å; Y385-P445 VanDerWaalsContact CE2-CD 3.46Å; Y385-P445 HydrophobicContact CE2-CG 4.09Å; Y385-F447 HydrophobicContact CD1-CZ 4.46Å; Y385-F447 HydrophobicContact CD2-CZ 4.15Å; Y385-F447 AromaticContact CG-CZ 3.85Å; Y385-F447 HydrophobicContact CG-CZ 3.85Å
386P88.3Confident90.5Very high60 Ų6068.3 Ų68.339%0.3934%0.336SS..  trans-65.9159.616830.8-34.5000109.8D388 A389 F393P386-D388 PolarHBondContact O-N 3.11Å; P386-D388 VanDerWaalsContact O-N 3.08Å; P386-A389 PolarHBondContact O-N 3.13Å; P386-A389 VanDerWaalsContact O-N 3.15Å; P386-F393 VanDerWaalsContact CD-CZ 3.42Å; P386-F393 HydrophobicContact CG-CE1 4.48Å; P386-F393 HydrophobicContact CG-CZ 4.39Å
387S84.9Confident90.4Very high129 Ų12968.2 Ų68.290%0.90234%0.337SS*.THydrogen-bonded Turntrans-53.1-33177.9-53.90000112.8
388D84.6Confident90.5Very high111 Ų11167.1 Ų67.159%0.59433%0.332SS*.THydrogen-bonded Turntrans-10448.2179.7-68.8-28.8000112.5P386 N390 Y391P386-D388 PolarHBondContact O-N 3.11Å; P386-D388 VanDerWaalsContact O-N 3.08Å; D388-N390 PolarHBondContact O-N 3.42Å; D388-Y391 HydrophobicContact CB-CD2 4.01Å; D388-Y391 PolarHBondContact O-N 3.07Å
389A85.6Confident90.7Very high7 Ų767.2 Ų67.26%0.05833%0.333CS..G310 helixtrans-51.7-29.6-17600000114.9Y385 P386 Y391 G392 T444 F447Y385-A389 HydrophobicContact CD1-CB 3.8Å; Y385-A389 HydrophobicContact CG-CB 4.34Å; P386-A389 PolarHBondContact O-N 3.13Å; P386-A389 VanDerWaalsContact O-N 3.15Å; A389-Y391 VanDerWaalsContact C-N 3.26Å; A389-Y391 PolarHBondContact O-N 3.03Å; A389-G392 PolarHBondContact O-N 3.31Å; A389-G392 VanDerWaalsContact O-N 3.11Å; A389-T444 HydrophobicContact CB-CG2 3.84Å; A389-F447 HydrophobicContact CB-CE2 3.77Å; A389-F447 HydrophobicContact CB-CZ 4.22Å
390N86.3Confident91Very high126 Ų12661 Ų6167%0.67430%0.3SS*.G310 helixtrans-66.8-22.5179.7-66.6-35.8000113.8D388 G392D388-N390 PolarHBondContact O-N 3.42Å; N390-G392 PolarHBondContact O-N 3.16Å
391Y88.6Confident91.1Very high169 Ų16960.9 Ų60.966%0.66330%0.299SS*.G310 helixtrans-72.1-16.2173.9-87.2-87.7000112.8D388 A389 V439D388-Y391 HydrophobicContact CB-CD2 4.01Å; D388-Y391 PolarHBondContact O-N 3.07Å; A389-Y391 VanDerWaalsContact C-N 3.26Å; A389-Y391 PolarHBondContact O-N 3.03Å; Y391-V439 VanDerWaalsContact O-CG1 3.28Å; Y391-V439 WeakPolarHBondContact O-CG1 3.49Å
392G91.3Very high91.2Very high9 Ų953.7 Ų53.79%0.09327%0.272CS..  trans82.7170.5-173.600000113.1A389 N390A389-G392 PolarHBondContact O-N 3.31Å; A389-G392 VanDerWaalsContact O-N 3.11Å; N390-G392 PolarHBondContact O-N 3.16Å
393F93Very high91.4Very high24 Ų2446.8 Ų46.811%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-90.1121.2-178.5-72.5-105.6000109.5F320 L380 Y385 P386 V439 V440 M442F320-F393 HydrophobicContact CE1-CD1 4.17Å; F320-F393 HydrophobicContact CE2-CB 4.15Å; F320-F393 HydrophobicContact CE2-CD1 4.24Å; F320-F393 HydrophobicContact CE2-CG 4.31Å; F320-F393 HydrophobicContact CZ-CB 4.09Å; F320-F393 AromaticContact CZ-CD1 3.77Å; F320-F393 HydrophobicContact CZ-CD1 3.77Å; F320-F393 HydrophobicContact CZ-CG 4.21Å; L380-F393 HydrophobicContact CD1-CE1 3.76Å; L380-F393 HydrophobicContact CD1-CE2 3.85Å; L380-F393 HydrophobicContact CD1-CZ 3.28Å; Y385-F393 AromaticContact CD1-CE2 3.71Å; Y385-F393 HydrophobicContact CD1-CE2 3.71Å; Y385-F393 AromaticContact CD1-CZ 3.71Å; Y385-F393 HydrophobicContact CD1-CZ 3.71Å; Y385-F393 AromaticContact CE1-CE2 3.78Å; Y385-F393 HydrophobicContact CE1-CE2 3.78Å; Y385-F393 HydrophobicContact CE1-CZ 4.05Å; Y385-F393 HydrophobicContact CG-CZ 4.39Å; P386-F393 VanDerWaalsContact CD-CZ 3.42Å; P386-F393 HydrophobicContact CG-CE1 4.48Å; P386-F393 HydrophobicContact CG-CZ 4.39Å; F393-V439 WeakPolarHBondContact O-CA 3.14Å; F393-V440 PolarHBondContact N-O 3.33Å; F393-V440 PolarHBondContact O-N 3.49Å; F393-M442 HydrophobicContact CD2-CB 3.79Å; F393-M442 HydrophobicContact CD2-CG 3.28Å; F393-M442 HydrophobicContact CE2-CB 3.65Å; F393-M442 HydrophobicContact CE2-CG 3.56Å; F393-M442 HydrophobicContact CG-CG 3.99Å; F393-M442 HydrophobicContact CZ-CG 4.42Å
394R93.9Very high91.3Very high95 Ų9545.3 Ų45.336%0.35824%0.235SC..EExtended strand (participates in β ladder)trans-75.8132.1170.6-61.5-178.6-173.2142.16.4109P129 V439P129-R394 HydrophobicContact CB-CB 4.02Å; P129-R394 HydrophobicContact CG-CB 4.24Å; P129-R394 WeakPolarHBondContact CG-O 3.36Å; R394-V439 HydrophobicContact CG-CG2 4.25Å
395L95.2Very high91Very high0 Ų044 Ų440%023%0.231CC..PPolyproline II helixtrans-98.4149.5175.2-52.2-173.8000110.4F297 P318 F320 I321 A397 I438 V440F297-L395 HydrophobicContact CE1-CD1 3.74Å; F297-L395 HydrophobicContact CZ-CD1 3.69Å; P318-L395 HydrophobicContact CG-CD2 3.96Å; F320-L395 HydrophobicContact CE2-CD2 4.04Å; F320-L395 HydrophobicContact CZ-CD2 4.13Å; I321-L395 HydrophobicContact CD1-CD1 3.36Å; I321-L395 HydrophobicContact CD1-CD2 3.52Å; I321-L395 HydrophobicContact CD1-CG 4.08Å; L395-A397 PolarHBondContact O-N 3.38Å; L395-I438 HydrophobicContact CB-CB 4.43Å; L395-I438 HydrophobicContact CD1-CB 4.22Å; L395-I438 HydrophobicContact CD1-CG2 4.01Å; L395-I438 HydrophobicContact CG-CB 4.48Å; L395-I438 HydrophobicContact CG-CG2 4.49Å; L395-I438 PolarHBondContact N-O 3.42Å; L395-V440 HydrophobicContact CD1-CG2 3.63Å; L395-V440 HydrophobicContact CD2-CG2 4.5Å; L395-V440 HydrophobicContact CG-CG2 4.08Å
396P95.9Very high90.2Very high10 Ų1051 Ų517%0.06527%0.269CS..PPolyproline II helixtrans-53.8136.5168.6-2334.2000110.5V127 P129 I316V127-P396 HydrophobicContact CB-CB 4.38Å; V127-P396 HydrophobicContact CG1-CB 4.14Å; P129-P396 HydrophobicContact CG-CG 4.33Å; I316-P396 HydrophobicContact CB-CB 4.17Å; I316-P396 HydrophobicContact CB-CG 4.3Å; I316-P396 HydrophobicContact CG2-CG 4.29Å
397A95.4Very high89.2Confident12 Ų1255 Ų5510%0.09928%0.282CS..PPolyproline II helixtrans-67.4138.4177.700000110.7L395 F434 G435 Q437L395-A397 PolarHBondContact O-N 3.38Å; A397-F434 HydrophobicContact CB-CB 4.26Å; A397-F434 HydrophobicContact CB-CD1 4.49Å; A397-G435 WeakPolarHBondContact CB-O 3.49Å; A397-Q437 HydrophobicContact CB-CG 4.09Å
398A96.5Very high88.5Confident1 Ų150.5 Ų50.51%0.00825%0.25CC..PPolyproline II helixtrans-63.5147.216600000110.1I283 F313 R314 H315 F434 G435I283-A398 HydrophobicContact CD1-CB 3.97Å; F313-A398 HydrophobicContact CE2-CB 3.69Å; F313-A398 HydrophobicContact CZ-CB 3.79Å; R314-A398 CarbonylContact O-C 3.47Å; R314-A398 WeakPolarHBondContact O-CA 3.25Å; H315-A398 HydrophobicContact CB-CB 4.14Å; A398-F434 WeakPolarHBondContact O-CA 3.21Å; A398-G435 PolarHBondContact O-N 3.46Å
399S95.5Very high87.6Confident5 Ų550.6 Ų50.64%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-129.3155.7-178.869.10000112F313 R314 Q432 I433F313-S399 CarbonylContact C-O 3.59Å; F313-S399 WeakPolarHBondContact CA-O 3.34Å; R314-S399 PolarHBondContact N-O 3.19Å; R314-S399 PolarHBondContact O-N 3.35Å; S399-Q432 PolarHBondContact OG-NE2 2.59Å; S399-I433 CarbonylContact C-O 3.59Å; S399-I433 WeakPolarHBondContact CA-O 3.39Å; S399-I433 VanDerWaalsContact CB-O 3.29Å; S399-I433 WeakPolarHBondContact CB-O 3.33Å
400V95.7Very high86.9Confident0 Ų052.3 Ų52.30%026%0.258CS..EExtended strand (participates in β ladder)trans-131.9126.4177.9-175.90000108V281 I283 L301 V311 L312 F313 F402 Q432 I433V281-V400 HydrophobicContact CG1-CG1 4.25Å; I283-V400 HydrophobicContact CB-CG2 3.98Å; I283-V400 HydrophobicContact CD1-CG2 3.58Å; I283-V400 HydrophobicContact CG1-CG2 4.29Å; I283-V400 HydrophobicContact CG2-CG2 4.24Å; L301-V400 HydrophobicContact CD2-CG2 3.53Å; V311-V400 HydrophobicContact CB-CG1 3.58Å; V311-V400 HydrophobicContact CG1-CG1 4.13Å; V311-V400 HydrophobicContact CG2-CG1 3.89Å; L312-V400 WeakPolarHBondContact O-CA 3.45Å; F313-V400 HydrophobicContact CD2-CG2 4.19Å; V400-F402 HydrophobicContact CG1-CD1 4.33Å; V400-Q432 WeakPolarHBondContact O-CA 3.41Å; V400-I433 HydrophobicContact CB-CD1 4.47Å; V400-I433 HydrophobicContact CB-CG1 3.96Å; V400-I433 PolarHBondContact N-O 2.83Å; V400-I433 PolarHBondContact O-N 2.74Å
