A0A077YYY5_TRITR Loading...

Procollagen lysine,2 oxoglutarate 5 dioxygenase

AlphaFold DB , UniProt , Accession A0A077YYY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,047 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
1M43.7Very low55.2Low80 Ų8036.7 Ų36.739%0.39422%0.215SC..  0-49.30-75.7174.3-170.600112.9R3 A4 G5 W21 A23 D25 K28 A29M1-R3 PolarHBondContact O-N 2.92Å; M1-A4 CarbonylContact O-C 2.99Å; M1-A4 WeakPolarHBondContact O-CA 3.46Å; M1-A4 VanDerWaalsContact O-CB 3.27Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.48Å; M1-G5 PolarHBondContact O-N 3.45Å; M1-W21 HydrophobicContact CB-CZ3 4.34Å; M1-W21 HydrophobicContact CG-CZ3 4.4Å; M1-A23 HydrophobicContact CE-CB 4.19Å; M1-D25 HydrophobicContact CE-CB 4.26Å; M1-D25 WeakPolarHBondContact CE-O 3.49Å; M1-K28 HydrophobicContact CE-CB 3.93Å; M1-K28 HydrophobicContact CE-CD 4.33Å; M1-K28 HydrophobicContact CE-CG 4.18Å; M1-K28 VanDerWaalsContact SD-C 3.53Å; M1-K28 HydrophobicContact SD-CB 3.9Å; M1-K28 HydrophobicContact SD-CD 3.98Å; M1-K28 HydrophobicContact SD-CG 3.59Å; M1-K28 VanDerWaalsContact SD-CG 3.59Å; M1-A29 HydrophobicContact CE-CB 3.9Å; M1-A29 HydrophobicContact SD-CB 4.34Å
2E50.1Low55.5Low102 Ų10234.8 Ų34.848%0.47720%0.204SC..Hα-helixtrans-50.9-48-174.4-65.4-171.915900116A4 G5 S6 T219E2-A4 VanDerWaalsContact C-N 3.26Å; E2-A4 PolarHBondContact O-N 3.09Å; E2-G5 WeakPolarHBondContact O-CA 3.42Å; E2-G5 PolarHBondContact O-N 2.9Å; E2-S6 PolarHBondContact O-N 3.16Å; E2-S6 VanDerWaalsContact O-N 3.07Å; E2-T219 HydrophobicContact CB-CG2 3.49Å; E2-T219 VanDerWaalsContact CB-CG2 3.49Å; E2-T219 WeakPolarHBondContact OE2-CG2 3.4Å; E2-T219 PolarHBondContact OE2-OG1 3.06Å
3R59.5Low55.6Low43 Ų4347.7 Ų47.716%0.16225%0.247CC..Hα-helixtrans-61.1-34.4175.1-61.5-173.5-146.4166.610.6112.9M1 G5 S6 A7 T219M1-R3 PolarHBondContact O-N 2.92Å; R3-G5 VanDerWaalsContact C-N 3.3Å; R3-S6 PolarHBondContact O-N 2.7Å; R3-A7 PolarHBondContact O-N 2.65Å; R3-T219 HydrophobicContact CB-CG2 4.44Å; R3-T219 HydrophobicContact CG-CG2 3.47Å; R3-T219 VanDerWaalsContact CG-CG2 3.47Å
4A53.6Low55.6Low32 Ų3250.2 Ų50.226%0.26426%0.26SS..Hα-helixtrans-68.7-31.2173.700000111.4M1 E2 A7 F8 W21M1-A4 CarbonylContact O-C 2.99Å; M1-A4 WeakPolarHBondContact O-CA 3.46Å; M1-A4 VanDerWaalsContact O-CB 3.27Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.48Å; E2-A4 VanDerWaalsContact C-N 3.26Å; E2-A4 PolarHBondContact O-N 3.09Å; A4-A7 PolarHBondContact O-N 2.9Å; A4-F8 VanDerWaalsContact O-CB 3.29Å; A4-F8 WeakPolarHBondContact O-CB 3.3Å; A4-F8 PolarHBondContact O-N 2.76Å; A4-W21 HydrophobicContact CB-CE3 4.48Å; A4-W21 HydrophobicContact CB-CH2 4.39Å; A4-W21 HydrophobicContact CB-CZ3 4.19Å
5G57.5Low55.4Low4 Ų455.3 Ų55.34%0.04130%0.298CS..Hα-helixtrans-62.8-40.716900000113.3M1 E2 R3 F8 V9 L36M1-G5 PolarHBondContact O-N 3.45Å; E2-G5 WeakPolarHBondContact O-CA 3.42Å; E2-G5 PolarHBondContact O-N 2.9Å; R3-G5 VanDerWaalsContact C-N 3.3Å; G5-F8 WeakPolarHBondContact O-CB 3.39Å; G5-F8 PolarHBondContact O-N 2.92Å; G5-V9 WeakPolarHBondContact O-CG2 3.18Å; G5-V9 PolarHBondContact O-N 3.46Å; G5-L36 VanDerWaalsContact CA-CD1 3.46Å
6S57Low55.8Low25 Ų2556.9 Ų56.918%0.17533%0.331CS..Hα-helixtrans-70.7-36.6174.5-53.60000112.7E2 R3 F8 V9 A10 M220 A223E2-S6 PolarHBondContact O-N 3.16Å; E2-S6 VanDerWaalsContact O-N 3.07Å; R3-S6 PolarHBondContact O-N 2.7Å; S6-F8 VanDerWaalsContact C-N 3.34Å; S6-V9 PolarHBondContact O-N 3.25Å; S6-A10 PolarHBondContact O-N 3.42Å; S6-A10 VanDerWaalsContact O-N 3.1Å; S6-M220 WeakPolarHBondContact OG-CA 3.34Å; S6-A223 VanDerWaalsContact CB-CB 3.41Å
7A53.9Low56.6Low19 Ų1954.6 Ų54.616%0.15732%0.322CS..Hα-helixtrans-64.8-37.6170.400000112R3 A4 A10 A11 V227R3-A7 PolarHBondContact O-N 2.65Å; A4-A7 PolarHBondContact O-N 2.9Å; A7-A10 PolarHBondContact O-N 2.93Å; A7-A11 WeakPolarHBondContact O-CB 3.47Å; A7-A11 PolarHBondContact O-N 2.7Å; A7-V227 HydrophobicContact CB-CG2 4.42Å
8F58.8Low57.9Low10 Ų1057.8 Ų57.84%0.04433%0.332CS..Hα-helixtrans-59.8-52.2172.6172.8-96.7000111.4A4 G5 S6 A10 A11 T12 V19 W21 L33 L36A4-F8 VanDerWaalsContact O-CB 3.29Å; A4-F8 WeakPolarHBondContact O-CB 3.3Å; A4-F8 PolarHBondContact O-N 2.76Å; G5-F8 WeakPolarHBondContact O-CB 3.39Å; G5-F8 PolarHBondContact O-N 2.92Å; S6-F8 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 3.2Å; F8-A11 PolarHBondContact O-N 3.23Å; F8-A11 VanDerWaalsContact O-N 3.15Å; F8-T12 HydrophobicContact CD1-CG2 4.28Å; F8-T12 HydrophobicContact CD2-CG2 4.14Å; F8-T12 HydrophobicContact CE1-CG2 3.98Å; F8-T12 HydrophobicContact CE2-CG2 3.83Å; F8-T12 HydrophobicContact CG-CG2 4.36Å; F8-T12 HydrophobicContact CZ-CG2 3.75Å; F8-T12 WeakPolarHBondContact O-CG2 3.47Å; F8-T12 PolarHBondContact O-N 3.28Å; F8-T12 PolarHBondContact O-OG1 3.37Å; F8-V19 HydrophobicContact CB-CG1 4.44Å; F8-V19 HydrophobicContact CD2-CB 3.67Å; F8-V19 HydrophobicContact CD2-CG1 3.88Å; F8-V19 HydrophobicContact CD2-CG2 3.95Å; F8-V19 HydrophobicContact CE2-CB 4.23Å; F8-W21 HydrophobicContact CB-CZ2 3.68Å; F8-W21 HydrophobicContact CD1-CZ2 4.49Å; F8-W21 HydrophobicContact CD2-CZ2 4.32Å; F8-W21 AromaticContact CD2-NE1 3.15Å; F8-W21 AromaticContact CE2-NE1 3.81Å; F8-W21 AromaticContact CG-CZ2 3.94Å; F8-W21 HydrophobicContact CG-CZ2 3.94Å; F8-W21 AromaticContact CG-NE1 3.67Å; F8-L33 HydrophobicContact CD2-CD1 4.36Å; F8-L33 HydrophobicContact CE2-CD1 3.84Å; F8-L33 HydrophobicContact CZ-CD1 4.03Å; F8-L36 HydrophobicContact CD1-CB 4.04Å; F8-L36 HydrophobicContact CD1-CD1 3.96Å; F8-L36 HydrophobicContact CE1-CB 3.88Å
9V59.1Low59.1Low41 Ų4156.2 Ų56.225%0.24832%0.323CS..Hα-helixtrans-60-32.7177.81720000112.5G5 S6 T12 R13 L36G5-V9 WeakPolarHBondContact O-CG2 3.18Å; G5-V9 PolarHBondContact O-N 3.46Å; S6-V9 PolarHBondContact O-N 3.25Å; V9-T12 PolarHBondContact O-OG1 3.2Å; V9-R13 WeakPolarHBondContact O-CD 3.39Å; V9-R13 VanDerWaalsContact O-CG 3.3Å; V9-R13 WeakPolarHBondContact O-CG 3.44Å; V9-L36 HydrophobicContact CG2-CD2 3.85Å
10A57.9Low60.6Low22 Ų2255.7 Ų55.718%0.18232%0.318CS..Hα-helixtrans-72.5-44.2174.500000112.5S6 A7 F8 R13 V227S6-A10 PolarHBondContact O-N 3.42Å; S6-A10 VanDerWaalsContact O-N 3.1Å; A7-A10 PolarHBondContact O-N 2.93Å; F8-A10 PolarHBondContact O-N 3.2Å; A10-R13 WeakPolarHBondContact O-CB 3.45Å; A10-R13 PolarHBondContact O-N 2.9Å; A10-V227 HydrophobicContact CB-CB 4.14Å; A10-V227 HydrophobicContact CB-CG1 3.45Å; A10-V227 VanDerWaalsContact CB-CG1 3.45Å; A10-V227 HydrophobicContact CB-CG2 3.5Å; A10-V227 VanDerWaalsContact CB-CG2 3.5Å
11A56.6Low61.8Low26 Ų2653.7 Ų53.722%0.21531%0.306CS..Hα-helixtrans-71.3-32.3-179.900000112.9A7 F8 R13 L14 V19A7-A11 WeakPolarHBondContact O-CB 3.47Å; A7-A11 PolarHBondContact O-N 2.7Å; F8-A11 PolarHBondContact O-N 3.23Å; F8-A11 VanDerWaalsContact O-N 3.15Å; A11-R13 PolarHBondContact O-N 3.01Å; A11-L14 PolarHBondContact O-N 3.39Å; A11-L14 VanDerWaalsContact O-N 3.14Å; A11-V19 HydrophobicContact CB-CG2 3.4Å; A11-V19 VanDerWaalsContact CB-CG2 3.4Å
12T57.8Low64.1Low14 Ų1452.1 Ų52.19%0.08631%0.305CS..Hα-helixtrans-69.4-17.5173.756.50000113.4F8 V9 L14 R45F8-T12 HydrophobicContact CD1-CG2 4.28Å; F8-T12 HydrophobicContact CD2-CG2 4.14Å; F8-T12 HydrophobicContact CE1-CG2 3.98Å; F8-T12 HydrophobicContact CE2-CG2 3.83Å; F8-T12 HydrophobicContact CG-CG2 4.36Å; F8-T12 HydrophobicContact CZ-CG2 3.75Å; F8-T12 WeakPolarHBondContact O-CG2 3.47Å; F8-T12 PolarHBondContact O-N 3.28Å; F8-T12 PolarHBondContact O-OG1 3.37Å; V9-T12 PolarHBondContact O-OG1 3.2Å; T12-L14 VanDerWaalsContact C-N 3.34Å; T12-R45 HydrophobicContact CG2-CB 4.09Å; T12-R45 PolarHBondContact O-NH1 3.14Å
13R57Low66Low202 Ų20247.8 Ų47.876%0.76229%0.287SS*.THydrogen-bonded Turntrans-78.8-14.2171.5-71170.2-178.7-160.4-1.6113.5V9 A10 A11V9-R13 WeakPolarHBondContact O-CD 3.39Å; V9-R13 VanDerWaalsContact O-CG 3.3Å; V9-R13 WeakPolarHBondContact O-CG 3.44Å; A10-R13 WeakPolarHBondContact O-CB 3.45Å; A10-R13 PolarHBondContact O-N 2.9Å; A11-R13 PolarHBondContact O-N 3.01Å
14L55.8Low67.4Low83 Ų8352.2 Ų52.244%0.43530%0.304SS..SBendtrans-80.9134.8171.8-66.6173.3000110.1A11 T12 G16 G17 C231A11-L14 PolarHBondContact O-N 3.39Å; A11-L14 VanDerWaalsContact O-N 3.14Å; T12-L14 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 3.23Å; L14-G17 PolarHBondContact O-N 2.89Å; L14-C231 HydrophobicContact CD1-CB 4.4Å
15P52.5Low69Low127 Ų12753.8 Ų53.883%0.82531%0.308SS*.THydrogen-bonded Turntrans-55.6126.7173.7-24.834.5000111.2G17P15-G17 PolarHBondContact O-N 3.09Å
16G61.8Low70.5Confident80 Ų8056.5 Ų56.583%0.82532%0.324SS*.THydrogen-bonded Turntrans72.42.3-177.300000115.9L14 K18L14-G16 PolarHBondContact O-N 3.23Å; G16-K18 PolarHBondContact O-N 3.44Å; G16-K18 VanDerWaalsContact O-N 3.16Å
17G69.3Low71.8Confident18 Ų1856.7 Ų56.719%0.18633%0.327CS..  trans-64.1112.1-17900000113.1L14 P15L14-G17 PolarHBondContact O-N 2.89Å; P15-G17 PolarHBondContact O-N 3.09Å
18K80.1Confident73Confident113 Ų11358.9 Ų58.949%0.49133%0.333SS..  trans-104.5136173.3-168.1-177.9-169.6-178.50110.2G16 R45 E70G16-K18 PolarHBondContact O-N 3.44Å; G16-K18 VanDerWaalsContact O-N 3.16Å; K18-R45 WeakPolarHBondContact CA-O 3.42Å; K18-E70 WeakPolarHBondContact CE-OE1 3.37Å; K18-E70 IonicContact NZ-OE1 3.62Å; K18-E70 PolarHBondContact NZ-OE1 3.07Å; K18-E70 IonicContact NZ-OE2 2.9Å; K18-E70 PolarHBondContact NZ-OE2 2.86Å
19V81.1Confident74.1Confident27 Ų2758.4 Ų58.416%0.16433%0.331CS..EExtended strand (participates in β ladder)trans-122.4125.2-178.2-175.50000110.7F8 A11 R45 G46 Y47F8-V19 HydrophobicContact CB-CG1 4.44Å; F8-V19 HydrophobicContact CD2-CB 3.67Å; F8-V19 HydrophobicContact CD2-CG1 3.88Å; F8-V19 HydrophobicContact CD2-CG2 3.95Å; F8-V19 HydrophobicContact CE2-CB 4.23Å; A11-V19 HydrophobicContact CB-CG2 3.4Å; A11-V19 VanDerWaalsContact CB-CG2 3.4Å; V19-R45 PolarHBondContact N-O 3.34Å; V19-G46 WeakPolarHBondContact O-CA 3.37Å; V19-Y47 PolarHBondContact O-N 3.25Å
20I88.2Confident75.2Confident45 Ų4559.8 Ų59.823%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-105118.7177.7-66.5160000108.4A22 Y47 I49 F66 E70I20-A22 PolarHBondContact O-N 3.28Å; I20-Y47 WeakPolarHBondContact CA-O 3.18Å; I20-Y47 HydrophobicContact CD1-CE1 3.9Å; I20-Y47 HydrophobicContact CG1-CD1 4.21Å; I20-Y47 HydrophobicContact CG1-CE1 3.64Å; I20-Y47 HydrophobicContact CG2-CE2 4.47Å; I20-I49 HydrophobicContact CG2-CD1 3.77Å; I20-I49 HydrophobicContact CG2-CG1 3.91Å; I20-F66 HydrophobicContact CD1-CD2 4.03Å; I20-F66 HydrophobicContact CD1-CE2 3.67Å; I20-E70 HydrophobicContact CD1-CG 3.48Å; I20-E70 VanDerWaalsContact CD1-CG 3.48Å
21W87.1Confident76.3Confident14 Ų1462 Ų625%0.05334%0.338CS..EExtended strand (participates in β ladder)trans-87.896.1-178.9-77.865.8000109.4M1 A4 F8 A23 A29 K32 L33 L36 Y47 I48 I49M1-W21 HydrophobicContact CB-CZ3 4.34Å; M1-W21 HydrophobicContact CG-CZ3 4.4Å; A4-W21 HydrophobicContact CB-CE3 4.48Å; A4-W21 HydrophobicContact CB-CH2 4.39Å; A4-W21 HydrophobicContact CB-CZ3 4.19Å; F8-W21 HydrophobicContact CB-CZ2 3.68Å; F8-W21 HydrophobicContact CD1-CZ2 4.49Å; F8-W21 HydrophobicContact CD2-CZ2 4.32Å; F8-W21 AromaticContact CD2-NE1 3.15Å; F8-W21 AromaticContact CE2-NE1 3.81Å; F8-W21 AromaticContact CG-CZ2 3.94Å; F8-W21 HydrophobicContact CG-CZ2 3.94Å; F8-W21 AromaticContact CG-NE1 3.67Å; W21-A23 PolarHBondContact O-N 2.83Å; W21-A29 HydrophobicContact CE3-CB 4.43Å; W21-K32 HydrophobicContact CH2-CG 4.38Å; W21-L33 HydrophobicContact CD2-CD1 4.4Å; W21-L33 HydrophobicContact CG-CD1 4.31Å; W21-L33 HydrophobicContact CZ2-CD1 4.41Å; W21-L36 HydrophobicContact CH2-CD1 3.9Å; W21-L36 HydrophobicContact CZ2-CD1 3.78Å; W21-Y47 PolarHBondContact N-O 3.36Å; W21-I48 HydrophobicContact CB-CB 4.44Å; W21-I48 HydrophobicContact CB-CG1 3.69Å; W21-I48 HydrophobicContact CG-CG1 4.45Å; W21-I48 WeakPolarHBondContact O-CA 3.42Å; W21-I49 PolarHBondContact O-N 2.89Å
22A91.5Very high77.1Confident47 Ų4764.1 Ų64.139%0.38834%0.342SS..EExtended strand (participates in β ladder)trans-76.5113.916900000109.6I20 I49 L51 F62I20-A22 PolarHBondContact O-N 3.28Å; A22-I49 WeakPolarHBondContact CA-O 3.33Å; A22-L51 HydrophobicContact CB-CB 3.91Å; A22-L51 HydrophobicContact CB-CD2 3.62Å; A22-L51 HydrophobicContact CB-CG 4.41Å; A22-F62 HydrophobicContact CB-CD2 4.22Å; A22-F62 HydrophobicContact CB-CE2 3.41Å; A22-F62 VanDerWaalsContact CB-CE2 3.41Å; A22-F62 HydrophobicContact CB-CZ 3.78Å
23A89.4Confident77.9Confident12 Ų1263.8 Ų63.810%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-147.9141-173.900000113.5M1 W21 A29 I49 K50 L51M1-A23 HydrophobicContact CE-CB 4.19Å; W21-A23 PolarHBondContact O-N 2.83Å; A23-A29 HydrophobicContact CB-CB 3.88Å; A23-I49 PolarHBondContact N-O 3.4Å; A23-I49 VanDerWaalsContact N-O 3.13Å; A23-K50 WeakPolarHBondContact O-CA 3.17Å; A23-L51 CarbonylContact C-O 3.6Å; A23-L51 VanDerWaalsContact C-O 3.22Å; A23-L51 PolarHBondContact O-N 3.19Å
24R89.8Confident78.7Confident135 Ų13558 Ų5851%0.50932%0.324SS..SBendtrans-64.2-46.6174.7-175176.887171.515.5111.9L51 D52R24-L51 WeakPolarHBondContact CA-O 3.48Å; R24-L51 PolarHBondContact N-O 2.94Å; R24-D52 WeakPolarHBondContact CD-OD2 3.41Å; R24-D52 HydrophobicContact CG-CB 4.3Å; R24-D52 WeakPolarHBondContact CG-OD2 3.49Å
25D87.8Confident79.3Confident66 Ų6657.9 Ų57.935%0.35332%0.324SS..  trans-10198.8178.3176.2-10.2000108.8M1 A27 K28 A29M1-D25 HydrophobicContact CE-CB 4.26Å; M1-D25 WeakPolarHBondContact CE-O 3.49Å; D25-A27 PolarHBondContact OD1-N 3.3Å; D25-K28 HydrophobicContact CB-CB 4.29Å; D25-K28 WeakPolarHBondContact OD1-CB 3.36Å; D25-K28 PolarHBondContact OD1-N 3Å; D25-K28 WeakPolarHBondContact OD2-CB 3.35Å; D25-A29 WeakPolarHBondContact O-CB 3.19Å; D25-A29 PolarHBondContact O-N 3.49Å
26T88Confident79.9Confident60 Ų6052.9 Ų52.937%0.36829%0.29SS..Hα-helixtrans-73.7-31.3-177.853.70000112.2A29 Q30 I48 K50T26-A29 PolarHBondContact O-N 3.01Å; T26-Q30 WeakPolarHBondContact O-CB 3.28Å; T26-Q30 PolarHBondContact O-N 3.42Å; T26-I48 HydrophobicContact CG2-CG2 3.71Å; T26-K50 HydrophobicContact CG2-CB 3.82Å; T26-K50 HydrophobicContact CG2-CG 4.16Å
27A84.3Confident79.8Confident29 Ų2950.7 Ų50.724%0.2426%0.264CS..Hα-helixtrans-70.8-40.1179.500000112.3D25 Q30 R31D25-A27 PolarHBondContact OD1-N 3.3Å; A27-Q30 PolarHBondContact O-N 3.4Å; A27-R31 WeakPolarHBondContact O-CG 3.29Å; A27-R31 PolarHBondContact O-N 3.37Å; A27-R31 VanDerWaalsContact O-N 3.09Å; A27-R31 PolarHBondContact O-NE 3.05Å
28K80.3Confident78.7Confident65 Ų6560.3 Ų60.328%0.28330%0.295SS..Hα-helixtrans-70-33.7171.7-168.5-178.1-172.8161.50111.7M1 D25 K32 E191M1-K28 HydrophobicContact CE-CB 3.93Å; M1-K28 HydrophobicContact CE-CD 4.33Å; M1-K28 HydrophobicContact CE-CG 4.18Å; M1-K28 VanDerWaalsContact SD-C 3.53Å; M1-K28 HydrophobicContact SD-CB 3.9Å; M1-K28 HydrophobicContact SD-CD 3.98Å; M1-K28 HydrophobicContact SD-CG 3.59Å; M1-K28 VanDerWaalsContact SD-CG 3.59Å; D25-K28 HydrophobicContact CB-CB 4.29Å; D25-K28 WeakPolarHBondContact OD1-CB 3.36Å; D25-K28 PolarHBondContact OD1-N 3Å; D25-K28 WeakPolarHBondContact OD2-CB 3.35Å; K28-K32 PolarHBondContact O-N 3.28Å; K28-E191 WeakPolarHBondContact CE-OE1 3.43Å; K28-E191 IonicContact NZ-OE1 3.7Å; K28-E191 PolarHBondContact NZ-OE1 2.96Å; K28-E191 IonicContact NZ-OE2 3.1Å; K28-E191 PolarHBondContact NZ-OE2 2.88Å
29A81Confident77.1Confident0 Ų059.1 Ų59.10%030%0.297CS..Hα-helixtrans-64.5-43.717100000111.8M1 W21 A23 D25 T26 K32 L33 I48M1-A29 HydrophobicContact CE-CB 3.9Å; M1-A29 HydrophobicContact SD-CB 4.34Å; W21-A29 HydrophobicContact CE3-CB 4.43Å; A23-A29 HydrophobicContact CB-CB 3.88Å; D25-A29 WeakPolarHBondContact O-CB 3.19Å; D25-A29 PolarHBondContact O-N 3.49Å; T26-A29 PolarHBondContact O-N 3.01Å; A29-K32 PolarHBondContact O-N 2.82Å; A29-L33 WeakPolarHBondContact O-CB 3.46Å; A29-L33 PolarHBondContact O-N 3.01Å; A29-I48 HydrophobicContact CB-CD1 3.71Å; A29-I48 HydrophobicContact CB-CG1 4Å; A29-I48 HydrophobicContact CB-CG2 4.24Å
30Q82.5Confident75.5Confident71 Ų7159.2 Ų59.233%0.33230%0.301SS..Hα-helixtrans-65.7-42.2-178.5-173.259.56600111.8T26 A27 K32 L33 N34 I48T26-Q30 WeakPolarHBondContact O-CB 3.28Å; T26-Q30 PolarHBondContact O-N 3.42Å; A27-Q30 PolarHBondContact O-N 3.4Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.46Å; Q30-L33 WeakPolarHBondContact O-CB 3.4Å; Q30-L33 PolarHBondContact O-N 2.99Å; Q30-N34 PolarHBondContact NE2-OD1 2.87Å; Q30-N34 PolarHBondContact O-N 3.3Å; Q30-N34 PolarHBondContact O-OD1 2.62Å; Q30-I48 VanDerWaalsContact CA-CD1 3.42Å; Q30-I48 HydrophobicContact CB-CD1 3.82Å; Q30-I48 VanDerWaalsContact N-CD1 3.29Å
31R80.7Confident73.6Confident69 Ų6965.5 Ų65.526%0.2633%0.329SS..Hα-helixtrans-55.9-48.2170.5-75.9177.2-72.5-171.2-2.7111.4A27 L33 N34 D35A27-R31 WeakPolarHBondContact O-CG 3.29Å; A27-R31 PolarHBondContact O-N 3.37Å; A27-R31 VanDerWaalsContact O-N 3.09Å; A27-R31 PolarHBondContact O-NE 3.05Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.34Å; R31-N34 WeakPolarHBondContact O-CB 3.43Å; R31-N34 PolarHBondContact O-N 3.15Å; R31-N34 VanDerWaalsContact O-N 3.13Å; R31-D35 PolarHBondContact O-N 3.46Å
32K74Confident71.6Confident69 Ų6970.3 Ų70.330%0.335%0.352SS..Hα-helixtrans-69.2-29.6180-155.155.6174.9175.20113.6W21 K28 A29 Q30 D35 L36W21-K32 HydrophobicContact CH2-CG 4.38Å; K28-K32 PolarHBondContact O-N 3.28Å; A29-K32 PolarHBondContact O-N 2.82Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.46Å; K32-D35 HydrophobicContact CD-CB 4.31Å; K32-D35 VanDerWaalsContact CD-OD2 3.24Å; K32-D35 WeakPolarHBondContact CD-OD2 3.24Å; K32-D35 IonicContact NZ-OD2 2.82Å; K32-D35 PolarHBondContact NZ-OD2 3.37Å; K32-L36 HydrophobicContact CG-CD1 4.32Å; K32-L36 WeakPolarHBondContact O-CB 3.47Å; K32-L36 WeakPolarHBondContact O-CD1 3.07Å; K32-L36 WeakPolarHBondContact O-CG 3.12Å; K32-L36 PolarHBondContact O-N 2.83Å
33L74.1Confident69.3Low7 Ų771 Ų714%0.03736%0.364CS..Hα-helixtrans-66.6-38.4171.3-159.986.4000111.2F8 W21 A29 Q30 R31 L36 A37F8-L33 HydrophobicContact CD2-CD1 4.36Å; F8-L33 HydrophobicContact CE2-CD1 3.84Å; F8-L33 HydrophobicContact CZ-CD1 4.03Å; W21-L33 HydrophobicContact CD2-CD1 4.4Å; W21-L33 HydrophobicContact CG-CD1 4.31Å; W21-L33 HydrophobicContact CZ2-CD1 4.41Å; A29-L33 WeakPolarHBondContact O-CB 3.46Å; A29-L33 PolarHBondContact O-N 3.01Å; Q30-L33 WeakPolarHBondContact O-CB 3.4Å; Q30-L33 PolarHBondContact O-N 2.99Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.34Å; L33-L36 PolarHBondContact O-N 2.62Å; L33-A37 VanDerWaalsContact O-CB 3.28Å; L33-A37 WeakPolarHBondContact O-CB 3.44Å; L33-A37 PolarHBondContact O-N 3.11Å