401E94.6Very high86.2Confident20 Ų2048.8 Ų48.89%0.09324%0.237CC..EExtended strand (participates in β ladder)trans-107.2130.7177.2-177-179.215500109.4L108 V311 L312 R314 P430 L431L108-E401 HydrophobicContact CD2-CG 4.34Å; L108-E401 WeakPolarHBondContact CD2-O 3.26Å; V311-E401 CarbonylContact C-O 3.53Å; V311-E401 WeakPolarHBondContact CA-O 3.37Å; L312-E401 HydrophobicContact CB-CB 4.28Å; L312-E401 PolarHBondContact N-O 3.1Å; L312-E401 PolarHBondContact O-N 3.37Å; R314-E401 IonicContact CZ-OE2 3.46Å; R314-E401 IonicContact NH1-OE2 3.39Å; R314-E401 PolarHBondContact NH1-OE2 3.2Å; R314-E401 IonicContact NH2-OE2 3.61Å; E401-P430 HydrophobicContact CG-CB 3.61Å; E401-P430 HydrophobicContact CG-CG 3.71Å; E401-P430 WeakPolarHBondContact OE1-CG 3.24Å; E401-L431 CarbonylContact C-O 3.57Å; E401-L431 VanDerWaalsContact CA-O 3.25Å; E401-L431 WeakPolarHBondContact CA-O 3.44Å
402F93.6Very high85.5Confident0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-155.8157-178.266.5-83000112.2L279 P280 V281 V309 V311 V400 L404 L431 I433L279-F402 HydrophobicContact CB-CZ 4.49Å; L279-F402 HydrophobicContact CD1-CZ 4.41Å; L279-F402 HydrophobicContact CD2-CZ 4.23Å; P280-F402 HydrophobicContact CG-CE2 3.97Å; V281-F402 HydrophobicContact CB-CD1 4.06Å; V281-F402 HydrophobicContact CB-CD2 4.33Å; V281-F402 HydrophobicContact CB-CE1 3.83Å; V281-F402 HydrophobicContact CB-CE2 4.11Å; V281-F402 HydrophobicContact CB-CG 4.31Å; V281-F402 HydrophobicContact CB-CZ 3.84Å; V281-F402 HydrophobicContact CG1-CD1 4.38Å; V281-F402 HydrophobicContact CG1-CE1 4.37Å; V281-F402 HydrophobicContact CG2-CD1 4.42Å; V281-F402 HydrophobicContact CG2-CD2 4.03Å; V281-F402 HydrophobicContact CG2-CE2 4.14Å; V281-F402 HydrophobicContact CG2-CG 4.17Å; V281-F402 HydrophobicContact CG2-CZ 4.38Å; V309-F402 HydrophobicContact CG1-CB 4.03Å; V309-F402 HydrophobicContact CG1-CD2 4.37Å; V311-F402 HydrophobicContact CB-CB 4.33Å; V311-F402 HydrophobicContact CG1-CB 3.82Å; V400-F402 HydrophobicContact CG1-CD1 4.33Å; F402-L404 HydrophobicContact CE2-CD2 4.12Å; F402-L431 HydrophobicContact CE1-CD2 4.24Å; F402-L431 HydrophobicContact CE1-CG 4.33Å; F402-L431 HydrophobicContact CE2-CD2 4.29Å; F402-L431 HydrophobicContact CZ-CD2 3.74Å; F402-L431 HydrophobicContact CZ-CG 4.28Å; F402-L431 PolarHBondContact N-O 2.88Å; F402-L431 PolarHBondContact O-N 3.31Å; F402-I433 HydrophobicContact CE1-CD1 3.82Å; F402-I433 HydrophobicContact CE1-CG1 3.94Å; F402-I433 HydrophobicContact CE1-CG2 4.09Å
403Y90.9Very high84.7Confident43 Ų4345 Ų4517%0.16923%0.227CC..PPolyproline II helixtrans-91.1140.1170.1-78.2-83.1000110.7L108 H109 K110 F428 P430L108-Y403 HydrophobicContact CD2-CD2 3.88Å; L108-Y403 HydrophobicContact CD2-CE2 4.22Å; L108-Y403 HydrophobicContact CG-CD2 3.97Å; L108-Y403 HydrophobicContact CG-CE2 3.96Å; H109-Y403 WeakPolarHBondContact O-CD2 3.41Å; H109-Y403 VanDerWaalsContact O-CE2 3.32Å; H109-Y403 WeakPolarHBondContact O-CE2 3.28Å; K110-Y403 VanDerWaalsContact CA-CE2 3.49Å; K110-Y403 HydrophobicContact CB-CD1 4.49Å; K110-Y403 HydrophobicContact CB-CE1 4.18Å; K110-Y403 HydrophobicContact CB-CE2 4.27Å; K110-Y403 HydrophobicContact CG-CD1 4.24Å; K110-Y403 HydrophobicContact CG-CE1 4.28Å; Y403-F428 WeakPolarHBondContact CE1-O 3.3Å; Y403-F428 PolarHBondContact OH-O 2.99Å; Y403-P430 HydrophobicContact CD1-CB 4.42Å; Y403-P430 HydrophobicContact CD2-CB 4.04Å; Y403-P430 HydrophobicContact CE1-CB 4.13Å; Y403-P430 HydrophobicContact CE2-CB 3.7Å; Y403-P430 HydrophobicContact CE2-CG 4.27Å; Y403-P430 HydrophobicContact CG-CB 4.4Å; Y403-P430 WeakPolarHBondContact OH-CD 3.49Å
404L86Confident84Confident57 Ų5743.9 Ų43.930%0.29822%0.222SC..PPolyproline II helixtrans-65.2130.8171.5-72.4171.1000109.4L279 P280 F402 T408L279-L404 HydrophobicContact CD2-CD2 4.17Å; P280-L404 HydrophobicContact CG-CD2 4.09Å; F402-L404 HydrophobicContact CE2-CD2 4.12Å; L404-T408 HydrophobicContact CD2-CG2 4.38Å
405P83.3Confident83.2Confident23 Ų2341.4 Ų41.415%0.14922%0.216CC..PPolyproline II helixtrans-56.9144173.1-23.532.6000111.1A305 V309 E407 T408A305-P405 HydrophobicContact CB-CG 4.21Å; V309-P405 HydrophobicContact CG2-CG 4.11Å; P405-E407 PolarHBondContact O-N 2.92Å; P405-E407 VanDerWaalsContact O-N 3.1Å; P405-T408 WeakPolarHBondContact O-CA 3.32Å; P405-T408 VanDerWaalsContact O-CB 3.26Å; P405-T408 WeakPolarHBondContact O-CB 3.36Å; P405-T408 PolarHBondContact O-N 2.87Å; P405-T408 PolarHBondContact O-OG1 3.39Å
406L76.1Confident82.4Confident171 Ų17144.3 Ų44.390%0.89523%0.233SC*.THydrogen-bonded Turntrans-55.5-30.7-177.1-70.9165.7000113.6T408L406-T408 PolarHBondContact O-N 3.2Å
407E67Low81.5Confident143 Ų14348.9 Ų48.967%0.66826%0.257SS*.THydrogen-bonded Turntrans-71-15.9176.7-61.1177.6-179.700113.2P405 E409P405-E407 PolarHBondContact O-N 2.92Å; P405-E407 VanDerWaalsContact O-N 3.1Å; E407-E409 PolarHBondContact O-N 3.26Å
408T68.8Low80.7Confident35 Ų3549.4 Ų49.422%0.21526%0.258CS..SBendtrans-84.997.4-178.4-44.20000108.5L404 P405 L406 S410L404-T408 HydrophobicContact CD2-CG2 4.38Å; P405-T408 WeakPolarHBondContact O-CA 3.32Å; P405-T408 VanDerWaalsContact O-CB 3.26Å; P405-T408 WeakPolarHBondContact O-CB 3.36Å; P405-T408 PolarHBondContact O-N 2.87Å; P405-T408 PolarHBondContact O-OG1 3.39Å; L406-T408 PolarHBondContact O-N 3.2Å; T408-S410 PolarHBondContact O-N 2.84Å
409E66.1Low79.7Confident113 Ų11355.6 Ų55.653%0.52829%0.29SS..  trans-52.7133.5164.5-64-165.4157.100109.2Y248 E407Y248-E409 HydrophobicContact CE2-CB 3.81Å; Y248-E409 PolarHBondContact OH-O 3.29Å; E407-E409 PolarHBondContact O-N 3.26Å
410S70.2Confident78.6Confident42 Ų4257.3 Ų57.329%0.29430%0.298SS..  trans-108.4148.4-179.863.80000110.5Y248 T408 H412 S413Y248-S410 VanDerWaalsContact OH-C 3.23Å; Y248-S410 PolarHBondContact OH-N 3.28Å; T408-S410 PolarHBondContact O-N 2.84Å; S410-H412 PolarHBondContact O-N 2.88Å; S410-H412 WeakPolarHBondContact OG-CB 3.23Å; S410-S413 WeakPolarHBondContact O-CB 3.48Å; S410-S413 PolarHBondContact O-N 3.29Å; S410-S413 PolarHBondContact O-OG 3.49Å
411F72.9Confident77.2Confident53 Ų5359.1 Ų59.123%0.23231%0.31CS..THydrogen-bonded Turntrans-52.7-21.7170.3-168.9-110.9000113.6L228 Y248 F253 D277 S413 V414 L415L228-F411 HydrophobicContact CD2-CE1 4.27Å; L228-F411 HydrophobicContact CD2-CZ 3.69Å; Y248-F411 PolarHBondContact OH-N 3.27Å; F253-F411 HydrophobicContact CD1-CE2 4.25Å; F253-F411 AromaticContact CE1-CE2 3.54Å; F253-F411 HydrophobicContact CE1-CE2 3.54Å; F253-F411 HydrophobicContact CE1-CZ 4.16Å; F253-F411 HydrophobicContact CZ-CD2 4.42Å; F253-F411 AromaticContact CZ-CE2 3.72Å; F253-F411 HydrophobicContact CZ-CE2 3.72Å; D277-F411 WeakPolarHBondContact OD2-CB 3.39Å; D277-F411 PolarHBondContact OD2-N 2.85Å; F411-S413 PolarHBondContact O-N 3.16Å; F411-V414 HydrophobicContact CD2-CB 4.21Å; F411-V414 HydrophobicContact CD2-CG2 4.12Å; F411-V414 HydrophobicContact CE2-CB 4.08Å; F411-V414 HydrophobicContact CE2-CG1 4.16Å; F411-V414 HydrophobicContact CE2-CG2 4.23Å; F411-V414 HydrophobicContact CZ-CG1 4.45Å; F411-V414 WeakPolarHBondContact O-CB 3.23Å; F411-V414 PolarHBondContact O-N 3.27Å; F411-L415 HydrophobicContact CD1-CD1 4.15Å; F411-L415 HydrophobicContact CD1-CD2 4.48Å; F411-L415 HydrophobicContact CD1-CG 4.09Å; F411-L415 HydrophobicContact CE1-CD1 4.32Å; F411-L415 HydrophobicContact CE1-CD2 3.88Å; F411-L415 HydrophobicContact CE1-CG 3.99Å; F411-L415 PolarHBondContact O-N 3.45Å
412H73.6Confident75.2Confident55 Ų5562.3 Ų62.326%0.25532%0.323SS..Hα-helixtrans-54.4-35173.5-173-82000112.4S410 V414 L415 V416S410-H412 PolarHBondContact O-N 2.88Å; S410-H412 WeakPolarHBondContact OG-CB 3.23Å; H412-V414 VanDerWaalsContact C-N 3.29Å; H412-V414 PolarHBondContact O-N 3.12Å; H412-L415 PolarHBondContact O-N 3.3Å; H412-L415 VanDerWaalsContact O-N 3.15Å; H412-V416 WeakPolarHBondContact CE1-CG2 3.21Å; H412-V416 WeakPolarHBondContact ND1-CG2 3.41Å; H412-V416 WeakPolarHBondContact O-CG2 3.43Å; H412-V416 PolarHBondContact O-N 2.91Å
413S74.8Confident73.2Confident43 Ų4364.5 Ų64.530%0.30135%0.346SS..Hα-helixtrans-59.4-37.6175.361.50000113Y248 S410 F411 N417Y248-S413 WeakPolarHBondContact CE2-OG 3.42Å; S410-S413 WeakPolarHBondContact O-CB 3.48Å; S410-S413 PolarHBondContact O-N 3.29Å; S410-S413 PolarHBondContact O-OG 3.49Å; F411-S413 PolarHBondContact O-N 3.16Å; S413-N417 VanDerWaalsContact O-CG 3.23Å; S413-N417 PolarHBondContact O-N 3.38Å; S413-N417 PolarHBondContact O-ND2 3.44Å
414V77.1Confident70.9Confident1 Ų168.7 Ų68.71%0.00638%0.376CS..Hα-helixtrans-66.4-43.5175.4-1780000110.4L228 Y248 F253 F411 H412 N417 F418L228-V414 HydrophobicContact CD2-CG1 4.27Å; Y248-V414 VanDerWaalsContact CB-CG2 3.43Å; Y248-V414 HydrophobicContact CD1-CG2 3.86Å; Y248-V414 HydrophobicContact CD2-CG2 3.81Å; Y248-V414 HydrophobicContact CG-CG2 3.42Å; Y248-V414 VanDerWaalsContact CG-CG2 3.42Å; F253-V414 HydrophobicContact CB-CG1 4.21Å; F253-V414 HydrophobicContact CD1-CG1 4.34Å; F253-V414 HydrophobicContact CD2-CG1 4.26Å; F253-V414 HydrophobicContact CD2-CG2 4.49Å; F253-V414 HydrophobicContact CG-CG1 4Å; F411-V414 HydrophobicContact CD2-CB 4.21Å; F411-V414 HydrophobicContact CD2-CG2 4.12Å; F411-V414 HydrophobicContact CE2-CB 4.08Å; F411-V414 HydrophobicContact CE2-CG1 4.16Å; F411-V414 HydrophobicContact CE2-CG2 4.23Å; F411-V414 HydrophobicContact CZ-CG1 4.45Å; F411-V414 WeakPolarHBondContact O-CB 3.23Å; F411-V414 PolarHBondContact O-N 3.27Å; H412-V414 VanDerWaalsContact C-N 3.29Å; H412-V414 PolarHBondContact O-N 3.12Å; V414-N417 PolarHBondContact O-N 2.85Å; V414-F418 HydrophobicContact CG1-CD2 3.98Å; V414-F418 HydrophobicContact CG1-CE2 3.79Å; V414-F418 WeakPolarHBondContact O-CD2 3.45Å; V414-F418 PolarHBondContact O-N 3.14Å
415L77.9Confident69Low43 Ų4367.4 Ų67.423%0.22537%0.372CS..Hα-helixtrans-64.1-42.2178.5-62.6175000111.6L228 F411 H412 F418 N419 M420 T421L228-L415 HydrophobicContact CD2-CD2 4.02Å; F411-L415 HydrophobicContact CD1-CD1 4.15Å; F411-L415 HydrophobicContact CD1-CD2 4.48Å; F411-L415 HydrophobicContact CD1-CG 4.09Å; F411-L415 HydrophobicContact CE1-CD1 4.32Å; F411-L415 HydrophobicContact CE1-CD2 3.88Å; F411-L415 HydrophobicContact CE1-CG 3.99Å; F411-L415 PolarHBondContact O-N 3.45Å; H412-L415 PolarHBondContact O-N 3.3Å; H412-L415 VanDerWaalsContact O-N 3.15Å; L415-F418 CarbonylContact O-C 3.05Å; L415-F418 PolarHBondContact O-N 3.01Å; L415-N419 PolarHBondContact O-N 3.22Å; L415-M420 HydrophobicContact CB-CB 4.23Å; L415-M420 HydrophobicContact CD2-CB 4.07Å; L415-M420 HydrophobicContact CD2-CE 4.42Å; L415-M420 HydrophobicContact CD2-SD 4.18Å; L415-M420 PolarHBondContact O-N 2.84Å; L415-T421 HydrophobicContact CB-CG2 3.59Å
416V78Confident67.4Low60 Ų6070 Ų7036%0.36438%0.384SS..Hα-helixtrans-60.8-45.5175.5171.70000111H412 F418 N419 T421H412-V416 WeakPolarHBondContact CE1-CG2 3.21Å; H412-V416 WeakPolarHBondContact ND1-CG2 3.41Å; H412-V416 WeakPolarHBondContact O-CG2 3.43Å; H412-V416 PolarHBondContact O-N 2.91Å; V416-F418 PolarHBondContact O-N 2.68Å; V416-F418 VanDerWaalsContact O-N 3.1Å; V416-N419 PolarHBondContact O-N 2.97Å; V416-N419 PolarHBondContact O-OD1 2.91Å; V416-T421 HydrophobicContact CG2-CG2 3.84Å
417N78.5Confident66.3Low107 Ų10765 Ų6557%0.57236%0.364SS*.Hα-helixtrans-60.1-23.9179.1-73.6-17.4000113.5T246 S413 V414T246-N417 HydrophobicContact CG2-CB 3.79Å; S413-N417 VanDerWaalsContact O-CG 3.23Å; S413-N417 PolarHBondContact O-N 3.38Å; S413-N417 PolarHBondContact O-ND2 3.44Å; V414-N417 PolarHBondContact O-N 2.85Å
418F77.9Confident66.2Low23 Ų2364 Ų6410%0.10136%0.357CS..THydrogen-bonded Turntrans-102.810.9176.5-66.2-57.7000113.6L228 A244 T246 F253 A255 V414 L415 V416 M420L228-F418 HydrophobicContact CD1-CD2 3.63Å; L228-F418 HydrophobicContact CD1-CE2 3.44Å; L228-F418 VanDerWaalsContact CD1-CE2 3.44Å; L228-F418 HydrophobicContact CD1-CZ 4.27Å; A244-F418 HydrophobicContact CB-CD1 4.2Å; A244-F418 HydrophobicContact CB-CE1 3.81Å; A244-F418 WeakPolarHBondContact O-CE1 3.44Å; T246-F418 HydrophobicContact CG2-CE1 3.84Å; T246-F418 HydrophobicContact CG2-CE2 3.91Å; T246-F418 HydrophobicContact CG2-CZ 3.51Å; T246-F418 WeakPolarHBondContact OG1-CE2 3.37Å; T246-F418 WeakPolarHBondContact OG1-CZ 3.47Å; F253-F418 HydrophobicContact CB-CE2 4.08Å; F253-F418 HydrophobicContact CB-CZ 4.43Å; A255-F418 HydrophobicContact CB-CB 4.3Å; A255-F418 HydrophobicContact CB-CD1 3.29Å; A255-F418 HydrophobicContact CB-CD2 4.1Å; A255-F418 HydrophobicContact CB-CE1 3.41Å; A255-F418 VanDerWaalsContact CB-CE1 3.41Å; A255-F418 HydrophobicContact CB-CE2 4.19Å; A255-F418 HydrophobicContact CB-CG 3.65Å; A255-F418 HydrophobicContact CB-CZ 3.86Å; V414-F418 HydrophobicContact CG1-CD2 3.98Å; V414-F418 HydrophobicContact CG1-CE2 3.79Å; V414-F418 WeakPolarHBondContact O-CD2 3.45Å; V414-F418 PolarHBondContact O-N 3.14Å; L415-F418 CarbonylContact O-C 3.05Å; L415-F418 PolarHBondContact O-N 3.01Å; V416-F418 PolarHBondContact O-N 2.68Å; V416-F418 VanDerWaalsContact O-N 3.1Å; F418-M420 HydrophobicContact CB-CG 3.86Å; F418-M420 HydrophobicContact CB-SD 4.06Å; F418-M420 PolarHBondContact O-N 2.78Å
419N74.7Confident66.8Low130 Ų13065.9 Ų65.970%0.69536%0.364SS*.THydrogen-bonded Turntrans52.733.8-175.4-59.3-28.4000113.1L415 V416L415-N419 PolarHBondContact O-N 3.22Å; V416-N419 PolarHBondContact O-N 2.97Å; V416-N419 PolarHBondContact O-OD1 2.91Å
420M72.3Confident67.9Low42 Ų4262.1 Ų62.121%0.20735%0.349CS..  trans-91.90.2179.2-65.6-177.171.500113F8 V226 L228 L415 F418F8-M420 WeakPolarHBondContact CE2-O 2.82Å; V226-M420 HydrophobicContact CB-CE 4.38Å; V226-M420 HydrophobicContact CB-CG 4.47Å; V226-M420 HydrophobicContact CB-SD 4.35Å; V226-M420 HydrophobicContact CG1-CE 4.43Å; V226-M420 HydrophobicContact CG1-CG 4.49Å; V226-M420 HydrophobicContact CG1-SD 3.97Å; L228-M420 HydrophobicContact CB-CE 4.18Å; L228-M420 HydrophobicContact CB-SD 4.02Å; L228-M420 HydrophobicContact CD2-SD 4.19Å; L415-M420 HydrophobicContact CB-CB 4.23Å; L415-M420 HydrophobicContact CD2-CB 4.07Å; L415-M420 HydrophobicContact CD2-CE 4.42Å; L415-M420 HydrophobicContact CD2-SD 4.18Å; L415-M420 PolarHBondContact O-N 2.84Å; F418-M420 HydrophobicContact CB-CG 3.86Å; F418-M420 HydrophobicContact CB-SD 4.06Å; F418-M420 PolarHBondContact O-N 2.78Å
421T66.4Low68.7Low38 Ų3861 Ų6123%0.23334%0.34CS..  trans-99.9125.3174.854.60000109.5L415 V416L415-T421 HydrophobicContact CB-CG2 3.59Å; V416-T421 HydrophobicContact CG2-CG2 3.84Å
422F53.2Low69.6Low87 Ų8761 Ų6138%0.38234%0.34SS..  trans-109.7129.1168.1-75.1-95.3000108.7F8F8-F422 HydrophobicContact CB-CB 3.79Å; F8-F422 HydrophobicContact CB-CD2 3.37Å; F8-F422 HydrophobicContact CB-CE2 4.14Å; F8-F422 HydrophobicContact CB-CG 3.73Å; F8-F422 HydrophobicContact CD1-CB 3.86Å; F8-F422 HydrophobicContact CD1-CD2 4.37Å; F8-F422 AromaticContact CD2-CD2 3.92Å; F8-F422 HydrophobicContact CD2-CD2 3.92Å; F8-F422 HydrophobicContact CG-CB 3.96Å; F8-F422 AromaticContact CG-CD2 3.65Å; F8-F422 HydrophobicContact CG-CD2 3.65Å; F8-F422 HydrophobicContact CG-CG 4.18Å
423G51.5Low70.4Confident46 Ų4658.9 Ų58.947%0.47433%0.331SS..SBendtrans92.2137.9-179.300000113.8S425G423-S425 PolarHBondContact O-N 2.77Å