34N73.7Confident67.6Low80 Ų8078.2 Ų78.243%0.42839%0.393SS..Hα-helixtrans-66.4-47.7176.9-65.6-7.5000111.3Q30 R31 L36 A37 W38Q30-N34 PolarHBondContact NE2-OD1 2.87Å; Q30-N34 PolarHBondContact O-N 3.3Å; Q30-N34 PolarHBondContact O-OD1 2.62Å; R31-N34 WeakPolarHBondContact O-CB 3.43Å; R31-N34 PolarHBondContact O-N 3.15Å; R31-N34 VanDerWaalsContact O-N 3.13Å; N34-L36 PolarHBondContact O-N 2.85Å; N34-A37 PolarHBondContact O-N 3.41Å; N34-W38 WeakPolarHBondContact O-CB 3.42Å; N34-W38 PolarHBondContact O-N 3.21Å
35D68.1Low66.4Low81 Ų8176.2 Ų76.243%0.43339%0.386SS..Hα-helixtrans-51.7-43.3173.1-65.1-3.1000111.9R31 K32 T39R31-D35 PolarHBondContact O-N 3.46Å; K32-D35 HydrophobicContact CD-CB 4.31Å; K32-D35 VanDerWaalsContact CD-OD2 3.24Å; K32-D35 WeakPolarHBondContact CD-OD2 3.24Å; K32-D35 IonicContact NZ-OD2 2.82Å; K32-D35 PolarHBondContact NZ-OD2 3.37Å; D35-T39 PolarHBondContact O-N 2.99Å; D35-T39 PolarHBondContact O-OG1 2.76Å
36L64.8Low65.8Low22 Ų2273.6 Ų73.612%0.11537%0.374CS..Hα-helixtrans-78.8-32.7-176.4-69.5169.2000112.6G5 F8 V9 W21 K32 L33 N34 T39 A40G5-L36 VanDerWaalsContact CA-CD1 3.46Å; F8-L36 HydrophobicContact CD1-CB 4.04Å; F8-L36 HydrophobicContact CD1-CD1 3.96Å; F8-L36 HydrophobicContact CE1-CB 3.88Å; V9-L36 HydrophobicContact CG2-CD2 3.85Å; W21-L36 HydrophobicContact CH2-CD1 3.9Å; W21-L36 HydrophobicContact CZ2-CD1 3.78Å; K32-L36 HydrophobicContact CG-CD1 4.32Å; K32-L36 WeakPolarHBondContact O-CB 3.47Å; K32-L36 WeakPolarHBondContact O-CD1 3.07Å; K32-L36 WeakPolarHBondContact O-CG 3.12Å; K32-L36 PolarHBondContact O-N 2.83Å; L33-L36 PolarHBondContact O-N 2.62Å; N34-L36 PolarHBondContact O-N 2.85Å; L36-T39 WeakPolarHBondContact CA-OG1 3.16Å; L36-T39 PolarHBondContact O-OG1 3.24Å; L36-A40 WeakPolarHBondContact O-CB 3.01Å; L36-A40 PolarHBondContact O-N 2.76Å
37A60.2Low65.6Low34 Ų3472.7 Ų72.728%0.28136%0.364SS..Hα-helixtrans-67.7-38.9173.500000111.2L33 N34 T39 A40L33-A37 VanDerWaalsContact O-CB 3.28Å; L33-A37 WeakPolarHBondContact O-CB 3.44Å; L33-A37 PolarHBondContact O-N 3.11Å; N34-A37 PolarHBondContact O-N 3.41Å; A37-T39 VanDerWaalsContact C-N 3.35Å; A37-T39 PolarHBondContact O-N 3.41Å; A37-A40 PolarHBondContact O-N 3.29Å
38W46.2Very low65.9Low220 Ų22072.6 Ų72.683%0.83336%0.359SS*.Hα-helixtrans-63.1-38.9175.9-169.186.6000112.3N34N34-W38 WeakPolarHBondContact O-CB 3.42Å; N34-W38 PolarHBondContact O-N 3.21Å
39T45.8Very low66.5Low88 Ų8870 Ų7054%0.5435%0.349SS..Hα-helixtrans-83.3-11.518042.60000115.5D35 L36 A37D35-T39 PolarHBondContact O-N 2.99Å; D35-T39 PolarHBondContact O-OG1 2.76Å; L36-T39 WeakPolarHBondContact CA-OG1 3.16Å; L36-T39 PolarHBondContact O-OG1 3.24Å; A37-T39 VanDerWaalsContact C-N 3.35Å; A37-T39 PolarHBondContact O-N 3.41Å
40A47.5Very low67.2Low29 Ų2975.5 Ų75.524%0.2437%0.372CS..Hα-helixtrans-101.2-7.9-169.100000116.3L36 A37 H42L36-A40 WeakPolarHBondContact O-CB 3.01Å; L36-A40 PolarHBondContact O-N 2.76Å; A37-A40 PolarHBondContact O-N 3.29Å; A40-H42 PolarHBondContact O-CD2 2.76Å; A40-H42 PolarHBondContact O-N 3.44Å
41H47.8Very low67.8Low177 Ų17772.9 Ų72.982%0.81936%0.361SS*.SBendtrans5011.5-177.2-73.7-69.9000117
42H45.1Very low68.5Low115 Ų11570.8 Ų70.853%0.53236%0.355SS..SBendtrans-128.8125.3178.4-61-42.6000107.9A40A40-H42 PolarHBondContact O-CD2 2.76Å; A40-H42 PolarHBondContact O-N 3.44Å
43G44.9Very low69.6Low62 Ų6268 Ų6864%0.63934%0.343SS*.  trans-57.4171.2-171.300000114.8R45G43-R45 WeakPolarHBondContact O-CG 3.35Å; G43-R45 PolarHBondContact O-N 3.15Å
44K53.2Low70.6Confident164 Ų16468.2 Ų68.271%0.71335%0.345SS*.  trans-51.586.6-169.6-65.4-179.8179.1176.90114.4G46K44-G46 PolarHBondContact O-N 3.01Å; K44-G46 VanDerWaalsContact O-N 3.13Å
45R64.8Low71.5Confident93 Ų9364.4 Ų64.435%0.35133%0.325SS..  trans-81.130.5174.1-70.6-176.7-175.5175.42113.4T12 K18 V19 G43T12-R45 HydrophobicContact CG2-CB 4.09Å; T12-R45 PolarHBondContact O-NH1 3.14Å; K18-R45 WeakPolarHBondContact CA-O 3.42Å; V19-R45 PolarHBondContact N-O 3.34Å; G43-R45 WeakPolarHBondContact O-CG 3.35Å; G43-R45 PolarHBondContact O-N 3.15Å
46G74.3Confident72.6Confident11 Ų1161.9 Ų61.911%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-179.8163.4-173.700000113.8V19 K44V19-G46 WeakPolarHBondContact O-CA 3.37Å; K44-G46 PolarHBondContact O-N 3.01Å; K44-G46 VanDerWaalsContact O-N 3.13Å
47Y84.5Confident74Confident41 Ų4165.4 Ų65.416%0.16133%0.329CS..EExtended strand (participates in β ladder)trans-146172.9176.667.5-83.1000110.2V19 I20 W21 I49 R69 E70V19-Y47 PolarHBondContact O-N 3.25Å; I20-Y47 WeakPolarHBondContact CA-O 3.18Å; I20-Y47 HydrophobicContact CD1-CE1 3.9Å; I20-Y47 HydrophobicContact CG1-CD1 4.21Å; I20-Y47 HydrophobicContact CG1-CE1 3.64Å; I20-Y47 HydrophobicContact CG2-CE2 4.47Å; W21-Y47 PolarHBondContact N-O 3.36Å; Y47-I49 HydrophobicContact CD2-CG1 4.04Å; Y47-I49 HydrophobicContact CE2-CD1 3.71Å; Y47-I49 HydrophobicContact CE2-CG1 3.46Å; Y47-I49 VanDerWaalsContact CE2-CG1 3.46Å; Y47-R69 VanDerWaalsContact CE2-CD 3.47Å; Y47-R69 WeakPolarHBondContact OH-CB 3.35Å; Y47-E70 VanDerWaalsContact CE1-OE1 3.29Å; Y47-E70 WeakPolarHBondContact CE1-OE1 3.45Å; Y47-E70 WeakPolarHBondContact OH-CG 3.43Å; Y47-E70 PolarHBondContact OH-OE1 3.46Å; Y47-E70 VanDerWaalsContact OH-OE1 3.11Å
48I89.5Confident75.6Confident27 Ų2766.2 Ų66.214%0.13833%0.327CS..EExtended strand (participates in β ladder)trans-107.6141.3-176.3-67.1151.6000109.6W21 T26 A29 Q30W21-I48 HydrophobicContact CB-CB 4.44Å; W21-I48 HydrophobicContact CB-CG1 3.69Å; W21-I48 HydrophobicContact CG-CG1 4.45Å; W21-I48 WeakPolarHBondContact O-CA 3.42Å; T26-I48 HydrophobicContact CG2-CG2 3.71Å; A29-I48 HydrophobicContact CB-CD1 3.71Å; A29-I48 HydrophobicContact CB-CG1 4Å; A29-I48 HydrophobicContact CB-CG2 4.24Å; Q30-I48 VanDerWaalsContact CA-CD1 3.42Å; Q30-I48 HydrophobicContact CB-CD1 3.82Å; Q30-I48 VanDerWaalsContact N-CD1 3.29Å
49I93.5Very high78Confident11 Ų1155.8 Ų55.86%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-124.5137.9165.1-50.5177.2000107I20 W21 A22 A23 Y47 L51 F62 E65 F66I20-I49 HydrophobicContact CG2-CD1 3.77Å; I20-I49 HydrophobicContact CG2-CG1 3.91Å; W21-I49 PolarHBondContact O-N 2.89Å; A22-I49 WeakPolarHBondContact CA-O 3.33Å; A23-I49 PolarHBondContact N-O 3.4Å; A23-I49 VanDerWaalsContact N-O 3.13Å; Y47-I49 HydrophobicContact CD2-CG1 4.04Å; Y47-I49 HydrophobicContact CE2-CD1 3.71Å; Y47-I49 HydrophobicContact CE2-CG1 3.46Å; Y47-I49 VanDerWaalsContact CE2-CG1 3.46Å; I49-L51 PolarHBondContact O-N 2.72Å; I49-F62 HydrophobicContact CB-CD2 3.76Å; I49-F62 HydrophobicContact CB-CE2 3.77Å; I49-F62 HydrophobicContact CD1-CE2 4.21Å; I49-F62 HydrophobicContact CG1-CE2 4.5Å; I49-F62 HydrophobicContact CG2-CD2 3.52Å; I49-F62 HydrophobicContact CG2-CE2 4.03Å; I49-F62 HydrophobicContact CG2-CG 4.41Å; I49-E65 HydrophobicContact CG2-CB 4.17Å; I49-E65 HydrophobicContact CG2-CG 4.15Å; I49-F66 HydrophobicContact CD1-CB 4.07Å; I49-F66 HydrophobicContact CD1-CD2 4.4Å
50K95.1Very high80.3Confident114 Ų11453.2 Ų53.250%0.49627%0.27SS..EExtended strand (participates in β ladder)trans-65128.7175.3-168.2175.3-179-178.70108.9A23 T26A23-K50 WeakPolarHBondContact O-CA 3.17Å; T26-K50 HydrophobicContact CG2-CB 3.82Å; T26-K50 HydrophobicContact CG2-CG 4.16Å
51L96Very high82.7Confident16 Ų1656.9 Ų56.98%0.08428%0.282CS..  trans-140.2123172.7173.863.1000109.1A22 A23 R24 I49 L53 I59 F62 L107A22-L51 HydrophobicContact CB-CB 3.91Å; A22-L51 HydrophobicContact CB-CD2 3.62Å; A22-L51 HydrophobicContact CB-CG 4.41Å; A23-L51 CarbonylContact C-O 3.6Å; A23-L51 VanDerWaalsContact C-O 3.22Å; A23-L51 PolarHBondContact O-N 3.19Å; R24-L51 WeakPolarHBondContact CA-O 3.48Å; R24-L51 PolarHBondContact N-O 2.94Å; I49-L51 PolarHBondContact O-N 2.72Å; L51-L53 HydrophobicContact CD1-CD2 4.33Å; L51-L53 HydrophobicContact CD2-CD2 4.16Å; L51-L53 HydrophobicContact CD2-CG 4.37Å; L51-L53 HydrophobicContact CG-CD2 4.41Å; L51-L53 HydrophobicContact CG-CG 4.41Å; L51-I59 HydrophobicContact CD1-CB 4.45Å; L51-I59 HydrophobicContact CD1-CG1 3.95Å; L51-F62 HydrophobicContact CB-CB 4.32Å; L51-F62 HydrophobicContact CB-CD2 3.71Å; L51-F62 HydrophobicContact CB-CE2 4.28Å; L51-F62 HydrophobicContact CB-CG 4.04Å; L51-F62 HydrophobicContact CD1-CB 3.77Å; L51-F62 HydrophobicContact CD1-CD1 4.14Å; L51-F62 HydrophobicContact CD1-CD2 4.38Å; L51-F62 HydrophobicContact CD1-CG 3.82Å; L51-F62 HydrophobicContact CG-CD2 4.41Å; L51-F62 HydrophobicContact CG-CG 4.33Å; L51-L107 HydrophobicContact CD2-CD2 3.96Å
52D95.8Very high85Confident26 Ų2649 Ų4914%0.13925%0.246CC..  trans-114.4128.5164-156.1-24.3000109.2R24 A54 K58 I59R24-D52 WeakPolarHBondContact CD-OD2 3.41Å; R24-D52 HydrophobicContact CG-CB 4.3Å; R24-D52 WeakPolarHBondContact CG-OD2 3.49Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact OD1-N 3.45Å; D52-A54 VanDerWaalsContact OD1-N 3.12Å; D52-K58 HydrophobicContact CB-CB 4.11Å; D52-K58 HydrophobicContact CB-CD 3.89Å; D52-I59 WeakPolarHBondContact O-CG1 3.31Å
53L96.5Very high87.5Confident11 Ų1143.6 Ų43.66%0.05822%0.221CC..THydrogen-bonded Turntrans-87.9-6.6-179.8-69.8169.5000112.3L51 S55 I59 A80 V99 H104 L107L51-L53 HydrophobicContact CD1-CD2 4.33Å; L51-L53 HydrophobicContact CD2-CD2 4.16Å; L51-L53 HydrophobicContact CD2-CG 4.37Å; L51-L53 HydrophobicContact CG-CD2 4.41Å; L51-L53 HydrophobicContact CG-CG 4.41Å; L53-S55 PolarHBondContact O-N 3.45Å; L53-I59 HydrophobicContact CD2-CD1 4.19Å; L53-I59 HydrophobicContact CD2-CG1 4.27Å; L53-A80 HydrophobicContact CD1-CB 3.66Å; L53-V99 HydrophobicContact CB-CG1 4.12Å; L53-V99 HydrophobicContact CD1-CG1 4.48Å; L53-H104 VanDerWaalsContact CD1-CE1 3.45Å; L53-H104 WeakPolarHBondContact CD1-CE1 2.93Å; L53-L107 HydrophobicContact CD2-CB 4.5Å; L53-L107 HydrophobicContact CD2-CD2 4.24Å
54A94.4Very high90Very high10 Ų1045.1 Ų45.18%0.08321%0.214CC..THydrogen-bonded Turntrans-84.315.117400000113.5D52 T89 E90 V99D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact OD1-N 3.45Å; D52-A54 VanDerWaalsContact OD1-N 3.12Å; A54-T89 HydrophobicContact CB-CG2 3.99Å; A54-T89 WeakPolarHBondContact O-CB 3.37Å; A54-E90 PolarHBondContact O-N 3.38Å; A54-V99 HydrophobicContact CB-CG2 3.85Å
55S93.7Very high92Very high1 Ų139.9 Ų39.91%0.00719%0.192CC..  trans-158118.7-179173.80000112L53 N57 K58 I59 E90 D91L53-S55 PolarHBondContact O-N 3.45Å; S55-N57 PolarHBondContact O-N 2.7Å; S55-N57 PolarHBondContact OG-N 2.67Å; S55-K58 PolarHBondContact O-N 3.44Å; S55-K58 PolarHBondContact OG-N 2.92Å; S55-I59 WeakPolarHBondContact O-CG1 3.39Å; S55-I59 PolarHBondContact O-N 2.99Å; S55-E90 VanDerWaalsContact CB-CD 3.48Å; S55-E90 WeakPolarHBondContact CB-OE2 3Å; S55-E90 PolarHBondContact OG-OE2 2.87Å; S55-D91 VanDerWaalsContact CA-OD2 3.32Å; S55-D91 WeakPolarHBondContact CA-OD2 3.49Å
56K91.9Very high93.5Very high28 Ų2835.6 Ų35.612%0.12218%0.176CC..Hα-helixtrans-55.1-40.2171.5-72.2178.3-164.7167.10112.3K58 I59 D60 D91 Y106 Q291K56-K58 PolarHBondContact O-N 3.04Å; K56-I59 WeakPolarHBondContact O-CB 3.27Å; K56-I59 PolarHBondContact O-N 3.32Å; K56-D60 PolarHBondContact O-N 3.34Å; K56-D91 WeakPolarHBondContact CB-OD1 3.02Å; K56-D91 WeakPolarHBondContact CD-OD1 3.47Å; K56-D91 VanDerWaalsContact CG-OD1 3.31Å; K56-D91 WeakPolarHBondContact CG-OD1 3.38Å; K56-D91 PolarHBondContact N-OD2 3.41Å; K56-Y106 HydrophobicContact CB-CD1 4.08Å; K56-Y106 HydrophobicContact CB-CE1 3.69Å; K56-Y106 HydrophobicContact CD-CE1 4.5Å; K56-Y106 HydrophobicContact CD-CE2 4.39Å; K56-Y106 HydrophobicContact CG-CD1 3.84Å; K56-Y106 HydrophobicContact CG-CD2 4.49Å; K56-Y106 HydrophobicContact CG-CE1 3.85Å; K56-Y106 HydrophobicContact CG-CE2 4.49Å; K56-Y106 HydrophobicContact CG-CG 4.19Å; K56-Q291 PolarHBondContact NZ-O 3.08Å
57N92.7Very high94.6Very high95 Ų9538.5 Ų38.551%0.50819%0.186SC..Hα-helixtrans-61.6-43.3178.9-17617.3000111.4S55 D60 Q61S55-N57 PolarHBondContact O-N 2.7Å; S55-N57 PolarHBondContact OG-N 2.67Å; N57-D60 PolarHBondContact O-N 3.49Å; N57-Q61 VanDerWaalsContact O-CG 3.28Å; N57-Q61 WeakPolarHBondContact O-CG 3.45Å; N57-Q61 PolarHBondContact O-N 3.37Å; N57-Q61 PolarHBondContact OD1-NE2 3.23Å
58K94.2Very high95.1Very high52 Ų5244.1 Ų44.123%0.22621%0.211CC..Hα-helixtrans-72.2-28.2176.8-64.6174.4178.8165.80112.5D52 S55 K56 F62 E90D52-K58 HydrophobicContact CB-CB 4.11Å; D52-K58 HydrophobicContact CB-CD 3.89Å; S55-K58 PolarHBondContact O-N 3.44Å; S55-K58 PolarHBondContact OG-N 2.92Å; K56-K58 PolarHBondContact O-N 3.04Å; K58-F62 WeakPolarHBondContact O-CB 3.42Å; K58-F62 PolarHBondContact O-N 3.23Å; K58-F62 VanDerWaalsContact O-N 3.11Å; K58-E90 VanDerWaalsContact CE-OE1 3.26Å; K58-E90 WeakPolarHBondContact CE-OE1 3.47Å; K58-E90 IonicContact NZ-OE1 3.29Å; K58-E90 PolarHBondContact NZ-OE1 2.86Å
59I96.1Very high95.3Very high1 Ų149.2 Ų49.21%0.00523%0.228CC..Hα-helixtrans-66.5-44.8168.7-65.6163.2000110.6L51 D52 L53 S55 K56 F62 V63 Y106 L107L51-I59 HydrophobicContact CD1-CB 4.45Å; L51-I59 HydrophobicContact CD1-CG1 3.95Å; D52-I59 WeakPolarHBondContact O-CG1 3.31Å; L53-I59 HydrophobicContact CD2-CD1 4.19Å; L53-I59 HydrophobicContact CD2-CG1 4.27Å; S55-I59 WeakPolarHBondContact O-CG1 3.39Å; S55-I59 PolarHBondContact O-N 2.99Å; K56-I59 WeakPolarHBondContact O-CB 3.27Å; K56-I59 PolarHBondContact O-N 3.32Å; I59-F62 WeakPolarHBondContact O-CB 3.47Å; I59-F62 PolarHBondContact O-N 3.44Å; I59-V63 HydrophobicContact CG2-CG2 4.37Å; I59-V63 VanDerWaalsContact O-CG2 3.31Å; I59-V63 WeakPolarHBondContact O-CG2 3.4Å; I59-V63 PolarHBondContact O-N 3.05Å; I59-Y106 HydrophobicContact CB-CD1 3.89Å; I59-Y106 HydrophobicContact CB-CE1 4.23Å; I59-Y106 HydrophobicContact CD1-CD1 3.9Å; I59-Y106 HydrophobicContact CG2-CD1 3.61Å; I59-Y106 HydrophobicContact CG2-CE1 4.09Å; I59-L107 HydrophobicContact CG2-CB 4.06Å; I59-L107 HydrophobicContact CG2-CD1 3.96Å
60D95.5Very high95.2Very high34 Ų3450.3 Ų50.318%0.18223%0.233CC..Hα-helixtrans-63.1-44.6179.1-73.4-30.3000111.7K56 N57 F62 V63 D64 Y106 K110K56-D60 PolarHBondContact O-N 3.34Å; N57-D60 PolarHBondContact O-N 3.49Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 3.31Å; D60-V63 PolarHBondContact O-N 2.79Å; D60-V63 VanDerWaalsContact O-N 3.12Å; D60-D64 PolarHBondContact O-N 3.27Å; D60-Y106 VanDerWaalsContact CG-OH 3.29Å; D60-Y106 VanDerWaalsContact OD1-CE1 3.27Å; D60-Y106 WeakPolarHBondContact OD1-CE1 3.34Å; D60-Y106 PolarHBondContact OD1-OH 2.71Å; D60-Y106 PolarHBondContact OD2-OH 2.79Å; D60-K110 VanDerWaalsContact CG-NZ 3.33Å; D60-K110 WeakPolarHBondContact OD1-CD 3.22Å; D60-K110 WeakPolarHBondContact OD1-CE 3.14Å; D60-K110 IonicContact OD1-NZ 3.58Å; D60-K110 PolarHBondContact OD1-NZ 3.32Å; D60-K110 IonicContact OD2-NZ 2.7Å
61Q96.8Very high95Very high106 Ų10653.7 Ų53.750%0.49525%0.248SC..Hα-helixtrans-58.6-42.3172.8-69.1167.224.200112.7N57 V63 E65N57-Q61 VanDerWaalsContact O-CG 3.28Å; N57-Q61 WeakPolarHBondContact O-CG 3.45Å; N57-Q61 PolarHBondContact O-N 3.37Å; N57-Q61 PolarHBondContact OD1-NE2 3.23Å; Q61-V63 VanDerWaalsContact C-N 3.35Å; Q61-E65 WeakPolarHBondContact O-CB 3.43Å; Q61-E65 PolarHBondContact O-N 3.02Å
62F97.2Very high94.8Very high12 Ų1257.1 Ų57.15%0.05327%0.266CS..Hα-helixtrans-61.2-43.7173.9166.6-89.6000111.6A22 I49 L51 K58 I59 D60 E65 F66 L107 L111A22-F62 HydrophobicContact CB-CD2 4.22Å; A22-F62 HydrophobicContact CB-CE2 3.41Å; A22-F62 VanDerWaalsContact CB-CE2 3.41Å; A22-F62 HydrophobicContact CB-CZ 3.78Å; I49-F62 HydrophobicContact CB-CD2 3.76Å; I49-F62 HydrophobicContact CB-CE2 3.77Å; I49-F62 HydrophobicContact CD1-CE2 4.21Å; I49-F62 HydrophobicContact CG1-CE2 4.5Å; I49-F62 HydrophobicContact CG2-CD2 3.52Å; I49-F62 HydrophobicContact CG2-CE2 4.03Å; I49-F62 HydrophobicContact CG2-CG 4.41Å; L51-F62 HydrophobicContact CB-CB 4.32Å; L51-F62 HydrophobicContact CB-CD2 3.71Å; L51-F62 HydrophobicContact CB-CE2 4.28Å; L51-F62 HydrophobicContact CB-CG 4.04Å; L51-F62 HydrophobicContact CD1-CB 3.77Å; L51-F62 HydrophobicContact CD1-CD1 4.14Å; L51-F62 HydrophobicContact CD1-CD2 4.38Å; L51-F62 HydrophobicContact CD1-CG 3.82Å; L51-F62 HydrophobicContact CG-CD2 4.41Å; L51-F62 HydrophobicContact CG-CG 4.33Å; K58-F62 WeakPolarHBondContact O-CB 3.42Å; K58-F62 PolarHBondContact O-N 3.23Å; K58-F62 VanDerWaalsContact O-N 3.11Å; I59-F62 WeakPolarHBondContact O-CB 3.47Å; I59-F62 PolarHBondContact O-N 3.44Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 3.31Å; F62-E65 PolarHBondContact O-N 3.09Å; F62-F66 HydrophobicContact CE1-CB 4.47Å; F62-F66 VanDerWaalsContact O-CB 3.27Å; F62-F66 WeakPolarHBondContact O-CB 3.43Å; F62-F66 PolarHBondContact O-N 3.18Å; F62-L107 HydrophobicContact CD1-CD1 3.69Å; F62-L107 HydrophobicContact CE1-CD1 3.74Å; F62-L111 HydrophobicContact CE1-CD1 4.36Å
63V96.9Very high94.7Very high1 Ų156.9 Ų56.91%0.00627%0.265CS..Hα-helixtrans-66.8-43.9-178.2170.50000111.1I59 D60 Q61 F66 K67 L107 K110 L111I59-V63 HydrophobicContact CG2-CG2 4.37Å; I59-V63 VanDerWaalsContact O-CG2 3.31Å; I59-V63 WeakPolarHBondContact O-CG2 3.4Å; I59-V63 PolarHBondContact O-N 3.05Å; D60-V63 PolarHBondContact O-N 2.79Å; D60-V63 VanDerWaalsContact O-N 3.12Å; Q61-V63 VanDerWaalsContact C-N 3.35Å; V63-F66 PolarHBondContact O-N 3.15Å; V63-K67 HydrophobicContact CG1-CD 3.99Å; V63-K67 HydrophobicContact CG1-CG 4.39Å; V63-K67 WeakPolarHBondContact O-CB 3.2Å; V63-K67 WeakPolarHBondContact O-CG 3.41Å; V63-K67 PolarHBondContact O-N 3.45Å; V63-L107 HydrophobicContact CG2-CD1 3.98Å; V63-K110 HydrophobicContact CB-CB 4.45Å; V63-K110 HydrophobicContact CG1-CB 4.19Å; V63-K110 HydrophobicContact CG2-CB 3.81Å; V63-L111 HydrophobicContact CG1-CD2 4.02Å; V63-L111 HydrophobicContact CG2-CD2 4.07Å; V63-L111 HydrophobicContact CG2-CG 4.05Å
64D96.7Very high94.5Very high93 Ų9361.8 Ų61.850%0.49729%0.287SS..Hα-helixtrans-62.9-43.6176.8-72.5-13000111.1D60 K67 K68D60-D64 PolarHBondContact O-N 3.27Å; D64-K67 PolarHBondContact O-N 3.46Å; D64-K68 VanDerWaalsContact O-CG 3.28Å; D64-K68 WeakPolarHBondContact O-CG 3.32Å; D64-K68 PolarHBondContact O-N 3.34Å
65E96.6Very high94.4Very high54 Ų5463.5 Ų63.525%0.25230%0.298SS..Hα-helixtrans-70.1-32.3178.5-167.158.8-160.900112.8I49 Q61 F62 K68 R69I49-E65 HydrophobicContact CG2-CB 4.17Å; I49-E65 HydrophobicContact CG2-CG 4.15Å; Q61-E65 WeakPolarHBondContact O-CB 3.43Å; Q61-E65 PolarHBondContact O-N 3.02Å; F62-E65 PolarHBondContact O-N 3.09Å; E65-K68 IonicContact OE2-NZ 2.77Å; E65-K68 PolarHBondContact OE2-NZ 3.24Å; E65-R69 WeakPolarHBondContact O-CG 3.32Å; E65-R69 IonicContact OE1-CZ 2.61Å; E65-R69 IonicContact OE1-NE 3.24Å; E65-R69 PolarHBondContact OE1-NE 3.16Å; E65-R69 IonicContact OE1-NH2 3.94Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å
66F96.3Very high94.4Very high4 Ų464.4 Ų64.42%0.01830%0.303CS..Hα-helixtrans-64.3-52169.5175-93.5000111I20 I49 F62 V63 K68 R69 E70 L73 L111 V114I20-F66 HydrophobicContact CD1-CD2 4.03Å; I20-F66 HydrophobicContact CD1-CE2 3.67Å; I49-F66 HydrophobicContact CD1-CB 4.07Å; I49-F66 HydrophobicContact CD1-CD2 4.4Å; F62-F66 HydrophobicContact CE1-CB 4.47Å; F62-F66 VanDerWaalsContact O-CB 3.27Å; F62-F66 WeakPolarHBondContact O-CB 3.43Å; F62-F66 PolarHBondContact O-N 3.18Å; V63-F66 PolarHBondContact O-N 3.15Å; F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 3.32Å; F66-R69 PolarHBondContact O-N 2.96Å; F66-E70 HydrophobicContact CD2-CB 4.38Å; F66-E70 HydrophobicContact CD2-CG 4.18Å; F66-E70 HydrophobicContact CE1-CB 4.26Å; F66-E70 HydrophobicContact CE2-CB 3.85Å; F66-E70 HydrophobicContact CE2-CG 3.77Å; F66-E70 HydrophobicContact CZ-CB 3.75Å; F66-E70 HydrophobicContact CZ-CG 4.2Å; F66-E70 PolarHBondContact O-N 3.18Å; F66-L73 HydrophobicContact CE1-CB 4.2Å; F66-L73 HydrophobicContact CE1-CD2 4.29Å; F66-L73 HydrophobicContact CE2-CD1 4.3Å; F66-L73 HydrophobicContact CZ-CB 3.83Å; F66-L73 HydrophobicContact CZ-CD1 3.94Å; F66-L73 HydrophobicContact CZ-CD2 4.19Å; F66-L73 HydrophobicContact CZ-CG 4.2Å; F66-L111 HydrophobicContact CD1-CD2 3.73Å; F66-L111 HydrophobicContact CE1-CD2 4.12Å; F66-V114 HydrophobicContact CE1-CG1 4.18Å
67K96.1Very high94.5Very high72 Ų7266 Ų6631%0.31331%0.312SS..Hα-helixtrans-65.5-27-177.7-71.9-177.1-175.6-171.10113.7V63 D64 K110 D113 V114V63-K67 HydrophobicContact CG1-CD 3.99Å; V63-K67 HydrophobicContact CG1-CG 4.39Å; V63-K67 WeakPolarHBondContact O-CB 3.2Å; V63-K67 WeakPolarHBondContact O-CG 3.41Å; V63-K67 PolarHBondContact O-N 3.45Å; D64-K67 PolarHBondContact O-N 3.46Å; K67-K110 WeakPolarHBondContact CE-O 3.13Å; K67-K110 PolarHBondContact NZ-O 3.4Å; K67-D113 IonicContact NZ-OD1 2.71Å; K67-D113 PolarHBondContact NZ-OD1 3.17Å; K67-D113 IonicContact NZ-OD2 3.04Å; K67-D113 PolarHBondContact NZ-OD2 3.36Å; K67-V114 HydrophobicContact CD-CG2 4.2Å; K67-V114 HydrophobicContact CG-CG2 4.06Å
68K95.6Very high94.6Very high158 Ų15861.5 Ų61.569%0.68729%0.288SS*.Hα-helixtrans-66.8-34.3170.2-76.2170.8-168.5167.60113.1D64 E65 F66D64-K68 VanDerWaalsContact O-CG 3.28Å; D64-K68 WeakPolarHBondContact O-CG 3.32Å; D64-K68 PolarHBondContact O-N 3.34Å; E65-K68 IonicContact OE2-NZ 2.77Å; E65-K68 PolarHBondContact OE2-NZ 3.24Å; F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 3.32Å
69R93.5Very high94.4Very high134 Ų13461.2 Ų61.251%0.50629%0.289SS..Hα-helixtrans-98.2-32.8-171.7-65.9178.3-173.9-144.72.8113.5Y47 E65 F66Y47-R69 VanDerWaalsContact CE2-CD 3.47Å; Y47-R69 WeakPolarHBondContact OH-CB 3.35Å; E65-R69 WeakPolarHBondContact O-CG 3.32Å; E65-R69 IonicContact OE1-CZ 2.61Å; E65-R69 IonicContact OE1-NE 3.24Å; E65-R69 PolarHBondContact OE1-NE 3.16Å; E65-R69 IonicContact OE1-NH2 3.94Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å; F66-R69 PolarHBondContact O-N 2.96Å
70E92.2Very high94.1Very high34 Ų3463.4 Ų63.416%0.15931%0.307CS..  trans-125.9135.1-174.3-55.7-58.4150.400111.7K18 I20 Y47 F66K18-E70 WeakPolarHBondContact CE-OE1 3.37Å; K18-E70 IonicContact NZ-OE1 3.62Å; K18-E70 PolarHBondContact NZ-OE1 3.07Å; K18-E70 IonicContact NZ-OE2 2.9Å; K18-E70 PolarHBondContact NZ-OE2 2.86Å; I20-E70 HydrophobicContact CD1-CG 3.48Å; I20-E70 VanDerWaalsContact CD1-CG 3.48Å; Y47-E70 VanDerWaalsContact CE1-OE1 3.29Å; Y47-E70 WeakPolarHBondContact CE1-OE1 3.45Å; Y47-E70 WeakPolarHBondContact OH-CG 3.43Å; Y47-E70 PolarHBondContact OH-OE1 3.46Å; Y47-E70 VanDerWaalsContact OH-OE1 3.11Å; F66-E70 HydrophobicContact CD2-CB 4.38Å; F66-E70 HydrophobicContact CD2-CG 4.18Å; F66-E70 HydrophobicContact CE1-CB 4.26Å; F66-E70 HydrophobicContact CE2-CB 3.85Å; F66-E70 HydrophobicContact CE2-CG 3.77Å; F66-E70 HydrophobicContact CZ-CB 3.75Å; F66-E70 HydrophobicContact CZ-CG 4.2Å; F66-E70 PolarHBondContact O-N 3.18Å
71K90.2Very high93.9Very high186 Ų18663.5 Ų63.581%0.80931%0.312SS*.SBendtrans-88.1-23.6172.9-62.9-172.8178.3-1760113.2
72N92.1Very high93.6Very high87 Ų8759.5 Ų59.547%0.46529%0.293SS..  trans-129.2143.7-169.8-59-16.5000111.9S118N72-S118 VanDerWaalsContact CA-OG 3.25Å; N72-S118 WeakPolarHBondContact CA-OG 3.46Å
73L93.9Very high93.1Very high21 Ų2159.8 Ų59.811%0.1129%0.294CS..  trans-133.790.8174.6-175.954.5000110.1F66 L76 L111 V114 L115 S118F66-L73 HydrophobicContact CE1-CB 4.2Å; F66-L73 HydrophobicContact CE1-CD2 4.29Å; F66-L73 HydrophobicContact CE2-CD1 4.3Å; F66-L73 HydrophobicContact CZ-CB 3.83Å; F66-L73 HydrophobicContact CZ-CD1 3.94Å; F66-L73 HydrophobicContact CZ-CD2 4.19Å; F66-L73 HydrophobicContact CZ-CG 4.2Å; L73-L76 HydrophobicContact CD2-CB 4.37Å; L73-L111 HydrophobicContact CD2-CB 4.25Å; L73-L111 HydrophobicContact CD2-CD1 3.91Å; L73-L111 HydrophobicContact CD2-CD2 4.41Å; L73-L111 HydrophobicContact CD2-CG 4.43Å; L73-V114 HydrophobicContact CB-CG1 3.87Å; L73-L115 HydrophobicContact CB-CD2 4.43Å; L73-L115 HydrophobicContact CD2-CD2 4.02Å; L73-L115 HydrophobicContact CD2-CG 4.1Å; L73-L115 HydrophobicContact CG-CD2 3.92Å; L73-L115 HydrophobicContact CG-CG 4.44Å; L73-S118 PolarHBondContact N-OG 3.44Å; L73-S118 WeakPolarHBondContact O-CB 3.41Å
74H91.7Very high92.6Very high115 Ų11559.9 Ų59.953%0.53229%0.294SS..SBendtrans-77.3-24.4-178.1-52.6110.3000113.7S121 R122H74-S121 CarbonylContact O-C 3.38Å; H74-S121 VanDerWaalsContact O-CA 3.24Å; H74-S121 WeakPolarHBondContact O-CA 3.35Å; H74-R122 PolarHBondContact O-N 3.31Å
75C91.8Very high92Very high45 Ų4558.4 Ų58.430%0.30429%0.29SS..EExtended strand (participates in β ladder)trans-150.6126.4178.8-173.80000111.6R122C75-R122 CarbonylContact C-O 3.51Å; C75-R122 WeakPolarHBondContact CA-O 3.48Å; C75-R122 HydrophobicContact CB-CB 4.45Å
76L94.5Very high91.7Very high20 Ų2060.2 Ų60.211%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-111128.4172.1177.859.7000109.5L73 L78 V108 L111 L115 R122 V123 I124L73-L76 HydrophobicContact CD2-CB 4.37Å; L76-L78 HydrophobicContact CD1-CD2 4.26Å; L76-L78 HydrophobicContact CD2-CD2 3.95Å; L76-L78 HydrophobicContact CG-CD2 3.8Å; L76-V108 HydrophobicContact CD2-CG2 3.95Å; L76-L111 HydrophobicContact CD1-CD1 4.37Å; L76-L111 HydrophobicContact CD2-CD1 4.17Å; L76-L115 HydrophobicContact CB-CD2 4.32Å; L76-L115 HydrophobicContact CD2-CD1 4.19Å; L76-R122 PolarHBondContact N-O 2.97Å; L76-V123 CarbonylContact O-C 3.52Å; L76-V123 WeakPolarHBondContact O-CA 3.36Å; L76-I124 PolarHBondContact O-N 3.17Å
77I93.2Very high91.3Very high61 Ų6163.6 Ų63.631%0.31331%0.307SS..EExtended strand (participates in β ladder)trans-117.1106.9-178.4-53.7179.4000110.1N79 I124 V126 T226 A230I77-N79 HydrophobicContact CG2-CB 3.95Å; I77-N79 PolarHBondContact O-N 3.44Å; I77-I124 HydrophobicContact CG1-CB 4.25Å; I77-I124 HydrophobicContact CG1-CG1 4.27Å; I77-I124 HydrophobicContact CG2-CB 4.32Å; I77-V126 HydrophobicContact CG2-CG2 4.28Å; I77-T226 HydrophobicContact CD1-CG2 4.35Å; I77-T226 HydrophobicContact CG2-CG2 3.5Å; I77-A230 HydrophobicContact CD1-CB 4.34Å
78L95.1Very high91.1Very high2 Ų263.8 Ų63.81%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-80.969.9179.2-50.1-177.5000109.9L76 H104 V108 V123 I124 V125 V126 F164L76-L78 HydrophobicContact CD1-CD2 4.26Å; L76-L78 HydrophobicContact CD2-CD2 3.95Å; L76-L78 HydrophobicContact CG-CD2 3.8Å; L78-H104 HydrophobicContact CD1-CB 4.31Å; L78-V108 HydrophobicContact CD1-CG2 3.59Å; L78-V108 HydrophobicContact CD2-CG2 3.89Å; L78-V108 HydrophobicContact CG-CG2 4.32Å; L78-V123 HydrophobicContact CD1-CG1 3.94Å; L78-V123 HydrophobicContact CG-CG1 4.2Å; L78-I124 PolarHBondContact N-O 3.3Å; L78-V125 HydrophobicContact CD1-CG2 4.18Å; L78-V126 WeakPolarHBondContact O-CB 3.25Å; L78-V126 PolarHBondContact O-N 2.96Å; L78-F164 HydrophobicContact CD1-CE1 3.87Å
79N90.7Very high90.8Very high46 Ų4656.8 Ų56.825%0.24628%0.282CS..  trans-97.1-28.3-173.6169.788.5000114.5I77 V126I77-N79 HydrophobicContact CG2-CB 3.95Å; I77-N79 PolarHBondContact O-N 3.44Å; N79-V126 HydrophobicContact CB-CG2 3.9Å
80A89.9Confident90.4Very high46 Ų4655.3 Ų55.338%0.3828%0.28SS..  trans-61141.5-175.500000111.4L53 H104L53-A80 HydrophobicContact CD1-CB 3.66Å; A80-H104 PolarHBondContact O-NE2 2.84Å
81A90.1Very high90.1Very high36 Ų3655.4 Ų55.430%0.29828%0.282SS..  trans-152.9146.5174.700000111.5N100 Y154 L192A81-N100 WeakPolarHBondContact CA-OD1 3.46Å; A81-N100 WeakPolarHBondContact CB-OD1 3.04Å; A81-Y154 HydrophobicContact CB-CE2 4.11Å; A81-L192 HydrophobicContact CB-CD1 4.38Å
82Y90.8Very high90.1Very high22 Ų2248.1 Ų48.19%0.08626%0.26CS..  trans-105.8153.5170.8179.3-109.6000110.8R87 E95 N100 Y154Y82-R87 PolarHBondContact OH-NE 3.18Å; Y82-E95 HydrophobicContact CD1-CB 4.11Å; Y82-E95 HydrophobicContact CD1-CG 3.77Å; Y82-E95 HydrophobicContact CE1-CB 3.84Å; Y82-E95 HydrophobicContact CE1-CG 3.68Å; Y82-E95 WeakPolarHBondContact CE1-OE2 3.44Å; Y82-E95 HydrophobicContact CG-CG 4.31Å; Y82-E95 PolarHBondContact OH-OE2 3.14Å; Y82-N100 PolarHBondContact N-OD1 2.92Å; Y82-N100 PolarHBondContact O-ND2 3.27Å; Y82-Y154 WeakPolarHBondContact O-CD2 3.5Å; Y82-Y154 WeakPolarHBondContact O-CE2 3.31Å
83W87.7Confident90.1Very high19 Ų1945.2 Ų45.27%0.07224%0.243CC..  trans-151.4129.216917293.4000106.8A150 W151 Y154 L192 N195W83-A150 HydrophobicContact CD2-CB 4.43Å; W83-A150 HydrophobicContact CZ2-CB 3.86Å; W83-W151 AromaticContact CE2-CE2 3.98Å; W83-W151 HydrophobicContact CZ2-CD2 4.37Å; W83-W151 AromaticContact CZ2-CE2 3.93Å; W83-W151 HydrophobicContact CZ2-CG 4.48Å; W83-W151 HydrophobicContact CZ2-CZ2 4.39Å; W83-W151 AromaticContact CZ2-NE1 3.73Å; W83-W151 AromaticContact NE1-CD2 3.38Å; W83-W151 AromaticContact NE1-CE2 3.74Å; W83-W151 AromaticContact NE1-CE3 3.59Å; W83-W151 AromaticContact NE1-CG 3.71Å; W83-Y154 HydrophobicContact CB-CD2 3.98Å; W83-Y154 HydrophobicContact CB-CE2 4.45Å; W83-Y154 HydrophobicContact CB-CG 4.49Å; W83-Y154 AromaticContact CD1-CG 3.92Å; W83-L192 HydrophobicContact CB-CD1 3.97Å; W83-L192 HydrophobicContact CB-CG 4.05Å; W83-L192 VanDerWaalsContact CE3-O 3.24Å; W83-N195 HydrophobicContact CE3-CB 4.11Å; W83-N195 HydrophobicContact CZ3-CB 3.82Å; W83-N195 PolarHBondContact O-ND2 3.47Å
84G85.1Confident90.1Very high2 Ų244.3 Ų44.32%0.02124%0.238CC..  trans178.7-172.3-174.200000114.3Y148 A150G84-Y148 PolarHBondContact O-OH 3.17Å; G84-A150 WeakPolarHBondContact O-CB 3.28Å
85P84.4Confident90.2Very high63 Ų6339.8 Ų39.841%0.40922%0.217SC..SBendtrans-63.6160.3170.230.8-35.6000110.8R87P85-R87 PolarHBondContact O-N 2.79Å
86R90.2Very high90.4Very high92 Ų9237.6 Ų37.635%0.34720%0.203SC..  trans-64.4119.4177.4-164.3179.5-173.4-100.5-0.4109.3E94 M143 M144 E145 Y148R86-E94 HydrophobicContact CG-CG 4Å; R86-M143 PolarHBondContact NH2-O 3.33Å; R86-M144 PolarHBondContact NE-O 2.99Å; R86-M144 VanDerWaalsContact NE-O 3.08Å; R86-E145 IonicContact CZ-OE1 2.66Å; R86-E145 IonicContact NH2-OE1 2.94Å; R86-E145 PolarHBondContact NH2-OE1 2.85Å; R86-Y148 HydrophobicContact CB-CD1 3.75Å; R86-Y148 HydrophobicContact CB-CD2 3.7Å; R86-Y148 HydrophobicContact CB-CE1 3.82Å; R86-Y148 HydrophobicContact CB-CE2 3.76Å; R86-Y148 HydrophobicContact CB-CG 3.7Å; R86-Y148 HydrophobicContact CG-CD2 3.64Å; R86-Y148 HydrophobicContact CG-CE2 3.81Å; R86-Y148 HydrophobicContact CG-CG 4.07Å; R86-Y148 VanDerWaalsContact N-CE1 3.27Å
87R89.6Confident90.4Very high75 Ų7536.8 Ų36.828%0.28320%0.198SC..  trans-134.1174.1169.2-47.5-172.5-162.2-153.5-8.6108.8Y82 P85 E94 E95Y82-R87 PolarHBondContact OH-NE 3.18Å; P85-R87 PolarHBondContact O-N 2.79Å; R87-E94 WeakPolarHBondContact O-CA 3.34Å; R87-E95 HydrophobicContact CB-CB 4.17Å; R87-E95 WeakPolarHBondContact CB-OE2 3.5Å; R87-E95 VanDerWaalsContact CD-OE2 3.25Å; R87-E95 WeakPolarHBondContact CD-OE2 3.42Å; R87-E95 WeakPolarHBondContact CG-OE2 3.43Å; R87-E95 IonicContact NE-OE2 3.56Å; R87-E95 PolarHBondContact O-N 2.71Å
88L90.5Very high90.5Very high76 Ų7634 Ų3440%0.39818%0.184SC..BIsolated β-bridgetrans-107.8146.2171.3-60.3178.7000111.1F93L88-F93 CarbonylContact C-O 3.56Å; L88-F93 WeakPolarHBondContact CA-O 3.45Å
89T90Very high90.5Very high10 Ų1034.5 Ų34.56%0.06119%0.187CC..  trans-71.5167.6166.664.80000110.9A54 D91 G92 F93A54-T89 HydrophobicContact CB-CG2 3.99Å; A54-T89 WeakPolarHBondContact O-CB 3.37Å; T89-D91 PolarHBondContact O-N 3.2Å; T89-D91 PolarHBondContact OG1-N 2.97Å; T89-G92 WeakPolarHBondContact O-CA 3.48Å; T89-G92 PolarHBondContact O-N 3.22Å; T89-G92 PolarHBondContact OG1-N 3.35Å; T89-F93 HydrophobicContact CG2-CB 4.43Å; T89-F93 PolarHBondContact N-O 3.06Å; T89-F93 PolarHBondContact OG1-N 3.36Å; T89-F93 PolarHBondContact OG1-O 2.92Å
90E85.6Confident90.8Very high103 Ų10332.3 Ų32.348%0.48118%0.176SC..THydrogen-bonded Turntrans-57.8-31.3173-73.3174.9-152.300112.3A54 S55 K58 G92A54-E90 PolarHBondContact O-N 3.38Å; S55-E90 VanDerWaalsContact CB-CD 3.48Å; S55-E90 WeakPolarHBondContact CB-OE2 3Å; S55-E90 PolarHBondContact OG-OE2 2.87Å; K58-E90 VanDerWaalsContact CE-OE1 3.26Å; K58-E90 WeakPolarHBondContact CE-OE1 3.47Å; K58-E90 IonicContact NZ-OE1 3.29Å; K58-E90 PolarHBondContact NZ-OE1 2.86Å; E90-G92 VanDerWaalsContact C-N 3.25Å; E90-G92 PolarHBondContact O-N 3.43Å
91D85.7Confident91.1Very high37 Ų3730.2 Ų30.220%0.19816%0.158CC..THydrogen-bonded Turntrans-73.3-16.5175.7-61.5-73.7000113.1S55 K56 T89 F93 R301S55-D91 VanDerWaalsContact CA-OD2 3.32Å; S55-D91 WeakPolarHBondContact CA-OD2 3.49Å; K56-D91 WeakPolarHBondContact CB-OD1 3.02Å; K56-D91 WeakPolarHBondContact CD-OD1 3.47Å; K56-D91 VanDerWaalsContact CG-OD1 3.31Å; K56-D91 WeakPolarHBondContact CG-OD1 3.38Å; K56-D91 PolarHBondContact N-OD2 3.41Å; T89-D91 PolarHBondContact O-N 3.2Å; T89-D91 PolarHBondContact OG1-N 2.97Å; D91-F93 HydrophobicContact CB-CD2 3.65Å; D91-F93 HydrophobicContact CB-CE2 3.42Å; D91-F93 VanDerWaalsContact CB-CE2 3.42Å; D91-F93 HydrophobicContact CB-CZ 4.18Å; D91-R301 PolarHBondContact O-NH2 3.25Å
92G89.1Confident91.3Very high32 Ų3228.7 Ų28.733%0.3315%0.145SC..SBendtrans97.221.2-179.600000115T89 E90T89-G92 WeakPolarHBondContact O-CA 3.48Å; T89-G92 PolarHBondContact O-N 3.22Å; T89-G92 PolarHBondContact OG1-N 3.35Å; E90-G92 VanDerWaalsContact C-N 3.25Å; E90-G92 PolarHBondContact O-N 3.43Å
93F92.4Very high91.6Very high26 Ų2627.9 Ų27.911%0.11414%0.143CC..SBendtrans-101.3153.6-179.4-52-52000112.5L88 T89 D91 E95 L102 M143 M290L88-F93 CarbonylContact C-O 3.56Å; L88-F93 WeakPolarHBondContact CA-O 3.45Å; T89-F93 HydrophobicContact CG2-CB 4.43Å; T89-F93 PolarHBondContact N-O 3.06Å; T89-F93 PolarHBondContact OG1-N 3.36Å; T89-F93 PolarHBondContact OG1-O 2.92Å; D91-F93 HydrophobicContact CB-CD2 3.65Å; D91-F93 HydrophobicContact CB-CE2 3.42Å; D91-F93 VanDerWaalsContact CB-CE2 3.42Å; D91-F93 HydrophobicContact CB-CZ 4.18Å; F93-E95 PolarHBondContact O-N 3.37Å; F93-L102 HydrophobicContact CB-CD1 4.04Å; F93-L102 HydrophobicContact CD1-CD1 3.99Å; F93-L102 HydrophobicContact CD2-CD1 3.54Å; F93-L102 HydrophobicContact CE1-CD1 4.34Å; F93-L102 HydrophobicContact CE2-CD1 3.93Å; F93-L102 HydrophobicContact CG-CD1 3.58Å; F93-L102 HydrophobicContact CZ-CD1 4.32Å; F93-M143 VanDerWaalsContact CA-CE 3.43Å; F93-M143 HydrophobicContact CB-CE 3.74Å; F93-M143 HydrophobicContact CD1-CE 3.7Å; F93-M143 HydrophobicContact CG-CE 4.19Å; F93-M290 HydrophobicContact CD1-CE 3.94Å; F93-M290 HydrophobicContact CE1-CB 4.32Å; F93-M290 HydrophobicContact CE1-CE 4.09Å; F93-M290 VanDerWaalsContact CZ-O 3.31Å; F93-M290 WeakPolarHBondContact CZ-O 3.5Å
94E94.8Very high92Very high3 Ų327.2 Ų27.21%0.01414%0.141CC..BIsolated β-bridgetrans-56.3128.4172.7-173.5-78.6133.900110.2R86 R87 T96 F97 G98 M143 Y148R86-E94 HydrophobicContact CG-CG 4Å; R87-E94 WeakPolarHBondContact O-CA 3.34Å; E94-T96 VanDerWaalsContact C-N 3.32Å; E94-T96 PolarHBondContact O-N 3.05Å; E94-T96 WeakPolarHBondContact OE1-CB 3.24Å; E94-T96 PolarHBondContact OE1-N 3.33Å; E94-T96 PolarHBondContact OE1-OG1 3.06Å; E94-T96 WeakPolarHBondContact OE2-CA 3.47Å; E94-T96 VanDerWaalsContact OE2-CB 3.23Å; E94-T96 WeakPolarHBondContact OE2-CB 3.32Å; E94-T96 PolarHBondContact OE2-N 3.49Å; E94-F97 PolarHBondContact O-N 2.81Å; E94-F97 PolarHBondContact OE2-N 3.06Å; E94-G98 WeakPolarHBondContact O-CA 3.45Å; E94-G98 PolarHBondContact O-N 2.94Å; E94-M143 WeakPolarHBondContact CB-O 3.36Å; E94-M143 WeakPolarHBondContact CG-O 3.43Å; E94-Y148 HydrophobicContact CG-CE2 3.92Å; E94-Y148 WeakPolarHBondContact OE1-CE2 3.48Å; E94-Y148 PolarHBondContact OE1-OH 3.43Å
95E94Very high92.5Very high19 Ų1927.5 Ų27.59%0.08914%0.142CC..Hα-helixtrans-59.9-36.6-164.8-167.6-175.6-175.400113.6Y82 R87 F93 V99Y82-E95 HydrophobicContact CD1-CB 4.11Å; Y82-E95 HydrophobicContact CD1-CG 3.77Å; Y82-E95 HydrophobicContact CE1-CB 3.84Å; Y82-E95 HydrophobicContact CE1-CG 3.68Å; Y82-E95 WeakPolarHBondContact CE1-OE2 3.44Å; Y82-E95 HydrophobicContact CG-CG 4.31Å; Y82-E95 PolarHBondContact OH-OE2 3.14Å; R87-E95 HydrophobicContact CB-CB 4.17Å; R87-E95 WeakPolarHBondContact CB-OE2 3.5Å; R87-E95 VanDerWaalsContact CD-OE2 3.25Å; R87-E95 WeakPolarHBondContact CD-OE2 3.42Å; R87-E95 WeakPolarHBondContact CG-OE2 3.43Å; R87-E95 IonicContact NE-OE2 3.56Å; R87-E95 PolarHBondContact O-N 2.71Å; F93-E95 PolarHBondContact O-N 3.37Å; E95-V99 HydrophobicContact CG-CG2 4.2Å; E95-V99 VanDerWaalsContact O-CB 3.23Å; E95-V99 WeakPolarHBondContact O-CB 3.48Å; E95-V99 VanDerWaalsContact O-CG2 3.27Å; E95-V99 WeakPolarHBondContact O-CG2 3.24Å; E95-V99 PolarHBondContact O-N 3.18Å