424T41.8Very low71.3Confident131 Ų13158.4 Ų58.480%0.80432%0.323SS*.SBendtrans-77.1-2179.947.80000113.7F428T424-F428 WeakPolarHBondContact O-CD2 3.29Å
425S47.1Very low72Confident29 Ų2958.7 Ų58.720%0.20333%0.327CS..  trans-91.2-19.3-164.351.80000116.9G423 S427 F428G423-S425 PolarHBondContact O-N 2.77Å; S425-S427 VanDerWaalsContact C-N 3.3Å; S425-S427 PolarHBondContact O-N 3.16Å; S425-F428 PolarHBondContact O-N 2.77Å; S425-F428 VanDerWaalsContact O-N 3.14Å
426D49.8Very low72.6Confident77 Ų7760.4 Ų60.441%0.41233%0.334SS..G310 helixtrans-68-29.3-173.8-85.66.9000113.3F428D426-F428 PolarHBondContact O-N 2.78Å; D426-F428 VanDerWaalsContact O-N 3.14Å
427S52.5Low73.3Confident68 Ų6859.1 Ų59.148%0.47632%0.324SS..G310 helixtrans-70.6-5.6176.969.30000114.4S425S425-S427 VanDerWaalsContact C-N 3.3Å; S425-S427 PolarHBondContact O-N 3.16Å
428F65.6Low74Confident120 Ų12054.7 Ų54.753%0.52630%0.3SS..G310 helixtrans-115.5-9.6-177-62.7-80.7000114.3Y403 T424 S425 D426Y403-F428 WeakPolarHBondContact CE1-O 3.3Å; Y403-F428 PolarHBondContact OH-O 2.99Å; T424-F428 WeakPolarHBondContact O-CD2 3.29Å; S425-F428 PolarHBondContact O-N 2.77Å; S425-F428 VanDerWaalsContact O-N 3.14Å; D426-F428 PolarHBondContact O-N 2.78Å; D426-F428 VanDerWaalsContact O-N 3.14Å
429E80.9Confident74.7Confident76 Ų7656.7 Ų56.736%0.35531%0.314SS..SBendtrans-87.3139.8175.1-64.2-160.2173.900110.3K34K34-E429 VanDerWaalsContact NZ-CD 3.27Å; K34-E429 IonicContact NZ-OE1 3.72Å; K34-E429 PolarHBondContact NZ-OE1 3.22Å; K34-E429 IonicContact NZ-OE2 3.79Å; K34-E429 PolarHBondContact NZ-OE2 3.15Å
430P88.4Confident75.6Confident34 Ų3450.8 Ų50.822%0.22128%0.283CS..PPolyproline II helixtrans-70.4149.9176.128.4-30.7000110.4L108 E401 Y403L108-P430 HydrophobicContact CD2-CB 4.32Å; E401-P430 HydrophobicContact CG-CB 3.61Å; E401-P430 HydrophobicContact CG-CG 3.71Å; E401-P430 WeakPolarHBondContact OE1-CG 3.24Å; Y403-P430 HydrophobicContact CD1-CB 4.42Å; Y403-P430 HydrophobicContact CD2-CB 4.04Å; Y403-P430 HydrophobicContact CE1-CB 4.13Å; Y403-P430 HydrophobicContact CE2-CB 3.7Å; Y403-P430 HydrophobicContact CE2-CG 4.27Å; Y403-P430 HydrophobicContact CG-CB 4.4Å; Y403-P430 WeakPolarHBondContact OH-CD 3.49Å
431L88.4Confident76.5Confident17 Ų1756 Ų569%0.08930%0.301CS..EExtended strand (participates in β ladder)trans-81.2127.6175.2175.955.1000110.2Y51 L279 E401 F402 I433Y51-L431 HydrophobicContact CD2-CD2 4.29Å; Y51-L431 HydrophobicContact CE1-CD2 4.16Å; Y51-L431 HydrophobicContact CE2-CD1 3.67Å; Y51-L431 HydrophobicContact CE2-CD2 3.54Å; Y51-L431 HydrophobicContact CE2-CG 4.23Å; Y51-L431 VanDerWaalsContact CZ-CD2 3.48Å; Y51-L431 WeakPolarHBondContact OH-CD1 3.32Å; L279-L431 HydrophobicContact CD1-CD2 3.88Å; L279-L431 HydrophobicContact CD2-CD2 3.33Å; L279-L431 HydrophobicContact CG-CD2 4.25Å; E401-L431 CarbonylContact C-O 3.57Å; E401-L431 VanDerWaalsContact CA-O 3.25Å; E401-L431 WeakPolarHBondContact CA-O 3.44Å; F402-L431 HydrophobicContact CE1-CD2 4.24Å; F402-L431 HydrophobicContact CE1-CG 4.33Å; F402-L431 HydrophobicContact CE2-CD2 4.29Å; F402-L431 HydrophobicContact CZ-CD2 3.74Å; F402-L431 HydrophobicContact CZ-CG 4.28Å; F402-L431 PolarHBondContact N-O 2.88Å; F402-L431 PolarHBondContact O-N 3.31Å; L431-I433 HydrophobicContact CD2-CG2 4.27Å; L431-I433 HydrophobicContact CG-CG2 4.22Å
432Q90.5Very high77.7Confident53 Ų5354.7 Ų54.725%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-99.6128.5166.9-167.9175.418.600111.1S399 V400 F434S399-Q432 PolarHBondContact OG-NE2 2.59Å; V400-Q432 WeakPolarHBondContact O-CA 3.41Å; Q432-F434 HydrophobicContact CG-CE2 3.94Å; Q432-F434 HydrophobicContact CG-CZ 3.86Å
433I91.7Very high79.3Confident11 Ų1153.4 Ų53.46%0.05629%0.292CS..EExtended strand (participates in β ladder)trans-116152.7167.960.8175.2000110.8L279 V281 I283 S399 V400 F402 L431L279-I433 HydrophobicContact CD1-CG2 3.35Å; V281-I433 HydrophobicContact CG1-CD1 4.38Å; V281-I433 VanDerWaalsContact O-CD1 3.3Å; V281-I433 WeakPolarHBondContact O-CD1 3.07Å; I283-I433 HydrophobicContact CG2-CD1 3.92Å; I283-I433 HydrophobicContact CG2-CG1 4.04Å; S399-I433 CarbonylContact C-O 3.59Å; S399-I433 WeakPolarHBondContact CA-O 3.39Å; S399-I433 VanDerWaalsContact CB-O 3.29Å; S399-I433 WeakPolarHBondContact CB-O 3.33Å; V400-I433 HydrophobicContact CB-CD1 4.47Å; V400-I433 HydrophobicContact CB-CG1 3.96Å; V400-I433 PolarHBondContact N-O 2.83Å; V400-I433 PolarHBondContact O-N 2.74Å; F402-I433 HydrophobicContact CE1-CD1 3.82Å; F402-I433 HydrophobicContact CE1-CG1 3.94Å; F402-I433 HydrophobicContact CE1-CG2 4.09Å; L431-I433 HydrophobicContact CD2-CG2 4.27Å; L431-I433 HydrophobicContact CG-CG2 4.22Å
434F92.6Very high81Confident33 Ų3354 Ų5415%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-114.4139.3177.8-62.6-90.3000109.8V55 P57 A397 A398 Q432V55-F434 HydrophobicContact CG1-CD2 4.28Å; V55-F434 WeakPolarHBondContact O-CE2 3.32Å; P57-F434 HydrophobicContact CB-CD1 3.74Å; P57-F434 HydrophobicContact CB-CD2 4.39Å; P57-F434 HydrophobicContact CB-CE1 3.86Å; P57-F434 HydrophobicContact CB-CG 4.02Å; P57-F434 HydrophobicContact CB-CZ 4.26Å; P57-F434 HydrophobicContact CG-CD1 4.43Å; P57-F434 HydrophobicContact CG-CE1 4.06Å; P57-F434 HydrophobicContact CG-CE2 4.48Å; P57-F434 HydrophobicContact CG-CZ 4.1Å; A397-F434 HydrophobicContact CB-CB 4.26Å; A397-F434 HydrophobicContact CB-CD1 4.49Å; A398-F434 WeakPolarHBondContact O-CA 3.21Å; Q432-F434 HydrophobicContact CG-CE2 3.94Å; Q432-F434 HydrophobicContact CG-CZ 3.86Å
435G91.1Very high83Confident7 Ų750.2 Ų50.27%0.07227%0.265CS..  trans-76.9-176.7169.300000111.9A397 A398A397-G435 WeakPolarHBondContact CB-O 3.49Å; A398-G435 PolarHBondContact O-N 3.46Å
436E91.3Very high84.7Confident80 Ų8053.9 Ų53.937%0.37428%0.282SS..PPolyproline II helixtrans-66.6142.4174.9-59.7-176.9160.300110.6L43 L284L43-E436 HydrophobicContact CD1-CG 4.15Å; L43-E436 HydrophobicContact CD2-CG 4.25Å; L284-E436 VanDerWaalsContact CD1-CD 3.5Å; L284-E436 HydrophobicContact CD1-CG 4.12Å; L284-E436 WeakPolarHBondContact CD1-OE2 3.46Å
437Q92.1Very high86.3Confident33 Ų3354.3 Ų54.315%0.15428%0.28CS..PPolyproline II helixtrans-70.2132.9170.3-80.5-169.6-9.500109.7I58 P129 A397I58-Q437 VanDerWaalsContact C-NE2 3.27Å; I58-Q437 HydrophobicContact CB-CG 4.07Å; I58-Q437 VanDerWaalsContact CB-NE2 3.26Å; I58-Q437 HydrophobicContact CD1-CG 4.32Å; I58-Q437 PolarHBondContact O-NE2 3.2Å; P129-Q437 VanDerWaalsContact CB-NE2 3.28Å; A397-Q437 HydrophobicContact CB-CG 4.09Å
438I94.2Very high87.8Confident13 Ų1353.8 Ų53.87%0.06728%0.277CS..PPolyproline II helixtrans-88.4138.4176.1-66.4169.3000108.9V287 F297 L395 V440V287-I438 HydrophobicContact CG2-CB 4.46Å; V287-I438 HydrophobicContact CG2-CD1 4.05Å; V287-I438 HydrophobicContact CG2-CG1 4.42Å; V287-I438 HydrophobicContact CG2-CG2 3.3Å; F297-I438 HydrophobicContact CD1-CD1 3.67Å; F297-I438 HydrophobicContact CE1-CD1 3.89Å; F297-I438 HydrophobicContact CE1-CG2 4.32Å; L395-I438 HydrophobicContact CB-CB 4.43Å; L395-I438 HydrophobicContact CD1-CB 4.22Å; L395-I438 HydrophobicContact CD1-CG2 4.01Å; L395-I438 HydrophobicContact CG-CB 4.48Å; L395-I438 HydrophobicContact CG-CG2 4.49Å; L395-I438 PolarHBondContact N-O 3.42Å; I438-V440 HydrophobicContact CG2-CG2 3.84Å
439V93Very high88.8Confident66 Ų6654.1 Ų54.140%0.428%0.281SS..EExtended strand (participates in β ladder)trans-107.9125.5169.9-176.20000108.9Y391 F393 R394Y391-V439 VanDerWaalsContact O-CG1 3.28Å; Y391-V439 WeakPolarHBondContact O-CG1 3.49Å; F393-V439 WeakPolarHBondContact O-CA 3.14Å; R394-V439 HydrophobicContact CG-CG2 4.25Å