96T94.7Very high93.1Very high0 Ų026.2 Ų26.20%013%0.129CC..Hα-helixtrans-68.1-49.7178.8-46.50000111.9E94 N100 Y148 A153 Y154E94-T96 VanDerWaalsContact C-N 3.32Å; E94-T96 PolarHBondContact O-N 3.05Å; E94-T96 WeakPolarHBondContact OE1-CB 3.24Å; E94-T96 PolarHBondContact OE1-N 3.33Å; E94-T96 PolarHBondContact OE1-OG1 3.06Å; E94-T96 WeakPolarHBondContact OE2-CA 3.47Å; E94-T96 VanDerWaalsContact OE2-CB 3.23Å; E94-T96 WeakPolarHBondContact OE2-CB 3.32Å; E94-T96 PolarHBondContact OE2-N 3.49Å; T96-N100 WeakPolarHBondContact CG2-ND2 3.4Å; T96-N100 WeakPolarHBondContact O-CB 3.44Å; T96-N100 PolarHBondContact O-N 2.77Å; T96-N100 PolarHBondContact O-ND2 3.41Å; T96-Y148 PolarHBondContact OG1-OH 3.43Å; T96-A153 HydrophobicContact CG2-CB 4.23Å; T96-Y154 HydrophobicContact CG2-CD2 4.31Å
97F95.4Very high93.4Very high2 Ų222.2 Ų22.21%0.00911%0.114CC..Hα-helixtrans-66.8-43.6175-178.8-115.2000111.8E94 H101 L102 L142 M143 C160 L283 M290E94-F97 PolarHBondContact O-N 2.81Å; E94-F97 PolarHBondContact OE2-N 3.06Å; F97-H101 HydrophobicContact CD2-CB 4.05Å; F97-H101 HydrophobicContact CE2-CB 4.01Å; F97-H101 AromaticContact CE2-CD2 3.39Å; F97-H101 WeakPolarHBondContact CE2-CD2 3.31Å; F97-H101 AromaticContact CE2-CG 3.81Å; F97-H101 AromaticContact CZ-CD2 3.48Å; F97-H101 VanDerWaalsContact CZ-CD2 3.48Å; F97-H101 WeakPolarHBondContact CZ-CD2 3.43Å; F97-H101 WeakPolarHBondContact O-CB 3Å; F97-H101 PolarHBondContact O-N 3.42Å; F97-L102 HydrophobicContact CD1-CD1 3.9Å; F97-L102 HydrophobicContact CD1-CG 4.14Å; F97-L102 HydrophobicContact CE1-CD1 3.72Å; F97-L102 HydrophobicContact CE1-CD2 4.07Å; F97-L102 HydrophobicContact CE1-CG 3.81Å; F97-L102 HydrophobicContact CZ-CD2 4.28Å; F97-L102 HydrophobicContact CZ-CG 4.31Å; F97-L102 PolarHBondContact O-N 2.7Å; F97-L142 HydrophobicContact CE1-CB 4.36Å; F97-L142 HydrophobicContact CE2-CD2 4.48Å; F97-L142 HydrophobicContact CZ-CB 4.42Å; F97-L142 HydrophobicContact CZ-CD2 4.27Å; F97-M143 HydrophobicContact CD1-SD 3.9Å; F97-M143 HydrophobicContact CE1-SD 4.21Å; F97-C160 HydrophobicContact CE2-CB 4.08Å; F97-L283 HydrophobicContact CZ-CD1 4.49Å; F97-M290 HydrophobicContact CE1-CE 4.01Å; F97-M290 HydrophobicContact CE1-SD 4.17Å
98G94.9Very high93.7Very high2 Ų218.7 Ų18.72%0.02110%0.102CC..Iπ-helixtrans-55.9-53.1176.800000112.3E94 L102 G103E94-G98 WeakPolarHBondContact O-CA 3.45Å; E94-G98 PolarHBondContact O-N 2.94Å; G98-L102 PolarHBondContact O-N 2.77Å; G98-G103 PolarHBondContact O-N 3.31Å
99V95.5Very high93.9Very high13 Ų1322.7 Ų22.78%0.07911%0.112CC..Iπ-helixtrans-73.9-44.5179.7170.50000112.5L53 A54 E95 H104L53-V99 HydrophobicContact CB-CG1 4.12Å; L53-V99 HydrophobicContact CD1-CG1 4.48Å; A54-V99 HydrophobicContact CB-CG2 3.85Å; E95-V99 HydrophobicContact CG-CG2 4.2Å; E95-V99 VanDerWaalsContact O-CB 3.23Å; E95-V99 WeakPolarHBondContact O-CB 3.48Å; E95-V99 VanDerWaalsContact O-CG2 3.27Å; E95-V99 WeakPolarHBondContact O-CG2 3.24Å; E95-V99 PolarHBondContact O-N 3.18Å; V99-H104 PolarHBondContact O-CD2 2.77Å; V99-H104 VanDerWaalsContact O-CD2 3.28Å
100N95.5Very high94.2Very high0 Ų025 Ų250%012%0.122CC..Iπ-helixtrans-81.2-18.7-170-62.7-14.2000113.9A81 Y82 T96 S157 T161A81-N100 WeakPolarHBondContact CA-OD1 3.46Å; A81-N100 WeakPolarHBondContact CB-OD1 3.04Å; Y82-N100 PolarHBondContact N-OD1 2.92Å; Y82-N100 PolarHBondContact O-ND2 3.27Å; T96-N100 WeakPolarHBondContact CG2-ND2 3.4Å; T96-N100 WeakPolarHBondContact O-CB 3.44Å; T96-N100 PolarHBondContact O-N 2.77Å; T96-N100 PolarHBondContact O-ND2 3.41Å; N100-S157 PolarHBondContact ND2-OG 2.74Å; N100-T161 PolarHBondContact O-OG1 2.87Å
101H96.3Very high94.7Very high2 Ų220.2 Ų20.21%0.00910%0.099CC..Iπ-helixtrans-129.4-63.2-175.7177.480.7000111.9F97 H104 M105 C160 S287F97-H101 HydrophobicContact CD2-CB 4.05Å; F97-H101 HydrophobicContact CE2-CB 4.01Å; F97-H101 AromaticContact CE2-CD2 3.39Å; F97-H101 WeakPolarHBondContact CE2-CD2 3.31Å; F97-H101 AromaticContact CE2-CG 3.81Å; F97-H101 AromaticContact CZ-CD2 3.48Å; F97-H101 VanDerWaalsContact CZ-CD2 3.48Å; F97-H101 WeakPolarHBondContact CZ-CD2 3.43Å; F97-H101 WeakPolarHBondContact O-CB 3Å; F97-H101 PolarHBondContact O-N 3.42Å; H101-H104 PolarHBondContact O-N 2.77Å; H101-M105 WeakPolarHBondContact O-CB 3.37Å; H101-M105 PolarHBondContact O-N 2.72Å; H101-C160 HydrophobicContact CB-CB 4.39Å; H101-C160 PolarHBondContact ND1-O 3.4Å; H101-S287 PolarHBondContact NE2-OG 2.94Å
102L96.1Very high95.2Very high4 Ų420 Ų202%0.02110%0.098CC..Iπ-helixtrans-64.7-49.9-171.8-63.9175.8000112.8F93 F97 G98 H104 M105 Y106 M290 Q291F93-L102 HydrophobicContact CB-CD1 4.04Å; F93-L102 HydrophobicContact CD1-CD1 3.99Å; F93-L102 HydrophobicContact CD2-CD1 3.54Å; F93-L102 HydrophobicContact CE1-CD1 4.34Å; F93-L102 HydrophobicContact CE2-CD1 3.93Å; F93-L102 HydrophobicContact CG-CD1 3.58Å; F93-L102 HydrophobicContact CZ-CD1 4.32Å; F97-L102 HydrophobicContact CD1-CD1 3.9Å; F97-L102 HydrophobicContact CD1-CG 4.14Å; F97-L102 HydrophobicContact CE1-CD1 3.72Å; F97-L102 HydrophobicContact CE1-CD2 4.07Å; F97-L102 HydrophobicContact CE1-CG 3.81Å; F97-L102 HydrophobicContact CZ-CD2 4.28Å; F97-L102 HydrophobicContact CZ-CG 4.31Å; F97-L102 PolarHBondContact O-N 2.7Å; G98-L102 PolarHBondContact O-N 2.77Å; L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 3.09Å; L102-M105 WeakPolarHBondContact O-CB 3.1Å; L102-M105 PolarHBondContact O-N 3.47Å; L102-M105 VanDerWaalsContact O-N 3.13Å; L102-Y106 PolarHBondContact O-N 2.78Å; L102-M290 HydrophobicContact CD1-CE 4.02Å; L102-Q291 HydrophobicContact CD2-CG 4.4Å; L102-Q291 PolarHBondContact O-NE2 3.23Å
103G95.8Very high95.4Very high5 Ų522.6 Ų22.65%0.05210%0.104CC..Hα-helixtrans-60.9-38.8179.700000112.9G98 Y106 L107G98-G103 PolarHBondContact O-N 3.31Å; G103-Y106 PolarHBondContact O-N 3.33Å; G103-L107 VanDerWaalsContact O-CB 3.31Å; G103-L107 WeakPolarHBondContact O-CB 3.05Å; G103-L107 PolarHBondContact O-N 3.48Å
104H96.9Very high95.6Very high6 Ų622 Ų223%0.02810%0.103CC..Hα-helixtrans-65.7-41.9173.5-80.5-63.4000112.3L53 L78 A80 V99 H101 L102 L107 V108L53-H104 VanDerWaalsContact CD1-CE1 3.45Å; L53-H104 WeakPolarHBondContact CD1-CE1 2.93Å; L78-H104 HydrophobicContact CD1-CB 4.31Å; A80-H104 PolarHBondContact O-NE2 2.84Å; V99-H104 PolarHBondContact O-CD2 2.77Å; V99-H104 VanDerWaalsContact O-CD2 3.28Å; H101-H104 PolarHBondContact O-N 2.77Å; L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 3.09Å; H104-L107 PolarHBondContact O-N 2.71Å; H104-V108 WeakPolarHBondContact O-CG2 3.07Å; H104-V108 PolarHBondContact O-N 3.43Å
105M95.5Very high95.7Very high8 Ų821.9 Ų21.94%0.03910%0.102CC..Hα-helixtrans-62.6-43.8175.9175168.7176.800111.8H101 L102 V108 Y109 F164 W284 S287 C288H101-M105 WeakPolarHBondContact O-CB 3.37Å; H101-M105 PolarHBondContact O-N 2.72Å; L102-M105 WeakPolarHBondContact O-CB 3.1Å; L102-M105 PolarHBondContact O-N 3.47Å; L102-M105 VanDerWaalsContact O-N 3.13Å; M105-V108 PolarHBondContact O-N 2.74Å; M105-Y109 PolarHBondContact O-N 2.84Å; M105-F164 HydrophobicContact CB-CD2 4.19Å; M105-F164 HydrophobicContact CB-CE2 3.77Å; M105-F164 HydrophobicContact CB-CZ 4.05Å; M105-F164 HydrophobicContact CG-CD2 4.14Å; M105-F164 HydrophobicContact CG-CE2 3.66Å; M105-F164 HydrophobicContact CG-CZ 4.33Å; M105-F164 HydrophobicContact SD-CD2 4.11Å; M105-F164 HydrophobicContact SD-CE2 4.18Å; M105-W284 HydrophobicContact CE-CD2 3.92Å; M105-W284 HydrophobicContact CE-CE3 4.39Å; M105-W284 HydrophobicContact CE-CG 4.18Å; M105-W284 HydrophobicContact CE-CZ2 4.23Å; M105-S287 WeakPolarHBondContact SD-CB 3.37Å; M105-C288 HydrophobicContact CE-CB 4.5Å; M105-C288 WeakPolarHBondContact CE-SG 2.9Å
106Y95.8Very high95.8Very high36 Ų3626.2 Ų26.214%0.14112%0.121CC..Hα-helixtrans-62.9-46.2176.6-168.6-117.2000111.2K56 I59 D60 L102 G103 V108 Y109 K110 Q291K56-Y106 HydrophobicContact CB-CD1 4.08Å; K56-Y106 HydrophobicContact CB-CE1 3.69Å; K56-Y106 HydrophobicContact CD-CE1 4.5Å; K56-Y106 HydrophobicContact CD-CE2 4.39Å; K56-Y106 HydrophobicContact CG-CD1 3.84Å; K56-Y106 HydrophobicContact CG-CD2 4.49Å; K56-Y106 HydrophobicContact CG-CE1 3.85Å; K56-Y106 HydrophobicContact CG-CE2 4.49Å; K56-Y106 HydrophobicContact CG-CG 4.19Å; I59-Y106 HydrophobicContact CB-CD1 3.89Å; I59-Y106 HydrophobicContact CB-CE1 4.23Å; I59-Y106 HydrophobicContact CD1-CD1 3.9Å; I59-Y106 HydrophobicContact CG2-CD1 3.61Å; I59-Y106 HydrophobicContact CG2-CE1 4.09Å; D60-Y106 VanDerWaalsContact CG-OH 3.29Å; D60-Y106 VanDerWaalsContact OD1-CE1 3.27Å; D60-Y106 WeakPolarHBondContact OD1-CE1 3.34Å; D60-Y106 PolarHBondContact OD1-OH 2.71Å; D60-Y106 PolarHBondContact OD2-OH 2.79Å; L102-Y106 PolarHBondContact O-N 2.78Å; G103-Y106 PolarHBondContact O-N 3.33Å; Y106-V108 PolarHBondContact O-N 2.79Å; Y106-Y109 WeakPolarHBondContact O-CB 3.43Å; Y106-Y109 PolarHBondContact O-N 3.23Å; Y106-Y109 VanDerWaalsContact O-N 3.14Å; Y106-K110 HydrophobicContact CD1-CG 4.2Å; Y106-K110 HydrophobicContact CD2-CG 4.43Å; Y106-K110 HydrophobicContact CE1-CD 4.33Å; Y106-K110 HydrophobicContact CE1-CG 3.9Å; Y106-K110 HydrophobicContact CE2-CD 4.13Å; Y106-K110 HydrophobicContact CE2-CG 4.15Å; Y106-K110 HydrophobicContact CG-CG 4.44Å; Y106-K110 WeakPolarHBondContact O-CG 3.46Å; Y106-K110 PolarHBondContact O-N 2.92Å; Y106-Q291 VanDerWaalsContact CB-OE1 3.3Å
107L97.2Very high95.8Very high7 Ų730.1 Ų30.14%0.03715%0.153CC..Hα-helixtrans-58.1-45.1177.4178.265.9000112.5L51 L53 I59 F62 V63 G103 H104 Y109 K110 L111L51-L107 HydrophobicContact CD2-CD2 3.96Å; L53-L107 HydrophobicContact CD2-CB 4.5Å; L53-L107 HydrophobicContact CD2-CD2 4.24Å; I59-L107 HydrophobicContact CG2-CB 4.06Å; I59-L107 HydrophobicContact CG2-CD1 3.96Å; F62-L107 HydrophobicContact CD1-CD1 3.69Å; F62-L107 HydrophobicContact CE1-CD1 3.74Å; V63-L107 HydrophobicContact CG2-CD1 3.98Å; G103-L107 VanDerWaalsContact O-CB 3.31Å; G103-L107 WeakPolarHBondContact O-CB 3.05Å; G103-L107 PolarHBondContact O-N 3.48Å; H104-L107 PolarHBondContact O-N 2.71Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-K110 PolarHBondContact O-N 2.71Å; L107-L111 HydrophobicContact CD1-CD1 3.7Å; L107-L111 HydrophobicContact CD1-CG 4.36Å; L107-L111 HydrophobicContact CG-CD1 4.06Å; L107-L111 WeakPolarHBondContact O-CB 3.11Å; L107-L111 WeakPolarHBondContact O-CG 3.1Å; L107-L111 PolarHBondContact O-N 3.47Å; L107-L111 VanDerWaalsContact O-N 3.17Å
108V96.2Very high95.8Very high2 Ų230.3 Ų30.31%0.01216%0.155CC..Hα-helixtrans-61.2-44.3175.4169.80000110.8L76 L78 H104 M105 Y106 K110 L111 L112 V123 F164 L168L76-V108 HydrophobicContact CD2-CG2 3.95Å; L78-V108 HydrophobicContact CD1-CG2 3.59Å; L78-V108 HydrophobicContact CD2-CG2 3.89Å; L78-V108 HydrophobicContact CG-CG2 4.32Å; H104-V108 WeakPolarHBondContact O-CG2 3.07Å; H104-V108 PolarHBondContact O-N 3.43Å; M105-V108 PolarHBondContact O-N 2.74Å; Y106-V108 PolarHBondContact O-N 2.79Å; V108-K110 PolarHBondContact O-N 2.77Å; V108-L111 PolarHBondContact O-N 2.74Å; V108-L112 HydrophobicContact CG1-CD1 3.8Å; V108-L112 WeakPolarHBondContact O-CD1 3.26Å; V108-L112 PolarHBondContact O-N 3.41Å; V108-V123 HydrophobicContact CG2-CG1 4.29Å; V108-F164 HydrophobicContact CB-CZ 4.27Å; V108-F164 HydrophobicContact CG1-CZ 4.46Å; V108-F164 HydrophobicContact CG2-CE1 4.49Å; V108-F164 HydrophobicContact CG2-CZ 4.16Å; V108-L168 HydrophobicContact CG1-CD1 3.81Å; V108-L168 HydrophobicContact CG1-CD2 3.93Å
109Y94.8Very high95.7Very high159 Ų15932.5 Ų32.562%0.62417%0.172SC*.Hα-helixtrans-62.4-42.6179.5-170.8-93.4000112.3M105 Y106 L107 L111 L112M105-Y109 PolarHBondContact O-N 2.84Å; Y106-Y109 WeakPolarHBondContact O-CB 3.43Å; Y106-Y109 PolarHBondContact O-N 3.23Å; Y106-Y109 VanDerWaalsContact O-N 3.14Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-L111 VanDerWaalsContact C-N 3.31Å; Y109-L111 PolarHBondContact O-N 2.85Å; Y109-L112 WeakPolarHBondContact O-CB 3.16Å; Y109-L112 PolarHBondContact O-N 2.8Å
110K95.2Very high95.6Very high60 Ų6037.5 Ų37.526%0.26121%0.205SC..Hα-helixtrans-71.9-19.9179.4-66.4-64.9-60.2-125.90114.4D60 V63 K67 Y106 L107 V108D60-K110 VanDerWaalsContact CG-NZ 3.33Å; D60-K110 WeakPolarHBondContact OD1-CD 3.22Å; D60-K110 WeakPolarHBondContact OD1-CE 3.14Å; D60-K110 IonicContact OD1-NZ 3.58Å; D60-K110 PolarHBondContact OD1-NZ 3.32Å; D60-K110 IonicContact OD2-NZ 2.7Å; V63-K110 HydrophobicContact CB-CB 4.45Å; V63-K110 HydrophobicContact CG1-CB 4.19Å; V63-K110 HydrophobicContact CG2-CB 3.81Å; K67-K110 WeakPolarHBondContact CE-O 3.13Å; K67-K110 PolarHBondContact NZ-O 3.4Å; Y106-K110 HydrophobicContact CD1-CG 4.2Å; Y106-K110 HydrophobicContact CD2-CG 4.43Å; Y106-K110 HydrophobicContact CE1-CD 4.33Å; Y106-K110 HydrophobicContact CE1-CG 3.9Å; Y106-K110 HydrophobicContact CE2-CD 4.13Å; Y106-K110 HydrophobicContact CE2-CG 4.15Å; Y106-K110 HydrophobicContact CG-CG 4.44Å; Y106-K110 WeakPolarHBondContact O-CG 3.46Å; Y106-K110 PolarHBondContact O-N 2.92Å; L107-K110 PolarHBondContact O-N 2.71Å; V108-K110 PolarHBondContact O-N 2.77Å
111L97.2Very high95.6Very high2 Ų237.5 Ų37.51%0.0121%0.205CC..THydrogen-bonded Turntrans-103.31.4176.7-68172.1000114F62 V63 F66 L73 L76 L107 V108 Y109 D113 V114 L115F62-L111 HydrophobicContact CE1-CD1 4.36Å; V63-L111 HydrophobicContact CG1-CD2 4.02Å; V63-L111 HydrophobicContact CG2-CD2 4.07Å; V63-L111 HydrophobicContact CG2-CG 4.05Å; F66-L111 HydrophobicContact CD1-CD2 3.73Å; F66-L111 HydrophobicContact CE1-CD2 4.12Å; L73-L111 HydrophobicContact CD2-CB 4.25Å; L73-L111 HydrophobicContact CD2-CD1 3.91Å; L73-L111 HydrophobicContact CD2-CD2 4.41Å; L73-L111 HydrophobicContact CD2-CG 4.43Å; L76-L111 HydrophobicContact CD1-CD1 4.37Å; L76-L111 HydrophobicContact CD2-CD1 4.17Å; L107-L111 HydrophobicContact CD1-CD1 3.7Å; L107-L111 HydrophobicContact CD1-CG 4.36Å; L107-L111 HydrophobicContact CG-CD1 4.06Å; L107-L111 WeakPolarHBondContact O-CB 3.11Å; L107-L111 WeakPolarHBondContact O-CG 3.1Å; L107-L111 PolarHBondContact O-N 3.47Å; L107-L111 VanDerWaalsContact O-N 3.17Å; V108-L111 PolarHBondContact O-N 2.74Å; Y109-L111 VanDerWaalsContact C-N 3.31Å; Y109-L111 PolarHBondContact O-N 2.85Å; L111-D113 VanDerWaalsContact C-N 3.26Å; L111-D113 PolarHBondContact O-N 3.3Å; L111-V114 PolarHBondContact O-N 2.86Å; L111-L115 HydrophobicContact CB-CD1 4.41Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 2.83Å
112L95.4Very high95.4Very high32 Ų3239.5 Ų39.517%0.16821%0.213CC..Hα-helixtrans-62.9-32.3-171.4-145.484.1000113.1V108 Y109 K116 L172V108-L112 HydrophobicContact CG1-CD1 3.8Å; V108-L112 WeakPolarHBondContact O-CD1 3.26Å; V108-L112 PolarHBondContact O-N 3.41Å; Y109-L112 WeakPolarHBondContact O-CB 3.16Å; Y109-L112 PolarHBondContact O-N 2.8Å; L112-K116 WeakPolarHBondContact O-CB 3.32Å; L112-K116 VanDerWaalsContact O-CG 3.24Å; L112-K116 WeakPolarHBondContact O-CG 3.49Å; L112-K116 PolarHBondContact O-N 2.87Å; L112-L172 HydrophobicContact CD1-CD1 4.41Å; L112-L172 HydrophobicContact CD1-CD2 4.15Å; L112-L172 HydrophobicContact CD2-CD2 4.19Å; L112-L172 HydrophobicContact CG-CD2 4.34Å
113D94.2Very high95.4Very high87 Ų8739.3 Ų39.347%0.46521%0.212SC..Hα-helixtrans-64.2-48.2174.859.9-33.7000111.8K67 L111 K116 A117K67-D113 IonicContact NZ-OD1 2.71Å; K67-D113 PolarHBondContact NZ-OD1 3.17Å; K67-D113 IonicContact NZ-OD2 3.04Å; K67-D113 PolarHBondContact NZ-OD2 3.36Å; L111-D113 VanDerWaalsContact C-N 3.26Å; L111-D113 PolarHBondContact O-N 3.3Å; D113-K116 PolarHBondContact O-N 3.16Å; D113-A117 WeakPolarHBondContact O-CB 3.27Å; D113-A117 PolarHBondContact O-N 3.3Å
114V96.7Very high95.3Very high14 Ų1439.1 Ų39.19%0.08521%0.209CC..Hα-helixtrans-70.2-38.9179-174.90000111.1F66 K67 L73 L111 K116 A117 S118F66-V114 HydrophobicContact CE1-CG1 4.18Å; K67-V114 HydrophobicContact CD-CG2 4.2Å; K67-V114 HydrophobicContact CG-CG2 4.06Å; L73-V114 HydrophobicContact CB-CG1 3.87Å; L111-V114 PolarHBondContact O-N 2.86Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 2.61Å; V114-A117 PolarHBondContact O-N 3.38Å; V114-S118 VanDerWaalsContact O-CB 3.28Å; V114-S118 WeakPolarHBondContact O-CB 3.44Å; V114-S118 PolarHBondContact O-N 3.18Å; V114-S118 PolarHBondContact O-OG 3.23Å
115L96.7Very high95.3Very high0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-59.1-42.1173.9-76.6164.2000111.8L73 L76 L111 S118 A119 S121 V123 I177L73-L115 HydrophobicContact CB-CD2 4.43Å; L73-L115 HydrophobicContact CD2-CD2 4.02Å; L73-L115 HydrophobicContact CD2-CG 4.1Å; L73-L115 HydrophobicContact CG-CD2 3.92Å; L73-L115 HydrophobicContact CG-CG 4.44Å; L76-L115 HydrophobicContact CB-CD2 4.32Å; L76-L115 HydrophobicContact CD2-CD1 4.19Å; L111-L115 HydrophobicContact CB-CD1 4.41Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 2.83Å; L115-S118 PolarHBondContact O-N 2.77Å; L115-A119 PolarHBondContact O-N 2.91Å; L115-S121 WeakPolarHBondContact O-CB 3.39Å; L115-S121 PolarHBondContact O-OG 3.24Å; L115-V123 HydrophobicContact CD1-CG2 3.94Å; L115-V123 HydrophobicContact CD2-CG2 4.33Å; L115-I177 HydrophobicContact CB-CD1 3.74Å; L115-I177 HydrophobicContact CB-CG1 4.47Å
116K95.6Very high95Very high110 Ų11038.6 Ų38.648%0.47821%0.207SC..Hα-helixtrans-66.9-45175.1-75.3176-176.8-177.30112L112 D113 V114 S118 A119 I177L112-K116 WeakPolarHBondContact O-CB 3.32Å; L112-K116 VanDerWaalsContact O-CG 3.24Å; L112-K116 WeakPolarHBondContact O-CG 3.49Å; L112-K116 PolarHBondContact O-N 2.87Å; D113-K116 PolarHBondContact O-N 3.16Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 2.61Å; K116-S118 PolarHBondContact O-N 3.26Å; K116-A119 WeakPolarHBondContact O-CB 3.5Å; K116-A119 PolarHBondContact O-N 3.26Å; K116-I177 HydrophobicContact CG-CD1 3.75Å
117A94.9Very high94.7Very high81 Ų8137 Ų3767%0.66920%0.201SC*.Hα-helixtrans-62.6-23.5176.300000113.1D113 V114D113-A117 WeakPolarHBondContact O-CB 3.27Å; D113-A117 PolarHBondContact O-N 3.3Å; V114-A117 PolarHBondContact O-N 3.38Å
118S95.3Very high94.2Very high7 Ų737.8 Ų37.85%0.04921%0.208CC..THydrogen-bonded Turntrans-9812.6179.8-49.30000113.8N72 L73 V114 L115 K116 P120N72-S118 VanDerWaalsContact CA-OG 3.25Å; N72-S118 WeakPolarHBondContact CA-OG 3.46Å; L73-S118 PolarHBondContact N-OG 3.44Å; L73-S118 WeakPolarHBondContact O-CB 3.41Å; V114-S118 VanDerWaalsContact O-CB 3.28Å; V114-S118 WeakPolarHBondContact O-CB 3.44Å; V114-S118 PolarHBondContact O-N 3.18Å; V114-S118 PolarHBondContact O-OG 3.23Å; L115-S118 PolarHBondContact O-N 2.77Å; K116-S118 PolarHBondContact O-N 3.26Å; S118-P120 CarbonylContact O-C 3.6Å
119A93.1Very high93.6Very high47 Ų4739.8 Ų39.839%0.38822%0.218SC..  trans-61.9136.6-178.600000111.4L115 K116L115-A119 PolarHBondContact O-N 2.91Å; K116-A119 WeakPolarHBondContact O-CB 3.5Å; K116-A119 PolarHBondContact O-N 3.26Å
120P93.4Very high93.1Very high119 Ų11933.8 Ų33.877%0.77320%0.196SC*.SBendcis-75.7123.33.930.5-34.6000113S118 G176S118-P120 CarbonylContact O-C 3.6Å; P120-G176 WeakPolarHBondContact CA-O 3.35Å
121S94.6Very high92.7Very high0 Ų030.9 Ų30.90%018%0.184CC..EExtended strand (participates in β ladder)trans-129.2168.2-178.469.50000111.6H74 L115 G176 I177 T178H74-S121 CarbonylContact O-C 3.38Å; H74-S121 VanDerWaalsContact O-CA 3.24Å; H74-S121 WeakPolarHBondContact O-CA 3.35Å; L115-S121 WeakPolarHBondContact O-CB 3.39Å; L115-S121 PolarHBondContact O-OG 3.24Å; S121-G176 PolarHBondContact N-O 3.23Å; S121-I177 WeakPolarHBondContact O-CA 3.22Å; S121-T178 PolarHBondContact O-N 3.21Å; S121-T178 PolarHBondContact O-OG1 2.89Å
122R93.7Very high92.1Very high44 Ų4435.1 Ų35.117%0.16620%0.2CC..EExtended strand (participates in β ladder)trans-133.6143.8-170.1-50.9-168.4-175-161.62.1113.3H74 C75 L76 I124 T178 C229 A230 S232H74-R122 PolarHBondContact O-N 3.31Å; C75-R122 CarbonylContact C-O 3.51Å; C75-R122 WeakPolarHBondContact CA-O 3.48Å; C75-R122 HydrophobicContact CB-CB 4.45Å; L76-R122 PolarHBondContact N-O 2.97Å; R122-I124 HydrophobicContact CB-CD1 4.22Å; R122-T178 CarbonylContact C-O 3.5Å; R122-T178 VanDerWaalsContact CA-O 3.29Å; R122-T178 WeakPolarHBondContact CA-O 3.12Å; R122-C229 PolarHBondContact NH1-O 3.03Å; R122-A230 WeakPolarHBondContact CD-O 3.32Å; R122-A230 PolarHBondContact NE-O 3.31Å; R122-A230 PolarHBondContact NH1-O 3.05Å; R122-S232 VanDerWaalsContact CZ-O 3.25Å; R122-S232 PolarHBondContact NH1-O 3.47Å; R122-S232 PolarHBondContact NH2-O 2.85Å
123V96Very high91.7Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-122.1116.4168.2-176.60000109.2L76 L78 V108 L115 V125 L168 I177 T178 V179 S180L76-V123 CarbonylContact O-C 3.52Å; L76-V123 WeakPolarHBondContact O-CA 3.36Å; L78-V123 HydrophobicContact CD1-CG1 3.94Å; L78-V123 HydrophobicContact CG-CG1 4.2Å; V108-V123 HydrophobicContact CG2-CG1 4.29Å; L115-V123 HydrophobicContact CD1-CG2 3.94Å; L115-V123 HydrophobicContact CD2-CG2 4.33Å; V123-V125 HydrophobicContact CG1-CG2 4.38Å; V123-L168 HydrophobicContact CB-CD2 4.44Å; V123-L168 HydrophobicContact CG1-CD2 4.01Å; V123-I177 HydrophobicContact CG2-CG2 4.02Å; V123-T178 PolarHBondContact N-O 2.8Å; V123-V179 HydrophobicContact CB-CG2 4.37Å; V123-V179 WeakPolarHBondContact O-CA 3.42Å; V123-S180 PolarHBondContact O-N 2.94Å
124I93.9Very high91.4Very high0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans-105.7117-178.2-46.4-54.5000109.5L76 I77 L78 R122 S180 A182 T226 C229 A230L76-I124 PolarHBondContact O-N 3.17Å; I77-I124 HydrophobicContact CG1-CB 4.25Å; I77-I124 HydrophobicContact CG1-CG1 4.27Å; I77-I124 HydrophobicContact CG2-CB 4.32Å; L78-I124 PolarHBondContact N-O 3.3Å; R122-I124 HydrophobicContact CB-CD1 4.22Å; I124-S180 CarbonylContact C-O 3.52Å; I124-S180 WeakPolarHBondContact CA-O 3.3Å; I124-A182 HydrophobicContact CG2-CB 4Å; I124-T226 HydrophobicContact CG2-CG2 3.87Å; I124-C229 HydrophobicContact CD1-CB 3.8Å; I124-C229 HydrophobicContact CG1-CB 4.48Å; I124-C229 HydrophobicContact CG2-CB 4Å; I124-A230 HydrophobicContact CG1-CB 4.19Å
125V95Very high90.9Very high0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-101.5115.1-174.3-1760000109.4L78 V123 G127 T161 V179 S180 I181 A182L78-V125 HydrophobicContact CD1-CG2 4.18Å; V123-V125 HydrophobicContact CG1-CG2 4.38Å; V125-G127 PolarHBondContact O-N 3.42Å; V125-T161 HydrophobicContact CG1-CG2 3.6Å; V125-T161 WeakPolarHBondContact CG1-O 3.34Å; V125-V179 HydrophobicContact CG2-CG1 3.98Å; V125-S180 PolarHBondContact N-O 3.38Å; V125-I181 HydrophobicContact CB-CG1 4.18Å; V125-I181 CarbonylContact O-C 2.95Å; V125-I181 WeakPolarHBondContact O-CA 3.34Å; V125-A182 PolarHBondContact O-N 2.78Å
126V91.1Very high90.7Very high4 Ų444.7 Ų44.72%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-89.1102.7-174.9-175.40000111.6I77 L78 N79 K158 P184 T226I77-V126 HydrophobicContact CG2-CG2 4.28Å; L78-V126 WeakPolarHBondContact O-CB 3.25Å; L78-V126 PolarHBondContact O-N 2.96Å; N79-V126 HydrophobicContact CB-CG2 3.9Å; V126-K158 PolarHBondContact O-NZ 3.34Å; V126-P184 HydrophobicContact CG1-CG 4.26Å; V126-T226 HydrophobicContact CG2-CG2 4.11Å
127G88.8Confident90.6Very high2 Ų240.1 Ų40.12%0.02125%0.246CC..  trans-81.2-174176.500000113.8V125 A182 P184V125-G127 PolarHBondContact O-N 3.42Å; G127-A182 PolarHBondContact N-O 3.04Å; G127-P184 WeakPolarHBondContact O-CD 3.39Å
128S86.2Confident90.4Very high24 Ų2439.7 Ų39.717%0.16823%0.233CC..  trans-153.9140.3172.9-177.80000110.4I130 H131 H183S128-I130 PolarHBondContact O-N 2.83Å; S128-I130 VanDerWaalsContact O-N 3.07Å; S128-I130 WeakPolarHBondContact OG-CG2 3.39Å; S128-H131 WeakPolarHBondContact O-CB 3.29Å; S128-H131 PolarHBondContact O-N 3.37Å; S128-H131 VanDerWaalsContact O-N 3.11Å; S128-H131 PolarHBondContact O-ND1 2.86Å; S128-H183 VanDerWaalsContact CA-CD2 3.48Å; S128-H183 WeakPolarHBondContact CA-CD2 3.39Å
129D84.2Confident90.3Very high44 Ų4441 Ų4124%0.23524%0.237CC..G310 helixtrans-57.4-19.3177.1-92.9-21.6000114.4H131 R132 H183D129-H131 PolarHBondContact O-N 3.49Å; D129-H131 VanDerWaalsContact O-N 3.09Å; D129-R132 VanDerWaalsContact O-CB 3.27Å; D129-R132 WeakPolarHBondContact O-CB 3.41Å; D129-R132 WeakPolarHBondContact O-CG 3.4Å; D129-R132 PolarHBondContact O-N 2.83Å; D129-R132 IonicContact OD1-CZ 2.9Å; D129-R132 VanDerWaalsContact OD1-CZ 3.24Å; D129-R132 IonicContact OD1-NE 3.23Å; D129-R132 PolarHBondContact OD1-NE 2.94Å; D129-R132 IonicContact OD1-NH2 3.38Å; D129-R132 PolarHBondContact OD1-NH2 2.87Å; D129-H183 PolarHBondContact N-CD2 3.33Å; D129-H183 PolarHBondContact N-NE2 3.05Å; D129-H183 IonicContact OD1-CE1 2.71Å; D129-H183 IonicContact OD1-ND1 2.64Å; D129-H183 IonicContact OD2-CE1 3.7Å; D129-H183 PolarHBondContact OD2-CE1 3.11Å; D129-H183 IonicContact OD2-ND1 3.4Å; D129-H183 IonicContact OD2-NE2 3.73Å
130I85Confident90.1Very high32 Ų3245.9 Ų45.916%0.16426%0.257CS..G310 helixtrans-61.3-18.1175-164.1167.8000113S128 R132 L133 Y134 W151 Y154 K158S128-I130 PolarHBondContact O-N 2.83Å; S128-I130 VanDerWaalsContact O-N 3.07Å; S128-I130 WeakPolarHBondContact OG-CG2 3.39Å; I130-R132 PolarHBondContact O-N 2.96Å; I130-L133 HydrophobicContact CG1-CD1 3.82Å; I130-L133 HydrophobicContact CG1-CG 4.48Å; I130-L133 PolarHBondContact O-N 2.87Å; I130-Y134 WeakPolarHBondContact O-CD2 3.39Å; I130-Y134 WeakPolarHBondContact O-CE2 3.39Å; I130-W151 HydrophobicContact CD1-CD2 4.45Å; I130-W151 HydrophobicContact CD1-CE3 3.47Å; I130-W151 VanDerWaalsContact CD1-CE3 3.47Å; I130-W151 HydrophobicContact CD1-CZ3 3.92Å; I130-Y154 HydrophobicContact CD1-CD1 4.36Å; I130-Y154 HydrophobicContact CG2-CD1 3.82Å; I130-Y154 HydrophobicContact CG2-CE1 3.86Å; I130-K158 HydrophobicContact CG2-CB 4.49Å
131H85.5Confident90Very high0 Ų041.4 Ų41.40%023%0.226CC..G310 helixtrans-58.4-27.5168.183.4-85.2000113S128 D129 L133 Y134 L159 I162 P270S128-H131 WeakPolarHBondContact O-CB 3.29Å; S128-H131 PolarHBondContact O-N 3.37Å; S128-H131 VanDerWaalsContact O-N 3.11Å; S128-H131 PolarHBondContact O-ND1 2.86Å; D129-H131 PolarHBondContact O-N 3.49Å; D129-H131 VanDerWaalsContact O-N 3.09Å; H131-L133 PolarHBondContact O-N 2.98Å; H131-Y134 PolarHBondContact O-N 3.41Å; H131-Y134 VanDerWaalsContact O-N 3.16Å; H131-L159 HydrophobicContact CB-CB 4.15Å; H131-I162 HydrophobicContact CB-CD1 3.79Å; H131-I162 VanDerWaalsContact CG-CD1 3.43Å; H131-I162 WeakPolarHBondContact ND1-CD1 3.36Å; H131-P270 WeakPolarHBondContact NE2-CB 3.46Å
132R86Confident89.8Confident90 Ų9042 Ų4234%0.3423%0.23SC..G310 helixtrans-66.3-17.7-177.1-61.1-172.5-162.7-124.611.5112.7D129 I130 Y134 E244 N271D129-R132 VanDerWaalsContact O-CB 3.27Å; D129-R132 WeakPolarHBondContact O-CB 3.41Å; D129-R132 WeakPolarHBondContact O-CG 3.4Å; D129-R132 PolarHBondContact O-N 2.83Å; D129-R132 IonicContact OD1-CZ 2.9Å; D129-R132 VanDerWaalsContact OD1-CZ 3.24Å; D129-R132 IonicContact OD1-NE 3.23Å; D129-R132 PolarHBondContact OD1-NE 2.94Å; D129-R132 IonicContact OD1-NH2 3.38Å; D129-R132 PolarHBondContact OD1-NH2 2.87Å; I130-R132 PolarHBondContact O-N 2.96Å; R132-Y134 PolarHBondContact O-N 2.82Å; R132-E244 IonicContact NH2-OE2 3.81Å; R132-E244 PolarHBondContact NH2-OE2 2.83Å; R132-N271 WeakPolarHBondContact CA-ND2 3.45Å; R132-N271 PolarHBondContact O-ND2 3.18Å
133L85.3Confident89.6Confident139 Ų13941.6 Ų41.673%0.72823%0.23SC*.G310 helixtrans-73.9-5.5176.1-56.8-178.1000113.9I130 H131I130-L133 HydrophobicContact CG1-CD1 3.82Å; I130-L133 HydrophobicContact CG1-CG 4.48Å; I130-L133 PolarHBondContact O-N 2.87Å; H131-L133 PolarHBondContact O-N 2.98Å
134Y88.1Confident89.2Confident38 Ų3842.5 Ų42.515%0.14924%0.235CC..  trans-114.8131-173.9-61-97000110.9I130 H131 R132 R152 G155 H156 N271 A273I130-Y134 WeakPolarHBondContact O-CD2 3.39Å; I130-Y134 WeakPolarHBondContact O-CE2 3.39Å; H131-Y134 PolarHBondContact O-N 3.41Å; H131-Y134 VanDerWaalsContact O-N 3.16Å; R132-Y134 PolarHBondContact O-N 2.82Å; Y134-R152 HydrophobicContact CE1-CG 4.43Å; Y134-R152 WeakPolarHBondContact OH-CA 3.24Å; Y134-R152 PolarHBondContact OH-O 2.92Å; Y134-G155 VanDerWaalsContact CE2-CA 3.44Å; Y134-H156 HydrophobicContact CD1-CB 4.25Å; Y134-H156 HydrophobicContact CE1-CB 3.89Å; Y134-N271 PolarHBondContact O-ND2 2.82Å; Y134-A273 VanDerWaalsContact O-CB 3.27Å; Y134-A273 WeakPolarHBondContact O-CB 3.32Å
135S87.7Confident88.7Confident125 Ų12549 Ų4987%0.87427%0.265SS*.SBendtrans-81.9-14.3175.248.80000113.9A273S135-A273 VanDerWaalsContact O-CB 3.31Å; S135-A273 WeakPolarHBondContact O-CB 3.45Å
136G92.3Very high87.9Confident32 Ų3255.8 Ų55.833%0.3330%0.297SS..SBendtrans-175.8173.3179.500000112L159G136-L159 WeakPolarHBondContact O-CD2 3.34Å
137V93.3Very high87.4Confident15 Ų1561.6 Ų61.69%0.09133%0.327CS..  trans-79127.3168.2175.40000108.2F139 L142 L159 L163V137-F139 HydrophobicContact CB-CD2 4.24Å; V137-F139 HydrophobicContact CB-CE1 4.35Å; V137-F139 HydrophobicContact CB-CE2 3.82Å; V137-F139 HydrophobicContact CB-CZ 3.88Å; V137-F139 HydrophobicContact CG1-CD1 4.04Å; V137-F139 HydrophobicContact CG1-CD2 4.3Å; V137-F139 HydrophobicContact CG1-CE1 3.88Å; V137-F139 HydrophobicContact CG1-CE2 4.15Å; V137-F139 HydrophobicContact CG1-CG 4.24Å; V137-F139 HydrophobicContact CG1-CZ 3.94Å; V137-F139 WeakPolarHBondContact O-CD2 3.24Å; V137-F139 PolarHBondContact O-N 3.22Å; V137-F139 VanDerWaalsContact O-N 3.09Å; V137-L142 HydrophobicContact CG1-CD2 3.57Å; V137-L159 HydrophobicContact CG2-CD2 3.96Å; V137-L159 HydrophobicContact CG2-CG 4.15Å; V137-L163 HydrophobicContact CG2-CD1 3.38Å
138N91.1Very high87.4Confident72 Ų7264 Ų6439%0.38534%0.336SS..  trans-72.499.9166.8-173.811.8000108.6D140 D141 L142 H156N138-D140 PolarHBondContact OD1-N 2.85Å; N138-D141 PolarHBondContact ND2-O 3.08Å; N138-D141 CarbonylContact O-C 3.4Å; N138-D141 PolarHBondContact OD1-N 2.88Å; N138-L142 WeakPolarHBondContact O-CD2 3.35Å; N138-L142 PolarHBondContact O-N 3.42Å; N138-H156 PolarHBondContact N-NE2 2.88Å
139F92.4Very high87.5Confident34 Ų3463.9 Ų63.915%0.14934%0.339CS..SBendtrans-81.2-21.5178.9-74.6-71.7000113.2V137 A279 R282 L283 I286V137-F139 HydrophobicContact CB-CD2 4.24Å; V137-F139 HydrophobicContact CB-CE1 4.35Å; V137-F139 HydrophobicContact CB-CE2 3.82Å; V137-F139 HydrophobicContact CB-CZ 3.88Å; V137-F139 HydrophobicContact CG1-CD1 4.04Å; V137-F139 HydrophobicContact CG1-CD2 4.3Å; V137-F139 HydrophobicContact CG1-CE1 3.88Å; V137-F139 HydrophobicContact CG1-CE2 4.15Å; V137-F139 HydrophobicContact CG1-CG 4.24Å; V137-F139 HydrophobicContact CG1-CZ 3.94Å; V137-F139 WeakPolarHBondContact O-CD2 3.24Å; V137-F139 PolarHBondContact O-N 3.22Å; V137-F139 VanDerWaalsContact O-N 3.09Å; F139-A279 HydrophobicContact CE2-CB 4Å; F139-A279 HydrophobicContact CZ-CB 4Å; F139-R282 HydrophobicContact CD1-CG 4.06Å; F139-R282 HydrophobicContact CE1-CB 4.04Å; F139-R282 HydrophobicContact CE1-CG 3.72Å; F139-R282 HydrophobicContact CZ-CB 3.93Å; F139-R282 HydrophobicContact CZ-CG 3.98Å; F139-L283 HydrophobicContact CE1-CB 3.99Å; F139-L283 HydrophobicContact CZ-CB 4.27Å; F139-I286 HydrophobicContact CD1-CD1 3.76Å; F139-I286 HydrophobicContact CE1-CD1 4.24Å
140D88.9Confident87.6Confident149 Ų14962.9 Ų62.980%0.79734%0.336SS*.SBendtrans-83.5-23.7-176.5-50.8-38.4000111N138N138-D140 PolarHBondContact OD1-N 2.85Å
141D90.2Very high87.7Confident25 Ų2567 Ų6713%0.13435%0.35CS..  trans-141.183.7166.3-18016000110.9N138 M143 M144 E145 E146N138-D141 PolarHBondContact ND2-O 3.08Å; N138-D141 CarbonylContact O-C 3.4Å; N138-D141 PolarHBondContact OD1-N 2.88Å; D141-M143 VanDerWaalsContact C-N 3.26Å; D141-M143 PolarHBondContact OD1-N 3.22Å; D141-M144 WeakPolarHBondContact OD1-CA 3.41Å; D141-M144 PolarHBondContact OD1-N 2.99Å; D141-M144 VanDerWaalsContact OD2-CA 3.24Å; D141-M144 WeakPolarHBondContact OD2-CA 3.34Å; D141-E145 VanDerWaalsContact CG-N 3.32Å; D141-E145 PolarHBondContact OD1-N 3.13Å; D141-E145 PolarHBondContact OD2-N 2.73Å; D141-E146 PolarHBondContact OD2-N 3.41Å
142L90.8Very high87.9Confident14 Ų1473 Ų737%0.07337%0.373CS..THydrogen-bonded Turntrans-70.8-21.4172.1-76.6170.3000112.9F97 V137 N138 L283 I286 M290F97-L142 HydrophobicContact CE1-CB 4.36Å; F97-L142 HydrophobicContact CE2-CD2 4.48Å; F97-L142 HydrophobicContact CZ-CB 4.42Å; F97-L142 HydrophobicContact CZ-CD2 4.27Å; V137-L142 HydrophobicContact CG1-CD2 3.57Å; N138-L142 WeakPolarHBondContact O-CD2 3.35Å; N138-L142 PolarHBondContact O-N 3.42Å; L142-L283 HydrophobicContact CD2-CD1 4.18Å; L142-I286 HydrophobicContact CD1-CG2 3.69Å; L142-M290 HydrophobicContact CD1-SD 4.34Å
143M89.2Confident88.2Confident34 Ų3468.9 Ų68.917%0.16736%0.358CS..THydrogen-bonded Turntrans-97.2-1.1-170.4-54.4-54.6-90.400112.7R86 F93 E94 F97 D141 E145 M290R86-M143 PolarHBondContact NH2-O 3.33Å; F93-M143 VanDerWaalsContact CA-CE 3.43Å; F93-M143 HydrophobicContact CB-CE 3.74Å; F93-M143 HydrophobicContact CD1-CE 3.7Å; F93-M143 HydrophobicContact CG-CE 4.19Å; E94-M143 WeakPolarHBondContact CB-O 3.36Å; E94-M143 WeakPolarHBondContact CG-O 3.43Å; F97-M143 HydrophobicContact CD1-SD 3.9Å; F97-M143 HydrophobicContact CE1-SD 4.21Å; D141-M143 VanDerWaalsContact C-N 3.26Å; D141-M143 PolarHBondContact OD1-N 3.22Å; M143-E145 HydrophobicContact CB-CG 3.83Å; M143-E145 PolarHBondContact O-N 3.36Å; M143-M290 HydrophobicContact CE-CE 3.85Å; M143-M290 HydrophobicContact SD-CE 3.45Å; M143-M290 WeakPolarHBondContact SD-CE 3.49Å
144M88.3Confident88.5Confident20 Ų2063 Ų6310%0.09933%0.326CS..  trans43.750.8-173.6-156.6169.7-6700111.1R86 D141 E146 Y148 R152 A153 H156R86-M144 PolarHBondContact NE-O 2.99Å; R86-M144 VanDerWaalsContact NE-O 3.08Å; D141-M144 WeakPolarHBondContact OD1-CA 3.41Å; D141-M144 PolarHBondContact OD1-N 2.99Å; D141-M144 VanDerWaalsContact OD2-CA 3.24Å; D141-M144 WeakPolarHBondContact OD2-CA 3.34Å; M144-E146 VanDerWaalsContact C-N 3.26Å; M144-Y148 HydrophobicContact CB-CD2 3.96Å; M144-Y148 HydrophobicContact CG-CD2 4.03Å; M144-Y148 HydrophobicContact SD-CD2 4.16Å; M144-R152 HydrophobicContact CE-CB 4.2Å; M144-R152 HydrophobicContact SD-CB 3.97Å; M144-A153 HydrophobicContact CE-CB 4.32Å; M144-A153 HydrophobicContact SD-CB 3.99Å; M144-H156 HydrophobicContact CE-CB 4.3Å
145E83.3Confident88.6Confident137 Ų13761.1 Ų61.164%0.6432%0.319SS*.  trans-62.4-39.3172.3-54.3-119.210800110R86 D141 M143R86-E145 IonicContact CZ-OE1 2.66Å; R86-E145 IonicContact NH2-OE1 2.94Å; R86-E145 PolarHBondContact NH2-OE1 2.85Å; D141-E145 VanDerWaalsContact CG-N 3.32Å; D141-E145 PolarHBondContact OD1-N 3.13Å; D141-E145 PolarHBondContact OD2-N 2.73Å; M143-E145 HydrophobicContact CB-CG 3.83Å; M143-E145 PolarHBondContact O-N 3.36Å
146E78.1Confident88.9Confident142 Ų14255.6 Ų55.666%0.66428%0.279SS*.SBendtrans-96.7141.6175.9-63.4-155.6170.800112.6D141 M144 Y148D141-E146 PolarHBondContact OD2-N 3.41Å; M144-E146 VanDerWaalsContact C-N 3.26Å; E146-Y148 VanDerWaalsContact C-N 3.26Å; E146-Y148 PolarHBondContact O-N 3.01Å; E146-Y148 VanDerWaalsContact O-N 3.11Å
147N80.8Confident89Confident125 Ų12554 Ų5467%0.66826%0.263SS*.SBendtrans54.631.8169.4-65.9-68.6000115.5G149 R152N147-G149 PolarHBondContact O-N 3.43Å; N147-R152 VanDerWaalsContact O-CZ 3.25Å; N147-R152 PolarHBondContact O-NH1 3.36Å; N147-R152 PolarHBondContact O-NH2 2.98Å; N147-R152 VanDerWaalsContact O-NH2 3.16Å
148Y89.7Confident89.1Confident53 Ų5353.5 Ų53.521%0.20826%0.26CS..  trans-48.1138-177-172.9-87.6000114.3G84 R86 E94 T96 M144 E146 A150 A153G84-Y148 PolarHBondContact O-OH 3.17Å; R86-Y148 HydrophobicContact CB-CD1 3.75Å; R86-Y148 HydrophobicContact CB-CD2 3.7Å; R86-Y148 HydrophobicContact CB-CE1 3.82Å; R86-Y148 HydrophobicContact CB-CE2 3.76Å; R86-Y148 HydrophobicContact CB-CG 3.7Å; R86-Y148 HydrophobicContact CG-CD2 3.64Å; R86-Y148 HydrophobicContact CG-CE2 3.81Å; R86-Y148 HydrophobicContact CG-CG 4.07Å; R86-Y148 VanDerWaalsContact N-CE1 3.27Å; E94-Y148 HydrophobicContact CG-CE2 3.92Å; E94-Y148 WeakPolarHBondContact OE1-CE2 3.48Å; E94-Y148 PolarHBondContact OE1-OH 3.43Å; T96-Y148 PolarHBondContact OG1-OH 3.43Å; M144-Y148 HydrophobicContact CB-CD2 3.96Å; M144-Y148 HydrophobicContact CG-CD2 4.03Å; M144-Y148 HydrophobicContact SD-CD2 4.16Å; E146-Y148 VanDerWaalsContact C-N 3.26Å; E146-Y148 PolarHBondContact O-N 3.01Å; E146-Y148 VanDerWaalsContact O-N 3.11Å; Y148-A150 HydrophobicContact CE1-CB 4.43Å; Y148-A153 HydrophobicContact CD2-CB 4.25Å; Y148-A153 HydrophobicContact CE2-CB 3.45Å; Y148-A153 VanDerWaalsContact CE2-CB 3.45Å
149G87.5Confident89.2Confident21 Ų2150 Ų5022%0.21624%0.241CC..  trans-148.3134.1164.200000110.1N147 W151 R152 A153N147-G149 PolarHBondContact O-N 3.43Å; G149-W151 VanDerWaalsContact C-N 3.33Å; G149-W151 PolarHBondContact O-N 2.96Å; G149-R152 CarbonylContact O-C 3.45Å; G149-R152 VanDerWaalsContact O-CA 3.28Å; G149-R152 WeakPolarHBondContact O-CA 3.39Å; G149-R152 WeakPolarHBondContact O-CB 3.49Å; G149-R152 PolarHBondContact O-N 3.48Å; G149-A153 PolarHBondContact O-N 2.93Å