440V92.8Very high89Confident6 Ų654 Ų544%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-115.5123.8178.6-179.50000110.3I321 K377 F393 L395 I438 M442I321-V440 HydrophobicContact CD1-CG2 4.29Å; K377-V440 HydrophobicContact CD-CG1 4.11Å; K377-V440 HydrophobicContact CG-CG1 4.28Å; F393-V440 PolarHBondContact N-O 3.33Å; F393-V440 PolarHBondContact O-N 3.49Å; L395-V440 HydrophobicContact CD1-CG2 3.63Å; L395-V440 HydrophobicContact CD2-CG2 4.5Å; L395-V440 HydrophobicContact CG-CG2 4.08Å; I438-V440 HydrophobicContact CG2-CG2 3.84Å; V440-M442 HydrophobicContact CG1-SD 4.23Å; V440-M442 PolarHBondContact O-N 2.92Å
441Y91.6Very high88.9Confident152 Ų15259.7 Ų59.760%0.59631%0.305SS*.  trans-78.9117171.9-62.6-80.4000110.4K377K377-Y441 WeakPolarHBondContact CD-O 3.46Å; K377-Y441 WeakPolarHBondContact CE-O 3.4Å; K377-Y441 PolarHBondContact NZ-O 2.87Å
442M91.1Very high89.1Confident10 Ų1063.5 Ų63.55%0.04933%0.326CS..  trans-91.5153.5172.3-61.8-61.5-80.300109.4F320 K377 S378 L380 Y385 F393 V440 T444F320-M442 HydrophobicContact CB-CE 4.23Å; F320-M442 HydrophobicContact CD2-CE 3.86Å; F320-M442 HydrophobicContact CD2-SD 4.2Å; F320-M442 HydrophobicContact CG-CE 4.4Å; K377-M442 HydrophobicContact CB-CE 4.2Å; K377-M442 HydrophobicContact CB-SD 3.94Å; K377-M442 HydrophobicContact CD-SD 4.13Å; K377-M442 HydrophobicContact CG-SD 4.01Å; S378-M442 WeakPolarHBondContact O-CE 3.42Å; L380-M442 HydrophobicContact CD1-CB 4.34Å; L380-M442 HydrophobicContact CD1-CE 3.96Å; L380-M442 HydrophobicContact CD1-CG 4.19Å; L380-M442 HydrophobicContact CG-CE 3.94Å; Y385-M442 HydrophobicContact CE1-CB 4.05Å; F393-M442 HydrophobicContact CD2-CB 3.79Å; F393-M442 HydrophobicContact CD2-CG 3.28Å; F393-M442 HydrophobicContact CE2-CB 3.65Å; F393-M442 HydrophobicContact CE2-CG 3.56Å; F393-M442 HydrophobicContact CG-CG 3.99Å; F393-M442 HydrophobicContact CZ-CG 4.42Å; V440-M442 HydrophobicContact CG1-SD 4.23Å; V440-M442 PolarHBondContact O-N 2.92Å; M442-T444 PolarHBondContact O-N 3.34Å
443P87.3Confident89.2Confident59 Ų5964.7 Ų64.738%0.38334%0.336SS..  trans-68.194.3-179.728.2-34.7000111F292 L379 Y385F292-P443 HydrophobicContact CD2-CG 4.24Å; F292-P443 HydrophobicContact CE2-CG 3.92Å; L379-P443 HydrophobicContact CD2-CG 3.83Å; Y385-P443 PolarHBondContact OH-O 3.23Å
444T86.2Confident89.3Confident60 Ų6069.4 Ų69.437%0.36836%0.361SS..  trans-65128.2-179.451.50000110.9Y385 A389 M442Y385-T444 HydrophobicContact CD1-CG2 4.43Å; Y385-T444 HydrophobicContact CE1-CG2 4.18Å; A389-T444 HydrophobicContact CB-CG2 3.84Å; M442-T444 PolarHBondContact O-N 3.34Å
445P85.3Confident89.4Confident51 Ų5170.1 Ų70.133%0.33137%0.37SS..  trans-67.3163.9171.831-35.4000110.5W382 Y385 F447W382-P445 HydrophobicContact CB-CG 4.41Å; Y385-P445 HydrophobicContact CD2-CG 4.24Å; Y385-P445 VanDerWaalsContact CE2-CD 3.46Å; Y385-P445 HydrophobicContact CE2-CG 4.09Å; P445-F447 HydrophobicContact CG-CD1 4.46Å; P445-F447 HydrophobicContact CG-CE1 3.89Å; P445-F447 HydrophobicContact CG-CE2 4.12Å; P445-F447 HydrophobicContact CG-CZ 3.69Å; P445-F447 WeakPolarHBondContact O-CD2 3.21Å; P445-F447 PolarHBondContact O-N 2.83Å
446D83.3Confident89.6Confident105 Ų10575.2 Ų75.256%0.56140%0.395SS*.  trans-70.497.8172.1-177.911.5000110.7S448 P450D446-S448 VanDerWaalsContact CG-OG 3.27Å; D446-S448 PolarHBondContact O-N 2.77Å; D446-S448 WeakPolarHBondContact OD1-CA 3.1Å; D446-S448 VanDerWaalsContact OD1-CB 3.24Å; D446-S448 WeakPolarHBondContact OD1-CB 3.33Å; D446-S448 PolarHBondContact OD1-N 2.91Å; D446-S448 PolarHBondContact OD1-OG 3.39Å; D446-S448 PolarHBondContact OD2-OG 3.03Å; D446-P450 WeakPolarHBondContact O-CD 3.49Å
447F81.8Confident89.8Confident87 Ų8774.6 Ų74.638%0.38240%0.396SS..THydrogen-bonded Turntrans-72.1-11.6175.4-66.8-68.8000113.4Y385 A389 P445Y385-F447 HydrophobicContact CD1-CZ 4.46Å; Y385-F447 HydrophobicContact CD2-CZ 4.15Å; Y385-F447 AromaticContact CG-CZ 3.85Å; Y385-F447 HydrophobicContact CG-CZ 3.85Å; A389-F447 HydrophobicContact CB-CE2 3.77Å; A389-F447 HydrophobicContact CB-CZ 4.22Å; P445-F447 HydrophobicContact CG-CD1 4.46Å; P445-F447 HydrophobicContact CG-CE1 3.89Å; P445-F447 HydrophobicContact CG-CE2 4.12Å; P445-F447 HydrophobicContact CG-CZ 3.69Å; P445-F447 WeakPolarHBondContact O-CD2 3.21Å; P445-F447 PolarHBondContact O-N 2.83Å
448S84.4Confident90Very high57 Ų5776.9 Ų76.940%0.39942%0.415SS..Hα-helixtrans-76.4-29.5178.378.50000112.6D446 Y451 N452D446-S448 VanDerWaalsContact CG-OG 3.27Å; D446-S448 PolarHBondContact O-N 2.77Å; D446-S448 WeakPolarHBondContact OD1-CA 3.1Å; D446-S448 VanDerWaalsContact OD1-CB 3.24Å; D446-S448 WeakPolarHBondContact OD1-CB 3.33Å; D446-S448 PolarHBondContact OD1-N 2.91Å; D446-S448 PolarHBondContact OD1-OG 3.39Å; D446-S448 PolarHBondContact OD2-OG 3.03Å; S448-Y451 WeakPolarHBondContact O-CB 3.47Å; S448-Y451 PolarHBondContact O-N 2.77Å; S448-N452 VanDerWaalsContact O-CG 3.22Å; S448-N452 PolarHBondContact O-N 3.02Å; S448-N452 PolarHBondContact O-ND2 3.39Å
449M85.9Confident90.1Very high126 Ų12680 Ų8062%0.62144%0.435SS*.Hα-helixtrans-61.3-49.5-179.5-178-174.4-174.100112.7Y451 N452 V453M449-Y451 VanDerWaalsContact C-N 3.3Å; M449-Y451 PolarHBondContact O-N 3.42Å; M449-N452 PolarHBondContact O-N 3.22Å; M449-V453 WeakPolarHBondContact O-CG2 3.35Å; M449-V453 PolarHBondContact O-N 3.14Å; M449-V453 VanDerWaalsContact O-N 3.1Å
450P85.9Confident90.2Very high74 Ų7480.9 Ų80.948%0.48144%0.44SS..Hα-helixtrans-60.2-36.8173.8-24.734.7000113.7D446 V453 L454D446-P450 WeakPolarHBondContact O-CD 3.49Å; P450-V453 PolarHBondContact O-N 3.2Å; P450-L454 WeakPolarHBondContact O-CB 3.38Å; P450-L454 WeakPolarHBondContact O-CG 3.34Å; P450-L454 PolarHBondContact O-N 3.2Å
451Y86.9Confident90.3Very high153 Ų15387.3 Ų87.360%0.647%0.468SS*.Hα-helixtrans-63.4-46.9176.8174.6-97.2000111.5S448 M449 V453 L454 C455S448-Y451 WeakPolarHBondContact O-CB 3.47Å; S448-Y451 PolarHBondContact O-N 2.77Å; M449-Y451 VanDerWaalsContact C-N 3.3Å; M449-Y451 PolarHBondContact O-N 3.42Å; Y451-V453 VanDerWaalsContact C-N 3.29Å; Y451-V453 PolarHBondContact O-N 2.87Å; Y451-L454 PolarHBondContact O-N 3.4Å; Y451-C455 PolarHBondContact O-N 2.97Å; Y451-C455 PolarHBondContact O-SG 3.26Å; Y451-C455 VanDerWaalsContact O-SG 3.42Å
452N91.4Very high90.4Very high97 Ų9783.4 Ų83.452%0.51947%0.467SS..Hα-helixtrans-60.2-40.7177.9-67.3-21.2000111.6S448 M449 L456S448-N452 VanDerWaalsContact O-CG 3.22Å; S448-N452 PolarHBondContact O-N 3.02Å; S448-N452 PolarHBondContact O-ND2 3.39Å; M449-N452 PolarHBondContact O-N 3.22Å; N452-L456 WeakPolarHBondContact O-CB 3.07Å; N452-L456 PolarHBondContact O-N 2.82Å
453V93.7Very high90.6Very high78 Ų7889 Ų8947%0.47350%0.496SS..Hα-helixtrans-66-45.2175.5174.90000111.2M449 P450 Y451 C455 L456 V457M449-V453 WeakPolarHBondContact O-CG2 3.35Å; M449-V453 PolarHBondContact O-N 3.14Å; M449-V453 VanDerWaalsContact O-N 3.1Å; P450-V453 PolarHBondContact O-N 3.2Å; Y451-V453 VanDerWaalsContact C-N 3.29Å; Y451-V453 PolarHBondContact O-N 2.87Å; V453-C455 PolarHBondContact O-N 3.45Å; V453-L456 PolarHBondContact O-N 3.42Å; V453-V457 HydrophobicContact CG1-CG2 4.32Å; V453-V457 WeakPolarHBondContact O-CB 3.38Å; V453-V457 VanDerWaalsContact O-CG2 3.29Å; V453-V457 WeakPolarHBondContact O-CG2 3.34Å; V453-V457 PolarHBondContact O-N 3.46Å
454L93.3Very high90.9Very high111 Ų11188.6 Ų88.658%0.58150%0.495SS*.Hα-helixtrans-60.3-46.1177.1-78.7168.4000111.6P450 Y451 L456 V457 C458P450-L454 WeakPolarHBondContact O-CB 3.38Å; P450-L454 WeakPolarHBondContact O-CG 3.34Å; P450-L454 PolarHBondContact O-N 3.2Å; Y451-L454 PolarHBondContact O-N 3.4Å; L454-L456 PolarHBondContact O-N 3.33Å; L454-V457 PolarHBondContact O-N 3.06Å; L454-C458 VanDerWaalsContact O-CB 3.31Å; L454-C458 WeakPolarHBondContact O-CB 3.16Å; L454-C458 PolarHBondContact O-N 3.2Å; L454-C458 PolarHBondContact O-SG 3.23Å