150A86.1Confident89.4Confident23 Ų2348.4 Ų48.419%0.1923%0.234CC..Hα-helixtrans-53.2-44.7-171.700000114W83 G84 Y148 R152 Y154W83-A150 HydrophobicContact CD2-CB 4.43Å; W83-A150 HydrophobicContact CZ2-CB 3.86Å; G84-A150 WeakPolarHBondContact O-CB 3.28Å; Y148-A150 HydrophobicContact CE1-CB 4.43Å; A150-R152 VanDerWaalsContact C-N 3.3Å; A150-R152 PolarHBondContact O-N 2.89Å; A150-Y154 VanDerWaalsContact O-CB 3.3Å; A150-Y154 WeakPolarHBondContact O-CB 3.46Å; A150-Y154 PolarHBondContact O-N 2.67Å
151W86.4Confident89.7Confident120 Ų12041.4 Ų41.446%0.45520%0.197SC..Hα-helixtrans-67-30.1173.7-77120.1000113.6W83 I130 G149 Y154 G155 M193W83-W151 AromaticContact CE2-CE2 3.98Å; W83-W151 HydrophobicContact CZ2-CD2 4.37Å; W83-W151 AromaticContact CZ2-CE2 3.93Å; W83-W151 HydrophobicContact CZ2-CG 4.48Å; W83-W151 HydrophobicContact CZ2-CZ2 4.39Å; W83-W151 AromaticContact CZ2-NE1 3.73Å; W83-W151 AromaticContact NE1-CD2 3.38Å; W83-W151 AromaticContact NE1-CE2 3.74Å; W83-W151 AromaticContact NE1-CE3 3.59Å; W83-W151 AromaticContact NE1-CG 3.71Å; I130-W151 HydrophobicContact CD1-CD2 4.45Å; I130-W151 HydrophobicContact CD1-CE3 3.47Å; I130-W151 VanDerWaalsContact CD1-CE3 3.47Å; I130-W151 HydrophobicContact CD1-CZ3 3.92Å; G149-W151 VanDerWaalsContact C-N 3.33Å; G149-W151 PolarHBondContact O-N 2.96Å; W151-Y154 HydrophobicContact CE3-CD1 4.4Å; W151-Y154 HydrophobicContact CZ3-CD1 4.31Å; W151-G155 PolarHBondContact O-N 2.95Å; W151-M193 HydrophobicContact CH2-CG 4.35Å; W151-M193 HydrophobicContact CH2-SD 4.38Å; W151-M193 HydrophobicContact CZ2-CE 4.23Å; W151-M193 HydrophobicContact CZ2-CG 4.33Å; W151-M193 HydrophobicContact CZ2-SD 4.27Å
152R90.2Very high89.9Confident125 Ų12540.2 Ų40.247%0.47219%0.19SC..Hα-helixtrans-73.6-46.3178.5-125-172.4-60.1134.49.7111.6Y134 M144 N147 G149 A150 G155 H156Y134-R152 HydrophobicContact CE1-CG 4.43Å; Y134-R152 WeakPolarHBondContact OH-CA 3.24Å; Y134-R152 PolarHBondContact OH-O 2.92Å; M144-R152 HydrophobicContact CE-CB 4.2Å; M144-R152 HydrophobicContact SD-CB 3.97Å; N147-R152 VanDerWaalsContact O-CZ 3.25Å; N147-R152 PolarHBondContact O-NH1 3.36Å; N147-R152 PolarHBondContact O-NH2 2.98Å; N147-R152 VanDerWaalsContact O-NH2 3.16Å; G149-R152 CarbonylContact O-C 3.45Å; G149-R152 VanDerWaalsContact O-CA 3.28Å; G149-R152 WeakPolarHBondContact O-CA 3.39Å; G149-R152 WeakPolarHBondContact O-CB 3.49Å; G149-R152 PolarHBondContact O-N 3.48Å; A150-R152 VanDerWaalsContact C-N 3.3Å; A150-R152 PolarHBondContact O-N 2.89Å; R152-G155 PolarHBondContact O-N 2.96Å; R152-H156 WeakPolarHBondContact O-CB 3.25Å; R152-H156 PolarHBondContact O-N 2.87Å
153A91.8Very high90.1Very high3 Ų339.6 Ų39.63%0.02519%0.187CC..Hα-helixtrans-60.8-44.6172.600000111.4T96 M144 Y148 G149 S157T96-A153 HydrophobicContact CG2-CB 4.23Å; M144-A153 HydrophobicContact CE-CB 4.32Å; M144-A153 HydrophobicContact SD-CB 3.99Å; Y148-A153 HydrophobicContact CD2-CB 4.25Å; Y148-A153 HydrophobicContact CE2-CB 3.45Å; Y148-A153 VanDerWaalsContact CE2-CB 3.45Å; G149-A153 PolarHBondContact O-N 2.93Å; A153-S157 VanDerWaalsContact O-CB 3.25Å; A153-S157 WeakPolarHBondContact O-CB 3.5Å; A153-S157 PolarHBondContact O-N 3.44Å; A153-S157 PolarHBondContact O-OG 3.03Å
154Y91.8Very high90.5Very high15 Ų1538.2 Ų38.26%0.05918%0.18CC..Hα-helixtrans-63.8-45.7178.5-175-98.9000113.3A81 Y82 W83 T96 I130 A150 W151 S157 K158 L192A81-Y154 HydrophobicContact CB-CE2 4.11Å; Y82-Y154 WeakPolarHBondContact O-CD2 3.5Å; Y82-Y154 WeakPolarHBondContact O-CE2 3.31Å; W83-Y154 HydrophobicContact CB-CD2 3.98Å; W83-Y154 HydrophobicContact CB-CE2 4.45Å; W83-Y154 HydrophobicContact CB-CG 4.49Å; W83-Y154 AromaticContact CD1-CG 3.92Å; T96-Y154 HydrophobicContact CG2-CD2 4.31Å; I130-Y154 HydrophobicContact CD1-CD1 4.36Å; I130-Y154 HydrophobicContact CG2-CD1 3.82Å; I130-Y154 HydrophobicContact CG2-CE1 3.86Å; A150-Y154 VanDerWaalsContact O-CB 3.3Å; A150-Y154 WeakPolarHBondContact O-CB 3.46Å; A150-Y154 PolarHBondContact O-N 2.67Å; W151-Y154 HydrophobicContact CE3-CD1 4.4Å; W151-Y154 HydrophobicContact CZ3-CD1 4.31Å; Y154-S157 PolarHBondContact O-N 2.62Å; Y154-S157 PolarHBondContact O-OG 2.81Å; Y154-K158 HydrophobicContact CD1-CG 4.42Å; Y154-K158 HydrophobicContact CE1-CG 4.02Å; Y154-K158 HydrophobicContact CE2-CG 4.42Å; Y154-K158 WeakPolarHBondContact O-CG 3.31Å; Y154-K158 PolarHBondContact O-N 2.83Å; Y154-L192 HydrophobicContact CE1-CD2 4.33Å; Y154-L192 HydrophobicContact CE2-CD1 4.16Å; Y154-L192 HydrophobicContact CE2-CD2 4.02Å; Y154-L192 WeakPolarHBondContact OH-CD2 3.17Å
155G91.1Very high90.8Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-63.7-44.4178.300000113.6Y134 W151 R152 K158 L159Y134-G155 VanDerWaalsContact CE2-CA 3.44Å; W151-G155 PolarHBondContact O-N 2.95Å; R152-G155 PolarHBondContact O-N 2.96Å; G155-K158 PolarHBondContact O-N 3.46Å; G155-L159 PolarHBondContact O-N 3.18Å
156H94.3Very high91.3Very high8 Ų833.3 Ų33.34%0.03716%0.155CC..Hα-helixtrans-61.8-47.6172.8174-79000111.2Y134 N138 M144 R152 K158 L159 C160Y134-H156 HydrophobicContact CD1-CB 4.25Å; Y134-H156 HydrophobicContact CE1-CB 3.89Å; N138-H156 PolarHBondContact N-NE2 2.88Å; M144-H156 HydrophobicContact CE-CB 4.3Å; R152-H156 WeakPolarHBondContact O-CB 3.25Å; R152-H156 PolarHBondContact O-N 2.87Å; H156-K158 PolarHBondContact O-N 2.88Å; H156-L159 WeakPolarHBondContact O-CB 3.36Å; H156-L159 PolarHBondContact O-N 3.4Å; H156-C160 PolarHBondContact O-N 3.28Å; H156-C160 PolarHBondContact O-SG 3.24Å; H156-C160 VanDerWaalsContact O-SG 3.42Å
157S94.8Very high92.2Very high0 Ų027.2 Ų27.20%013%0.126CC..Hα-helixtrans-57.2-3617779.30000112.3N100 A153 Y154 C160 T161N100-S157 PolarHBondContact ND2-OG 2.74Å; A153-S157 VanDerWaalsContact O-CB 3.25Å; A153-S157 WeakPolarHBondContact O-CB 3.5Å; A153-S157 PolarHBondContact O-N 3.44Å; A153-S157 PolarHBondContact O-OG 3.03Å; Y154-S157 PolarHBondContact O-N 2.62Å; Y154-S157 PolarHBondContact O-OG 2.81Å; S157-C160 WeakPolarHBondContact O-CB 3.27Å; S157-C160 PolarHBondContact O-N 3.04Å; S157-T161 PolarHBondContact O-N 2.76Å; S157-T161 PolarHBondContact O-OG1 2.71Å
158K93.8Very high92.9Very high3 Ų321.4 Ų21.41%0.01310%0.095CC..Hα-helixtrans-76.9-27.4177.7-74.2-66.4176-165.90114V126 I130 Y154 G155 H156 I162V126-K158 PolarHBondContact O-NZ 3.34Å; I130-K158 HydrophobicContact CG2-CB 4.49Å; Y154-K158 HydrophobicContact CD1-CG 4.42Å; Y154-K158 HydrophobicContact CE1-CG 4.02Å; Y154-K158 HydrophobicContact CE2-CG 4.42Å; Y154-K158 WeakPolarHBondContact O-CG 3.31Å; Y154-K158 PolarHBondContact O-N 2.83Å; G155-K158 PolarHBondContact O-N 3.46Å; H156-K158 PolarHBondContact O-N 2.88Å; K158-I162 WeakPolarHBondContact O-CD1 3.31Å; K158-I162 VanDerWaalsContact O-CG1 3.25Å; K158-I162 WeakPolarHBondContact O-CG1 3.41Å; K158-I162 PolarHBondContact O-N 3.02Å
159L94.9Very high93.2Very high0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-63.2-47.7164.1174.261.9000110.1H131 G136 V137 G155 H156 T161 I162 L163 A273 A274H131-L159 HydrophobicContact CB-CB 4.15Å; G136-L159 WeakPolarHBondContact O-CD2 3.34Å; V137-L159 HydrophobicContact CG2-CD2 3.96Å; V137-L159 HydrophobicContact CG2-CG 4.15Å; G155-L159 PolarHBondContact O-N 3.18Å; H156-L159 WeakPolarHBondContact O-CB 3.36Å; H156-L159 PolarHBondContact O-N 3.4Å; L159-T161 PolarHBondContact O-N 2.94Å; L159-I162 PolarHBondContact O-N 3.02Å; L159-I162 VanDerWaalsContact O-N 3.15Å; L159-L163 HydrophobicContact CD1-CD1 4.01Å; L159-L163 HydrophobicContact CD1-CG 4.27Å; L159-L163 HydrophobicContact CG-CD1 4Å; L159-L163 PolarHBondContact O-N 2.94Å; L159-A273 HydrophobicContact CD1-CB 4.1Å; L159-A273 HydrophobicContact CD2-CB 4.15Å; L159-A274 HydrophobicContact CD1-CB 3.66Å
160C96.2Very high93.6Very high0 Ų022.7 Ų22.70%010%0.096CC..Hα-helixtrans-58.5-45.8177.4-65.90000112.2F97 H101 H156 S157 I162 L163 F164 L283F97-C160 HydrophobicContact CE2-CB 4.08Å; H101-C160 HydrophobicContact CB-CB 4.39Å; H101-C160 PolarHBondContact ND1-O 3.4Å; H156-C160 PolarHBondContact O-N 3.28Å; H156-C160 PolarHBondContact O-SG 3.24Å; H156-C160 VanDerWaalsContact O-SG 3.42Å; S157-C160 WeakPolarHBondContact O-CB 3.27Å; S157-C160 PolarHBondContact O-N 3.04Å; C160-I162 VanDerWaalsContact C-N 3.29Å; C160-I162 PolarHBondContact O-N 2.87Å; C160-L163 PolarHBondContact O-N 3.11Å; C160-F164 WeakPolarHBondContact O-CB 3.44Å; C160-F164 PolarHBondContact O-N 3.07Å; C160-L283 HydrophobicContact CB-CD1 4.47Å; C160-L283 HydrophobicContact CB-CD2 3.74Å
161T94.7Very high94Very high2 Ų226.8 Ų26.81%0.01211%0.107CC..Hα-helixtrans-58-38.6175.5-44.40000112.5N100 V125 S157 L159 G165N100-T161 PolarHBondContact O-OG1 2.87Å; V125-T161 HydrophobicContact CG1-CG2 3.6Å; V125-T161 WeakPolarHBondContact CG1-O 3.34Å; S157-T161 PolarHBondContact O-N 2.76Å; S157-T161 PolarHBondContact O-OG1 2.71Å; L159-T161 PolarHBondContact O-N 2.94Å; T161-G165 PolarHBondContact O-N 3.09Å
162I94.3Very high94.4Very high0 Ų021.4 Ų21.40%09%0.087CC..Hα-helixtrans-70.6-44.6179.4-68.8163.6000110.8H131 K158 L159 C160 G165 R166 I181 Y242 A274H131-I162 HydrophobicContact CB-CD1 3.79Å; H131-I162 VanDerWaalsContact CG-CD1 3.43Å; H131-I162 WeakPolarHBondContact ND1-CD1 3.36Å; K158-I162 WeakPolarHBondContact O-CD1 3.31Å; K158-I162 VanDerWaalsContact O-CG1 3.25Å; K158-I162 WeakPolarHBondContact O-CG1 3.41Å; K158-I162 PolarHBondContact O-N 3.02Å; L159-I162 PolarHBondContact O-N 3.02Å; L159-I162 VanDerWaalsContact O-N 3.15Å; C160-I162 VanDerWaalsContact C-N 3.29Å; C160-I162 PolarHBondContact O-N 2.87Å; I162-G165 PolarHBondContact O-N 3.31Å; I162-R166 PolarHBondContact O-N 3.43Å; I162-R166 VanDerWaalsContact O-N 3.09Å; I162-I181 HydrophobicContact CG1-CG2 4.04Å; I162-I181 HydrophobicContact CG2-CD1 4.37Å; I162-I181 HydrophobicContact CG2-CG2 4.38Å; I162-Y242 HydrophobicContact CD1-CE2 4.01Å; I162-Y242 HydrophobicContact CG1-CE2 4.36Å; I162-Y242 HydrophobicContact CG2-CD2 4.49Å; I162-A274 HydrophobicContact CG2-CB 3.96Å
163L96Very high94.4Very high0 Ų022.7 Ų22.70%010%0.099CC..Hα-helixtrans-63.7-41.2176.8-73.1169.6000111.8V137 L159 C160 G165 R166 E167 D276 A280 L283V137-L163 HydrophobicContact CG2-CD1 3.38Å; L159-L163 HydrophobicContact CD1-CD1 4.01Å; L159-L163 HydrophobicContact CD1-CG 4.27Å; L159-L163 HydrophobicContact CG-CD1 4Å; L159-L163 PolarHBondContact O-N 2.94Å; C160-L163 PolarHBondContact O-N 3.11Å; L163-G165 VanDerWaalsContact C-N 3.35Å; L163-G165 PolarHBondContact O-N 2.93Å; L163-R166 PolarHBondContact O-N 3.16Å; L163-E167 PolarHBondContact O-N 2.88Å; L163-D276 WeakPolarHBondContact CD2-O 3.39Å; L163-A280 HydrophobicContact CB-CB 4.2Å; L163-A280 HydrophobicContact CD2-CB 3.92Å; L163-L283 HydrophobicContact CB-CD2 3.93Å; L163-L283 HydrophobicContact CD1-CD2 4.44Å
164F96Very high94.4Very high5 Ų526.7 Ų26.72%0.02214%0.14CC..Hα-helixtrans-55.3-47.7169.4164.8-108.7000111.8L78 M105 V108 C160 R166 E167 L168 W284L78-F164 HydrophobicContact CD1-CE1 3.87Å; M105-F164 HydrophobicContact CB-CD2 4.19Å; M105-F164 HydrophobicContact CB-CE2 3.77Å; M105-F164 HydrophobicContact CB-CZ 4.05Å; M105-F164 HydrophobicContact CG-CD2 4.14Å; M105-F164 HydrophobicContact CG-CE2 3.66Å; M105-F164 HydrophobicContact CG-CZ 4.33Å; M105-F164 HydrophobicContact SD-CD2 4.11Å; M105-F164 HydrophobicContact SD-CE2 4.18Å; V108-F164 HydrophobicContact CB-CZ 4.27Å; V108-F164 HydrophobicContact CG1-CZ 4.46Å; V108-F164 HydrophobicContact CG2-CE1 4.49Å; V108-F164 HydrophobicContact CG2-CZ 4.16Å; C160-F164 WeakPolarHBondContact O-CB 3.44Å; C160-F164 PolarHBondContact O-N 3.07Å; F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 2.85Å; F164-E167 PolarHBondContact O-N 3.43Å; F164-L168 HydrophobicContact CE1-CD2 4.21Å; F164-L168 HydrophobicContact CE2-CB 4.38Å; F164-L168 HydrophobicContact CE2-CD1 4.4Å; F164-L168 HydrophobicContact CZ-CB 4.48Å; F164-L168 HydrophobicContact CZ-CD1 4.38Å; F164-L168 HydrophobicContact CZ-CD2 3.91Å; F164-L168 HydrophobicContact CZ-CG 4.49Å; F164-L168 WeakPolarHBondContact O-CB 3.32Å; F164-L168 PolarHBondContact O-N 3.06Å; F164-W284 AromaticContact CD2-CE3 3.98Å; F164-W284 HydrophobicContact CD2-CE3 3.98Å; F164-W284 AromaticContact CD2-CZ3 3.83Å; F164-W284 HydrophobicContact CD2-CZ3 3.83Å; F164-W284 HydrophobicContact CE2-CE3 4.19Å; F164-W284 HydrophobicContact CE2-CH2 4.25Å; F164-W284 AromaticContact CE2-CZ3 3.6Å; F164-W284 HydrophobicContact CE2-CZ3 3.6Å
165G95.2Very high94.4Very high0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-59.8-34.6177.500000113.7T161 I162 L163 A169 V179T161-G165 PolarHBondContact O-N 3.09Å; I162-G165 PolarHBondContact O-N 3.31Å; L163-G165 VanDerWaalsContact C-N 3.35Å; L163-G165 PolarHBondContact O-N 2.93Å; G165-A169 WeakPolarHBondContact O-CB 3.43Å; G165-A169 PolarHBondContact O-N 2.86Å; G165-A169 VanDerWaalsContact O-N 3.16Å; G165-V179 WeakPolarHBondContact O-CG1 3.46Å
166R94.5Very high94.6Very high55 Ų5529.5 Ų29.521%0.20817%0.169CC..Hα-helixtrans-71.1-46.5175.5-69.4-179.258.673.4-1.1112.7I162 L163 F164 A169 K170 I181 A274 D277I162-R166 PolarHBondContact O-N 3.43Å; I162-R166 VanDerWaalsContact O-N 3.09Å; L163-R166 PolarHBondContact O-N 3.16Å; F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 2.85Å; R166-A169 WeakPolarHBondContact O-CB 3.46Å; R166-A169 PolarHBondContact O-N 2.73Å; R166-K170 PolarHBondContact O-N 2.77Å; R166-I181 HydrophobicContact CG-CD1 3.78Å; R166-A274 WeakPolarHBondContact CD-O 3.23Å; R166-D277 IonicContact CZ-OD1 3.74Å; R166-D277 IonicContact NE-OD1 3.96Å; R166-D277 PolarHBondContact NE-OD1 2.92Å; R166-D277 IonicContact NH2-OD1 2.65Å; R166-D277 PolarHBondContact NH2-OD1 2.86Å; R166-D277 IonicContact NH2-OD2 3.27Å
167E96.4Very high94.7Very high14 Ų1429.4 Ų29.47%0.06517%0.168CC..Hα-helixtrans-70-37.2179.9-177.465.8177.700111.5L163 F164 A169 K170 R171 A280 W284L163-E167 PolarHBondContact O-N 2.88Å; F164-E167 PolarHBondContact O-N 3.43Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 3.38Å; E167-K170 PolarHBondContact O-N 3.48Å; E167-R171 HydrophobicContact CG-CG 4.49Å; E167-R171 WeakPolarHBondContact O-CG 3.33Å; E167-R171 PolarHBondContact O-N 2.98Å; E167-R171 IonicContact OE1-CZ 2.86Å; E167-R171 VanDerWaalsContact OE1-CZ 3.27Å; E167-R171 IonicContact OE1-NE 3.35Å; E167-R171 PolarHBondContact OE1-NE 3.13Å; E167-R171 IonicContact OE1-NH2 3.84Å; E167-R171 PolarHBondContact OE1-NH2 3.28Å; E167-A280 HydrophobicContact CB-CB 4.12Å; E167-W284 HydrophobicContact CB-CE3 4.03Å; E167-W284 HydrophobicContact CG-CB 3.78Å; E167-W284 HydrophobicContact CG-CD2 3.93Å; E167-W284 HydrophobicContact CG-CE3 3.66Å; E167-W284 HydrophobicContact CG-CG 3.99Å
168L96.4Very high94.7Very high2 Ų230.4 Ų30.41%0.0117%0.174CC..Hα-helixtrans-57.9-42.5171-173.368.9000111.2V108 V123 F164 K170 R171 L172 V179 W284V108-L168 HydrophobicContact CG1-CD1 3.81Å; V108-L168 HydrophobicContact CG1-CD2 3.93Å; V123-L168 HydrophobicContact CB-CD2 4.44Å; V123-L168 HydrophobicContact CG1-CD2 4.01Å; F164-L168 HydrophobicContact CE1-CD2 4.21Å; F164-L168 HydrophobicContact CE2-CB 4.38Å; F164-L168 HydrophobicContact CE2-CD1 4.4Å; F164-L168 HydrophobicContact CZ-CB 4.48Å; F164-L168 HydrophobicContact CZ-CD1 4.38Å; F164-L168 HydrophobicContact CZ-CD2 3.91Å; F164-L168 HydrophobicContact CZ-CG 4.49Å; F164-L168 WeakPolarHBondContact O-CB 3.32Å; F164-L168 PolarHBondContact O-N 3.06Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 3.01Å; L168-R171 PolarHBondContact O-N 2.77Å; L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4.13Å; L168-L172 HydrophobicContact CD2-CD1 4.46Å; L168-L172 HydrophobicContact CG-CD1 3.87Å; L168-L172 HydrophobicContact CG-CG 4.36Å; L168-L172 WeakPolarHBondContact O-CB 3.03Å; L168-L172 WeakPolarHBondContact O-CG 3.1Å; L168-L172 PolarHBondContact O-N 3.47Å; L168-V179 HydrophobicContact CD2-CG1 4.08Å; L168-V179 HydrophobicContact CD2-CG2 3.99Å; L168-V179 HydrophobicContact CG-CG2 3.97Å; L168-W284 HydrophobicContact CB-CZ3 3.91Å; L168-W284 HydrophobicContact CD1-CH2 3.67Å; L168-W284 HydrophobicContact CD1-CZ3 3.81Å; L168-W284 HydrophobicContact CG-CZ3 4.49Å
169A95.3Very high94.8Very high4 Ų430.3 Ų30.33%0.03317%0.174CC..Hα-helixtrans-59.9-42.5178.300000112.6G165 R166 E167 E173 V179 T239G165-A169 WeakPolarHBondContact O-CB 3.43Å; G165-A169 PolarHBondContact O-N 2.86Å; G165-A169 VanDerWaalsContact O-N 3.16Å; R166-A169 WeakPolarHBondContact O-CB 3.46Å; R166-A169 PolarHBondContact O-N 2.73Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 3.38Å; A169-E173 PolarHBondContact O-N 3.34Å; A169-V179 HydrophobicContact CB-CB 3.9Å; A169-V179 HydrophobicContact CB-CG1 4.47Å; A169-V179 HydrophobicContact CB-CG2 4.32Å; A169-T239 HydrophobicContact CB-CG2 4.27Å; A169-T239 WeakPolarHBondContact CB-OG1 3.13Å
170K95.2Very high94.7Very high97 Ų9730.3 Ų30.342%0.42217%0.174SC..Hα-helixtrans-66.6-47.1175.2-67.3-177.9176.9-173.40111.8R166 E167 L168 L172 E173 D277R166-K170 PolarHBondContact O-N 2.77Å; E167-K170 PolarHBondContact O-N 3.48Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 3.01Å; K170-L172 PolarHBondContact O-N 2.99Å; K170-E173 VanDerWaalsContact O-CB 3.3Å; K170-E173 WeakPolarHBondContact O-CB 3.41Å; K170-E173 PolarHBondContact O-N 2.87Å; K170-E173 VanDerWaalsContact O-N 3.16Å; K170-D277 WeakPolarHBondContact CE-OD2 3.4Å; K170-D277 IonicContact NZ-OD1 2.7Å; K170-D277 IonicContact NZ-OD2 3.79Å; K170-D277 PolarHBondContact NZ-OD2 3Å
171R93.9Very high94.6Very high109 Ų10930.4 Ų30.441%0.41118%0.175SC..Hα-helixtrans-69.3-16.1-178-68.8-176.2-176.7-136.611.4113.9E167 L168 W284 D285E167-R171 HydrophobicContact CG-CG 4.49Å; E167-R171 WeakPolarHBondContact O-CG 3.33Å; E167-R171 PolarHBondContact O-N 2.98Å; E167-R171 IonicContact OE1-CZ 2.86Å; E167-R171 VanDerWaalsContact OE1-CZ 3.27Å; E167-R171 IonicContact OE1-NE 3.35Å; E167-R171 PolarHBondContact OE1-NE 3.13Å; E167-R171 IonicContact OE1-NH2 3.84Å; E167-R171 PolarHBondContact OE1-NH2 3.28Å; L168-R171 PolarHBondContact O-N 2.77Å; R171-W284 VanDerWaalsContact NH1-CD1 3.3Å; R171-W284 VanDerWaalsContact NH1-NE1 3.13Å; R171-D285 IonicContact CZ-OD1 3.13Å; R171-D285 IonicContact NH1-OD1 3.21Å; R171-D285 IonicContact NH2-OD1 2.71Å; R171-D285 PolarHBondContact NH2-OD1 2.9Å