455C94.8Very high91.3Very high47 Ų4792.3 Ų92.332%0.31851%0.506SS..Hα-helixtrans-58.6-47.8175.8-73.10000111.6Y451 V453 V457 C458 T459Y451-C455 PolarHBondContact O-N 2.97Å; Y451-C455 PolarHBondContact O-SG 3.26Å; Y451-C455 VanDerWaalsContact O-SG 3.42Å; V453-C455 PolarHBondContact O-N 3.45Å; C455-V457 PolarHBondContact O-N 3.07Å; C455-C458 PolarHBondContact O-N 3.25Å; C455-T459 WeakPolarHBondContact O-CB 3.38Å; C455-T459 PolarHBondContact O-N 3.5Å; C455-T459 PolarHBondContact O-OG1 3.36Å
456L95.6Very high91.5Very high115 Ų11591.2 Ų91.260%0.60251%0.505SS*.Hα-helixtrans-58.4-48.5177.4179.767.3000111.6N452 V453 L454 T459 V460N452-L456 WeakPolarHBondContact O-CB 3.07Å; N452-L456 PolarHBondContact O-N 2.82Å; V453-L456 PolarHBondContact O-N 3.42Å; L454-L456 PolarHBondContact O-N 3.33Å; L456-T459 PolarHBondContact O-N 3.17Å; L456-V460 WeakPolarHBondContact O-CG2 3.34Å; L456-V460 PolarHBondContact O-N 3.14Å
457V96.3Very high91.9Very high66 Ų6689.7 Ų89.740%0.450%0.5SS..Hα-helixtrans-62.9-46.7179.7172.50000110.5V453 L454 C455 T459 V460 F461V453-V457 HydrophobicContact CG1-CG2 4.32Å; V453-V457 WeakPolarHBondContact O-CB 3.38Å; V453-V457 VanDerWaalsContact O-CG2 3.29Å; V453-V457 WeakPolarHBondContact O-CG2 3.34Å; V453-V457 PolarHBondContact O-N 3.46Å; L454-V457 PolarHBondContact O-N 3.06Å; C455-V457 PolarHBondContact O-N 3.07Å; V457-T459 VanDerWaalsContact C-N 3.32Å; V457-T459 PolarHBondContact O-N 2.92Å; V457-V460 PolarHBondContact O-N 3.25Å; V457-F461 HydrophobicContact CG1-CD2 3.62Å; V457-F461 HydrophobicContact CG1-CE2 3.73Å; V457-F461 WeakPolarHBondContact O-CD2 3.36Å; V457-F461 PolarHBondContact O-N 3.09Å
458C95.8Very high92.4Very high82 Ų8289.5 Ų89.555%0.55451%0.506SS*.Hα-helixtrans-58.5-41.1175.4-72.50000112.2L454 C455 F461 A462L454-C458 VanDerWaalsContact O-CB 3.31Å; L454-C458 WeakPolarHBondContact O-CB 3.16Å; L454-C458 PolarHBondContact O-N 3.2Å; L454-C458 PolarHBondContact O-SG 3.23Å; C455-C458 PolarHBondContact O-N 3.25Å; C458-F461 PolarHBondContact O-N 3.38Å; C458-A462 WeakPolarHBondContact O-CB 3.21Å; C458-A462 PolarHBondContact O-N 3.07Å
459T95.1Very high92.8Very high77 Ų7790.9 Ų90.947%0.47251%0.506SS..Hα-helixtrans-64.4-45.4175.3-58.90000111.7C455 L456 V457 F461 A462 L463C455-T459 WeakPolarHBondContact O-CB 3.38Å; C455-T459 PolarHBondContact O-N 3.5Å; C455-T459 PolarHBondContact O-OG1 3.36Å; L456-T459 PolarHBondContact O-N 3.17Å; V457-T459 VanDerWaalsContact C-N 3.32Å; V457-T459 PolarHBondContact O-N 2.92Å; T459-F461 VanDerWaalsContact C-N 3.33Å; T459-F461 PolarHBondContact O-N 3.04Å; T459-A462 PolarHBondContact O-N 2.92Å; T459-L463 HydrophobicContact CG2-CD1 3.93Å; T459-L463 HydrophobicContact CG2-CG 4.32Å; T459-L463 WeakPolarHBondContact O-CB 3.41Å; T459-L463 VanDerWaalsContact O-CG 3.31Å; T459-L463 WeakPolarHBondContact O-CG 3.44Å; T459-L463 PolarHBondContact O-N 2.74Å
460V96.2Very high92.9Very high85 Ų8588.1 Ų88.152%0.51549%0.494SS..Hα-helixtrans-61.5-42.5176.9171.50000111.1L456 V457 S464L456-V460 WeakPolarHBondContact O-CG2 3.34Å; L456-V460 PolarHBondContact O-N 3.14Å; V457-V460 PolarHBondContact O-N 3.25Å; V460-S464 VanDerWaalsContact O-CB 3.32Å; V460-S464 WeakPolarHBondContact O-CB 3.27Å; V460-S464 PolarHBondContact O-N 2.98Å; V460-S464 PolarHBondContact O-OG 3Å
461F95.4Very high93Very high141 Ų14190 Ų9062%0.61850%0.499SS*.Hα-helixtrans-64-44.7174.8-92.4-79.8000111.9V457 C458 T459 L463 S464 F465V457-F461 HydrophobicContact CG1-CD2 3.62Å; V457-F461 HydrophobicContact CG1-CE2 3.73Å; V457-F461 WeakPolarHBondContact O-CD2 3.36Å; V457-F461 PolarHBondContact O-N 3.09Å; C458-F461 PolarHBondContact O-N 3.38Å; T459-F461 VanDerWaalsContact C-N 3.33Å; T459-F461 PolarHBondContact O-N 3.04Å; F461-L463 PolarHBondContact O-N 2.99Å; F461-S464 WeakPolarHBondContact CA-OG 3.47Å; F461-S464 PolarHBondContact O-N 3.32Å; F461-S464 PolarHBondContact O-OG 2.75Å; F461-F465 WeakPolarHBondContact O-CB 3.35Å; F461-F465 PolarHBondContact O-N 2.94Å
462A92.9Very high93.1Very high70 Ų7087.7 Ų87.758%0.57950%0.502SS*.Hα-helixtrans-62.1-43.8178.300000112.2C458 T459C458-A462 WeakPolarHBondContact O-CB 3.21Å; C458-A462 PolarHBondContact O-N 3.07Å; T459-A462 PolarHBondContact O-N 2.92Å
463L94.3Very high93.1Very high127 Ų12786.9 Ų86.967%0.66550%0.5SS*.Hα-helixtrans-69.9-33179.1-69.6176.7000113.1T459 F461 P467T459-L463 HydrophobicContact CG2-CD1 3.93Å; T459-L463 HydrophobicContact CG2-CG 4.32Å; T459-L463 WeakPolarHBondContact O-CB 3.41Å; T459-L463 VanDerWaalsContact O-CG 3.31Å; T459-L463 WeakPolarHBondContact O-CG 3.44Å; T459-L463 PolarHBondContact O-N 2.74Å; F461-L463 PolarHBondContact O-N 2.99Å; L463-P467 WeakPolarHBondContact O-CD 3.31Å; L463-P467 WeakPolarHBondContact O-CG 3.37Å
464S94.5Very high92.5Very high51 Ų5191 Ų9136%0.35751%0.507SS..Hα-helixtrans-83.6-33.2178.856.60000113V460 F461 G466 P467 V468V460-S464 VanDerWaalsContact O-CB 3.32Å; V460-S464 WeakPolarHBondContact O-CB 3.27Å; V460-S464 PolarHBondContact O-N 2.98Å; V460-S464 PolarHBondContact O-OG 3Å; F461-S464 WeakPolarHBondContact CA-OG 3.47Å; F461-S464 PolarHBondContact O-N 3.32Å; F461-S464 PolarHBondContact O-OG 2.75Å; S464-G466 PolarHBondContact O-N 3.14Å; S464-P467 WeakPolarHBondContact O-CD 3.14Å; S464-V468 WeakPolarHBondContact O-CB 3.4Å; S464-V468 VanDerWaalsContact O-CG2 3.23Å; S464-V468 WeakPolarHBondContact O-CG2 3.04Å; S464-V468 PolarHBondContact O-N 3.06Å; S464-V468 VanDerWaalsContact O-N 3.07Å
465F94.6Very high91.7Very high138 Ų13896.9 Ų96.961%0.60552%0.521SS*.Hα-helixtrans-61.9-45.3-177.8-177.8-95.9000112.2F461 V468 H469F461-F465 WeakPolarHBondContact O-CB 3.35Å; F461-F465 PolarHBondContact O-N 2.94Å; F465-V468 PolarHBondContact O-N 3.4Å; F465-H469 HydrophobicContact CD1-CB 4.43Å; F465-H469 HydrophobicContact CE1-CB 4.16Å; F465-H469 HydrophobicContact CZ-CB 4.31Å; F465-H469 WeakPolarHBondContact O-CB 3.38Å; F465-H469 PolarHBondContact O-N 3.14Å
466G89.8Confident90.8Very high29 Ų29101.5 Ų101.530%0.29954%0.537SS..Hα-helixtrans-56.2-54.8-179.800000113.5S464 N470S464-G466 PolarHBondContact O-N 3.14Å; G466-N470 VanDerWaalsContact O-CB 3.32Å; G466-N470 WeakPolarHBondContact O-CB 2.82Å; G466-N470 PolarHBondContact O-N 2.88Å; G466-N470 PolarHBondContact O-ND2 3.34Å
467P90.9Very high89.9Confident72 Ų72102.2 Ų102.247%0.46855%0.546SS..Hα-helixtrans-60.4-46.8174.8-26.234.8000113.6L463 S464 H469 N470 L471L463-P467 WeakPolarHBondContact O-CD 3.31Å; L463-P467 WeakPolarHBondContact O-CG 3.37Å; S464-P467 WeakPolarHBondContact O-CD 3.14Å; P467-H469 PolarHBondContact O-N 3.15Å; P467-N470 PolarHBondContact O-N 3.35Å; P467-L471 WeakPolarHBondContact O-CB 3.2Å; P467-L471 VanDerWaalsContact O-CG 3.27Å; P467-L471 WeakPolarHBondContact O-CG 3.43Å; P467-L471 PolarHBondContact O-N 3.5Å
468V92.7Very high88.8Confident84 Ų84108.7 Ų108.751%0.50957%0.569SS.*Hα-helixtrans-64.2-43.4-178.9172.20000111S464 F465 L471 T472S464-V468 WeakPolarHBondContact O-CB 3.4Å; S464-V468 VanDerWaalsContact O-CG2 3.23Å; S464-V468 WeakPolarHBondContact O-CG2 3.04Å; S464-V468 PolarHBondContact O-N 3.06Å; S464-V468 VanDerWaalsContact O-N 3.07Å; F465-V468 PolarHBondContact O-N 3.4Å; V468-L471 PolarHBondContact O-N 2.72Å; V468-T472 WeakPolarHBondContact O-CB 3.39Å; V468-T472 WeakPolarHBondContact O-CG2 3.43Å; V468-T472 PolarHBondContact O-N 2.9Å; V468-T472 PolarHBondContact O-OG1 2.62Å