172L94.8Very high94.3Very high7 Ų730.3 Ų30.34%0.03717%0.174CC..THydrogen-bonded Turntrans-103.66.4174.8-66-174.9000113.8L112 L168 K170 G174 S175 I177 V179L112-L172 HydrophobicContact CD1-CD1 4.41Å; L112-L172 HydrophobicContact CD1-CD2 4.15Å; L112-L172 HydrophobicContact CD2-CD2 4.19Å; L112-L172 HydrophobicContact CG-CD2 4.34Å; L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4.13Å; L168-L172 HydrophobicContact CD2-CD1 4.46Å; L168-L172 HydrophobicContact CG-CD1 3.87Å; L168-L172 HydrophobicContact CG-CG 4.36Å; L168-L172 WeakPolarHBondContact O-CB 3.03Å; L168-L172 WeakPolarHBondContact O-CG 3.1Å; L168-L172 PolarHBondContact O-N 3.47Å; K170-L172 PolarHBondContact O-N 2.99Å; L172-G174 PolarHBondContact O-N 2.69Å; L172-S175 VanDerWaalsContact O-CB 3.28Å; L172-S175 WeakPolarHBondContact O-CB 3.33Å; L172-S175 PolarHBondContact O-N 3.27Å; L172-S175 PolarHBondContact O-OG 2.87Å; L172-I177 HydrophobicContact CD1-CB 4.14Å; L172-I177 HydrophobicContact CD1-CD1 4.09Å; L172-I177 HydrophobicContact CD1-CG2 3.98Å; L172-I177 HydrophobicContact CD2-CD1 4.24Å; L172-V179 HydrophobicContact CD1-CG2 4.09Å
173E91.8Very high93.9Very high153 Ų15330.5 Ų30.572%0.71518%0.175SC*.THydrogen-bonded Turntrans-58.1137.5174.6-163.5158.7-134.600110.8A169 K170 S175A169-E173 PolarHBondContact O-N 3.34Å; K170-E173 VanDerWaalsContact O-CB 3.3Å; K170-E173 WeakPolarHBondContact O-CB 3.41Å; K170-E173 PolarHBondContact O-N 2.87Å; K170-E173 VanDerWaalsContact O-N 3.16Å; E173-S175 PolarHBondContact O-N 3.21Å
174G90.7Very high93Very high87 Ų8730.7 Ų30.790%0.89718%0.176SC*.THydrogen-bonded Turntrans74.6-9.2-173.100000116.5L172 G176L172-G174 PolarHBondContact O-N 2.69Å; G174-G176 VanDerWaalsContact C-N 3.32Å; G174-G176 PolarHBondContact O-N 3.48Å
175S93.2Very high91.8Very high32 Ų3230.6 Ų30.622%0.22418%0.177CC..THydrogen-bonded Turntrans-80.7-4.6-178.372.60000115.4L172 E173 I177L172-S175 VanDerWaalsContact O-CB 3.28Å; L172-S175 WeakPolarHBondContact O-CB 3.33Å; L172-S175 PolarHBondContact O-N 3.27Å; L172-S175 PolarHBondContact O-OG 2.87Å; E173-S175 PolarHBondContact O-N 3.21Å; S175-I177 PolarHBondContact O-N 2.97Å; S175-I177 WeakPolarHBondContact OG-CB 3.34Å; S175-I177 WeakPolarHBondContact OG-CG1 3.48Å; S175-I177 PolarHBondContact OG-N 2.88Å
176G93.7Very high90.3Very high42 Ų4234.9 Ų34.943%0.43320%0.203SC..THydrogen-bonded Turntrans75.52.3-17100000114.7P120 S121 G174P120-G176 WeakPolarHBondContact CA-O 3.35Å; S121-G176 PolarHBondContact N-O 3.23Å; G174-G176 VanDerWaalsContact C-N 3.32Å; G174-G176 PolarHBondContact O-N 3.48Å
177I96Very high88.7Confident6 Ų633.4 Ų33.43%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-95.7127.9175.7-49.3173.3000109.6L115 K116 S121 V123 L172 S175L115-I177 HydrophobicContact CB-CD1 3.74Å; L115-I177 HydrophobicContact CB-CG1 4.47Å; K116-I177 HydrophobicContact CG-CD1 3.75Å; S121-I177 WeakPolarHBondContact O-CA 3.22Å; V123-I177 HydrophobicContact CG2-CG2 4.02Å; L172-I177 HydrophobicContact CD1-CB 4.14Å; L172-I177 HydrophobicContact CD1-CD1 4.09Å; L172-I177 HydrophobicContact CD1-CG2 3.98Å; L172-I177 HydrophobicContact CD2-CD1 4.24Å; S175-I177 PolarHBondContact O-N 2.97Å; S175-I177 WeakPolarHBondContact OG-CB 3.34Å; S175-I177 WeakPolarHBondContact OG-CG1 3.48Å; S175-I177 PolarHBondContact OG-N 2.88Å
178T95.6Very high86.8Confident21 Ų2133.3 Ų33.313%0.12920%0.201CC..EExtended strand (participates in β ladder)trans-100.5133.7171.439.30000111.8S121 R122 V123 G236S121-T178 PolarHBondContact O-N 3.21Å; S121-T178 PolarHBondContact O-OG1 2.89Å; R122-T178 CarbonylContact C-O 3.5Å; R122-T178 VanDerWaalsContact CA-O 3.29Å; R122-T178 WeakPolarHBondContact CA-O 3.12Å; V123-T178 PolarHBondContact N-O 2.8Å; T178-G236 WeakPolarHBondContact CG2-O 3.32Å
179V96.3Very high84.7Confident0 Ų034 Ų340%021%0.205CC..EExtended strand (participates in β ladder)trans-109.2129.7176.5-172.70000109V123 V125 G165 L168 A169 L172 T239 G240V123-V179 HydrophobicContact CB-CG2 4.37Å; V123-V179 WeakPolarHBondContact O-CA 3.42Å; V125-V179 HydrophobicContact CG2-CG1 3.98Å; G165-V179 WeakPolarHBondContact O-CG1 3.46Å; L168-V179 HydrophobicContact CD2-CG1 4.08Å; L168-V179 HydrophobicContact CD2-CG2 3.99Å; L168-V179 HydrophobicContact CG-CG2 3.97Å; A169-V179 HydrophobicContact CB-CB 3.9Å; A169-V179 HydrophobicContact CB-CG1 4.47Å; A169-V179 HydrophobicContact CB-CG2 4.32Å; L172-V179 HydrophobicContact CD1-CG2 4.09Å; V179-T239 PolarHBondContact N-OG1 3.16Å; V179-T239 CarbonylContact O-C 3.49Å; V179-T239 WeakPolarHBondContact O-CA 3.19Å; V179-G240 PolarHBondContact O-N 3.31Å
180S93.3Very high83.2Confident1 Ų135.1 Ų35.11%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-130.9136.2177.8-76.20000110.8V123 I124 V125V123-S180 PolarHBondContact O-N 2.94Å; I124-S180 CarbonylContact C-O 3.52Å; I124-S180 WeakPolarHBondContact CA-O 3.3Å; V125-S180 PolarHBondContact N-O 3.38Å
181I93Very high81.8Confident2 Ų234.7 Ų34.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-100.2119.4177-58147.4000107.9V125 I162 R166 N241 Y242 Y243V125-I181 HydrophobicContact CB-CG1 4.18Å; V125-I181 CarbonylContact O-C 2.95Å; V125-I181 WeakPolarHBondContact O-CA 3.34Å; I162-I181 HydrophobicContact CG1-CG2 4.04Å; I162-I181 HydrophobicContact CG2-CD1 4.37Å; I162-I181 HydrophobicContact CG2-CG2 4.38Å; R166-I181 HydrophobicContact CG-CD1 3.78Å; I181-N241 PolarHBondContact N-O 3.46Å; I181-Y242 HydrophobicContact CB-CD2 4.05Å; I181-Y242 HydrophobicContact CG2-CD2 3.48Å; I181-Y242 VanDerWaalsContact CG2-CD2 3.48Å; I181-Y242 HydrophobicContact CG2-CE2 3.77Å; I181-Y242 HydrophobicContact CG2-CG 4.47Å; I181-Y242 CarbonylContact O-C 3.12Å; I181-Y242 WeakPolarHBondContact O-CA 3.49Å; I181-Y243 PolarHBondContact O-N 3.39Å
182A89.3Confident80.4Confident0 Ų031.3 Ų31.30%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1125.3-173.800000111.4I124 V125 G127 T225I124-A182 HydrophobicContact CG2-CB 4Å; V125-A182 PolarHBondContact O-N 2.78Å; G127-A182 PolarHBondContact N-O 3.04Å; A182-T225 HydrophobicContact CB-CG2 4.19Å
183H85.1Confident79.2Confident3 Ų333 Ų331%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-89.5121.9167.1-166.2-127.8000110.9S128 D129 G185 T225 Y242 Y243 E244S128-H183 VanDerWaalsContact CA-CD2 3.48Å; S128-H183 WeakPolarHBondContact CA-CD2 3.39Å; D129-H183 PolarHBondContact N-CD2 3.33Å; D129-H183 PolarHBondContact N-NE2 3.05Å; D129-H183 IonicContact OD1-CE1 2.71Å; D129-H183 IonicContact OD1-ND1 2.64Å; D129-H183 IonicContact OD2-CE1 3.7Å; D129-H183 PolarHBondContact OD2-CE1 3.11Å; D129-H183 IonicContact OD2-ND1 3.4Å; D129-H183 IonicContact OD2-NE2 3.73Å; H183-G185 WeakPolarHBondContact CE1-CA 3.25Å; H183-G185 PolarHBondContact CE1-N 2.83Å; H183-G185 PolarHBondContact ND1-N 2.83Å; H183-G185 PolarHBondContact O-N 3.23Å; H183-T225 WeakPolarHBondContact O-CB 3.28Å; H183-T225 WeakPolarHBondContact O-CG2 3.33Å; H183-T225 PolarHBondContact O-OG1 3.06Å; H183-Y242 HydrophobicContact CB-CE1 3.97Å; H183-Y243 PolarHBondContact N-O 2.78Å; H183-E244 HydrophobicContact CB-CB 4.19Å; H183-E244 HydrophobicContact CB-CG 4.33Å; H183-E244 IonicContact CE1-OE1 3.5Å; H183-E244 IonicContact CG-OE1 3.95Å; H183-E244 VanDerWaalsContact ND1-CD 3.3Å; H183-E244 IonicContact ND1-OE1 2.91Å; H183-E244 PolarHBondContact ND1-OE1 2.67Å; H183-E244 IonicContact ND1-OE2 3.25Å
184P77.1Confident78Confident4 Ų430.5 Ų30.53%0.02620%0.195CC..  trans-72.2-7.2175.928.9-35.3000113.7V126 G127 G222V126-P184 HydrophobicContact CG1-CG 4.26Å; G127-P184 WeakPolarHBondContact O-CD 3.39Å; P184-G222 VanDerWaalsContact CA-O 3.28Å; P184-G222 WeakPolarHBondContact CA-O 3.19Å; P184-G222 WeakPolarHBondContact CB-O 3.38Å; P184-G222 VanDerWaalsContact O-CA 3.23Å; P184-G222 WeakPolarHBondContact O-CA 3.44Å
185G70.6Confident76.7Confident4 Ų429.5 Ų29.54%0.04117%0.169CC..  trans71.3168.4-162.400000111.4H183 P187H183-G185 WeakPolarHBondContact CE1-CA 3.25Å; H183-G185 PolarHBondContact CE1-N 2.83Å; H183-G185 PolarHBondContact ND1-N 2.83Å; H183-G185 PolarHBondContact O-N 3.23Å; G185-P187 WeakPolarHBondContact O-CD 3.44Å
186T64Low75.2Confident89 Ų8928.9 Ų28.955%0.54617%0.165SC..SBendtrans-70.6110.3175.4-45.90000109.8C216 R217T186-C216 WeakPolarHBondContact O-CB 3.37Å; T186-R217 PolarHBondContact O-N 2.96Å
187P60.7Low73.5Confident25 Ų2537.6 Ų37.616%0.16218%0.184CC..BIsolated β-bridgetrans-90.3159.7179.527.6-13.3000110.9G185 R217G185-P187 WeakPolarHBondContact O-CD 3.44Å; P187-R217 CarbonylContact C-O 3.51Å; P187-R217 WeakPolarHBondContact CA-O 3.09Å
188V55.8Low71.8Confident11 Ų1139 Ų397%0.06720%0.197CC..SBendtrans-49.3141.6166.5-172.40000108.8S190 F212 C216 R217V188-S190 PolarHBondContact O-N 3.24Å; V188-F212 HydrophobicContact CG1-CB 4.06Å; V188-C216 HydrophobicContact CG2-CB 4.3Å; V188-R217 PolarHBondContact N-O 3.29Å
189P54.1Low70.1Confident16 Ų1639.6 Ų39.610%0.10420%0.198CC..  trans-46.8100.3-179.4-34.137.4000113.6M193 F199 F212P189-M193 HydrophobicContact CB-SD 3.89Å; P189-M193 HydrophobicContact CG-SD 4.19Å; P189-F199 HydrophobicContact CB-CD2 4.12Å; P189-F199 HydrophobicContact CB-CE2 3.8Å; P189-F212 VanDerWaalsContact CD-CB 3.47Å; P189-F212 VanDerWaalsContact CD-CD2 3.44Å; P189-F212 VanDerWaalsContact CD-CG 3.44Å; P189-F212 HydrophobicContact CG-CB 4.32Å; P189-F212 HydrophobicContact CG-CD1 4.39Å; P189-F212 HydrophobicContact CG-CD2 3.26Å; P189-F212 HydrophobicContact CG-CE2 3.43Å; P189-F212 VanDerWaalsContact CG-CE2 3.43Å; P189-F212 HydrophobicContact CG-CG 3.78Å; P189-F212 HydrophobicContact CG-CZ 4.11Å
190S62.8Low68.5Low28 Ų2848.3 Ų48.320%0.19623%0.231CC..  trans-81.7170.6174.463.70000110.4V188 L192 M193V188-S190 PolarHBondContact O-N 3.24Å; S190-L192 PolarHBondContact O-N 2.94Å; S190-M193 PolarHBondContact O-N 2.83Å
191E65.3Low67.2Low88 Ų8849.8 Ų49.841%0.41124%0.241SC..G310 helixtrans-49.9-11.5174.3-95.1-161.6-142.300116.7K28 M193 R194K28-E191 WeakPolarHBondContact CE-OE1 3.43Å; K28-E191 IonicContact NZ-OE1 3.7Å; K28-E191 PolarHBondContact NZ-OE1 2.96Å; K28-E191 IonicContact NZ-OE2 3.1Å; K28-E191 PolarHBondContact NZ-OE2 2.88Å; E191-M193 PolarHBondContact O-N 2.78Å; E191-R194 VanDerWaalsContact O-CB 3.28Å; E191-R194 WeakPolarHBondContact O-CB 3.41Å; E191-R194 VanDerWaalsContact O-CD 3.32Å; E191-R194 WeakPolarHBondContact O-CD 3.23Å; E191-R194 WeakPolarHBondContact O-CG 3.07Å; E191-R194 PolarHBondContact O-N 3.28Å; E191-R194 IonicContact OE2-CZ 2.87Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 2.82Å
192L66.1Low66.1Low39 Ų3955.8 Ų55.820%0.20427%0.273CS..G310 helixtrans-52.3-34.2166.2-169.972.9000112.2A81 W83 Y154 S190A81-L192 HydrophobicContact CB-CD1 4.38Å; W83-L192 HydrophobicContact CB-CD1 3.97Å; W83-L192 HydrophobicContact CB-CG 4.05Å; W83-L192 VanDerWaalsContact CE3-O 3.24Å; Y154-L192 HydrophobicContact CE1-CD2 4.33Å; Y154-L192 HydrophobicContact CE2-CD1 4.16Å; Y154-L192 HydrophobicContact CE2-CD2 4.02Å; Y154-L192 WeakPolarHBondContact OH-CD2 3.17Å; S190-L192 PolarHBondContact O-N 2.94Å
193M67.7Low65.1Low42 Ų4261.7 Ų61.721%0.20730%0.298CS..G310 helixtrans-88.15.3178.6-70.1-178.264.900114.2W151 P189 S190 E191 N195 S196 F199W151-M193 HydrophobicContact CH2-CG 4.35Å; W151-M193 HydrophobicContact CH2-SD 4.38Å; W151-M193 HydrophobicContact CZ2-CE 4.23Å; W151-M193 HydrophobicContact CZ2-CG 4.33Å; W151-M193 HydrophobicContact CZ2-SD 4.27Å; P189-M193 HydrophobicContact CB-SD 3.89Å; P189-M193 HydrophobicContact CG-SD 4.19Å; S190-M193 PolarHBondContact O-N 2.83Å; E191-M193 PolarHBondContact O-N 2.78Å; M193-N195 PolarHBondContact O-N 2.79Å; M193-S196 VanDerWaalsContact O-CB 3.28Å; M193-S196 WeakPolarHBondContact O-CB 3.47Å; M193-S196 PolarHBondContact O-N 3.28Å; M193-F199 HydrophobicContact CB-CB 4.39Å; M193-F199 HydrophobicContact CB-CD2 3.59Å; M193-F199 HydrophobicContact CB-CE2 4.13Å; M193-F199 HydrophobicContact CB-CG 4.15Å; M193-F199 VanDerWaalsContact O-CB 3.32Å; M193-F199 WeakPolarHBondContact O-CB 3.43Å
194R67.9Low64.1Low100 Ų10062 Ų6238%0.37730%0.3SS..THydrogen-bonded Turntrans-60.9-20.7-175.174.9-168.2173.3-148.3-5114.8E191 S196 W200E191-R194 VanDerWaalsContact O-CB 3.28Å; E191-R194 WeakPolarHBondContact O-CB 3.41Å; E191-R194 VanDerWaalsContact O-CD 3.32Å; E191-R194 WeakPolarHBondContact O-CD 3.23Å; E191-R194 WeakPolarHBondContact O-CG 3.07Å; E191-R194 PolarHBondContact O-N 3.28Å; E191-R194 IonicContact OE2-CZ 2.87Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 2.82Å; R194-S196 VanDerWaalsContact C-N 3.26Å; R194-S196 PolarHBondContact O-N 3.18Å; R194-W200 PolarHBondContact O-NE1 3.21Å
195N63.7Low63.5Low67 Ų6767.2 Ų67.236%0.35833%0.325SS..THydrogen-bonded Turntrans-83.93.2177-63.1-12.7000112.8W83 M193W83-N195 HydrophobicContact CE3-CB 4.11Å; W83-N195 HydrophobicContact CZ3-CB 3.82Å; W83-N195 PolarHBondContact O-ND2 3.47Å; M193-N195 PolarHBondContact O-N 2.79Å
196S61.2Low63.5Low19 Ų1974 Ų7413%0.13335%0.354CS..  trans-94.1124.7175.1154.70000109.3M193 R194 A198 F199M193-S196 VanDerWaalsContact O-CB 3.28Å; M193-S196 WeakPolarHBondContact O-CB 3.47Å; M193-S196 PolarHBondContact O-N 3.28Å; R194-S196 VanDerWaalsContact C-N 3.26Å; R194-S196 PolarHBondContact O-N 3.18Å; S196-A198 PolarHBondContact O-N 3.25Å; S196-A198 WeakPolarHBondContact OG-CB 3.45Å; S196-A198 PolarHBondContact OG-N 2.91Å; S196-A198 VanDerWaalsContact OG-N 3.17Å; S196-F199 WeakPolarHBondContact O-CB 3.27Å; S196-F199 PolarHBondContact O-N 3.49Å; S196-F199 VanDerWaalsContact O-N 3.08Å; S196-F199 PolarHBondContact OG-N 3.39Å; S196-F199 VanDerWaalsContact OG-N 3.12Å
197W58.6Low63.9Low224 Ų22473 Ų7385%0.84835%0.347SS*.G310 helixtrans-56.1-36.1171.173.5-89.4000111.7F199 W200 S201W197-F199 VanDerWaalsContact C-N 3.31Å; W197-F199 PolarHBondContact O-N 3.45Å; W197-W200 PolarHBondContact O-N 2.76Å; W197-S201 PolarHBondContact O-N 3.42Å
198A59.3Low64.2Low35 Ų3574.4 Ų74.429%0.28935%0.353SS..G310 helixtrans-66.6-30.617900000112.4S196 W200 S201 H204S196-A198 PolarHBondContact O-N 3.25Å; S196-A198 WeakPolarHBondContact OG-CB 3.45Å; S196-A198 PolarHBondContact OG-N 2.91Å; S196-A198 VanDerWaalsContact OG-N 3.17Å; A198-W200 VanDerWaalsContact C-N 3.25Å; A198-W200 PolarHBondContact O-N 3.49Å; A198-S201 WeakPolarHBondContact O-CB 3.23Å; A198-S201 PolarHBondContact O-N 3.12Å; A198-S201 VanDerWaalsContact O-N 3.13Å; A198-S201 PolarHBondContact O-OG 3.42Å; A198-H204 WeakPolarHBondContact O-CB 3.33Å
199F60.5Low64.8Low34 Ų3476.5 Ų76.515%0.14936%0.362CS..G310 helixtrans-63.1-31.1178.2-180-93.6000112.6P189 M193 S196 W197 H204P189-F199 HydrophobicContact CB-CD2 4.12Å; P189-F199 HydrophobicContact CB-CE2 3.8Å; M193-F199 HydrophobicContact CB-CB 4.39Å; M193-F199 HydrophobicContact CB-CD2 3.59Å; M193-F199 HydrophobicContact CB-CE2 4.13Å; M193-F199 HydrophobicContact CB-CG 4.15Å; M193-F199 VanDerWaalsContact O-CB 3.32Å; M193-F199 WeakPolarHBondContact O-CB 3.43Å; S196-F199 WeakPolarHBondContact O-CB 3.27Å; S196-F199 PolarHBondContact O-N 3.49Å; S196-F199 VanDerWaalsContact O-N 3.08Å; S196-F199 PolarHBondContact OG-N 3.39Å; S196-F199 VanDerWaalsContact OG-N 3.12Å; W197-F199 VanDerWaalsContact C-N 3.31Å; W197-F199 PolarHBondContact O-N 3.45Å; F199-H204 AromaticContact CD2-CE1 3.3Å; F199-H204 WeakPolarHBondContact CD2-CE1 3.27Å; F199-H204 AromaticContact CD2-ND1 3.99Å; F199-H204 AromaticContact CD2-NE2 3.83Å; F199-H204 AromaticContact CE2-CE1 3.64Å; F199-H204 AromaticContact CG-CE1 3.98Å; F199-H204 PolarHBondContact O-ND1 2.99Å
200W62.8Low65.3Low184 Ų18478.7 Ų78.770%0.69738%0.377SS*.G310 helixtrans-90.9-2.2177.4-64.7100.9000113.8R194 W197 A198R194-W200 PolarHBondContact O-NE1 3.21Å; W197-W200 PolarHBondContact O-N 2.76Å; A198-W200 VanDerWaalsContact C-N 3.25Å; A198-W200 PolarHBondContact O-N 3.49Å
201S66.3Low65.5Low31 Ų3180.5 Ų80.522%0.21739%0.386CS..SBendtrans-70.4145.9179.172.60000112.4W197 A198 F203 H204 M205W197-S201 PolarHBondContact O-N 3.42Å; A198-S201 WeakPolarHBondContact O-CB 3.23Å; A198-S201 PolarHBondContact O-N 3.12Å; A198-S201 VanDerWaalsContact O-N 3.13Å; A198-S201 PolarHBondContact O-OG 3.42Å; S201-F203 PolarHBondContact O-N 2.88Å; S201-H204 PolarHBondContact O-N 3.23Å; S201-H204 WeakPolarHBondContact OG-CB 3.2Å; S201-H204 PolarHBondContact OG-N 3.19Å; S201-H204 VanDerWaalsContact OG-N 3.08Å; S201-M205 PolarHBondContact O-N 3.11Å
202L68.8Low65.6Low129 Ų12979.2 Ų79.268%0.67538%0.38SS*.Hα-helixtrans-56.1-34.7172.5-66.1168.7000111.8M205 F206L202-M205 PolarHBondContact O-N 3.28Å; L202-F206 HydrophobicContact CB-CD2 4.4Å; L202-F206 HydrophobicContact CD2-CD2 4.44Å; L202-F206 HydrophobicContact CD2-CE2 3.95Å; L202-F206 WeakPolarHBondContact O-CD2 3.4Å; L202-F206 PolarHBondContact O-N 3.45Å
203F67.9Low65.5Low124 Ų12482.6 Ų82.654%0.54439%0.394SS..Hα-helixtrans-62-42.7173.8-179-101.8000112.2S201 V207 L208S201-F203 PolarHBondContact O-N 2.88Å; F203-V207 HydrophobicContact CD2-CB 4.02Å; F203-V207 HydrophobicContact CD2-CG2 3.76Å; F203-V207 HydrophobicContact CE2-CB 3.88Å; F203-V207 HydrophobicContact CE2-CG1 3.92Å; F203-V207 HydrophobicContact CE2-CG2 3.86Å; F203-V207 HydrophobicContact CZ-CB 4.29Å; F203-V207 HydrophobicContact CZ-CG1 4.12Å; F203-V207 WeakPolarHBondContact O-CA 3.44Å; F203-V207 VanDerWaalsContact O-CB 3.27Å; F203-V207 WeakPolarHBondContact O-CB 3.5Å; F203-V207 PolarHBondContact O-N 2.93Å; F203-L208 HydrophobicContact CD1-CD1 3.93Å; F203-L208 HydrophobicContact CD1-CG 4.01Å; F203-L208 HydrophobicContact CE1-CD1 3.82Å; F203-L208 HydrophobicContact CE1-CD2 3.88Å; F203-L208 HydrophobicContact CE1-CG 3.71Å; F203-L208 HydrophobicContact CZ-CD2 4.38Å; F203-L208 PolarHBondContact O-N 2.59Å
204H64.2Low65.1Low9 Ų987.2 Ų87.24%0.04242%0.419CS..Iπ-helixtrans-65.7-40.3174.4178.3-100.1000111.9A198 F199 S201 L208 Q209 F212A198-H204 WeakPolarHBondContact O-CB 3.33Å; F199-H204 AromaticContact CD2-CE1 3.3Å; F199-H204 WeakPolarHBondContact CD2-CE1 3.27Å; F199-H204 AromaticContact CD2-ND1 3.99Å; F199-H204 AromaticContact CD2-NE2 3.83Å; F199-H204 AromaticContact CE2-CE1 3.64Å; F199-H204 AromaticContact CG-CE1 3.98Å; F199-H204 PolarHBondContact O-ND1 2.99Å; S201-H204 PolarHBondContact O-N 3.23Å; S201-H204 WeakPolarHBondContact OG-CB 3.2Å; S201-H204 PolarHBondContact OG-N 3.19Å; S201-H204 VanDerWaalsContact OG-N 3.08Å; H204-L208 HydrophobicContact CB-CD1 4.22Å; H204-L208 PolarHBondContact O-N 3.2Å; H204-Q209 WeakPolarHBondContact O-CB 3.46Å; H204-Q209 PolarHBondContact O-N 3.33Å; H204-F212 AromaticContact NE2-CE2 3.95Å