469H92.3Very high87.3Confident85 Ų85109.9 Ų109.939%0.39458%0.578SS.*Hα-helixtrans-62.4-45.6174.8-177.7-86000111F465 P467 L471 T472 T473F465-H469 HydrophobicContact CD1-CB 4.43Å; F465-H469 HydrophobicContact CE1-CB 4.16Å; F465-H469 HydrophobicContact CZ-CB 4.31Å; F465-H469 WeakPolarHBondContact O-CB 3.38Å; F465-H469 PolarHBondContact O-N 3.14Å; P467-H469 PolarHBondContact O-N 3.15Å; H469-L471 PolarHBondContact O-N 2.79Å; H469-T472 WeakPolarHBondContact CA-OG1 3.06Å; H469-T472 PolarHBondContact O-N 2.77Å; H469-T472 PolarHBondContact O-OG1 3.12Å; H469-T472 VanDerWaalsContact O-OG1 3.09Å; H469-T473 PolarHBondContact ND1-OG1 3.2Å; H469-T473 WeakPolarHBondContact O-CB 3.24Å; H469-T473 WeakPolarHBondContact O-CG2 3.34Å; H469-T473 PolarHBondContact O-N 2.97Å; H469-T473 PolarHBondContact O-OG1 3.21Å
470N88.4Confident85.7Confident68 Ų68115.7 Ų115.736%0.36460%0.597SS.*Hα-helixtrans-62-43.4176.3-84-37.7000112.6G466 P467 T472 R474G466-N470 VanDerWaalsContact O-CB 3.32Å; G466-N470 WeakPolarHBondContact O-CB 2.82Å; G466-N470 PolarHBondContact O-N 2.88Å; G466-N470 PolarHBondContact O-ND2 3.34Å; P467-N470 PolarHBondContact O-N 3.35Å; N470-T472 VanDerWaalsContact C-N 3.31Å; N470-T472 PolarHBondContact O-N 3.39Å; N470-R474 HydrophobicContact CB-CG 4.48Å; N470-R474 WeakPolarHBondContact O-CA 2.92Å; N470-R474 WeakPolarHBondContact O-CB 2.96Å; N470-R474 WeakPolarHBondContact O-CG 3.46Å; N470-R474 PolarHBondContact O-N 2.86Å; N470-R474 PolarHBondContact OD1-NE 3.26Å
471L88.3Confident83.7Confident113 Ų113116 Ų11659%0.59261%0.609SS**Hα-helixtrans-63.6-36.6178.7-75.1169.3000112.3P467 V468 H469 F476P467-L471 WeakPolarHBondContact O-CB 3.2Å; P467-L471 VanDerWaalsContact O-CG 3.27Å; P467-L471 WeakPolarHBondContact O-CG 3.43Å; P467-L471 PolarHBondContact O-N 3.5Å; V468-L471 PolarHBondContact O-N 2.72Å; H469-L471 PolarHBondContact O-N 2.79Å; L471-F476 HydrophobicContact CD2-CZ 3.94Å
472T89.7Confident81.4Confident106 Ų106117.7 Ų117.765%0.6562%0.616SS**Hα-helixtrans-84.6-27.3-17851.50000113.4V468 H469 N470V468-T472 WeakPolarHBondContact O-CB 3.39Å; V468-T472 WeakPolarHBondContact O-CG2 3.43Å; V468-T472 PolarHBondContact O-N 2.9Å; V468-T472 PolarHBondContact O-OG1 2.62Å; H469-T472 WeakPolarHBondContact CA-OG1 3.06Å; H469-T472 PolarHBondContact O-N 2.77Å; H469-T472 PolarHBondContact O-OG1 3.12Å; H469-T472 VanDerWaalsContact O-OG1 3.09Å; N470-T472 VanDerWaalsContact C-N 3.31Å; N470-T472 PolarHBondContact O-N 3.39Å
473T90.1Very high79.2Confident79 Ų79126.4 Ų126.449%0.48563%0.633SS.*Hα-helixtrans-104-28.1-177.5600000114.4H469 R475H469-T473 PolarHBondContact ND1-OG1 3.2Å; H469-T473 WeakPolarHBondContact O-CB 3.24Å; H469-T473 WeakPolarHBondContact O-CG2 3.34Å; H469-T473 PolarHBondContact O-N 2.97Å; H469-T473 PolarHBondContact O-OG1 3.21Å; T473-R475 PolarHBondContact O-N 2.98Å
474R81.7Confident76.8Confident166 Ų166128.3 Ų128.363%0.62663%0.632SS**SBendtrans-71.7123.2177.1-72.5-176168.8-165.2-6.2109.7N470 F476N470-R474 HydrophobicContact CB-CG 4.48Å; N470-R474 WeakPolarHBondContact O-CA 2.92Å; N470-R474 WeakPolarHBondContact O-CB 2.96Å; N470-R474 WeakPolarHBondContact O-CG 3.46Å; N470-R474 PolarHBondContact O-N 2.86Å; N470-R474 PolarHBondContact OD1-NE 3.26Å; R474-F476 PolarHBondContact O-N 3.05Å
475R76.2Confident74.5Confident233 Ų233129.2 Ų129.288%0.87964%0.639SS**  trans-73.7110167.2-73.5-174.9177.4-179.9-0.2108.9T473 T477T473-R475 PolarHBondContact O-N 2.98Å; R475-T477 PolarHBondContact O-N 3.26Å; R475-T477 VanDerWaalsContact O-N 3.07Å
476F76.5Confident72.4Confident145 Ų145130.5 Ų130.564%0.63665%0.651SS**  trans-67.6104.1168.8-61.5-81000108.7L471 R474L471-F476 HydrophobicContact CD2-CZ 3.94Å; R474-F476 PolarHBondContact O-N 3.05Å
477T75.5Confident70.6Confident129 Ų129135.9 Ų135.979%0.79167%0.672SS**  trans-81.6117167.748.80000108R475 S479R475-T477 PolarHBondContact O-N 3.26Å; R475-T477 VanDerWaalsContact O-N 3.07Å; T477-S479 VanDerWaalsContact C-N 3.31Å; T477-S479 PolarHBondContact O-N 2.94Å
478F73.6Confident68.8Low203 Ų203135.6 Ų135.689%0.8967%0.669SS**  trans-65.297166-77.1-86.5000107.6K480F478-K480 PolarHBondContact O-N 2.89Å
479S64Low67Low107 Ų107134.4 Ų134.475%0.74866%0.664SS**  trans-61.8111.9159.8-175.40000105.8T477 A481T477-S479 VanDerWaalsContact C-N 3.31Å; T477-S479 PolarHBondContact O-N 2.94Å; S479-A481 VanDerWaalsContact C-N 3.34Å; S479-A481 PolarHBondContact O-N 2.8Å
480K61.7Low65.3Low198 Ų198132.3 Ų132.386%0.86167%0.666SS**  trans-52.7108.5168.5-78.8-177.9178.6177.20105.3F478 K482F478-K480 PolarHBondContact O-N 2.89Å; K480-K482 PolarHBondContact O-N 3.32Å
481A55.3Low63.8Low93 Ų93136.6 Ų136.677%0.76968%0.681SS**  trans-55.899.4171.400000105.6S479 R483S479-A481 VanDerWaalsContact C-N 3.34Å; S479-A481 PolarHBondContact O-N 2.8Å; A481-R483 PolarHBondContact O-N 3.39Å
482K47.2Very low62.5Low176 Ų176134.6 Ų134.677%0.76567%0.671SS**  trans-55.8115.1168.4-152.4174.2-170176.30102.1K480 R484K480-K482 PolarHBondContact O-N 3.32Å; K482-R484 PolarHBondContact O-N 3.43Å
483R46.4Very low61.2Low252 Ų252134.6 Ų134.695%0.95167%0.667SS**  trans-62.567.3-179-152-174-150.8-1746.6107.5A481 S485A481-R483 PolarHBondContact O-N 3.39Å; R483-S485 PolarHBondContact O-N 3Å
484R42.7Very low60.1Low167 Ų167135 Ų13563%0.6367%0.668SS**  trans-72.3109.7171.1-82.4-174.7167.1172.7-3.5103.1K482 L486K482-R484 PolarHBondContact O-N 3.43Å; R484-L486 PolarHBondContact O-N 3.29Å
485S47Very low59.2Low71 Ų71133.2 Ų133.250%0.49767%0.667SS.*  trans-36.8128170.5177.20000109.2R483 L487 T488R483-S485 PolarHBondContact O-N 3Å; S485-L487 PolarHBondContact O-N 3.38Å; S485-T488 PolarHBondContact O-N 2.99Å; S485-T488 PolarHBondContact O-OG1 2.83Å; S485-T488 VanDerWaalsContact O-OG1 3.12Å
486L50Low58.6Low164 Ų164125.2 Ų125.286%0.85965%0.647SS**Hα-helixtrans-48.1-23.6178.3-98.5134.1000112.8R484R484-L486 PolarHBondContact O-N 3.29Å
487L52.3Low57.9Low143 Ų143126.7 Ų126.775%0.74965%0.649SS**Hα-helixtrans-73.6-24.8177.7-78.7151.7000114.9S485S485-L487 PolarHBondContact O-N 3.38Å
488T53.3Low57.3Low65 Ų65125.1 Ų125.140%0.39963%0.634SS.*Hα-helixtrans-88.2-31.4174.4600000111.9S485 G490 K491 D492S485-T488 PolarHBondContact O-N 2.99Å; S485-T488 PolarHBondContact O-OG1 2.83Å; S485-T488 VanDerWaalsContact O-OG1 3.12Å; T488-G490 VanDerWaalsContact C-N 3.31Å; T488-G490 PolarHBondContact O-N 2.98Å; T488-K491 PolarHBondContact O-N 3.46Å; T488-K491 VanDerWaalsContact O-N 3.16Å; T488-D492 PolarHBondContact O-N 2.76Å
489S54.2Low56.7Low60 Ų60119 Ų11942%0.4262%0.616SS.*Hα-helixtrans-64.3-34.6179.2-163.80000112.5L493S489-L493 VanDerWaalsContact O-CB 3.28Å; S489-L493 WeakPolarHBondContact O-CB 2.85Å; S489-L493 PolarHBondContact O-N 2.73Å
490G56.3Low56.4Low41 Ų41119 Ų11942%0.42362%0.616SS.*Hα-helixtrans-65.4-37.4174.500000112.8T488 V494T488-G490 VanDerWaalsContact C-N 3.31Å; T488-G490 PolarHBondContact O-N 2.98Å; G490-V494 WeakPolarHBondContact O-CB 3.01Å; G490-V494 WeakPolarHBondContact O-CG2 3.46Å; G490-V494 PolarHBondContact O-N 2.87Å; G490-V494 VanDerWaalsContact O-N 3.17Å
491K58.7Low55.8Low157 Ų157115.5 Ų115.568%0.68361%0.606SS**Hα-helixtrans-71.6-42177.4-73.1-173.9175.5-177.90112.1T488 V494 Q495T488-K491 PolarHBondContact O-N 3.46Å; T488-K491 VanDerWaalsContact O-N 3.16Å; K491-V494 PolarHBondContact O-N 2.02Å; K491-Q495 WeakPolarHBondContact O-CB 3.39Å; K491-Q495 PolarHBondContact O-N 3.06Å
492D59.8Low55.2Low72 Ų72115 Ų11539%0.38559%0.593SS.*Hα-helixtrans-67.6-36.8178.7-70.3-13.1000112.1T488 Q495 S496T488-D492 PolarHBondContact O-N 2.76Å; D492-Q495 PolarHBondContact O-N 3.15Å; D492-S496 VanDerWaalsContact O-CB 3.24Å; D492-S496 WeakPolarHBondContact O-CB 3.49Å; D492-S496 PolarHBondContact O-N 3.36Å
493L62Low54.9Low106 Ų106112.8 Ų112.856%0.55560%0.597SS**Hα-helixtrans-71.6-37.3179.1-142.9150.4000111.1S489 W497S489-L493 VanDerWaalsContact O-CB 3.28Å; S489-L493 WeakPolarHBondContact O-CB 2.85Å; S489-L493 PolarHBondContact O-N 2.73Å; L493-W497 WeakPolarHBondContact O-CB 2.9Å; L493-W497 PolarHBondContact O-N 3.28Å
494V68.5Low54.5Low86 Ų86106.3 Ų106.352%0.52159%0.59SS.*Hα-helixtrans-69.1-40.6171.1172.70000111.4G490 K491 W497 I498G490-V494 WeakPolarHBondContact O-CB 3.01Å; G490-V494 WeakPolarHBondContact O-CG2 3.46Å; G490-V494 PolarHBondContact O-N 2.87Å; G490-V494 VanDerWaalsContact O-N 3.17Å; K491-V494 PolarHBondContact O-N 2.02Å; V494-W497 PolarHBondContact O-N 3.36Å; V494-I498 HydrophobicContact CG1-CD1 3.63Å; V494-I498 HydrophobicContact CG1-CG1 4.3Å; V494-I498 WeakPolarHBondContact O-CB 3.14Å; V494-I498 WeakPolarHBondContact O-CG1 3.07Å; V494-I498 PolarHBondContact O-N 3.1Å
495Q62.4Low53.9Low130 Ų130107.8 Ų107.861%0.60760%0.601SS**Hα-helixtrans-65.8-39.5175.1-107.8178.8-42.900112.6K491 D492 I498 S499K491-Q495 WeakPolarHBondContact O-CB 3.39Å; K491-Q495 PolarHBondContact O-N 3.06Å; D492-Q495 PolarHBondContact O-N 3.15Å; Q495-I498 PolarHBondContact O-N 3.48Å; Q495-S499 WeakPolarHBondContact O-CB 3.29Å; Q495-S499 PolarHBondContact O-N 3.42Å; Q495-S499 PolarHBondContact O-OG 3.35Å
496S63.1Low53.2Low65 Ų65115.2 Ų115.246%0.45562%0.618SS.*Hα-helixtrans-61-49173.7175.50000110.7D492 I498 S499 C500D492-S496 VanDerWaalsContact O-CB 3.24Å; D492-S496 WeakPolarHBondContact O-CB 3.49Å; D492-S496 PolarHBondContact O-N 3.36Å; S496-I498 PolarHBondContact O-N 3.19Å; S496-S499 PolarHBondContact O-N 2.78Å; S496-S499 PolarHBondContact O-OG 2.8Å; S496-C500 PolarHBondContact O-N 2.68Å
497W62.2Low52.2Low176 Ų176113.8 Ų113.867%0.66761%0.611SS**Hα-helixtrans-59.4-44.8174.8-104.465.5000112.9L493 V494 S499 C500 L501L493-W497 WeakPolarHBondContact O-CB 2.9Å; L493-W497 PolarHBondContact O-N 3.28Å; V494-W497 PolarHBondContact O-N 3.36Å; W497-S499 VanDerWaalsContact C-N 3.33Å; W497-S499 PolarHBondContact O-N 3.36Å; W497-C500 PolarHBondContact O-N 2.94Å; W497-L501 HydrophobicContact CE3-CD1 3.93Å; W497-L501 HydrophobicContact CZ3-CD1 4.44Å; W497-L501 WeakPolarHBondContact O-CD1 3.39Å; W497-L501 WeakPolarHBondContact O-CG 3.32Å; W497-L501 PolarHBondContact O-N 3.37Å; W497-L501 VanDerWaalsContact O-N 3.1Å
498I63.4Low51.1Low96 Ų96116.4 Ų116.449%0.49262%0.62SS.*Hα-helixtrans-64-39.3177.3-69.3167.3000110.8V494 Q495 S496 C500 L501 T502V494-I498 HydrophobicContact CG1-CD1 3.63Å; V494-I498 HydrophobicContact CG1-CG1 4.3Å; V494-I498 WeakPolarHBondContact O-CB 3.14Å; V494-I498 WeakPolarHBondContact O-CG1 3.07Å; V494-I498 PolarHBondContact O-N 3.1Å; Q495-I498 PolarHBondContact O-N 3.48Å; S496-I498 PolarHBondContact O-N 3.19Å; I498-C500 VanDerWaalsContact C-N 3.35Å; I498-C500 PolarHBondContact O-N 2.79Å; I498-L501 PolarHBondContact O-N 3.21Å; I498-T502 PolarHBondContact O-N 3.19Å; I498-T502 PolarHBondContact O-OG1 3.48Å
499S59.4Low50.1Low73 Ų73118.3 Ų118.351%0.5164%0.636SS.*Hα-helixtrans-68.6-31.2177.976.50000113.4Q495 S496 W497 L501Q495-S499 WeakPolarHBondContact O-CB 3.29Å; Q495-S499 PolarHBondContact O-N 3.42Å; Q495-S499 PolarHBondContact O-OG 3.35Å; S496-S499 PolarHBondContact O-N 2.78Å; S496-S499 PolarHBondContact O-OG 2.8Å; W497-S499 VanDerWaalsContact C-N 3.33Å; W497-S499 PolarHBondContact O-N 3.36Å; S499-L501 VanDerWaalsContact C-N 3.35Å
500C57.8Low49Very low109 Ų109124.6 Ų124.674%0.73666%0.659SS**Hα-helixtrans-71.8-28.4171.5-80.10000112.7S496 W497 I498S496-C500 PolarHBondContact O-N 2.68Å; W497-C500 PolarHBondContact O-N 2.94Å; I498-C500 VanDerWaalsContact C-N 3.35Å; I498-C500 PolarHBondContact O-N 2.79Å
501L49.6Very low47.8Very low123 Ų123131.3 Ų131.364%0.64468%0.683SS**Hα-helixtrans-87.9-19.9-178-76161.8000113.6W497 I498 S499 P503W497-L501 HydrophobicContact CE3-CD1 3.93Å; W497-L501 HydrophobicContact CZ3-CD1 4.44Å; W497-L501 WeakPolarHBondContact O-CD1 3.39Å; W497-L501 WeakPolarHBondContact O-CG 3.32Å; W497-L501 PolarHBondContact O-N 3.37Å; W497-L501 VanDerWaalsContact O-N 3.1Å; I498-L501 PolarHBondContact O-N 3.21Å; S499-L501 VanDerWaalsContact C-N 3.35Å; L501-P503 WeakPolarHBondContact O-CD 3.21Å
502T43.8Very low46.4Very low84 Ų84126.7 Ų126.752%0.51568%0.68SS.*SBendtrans-93.4114.9175.952.70000111.6I498 S504I498-T502 PolarHBondContact O-N 3.19Å; I498-T502 PolarHBondContact O-OG1 3.48Å; T502-S504 PolarHBondContact O-N 3.1Å
503P39.4Very low45.1Very low128 Ų128129.6 Ų129.683%0.83170%0.7SS**  trans-72102.9-179.428-31.8000110.2L501 K505L501-P503 WeakPolarHBondContact O-CD 3.21Å; P503-K505 PolarHBondContact O-N 3.17Å
504S38.2Very low43.6Very low117 Ų117129.4 Ų129.482%0.81871%0.714SS**  trans-80109.6172-176.40000110.1T502 R506T502-S504 PolarHBondContact O-N 3.1Å; S504-R506 PolarHBondContact O-N 3.11Å
505K31.6Very low41.8Very low198 Ų198130.8 Ų130.886%0.86172%0.723SS**  trans-58.2119.5166-70.9177.4174.6179.60110P503P503-K505 PolarHBondContact O-N 3.17Å
506R30.9Very low40.4Very low227 Ų227132.8 Ų132.886%0.85773%0.732SS**  trans-171.8117.3140.2-114.3171.1176173.1-1.1115S504S504-R506 PolarHBondContact O-N 3.11Å
507N29.3Very low38.9Very low133 Ų133135.1 Ų135.171%0.71174%0.739SS**  trans57.793131.2-62.411.6000119.8S509N507-S509 PolarHBondContact O-N 3.48Å
508E29.3Very low37.6Very low198 Ų198133.6 Ų133.693%0.92574%0.744SS**  -1.695.4121.2-66.3174.6161.200115.3
509S31.8Very low36.2Very low105 Ų105139 Ų13973%0.73476%0.759SS**  trans-178134.713754.40000109.2N507N507-S509 PolarHBondContact O-N 3.48Å
510Q32.2Very low34.8Very low193 Ų193141.8 Ų141.890%0.90278%0.777SS**  trans96.683.8173.3-52.3-161-3.900116.7
511I29.9Very low33.7Very low182 Ų182143.6 Ų143.693%0.93381%0.813SS**  trans-53.5118.3152.4-63.7157.8000108.9
512G30.4Very low33Very low59 Ų59144.6 Ų144.661%0.60882%0.822SS**  trans166.210417200000113.4
513T31.4Very low32.4Very low134 Ų134147.8 Ų147.882%0.82284%0.838SS**  trans60.995.8168.257.30000116.3T515T513-T515 VanDerWaalsContact C-N 3.29Å; T513-T515 PolarHBondContact O-N 3.44Å
514A31.1Very low32Very low102 Ų102148.9 Ų148.984%0.84384%0.838SS**  trans-6189.3161.200000109.8E516A514-E516 PolarHBondContact O-N 3.34Å
515T31Very low31.6Very low115 Ų115150.8 Ų150.871%0.70684%0.839SS**  trans-73.6109.314646.80000105.6T513 D517T513-T515 VanDerWaalsContact C-N 3.29Å; T513-T515 PolarHBondContact O-N 3.44Å; T515-D517 VanDerWaalsContact C-N 3.31Å; T515-D517 PolarHBondContact O-N 2.82Å
516E33.1Very low31.6Very low171 Ų171147.8 Ų147.880%0.79984%0.838SS**  trans-53.298.2170.7-76.4177149.200108.8A514 N518A514-E516 PolarHBondContact O-N 3.34Å; E516-N518 PolarHBondContact O-N 2.85Å
517D31.5Very low31.7Very low114 Ų114142.5 Ų142.561%0.6184%0.837SS**  trans-67.686170.2-12125.3000106.4T515 R519T515-D517 VanDerWaalsContact C-N 3.31Å; T515-D517 PolarHBondContact O-N 2.82Å; D517-R519 PolarHBondContact O-N 3.06Å; D517-R519 IonicContact OD2-CZ 3.85Å; D517-R519 IonicContact OD2-NE 3.22Å; D517-R519 PolarHBondContact OD2-NE 3.18Å; D517-R519 IonicContact OD2-NH2 3.64Å
518N34.3Very low31.8Very low144 Ų144143.2 Ų143.277%0.7785%0.846SS**  trans-65.977.4168.7-86.1-28.3000109E516 C520E516-N518 PolarHBondContact O-N 2.85Å; N518-C520 VanDerWaalsContact C-N 3.32Å
519R33.6Very low32Very low211 Ų211139 Ų13980%0.79684%0.84SS**  trans-88.23.5171.4-75.1-168.3-171.2-159.30.3113.7D517D517-R519 PolarHBondContact O-N 3.06Å; D517-R519 IonicContact OD2-CZ 3.85Å; D517-R519 IonicContact OD2-NE 3.22Å; D517-R519 PolarHBondContact OD2-NE 3.18Å; D517-R519 IonicContact OD2-NH2 3.64Å
520C30.4Very low32.1Very low131 Ų131141.8 Ų141.889%0.88585%0.848SS**  trans-126.978173.3-64.50000109.9N518N518-C520 VanDerWaalsContact C-N 3.32Å
521G35.8Very low32.1Very low146 Ų146137.2 Ų137.2100%1.50584%0.843SS**  trans-119.70165.200000109.8

Retrieved 521 of 521 residues in 297.6 ms (Link to these results)

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