205M64.6Low64.7Low114 Ų11490.4 Ų90.456%0.56244%0.436SS*.Iπ-helixtrans-66.3-46.6179.7-171.7175.8-75.800113.5S201 L202 Q209S201-M205 PolarHBondContact O-N 3.11Å; L202-M205 PolarHBondContact O-N 3.28Å; M205-Q209 WeakPolarHBondContact O-CB 3.11Å
206F71.1Confident64.8Low146 Ų14688.4 Ų88.464%0.6443%0.426SS*.Iπ-helixtrans-96.5-20.4-172.6-68.6-69.4000114.9L202L202-F206 HydrophobicContact CB-CD2 4.4Å; L202-F206 HydrophobicContact CD2-CD2 4.44Å; L202-F206 HydrophobicContact CD2-CE2 3.95Å; L202-F206 WeakPolarHBondContact O-CD2 3.4Å; L202-F206 PolarHBondContact O-N 3.45Å
207V72Confident65.1Low67 Ų6789.1 Ų89.141%0.40643%0.426SS..Iπ-helixtrans-113.8-55.1-178.3-1720000111.5F203 V211F203-V207 HydrophobicContact CD2-CB 4.02Å; F203-V207 HydrophobicContact CD2-CG2 3.76Å; F203-V207 HydrophobicContact CE2-CB 3.88Å; F203-V207 HydrophobicContact CE2-CG1 3.92Å; F203-V207 HydrophobicContact CE2-CG2 3.86Å; F203-V207 HydrophobicContact CZ-CB 4.29Å; F203-V207 HydrophobicContact CZ-CG1 4.12Å; F203-V207 WeakPolarHBondContact O-CA 3.44Å; F203-V207 VanDerWaalsContact O-CB 3.27Å; F203-V207 WeakPolarHBondContact O-CB 3.5Å; F203-V207 PolarHBondContact O-N 2.93Å; V207-V211 VanDerWaalsContact O-CG2 3.25Å; V207-V211 WeakPolarHBondContact O-CG2 3.38Å; V207-V211 PolarHBondContact O-N 3.2Å
208L67.2Low65.5Low55 Ų5580.9 Ų80.929%0.28840%0.401SS..Iπ-helixtrans-75.4-39.8-173.8-58.6175.8000112.9F203 H204 V211 F212F203-L208 HydrophobicContact CD1-CD1 3.93Å; F203-L208 HydrophobicContact CD1-CG 4.01Å; F203-L208 HydrophobicContact CE1-CD1 3.82Å; F203-L208 HydrophobicContact CE1-CD2 3.88Å; F203-L208 HydrophobicContact CE1-CG 3.71Å; F203-L208 HydrophobicContact CZ-CD2 4.38Å; F203-L208 PolarHBondContact O-N 2.59Å; H204-L208 HydrophobicContact CB-CD1 4.22Å; H204-L208 PolarHBondContact O-N 3.2Å; L208-V211 PolarHBondContact O-N 3.03Å; L208-F212 HydrophobicContact CB-CD2 3.91Å; L208-F212 HydrophobicContact CB-CE2 3.62Å; L208-F212 HydrophobicContact CB-CZ 4.48Å; L208-F212 HydrophobicContact CD1-CE2 4.5Å; L208-F212 WeakPolarHBondContact O-CB 3.37Å; L208-F212 WeakPolarHBondContact O-CD2 3.48Å; L208-F212 VanDerWaalsContact O-CG 3.31Å; L208-F212 WeakPolarHBondContact O-CG 3.28Å; L208-F212 PolarHBondContact O-N 3.32Å
209Q67.7Low65.9Low55 Ų5580.8 Ų80.826%0.25740%0.397SS..Hα-helixtrans-58.3-48.1-179.8-113.4-74.5-17.600113.1H204 M205 F212 H213H204-Q209 WeakPolarHBondContact O-CB 3.46Å; H204-Q209 PolarHBondContact O-N 3.33Å; M205-Q209 WeakPolarHBondContact O-CB 3.11Å; Q209-F212 PolarHBondContact O-N 2.97Å; Q209-H213 PolarHBondContact O-N 3.35Å; Q209-H213 PolarHBondContact O-ND1 3.46Å; Q209-H213 PolarHBondContact OE1-CE1 2.89Å; Q209-H213 PolarHBondContact OE1-ND1 3.05Å
210P66.2Low66.3Low63 Ų6385.4 Ų85.441%0.40942%0.42SS..Hα-helixtrans-60.1-44172.9-25.935.7000113F212 H213 L214P210-F212 PolarHBondContact O-N 3.37Å; P210-H213 WeakPolarHBondContact O-CB 3.34Å; P210-H213 PolarHBondContact O-N 2.85Å; P210-L214 WeakPolarHBondContact O-CD1 3.28Å; P210-L214 PolarHBondContact O-N 3.12Å; P210-L214 VanDerWaalsContact O-N 3.08Å
211V66.4Low66.6Low66 Ų6680.5 Ų80.540%0.441%0.405SS..Hα-helixtrans-61-45.7177.3169.80000110.8V207 L208 H213 L214 F215V207-V211 VanDerWaalsContact O-CG2 3.25Å; V207-V211 WeakPolarHBondContact O-CG2 3.38Å; V207-V211 PolarHBondContact O-N 3.2Å; L208-V211 PolarHBondContact O-N 3.03Å; V211-H213 VanDerWaalsContact C-N 3.33Å; V211-H213 PolarHBondContact O-N 2.85Å; V211-L214 PolarHBondContact O-N 3.02Å; V211-L214 VanDerWaalsContact O-N 3.12Å; V211-F215 HydrophobicContact CG1-CD2 3.76Å; V211-F215 HydrophobicContact CG1-CE2 4.06Å; V211-F215 WeakPolarHBondContact O-CD2 3.45Å; V211-F215 PolarHBondContact O-N 3.41Å
212F66.7Low66.9Low61 Ų6179 Ų7927%0.26840%0.395SS..Hα-helixtrans-65.1-34175.2-68.1-51.7000112.6V188 P189 H204 L208 Q209 P210 L214 F215 C216V188-F212 HydrophobicContact CG1-CB 4.06Å; P189-F212 VanDerWaalsContact CD-CB 3.47Å; P189-F212 VanDerWaalsContact CD-CD2 3.44Å; P189-F212 VanDerWaalsContact CD-CG 3.44Å; P189-F212 HydrophobicContact CG-CB 4.32Å; P189-F212 HydrophobicContact CG-CD1 4.39Å; P189-F212 HydrophobicContact CG-CD2 3.26Å; P189-F212 HydrophobicContact CG-CE2 3.43Å; P189-F212 VanDerWaalsContact CG-CE2 3.43Å; P189-F212 HydrophobicContact CG-CG 3.78Å; P189-F212 HydrophobicContact CG-CZ 4.11Å; H204-F212 AromaticContact NE2-CE2 3.95Å; L208-F212 HydrophobicContact CB-CD2 3.91Å; L208-F212 HydrophobicContact CB-CE2 3.62Å; L208-F212 HydrophobicContact CB-CZ 4.48Å; L208-F212 HydrophobicContact CD1-CE2 4.5Å; L208-F212 WeakPolarHBondContact O-CB 3.37Å; L208-F212 WeakPolarHBondContact O-CD2 3.48Å; L208-F212 VanDerWaalsContact O-CG 3.31Å; L208-F212 WeakPolarHBondContact O-CG 3.28Å; L208-F212 PolarHBondContact O-N 3.32Å; Q209-F212 PolarHBondContact O-N 2.97Å; P210-F212 PolarHBondContact O-N 3.37Å; F212-L214 VanDerWaalsContact C-N 3.27Å; F212-L214 PolarHBondContact O-N 2.87Å; F212-F215 PolarHBondContact O-N 2.97Å; F212-C216 WeakPolarHBondContact O-CA 3.18Å; F212-C216 WeakPolarHBondContact O-CB 3.16Å; F212-C216 PolarHBondContact O-N 3.29Å
213H64.4Low67.3Low110 Ų11073 Ų7351%0.50936%0.364SS..Hα-helixtrans-65.5-27.5172.1-98.695000113.6Q209 P210 V211Q209-H213 PolarHBondContact O-N 3.35Å; Q209-H213 PolarHBondContact O-ND1 3.46Å; Q209-H213 PolarHBondContact OE1-CE1 2.89Å; Q209-H213 PolarHBondContact OE1-ND1 3.05Å; P210-H213 WeakPolarHBondContact O-CB 3.34Å; P210-H213 PolarHBondContact O-N 2.85Å; V211-H213 VanDerWaalsContact C-N 3.33Å; V211-H213 PolarHBondContact O-N 2.85Å
214L60.6Low67.8Low139 Ų13970.5 Ų70.573%0.72835%0.354SS*.Hα-helixtrans-80-39173.8-95.1116.2000113.5P210 V211 F212P210-L214 WeakPolarHBondContact O-CD1 3.28Å; P210-L214 PolarHBondContact O-N 3.12Å; P210-L214 VanDerWaalsContact O-N 3.08Å; V211-L214 PolarHBondContact O-N 3.02Å; V211-L214 VanDerWaalsContact O-N 3.12Å; F212-L214 VanDerWaalsContact C-N 3.27Å; F212-L214 PolarHBondContact O-N 2.87Å
215F58.4Low68.6Low167 Ų16770 Ų7073%0.73235%0.352SS*.Hα-helixtrans-107.8-14.6-170-62.9-68.3000115.4V211 F212V211-F215 HydrophobicContact CG1-CD2 3.76Å; V211-F215 HydrophobicContact CG1-CE2 4.06Å; V211-F215 WeakPolarHBondContact O-CD2 3.45Å; V211-F215 PolarHBondContact O-N 3.41Å; F212-F215 PolarHBondContact O-N 2.97Å
216C66.2Low69.6Low24 Ų2465 Ų6516%0.16233%0.327CS..SBendtrans-114.5161.4-179.4-56.20000111.8T186 V188 F212T186-C216 WeakPolarHBondContact O-CB 3.37Å; V188-C216 HydrophobicContact CG2-CB 4.3Å; F212-C216 WeakPolarHBondContact O-CA 3.18Å; F212-C216 WeakPolarHBondContact O-CB 3.16Å; F212-C216 PolarHBondContact O-N 3.29Å
217R66.7Low70Confident35 Ų3559.5 Ų59.513%0.13231%0.306CS..BIsolated β-bridgetrans-76.3139.6-177.4-69.4-165.9-176.9176.114.3112.6T186 P187 V188 Q221 L245 A247T186-R217 PolarHBondContact O-N 2.96Å; P187-R217 CarbonylContact C-O 3.51Å; P187-R217 WeakPolarHBondContact CA-O 3.09Å; V188-R217 PolarHBondContact N-O 3.29Å; R217-Q221 HydrophobicContact CB-CB 3.96Å; R217-Q221 HydrophobicContact CG-CB 4.32Å; R217-L245 PolarHBondContact NH1-O 2.85Å; R217-L245 PolarHBondContact NH2-O 3.46Å; R217-A247 VanDerWaalsContact NH2-N 3.18Å
218T67.6Low70.5Confident50 Ų5058.6 Ų58.631%0.30730%0.295SS..  trans-60.8156.116772.60000110.3M220 Q221 G222T218-M220 PolarHBondContact O-N 2.81Å; T218-M220 VanDerWaalsContact O-N 3.09Å; T218-Q221 PolarHBondContact O-N 2.75Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.41Å; T218-Q221 PolarHBondContact OG1-N 3.16Å; T218-G222 PolarHBondContact O-N 3.38Å
219T67.9Low71.4Confident34 Ų3456 Ų5621%0.20928%0.282CS..Hα-helixtrans-59.2-28.5-177.4-21.20000112.8E2 R3 A223E2-T219 HydrophobicContact CB-CG2 3.49Å; E2-T219 VanDerWaalsContact CB-CG2 3.49Å; E2-T219 WeakPolarHBondContact OE2-CG2 3.4Å; E2-T219 PolarHBondContact OE2-OG1 3.06Å; R3-T219 HydrophobicContact CB-CG2 4.44Å; R3-T219 HydrophobicContact CG-CG2 3.47Å; R3-T219 VanDerWaalsContact CG-CG2 3.47Å; T219-A223 PolarHBondContact O-N 2.92Å
220M68Low72.3Confident130 Ų13054.1 Ų54.164%0.6428%0.276SS*.Hα-helixtrans-76.1-41.5175.2-163.4179.974.300112.9S6 T218 G222 A223S6-M220 WeakPolarHBondContact OG-CA 3.34Å; T218-M220 PolarHBondContact O-N 2.81Å; T218-M220 VanDerWaalsContact O-N 3.09Å; M220-G222 VanDerWaalsContact C-N 3.31Å; M220-A223 PolarHBondContact O-N 3Å
221Q70.9Confident73Confident81 Ų8153.7 Ų53.738%0.37927%0.274SS..Hα-helixtrans-62.6-39.9171.5-72.9168.7-14.700111.3R217 T218 A223 Q224R217-Q221 HydrophobicContact CB-CB 3.96Å; R217-Q221 HydrophobicContact CG-CB 4.32Å; T218-Q221 PolarHBondContact O-N 2.75Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.41Å; T218-Q221 PolarHBondContact OG1-N 3.16Å; Q221-A223 PolarHBondContact O-N 3.45Å; Q221-Q224 WeakPolarHBondContact O-CB 3.11Å; Q221-Q224 WeakPolarHBondContact O-CG 3.15Å; Q221-Q224 PolarHBondContact O-N 3.04Å
222G72.1Confident73.7Confident0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-69-1818000000114.8P184 T218 M220P184-G222 VanDerWaalsContact CA-O 3.28Å; P184-G222 WeakPolarHBondContact CA-O 3.19Å; P184-G222 WeakPolarHBondContact CB-O 3.38Å; P184-G222 VanDerWaalsContact O-CA 3.23Å; P184-G222 WeakPolarHBondContact O-CA 3.44Å; T218-G222 PolarHBondContact O-N 3.38Å; M220-G222 VanDerWaalsContact C-N 3.31Å
223A77.2Confident74.5Confident4 Ų455.3 Ų55.33%0.03328%0.28CS..Hα-helixtrans-82.7-16.1173.800000113.5S6 T219 M220 Q221 T225 T226 V227S6-A223 VanDerWaalsContact CB-CB 3.41Å; T219-A223 PolarHBondContact O-N 2.92Å; M220-A223 PolarHBondContact O-N 3Å; Q221-A223 PolarHBondContact O-N 3.45Å; A223-T225 VanDerWaalsContact C-N 3.35Å; A223-T225 PolarHBondContact O-N 3.01Å; A223-T226 PolarHBondContact O-N 3.26Å; A223-V227 WeakPolarHBondContact O-CG2 3.23Å; A223-V227 PolarHBondContact O-N 3.41Å
224Q77.7Confident75.4Confident70 Ų7055.3 Ų55.333%0.32728%0.28SS..Hα-helixtrans-60.3-39.6-171.7-68.3178.7-2200112.9Q221 V227 Y228 L245Q221-Q224 WeakPolarHBondContact O-CB 3.11Å; Q221-Q224 WeakPolarHBondContact O-CG 3.15Å; Q221-Q224 PolarHBondContact O-N 3.04Å; Q224-V227 PolarHBondContact O-N 3.45Å; Q224-Y228 WeakPolarHBondContact O-CB 3.4Å; Q224-Y228 PolarHBondContact O-N 3.22Å; Q224-L245 HydrophobicContact CB-CD1 3.54Å
225T81.6Confident76.5Confident0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-65.7-43.6179.7-42.20000111A182 H183 A223 Y228 C229 Y243A182-T225 HydrophobicContact CB-CG2 4.19Å; H183-T225 WeakPolarHBondContact O-CB 3.28Å; H183-T225 WeakPolarHBondContact O-CG2 3.33Å; H183-T225 PolarHBondContact O-OG1 3.06Å; A223-T225 VanDerWaalsContact C-N 3.35Å; A223-T225 PolarHBondContact O-N 3.01Å; T225-Y228 PolarHBondContact O-N 3.24Å; T225-C229 PolarHBondContact O-N 2.98Å; T225-C229 PolarHBondContact O-SG 3.31Å; T225-Y243 WeakPolarHBondContact CG2-O 3.47Å
226T84.7Confident77.7Confident7 Ų742 Ų424%0.04322%0.224CC..Hα-helixtrans-62.8-43.9178.1-46.80000111.2I77 I124 V126 A223 C229 A230I77-T226 HydrophobicContact CD1-CG2 4.35Å; I77-T226 HydrophobicContact CG2-CG2 3.5Å; I124-T226 HydrophobicContact CG2-CG2 3.87Å; V126-T226 HydrophobicContact CG2-CG2 4.11Å; A223-T226 PolarHBondContact O-N 3.26Å; T226-C229 PolarHBondContact O-N 2.61Å; T226-A230 WeakPolarHBondContact O-CB 3.11Å; T226-A230 PolarHBondContact O-N 3.06Å
227V80.4Confident78.6Confident32 Ų3247.6 Ų47.619%0.19425%0.245CC..Hα-helixtrans-62.3-44.1174.5167.70000111.3A7 A10 A223 Q224 C229 A230 C231A7-V227 HydrophobicContact CB-CG2 4.42Å; A10-V227 HydrophobicContact CB-CB 4.14Å; A10-V227 HydrophobicContact CB-CG1 3.45Å; A10-V227 VanDerWaalsContact CB-CG1 3.45Å; A10-V227 HydrophobicContact CB-CG2 3.5Å; A10-V227 VanDerWaalsContact CB-CG2 3.5Å; A223-V227 WeakPolarHBondContact O-CG2 3.23Å; A223-V227 PolarHBondContact O-N 3.41Å; Q224-V227 PolarHBondContact O-N 3.45Å; V227-C229 VanDerWaalsContact C-N 3.34Å; V227-C229 PolarHBondContact O-N 2.69Å; V227-A230 PolarHBondContact O-N 2.69Å; V227-C231 WeakPolarHBondContact O-CB 3.28Å; V227-C231 PolarHBondContact O-N 2.83Å; V227-C231 PolarHBondContact O-SG 2.78Å; V227-C231 VanDerWaalsContact O-SG 3.34Å
228Y82.9Confident79.5Confident47 Ų4748.8 Ų48.818%0.18426%0.256CS..Hα-helixtrans-61-42177.4-178.8-97.1000112Q224 T225 S232 E234 A265Q224-Y228 WeakPolarHBondContact O-CB 3.4Å; Q224-Y228 PolarHBondContact O-N 3.22Å; T225-Y228 PolarHBondContact O-N 3.24Å; Y228-S232 WeakPolarHBondContact O-CB 3.42Å; Y228-S232 PolarHBondContact O-N 3.27Å; Y228-S232 PolarHBondContact O-OG 3.43Å; Y228-E234 PolarHBondContact OH-OE2 3.21Å; Y228-A265 HydrophobicContact CD1-CB 3.98Å; Y228-A265 HydrophobicContact CE1-CB 3.78Å
229C86.1Confident80.6Confident0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-67.4-38.8175.9-580000112.2R122 I124 T225 T226 V227R122-C229 PolarHBondContact NH1-O 3.03Å; I124-C229 HydrophobicContact CD1-CB 3.8Å; I124-C229 HydrophobicContact CG1-CB 4.48Å; I124-C229 HydrophobicContact CG2-CB 4Å; T225-C229 PolarHBondContact O-N 2.98Å; T225-C229 PolarHBondContact O-SG 3.31Å; T226-C229 PolarHBondContact O-N 2.61Å; V227-C229 VanDerWaalsContact C-N 3.34Å; V227-C229 PolarHBondContact O-N 2.69Å
230A84.8Confident81.6Confident17 Ų1747.4 Ų47.414%0.1425%0.25CS..Hα-helixtrans-68.6-35.2177.700000113.4I77 R122 I124 T226 V227I77-A230 HydrophobicContact CD1-CB 4.34Å; R122-A230 WeakPolarHBondContact CD-O 3.32Å; R122-A230 PolarHBondContact NE-O 3.31Å; R122-A230 PolarHBondContact NH1-O 3.05Å; I124-A230 HydrophobicContact CG1-CB 4.19Å; T226-A230 WeakPolarHBondContact O-CB 3.11Å; T226-A230 PolarHBondContact O-N 3.06Å; V227-A230 PolarHBondContact O-N 2.69Å
231C82.3Confident82.6Confident54 Ų5442.2 Ų42.237%0.36523%0.225SC..Hα-helixtrans-114.8-25.3-166.2-54.50000115.2L14 V227L14-C231 HydrophobicContact CD1-CB 4.4Å; V227-C231 WeakPolarHBondContact O-CB 3.28Å; V227-C231 PolarHBondContact O-N 2.83Å; V227-C231 PolarHBondContact O-SG 2.78Å; V227-C231 VanDerWaalsContact O-SG 3.34Å
232S80.7Confident83.4Confident20 Ų2038.9 Ų38.914%0.1421%0.209CC..  trans-70.7144.4-175.174.10000111.8R122 Y228 E234 C235 G236R122-S232 VanDerWaalsContact CZ-O 3.25Å; R122-S232 PolarHBondContact NH1-O 3.47Å; R122-S232 PolarHBondContact NH2-O 2.85Å; Y228-S232 WeakPolarHBondContact O-CB 3.42Å; Y228-S232 PolarHBondContact O-N 3.27Å; Y228-S232 PolarHBondContact O-OG 3.43Å; S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 PolarHBondContact O-N 2.99Å; S232-C235 WeakPolarHBondContact OG-CB 3.12Å; S232-C235 PolarHBondContact OG-N 3.31Å; S232-C235 PolarHBondContact OG-SG 3.34Å; S232-G236 PolarHBondContact O-N 2.85Å
233E83.3Confident84Confident141 Ų14139.1 Ų39.166%0.65921%0.21SC*.THydrogen-bonded Turntrans-67.9-30.7177.2-150.7-164.6-126.700111.8G236 K237E233-G236 PolarHBondContact O-N 3.26Å; E233-K237 WeakPolarHBondContact O-CG 3.47Å; E233-K237 PolarHBondContact O-N 3.4Å; E233-K237 IonicContact OE2-NZ 3.88Å; E233-K237 PolarHBondContact OE2-NZ 2.7Å
234E83.5Confident84Confident110 Ų11040 Ų4051%0.51421%0.214SC..THydrogen-bonded Turntrans-63.3-50.9177.3-173.8-177173.600112.5Y228 S232 G236 K237Y228-E234 PolarHBondContact OH-OE2 3.21Å; S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 PolarHBondContact O-N 2.99Å; E234-G236 PolarHBondContact O-N 2.67Å; E234-K237 PolarHBondContact O-N 3.22Å
235C83.2Confident83.4Confident0 Ų037.6 Ų37.60%020%0.203CC..G310 helixtrans-64.9-24.5176.6-65.60000112.6S232 K237 Y243S232-C235 WeakPolarHBondContact OG-CB 3.12Å; S232-C235 PolarHBondContact OG-N 3.31Å; S232-C235 PolarHBondContact OG-SG 3.34Å; C235-K237 PolarHBondContact O-N 2.88Å; C235-Y243 VanDerWaalsContact SG-CE1 3.57Å
236G83.2Confident82Confident26 Ų2641.9 Ų41.927%0.26823%0.229SC..G310 helixtrans-73.6-8.2174.100000114.5T178 S232 E233 E234T178-G236 WeakPolarHBondContact CG2-O 3.32Å; S232-G236 PolarHBondContact O-N 2.85Å; E233-G236 PolarHBondContact O-N 3.26Å; E234-G236 PolarHBondContact O-N 2.67Å
237K85Confident79.9Confident142 Ų14245 Ų4562%0.61726%0.255SS*.G310 helixtrans-106.3-10.5-178.2-71.1166.3176.5173.20113.6E233 E234 C235E233-K237 WeakPolarHBondContact O-CG 3.47Å; E233-K237 PolarHBondContact O-N 3.4Å; E233-K237 IonicContact OE2-NZ 3.88Å; E233-K237 PolarHBondContact OE2-NZ 2.7Å; E234-K237 PolarHBondContact O-N 3.22Å; C235-K237 PolarHBondContact O-N 2.88Å
238V86.3Confident77.5Confident60 Ų6055 Ų5536%0.36429%0.29SS..  trans-139.5120.4-174.6-163.30000111.5N241V238-N241 WeakPolarHBondContact CB-ND2 3.25Å; V238-N241 WeakPolarHBondContact CG1-ND2 3.42Å
239T91.3Very high74.8Confident40 Ų4057.4 Ų57.425%0.24532%0.32CS..  trans-91.6156.6179.2-160.40000112.2A169 V179 N241A169-T239 HydrophobicContact CB-CG2 4.27Å; A169-T239 WeakPolarHBondContact CB-OG1 3.13Å; V179-T239 PolarHBondContact N-OG1 3.16Å; V179-T239 CarbonylContact O-C 3.49Å; V179-T239 WeakPolarHBondContact O-CA 3.19Å; T239-N241 VanDerWaalsContact C-N 3.31Å; T239-N241 PolarHBondContact O-N 2.89Å
240G87.8Confident71.9Confident14 Ų1468.9 Ų68.914%0.14436%0.363CS..SBendtrans77.62.6171.600000116.7V179V179-G240 PolarHBondContact O-N 3.31Å
241N89Confident69.1Low22 Ų2275.3 Ų75.312%0.11839%0.394CS..EExtended strand (participates in β ladder)trans-77.7150.1179.7-74.2-24.3000112.9I181 V238 T239 Y243 K267I181-N241 PolarHBondContact N-O 3.46Å; V238-N241 WeakPolarHBondContact CB-ND2 3.25Å; V238-N241 WeakPolarHBondContact CG1-ND2 3.42Å; T239-N241 VanDerWaalsContact C-N 3.31Å; T239-N241 PolarHBondContact O-N 2.89Å; N241-Y243 HydrophobicContact CB-CD2 4.13Å; N241-Y243 HydrophobicContact CB-CE2 3.39Å; N241-Y243 PolarHBondContact ND2-OH 3.02Å; N241-K267 WeakPolarHBondContact OD1-CE 3.45Å; N241-K267 PolarHBondContact OD1-NZ 2.94Å
242Y87.9Confident66.4Low10 Ų1083.1 Ų83.14%0.03942%0.417CS..EExtended strand (participates in β ladder)trans-97.6133.2166.6-166.8-85.6000109.6I162 I181 H183 P270I162-Y242 HydrophobicContact CD1-CE2 4.01Å; I162-Y242 HydrophobicContact CG1-CE2 4.36Å; I162-Y242 HydrophobicContact CG2-CD2 4.49Å; I181-Y242 HydrophobicContact CB-CD2 4.05Å; I181-Y242 HydrophobicContact CG2-CD2 3.48Å; I181-Y242 VanDerWaalsContact CG2-CD2 3.48Å; I181-Y242 HydrophobicContact CG2-CE2 3.77Å; I181-Y242 HydrophobicContact CG2-CG 4.47Å; I181-Y242 CarbonylContact O-C 3.12Å; I181-Y242 WeakPolarHBondContact O-CA 3.49Å; H183-Y242 HydrophobicContact CB-CE1 3.97Å; Y242-P270 HydrophobicContact CD2-CB 4.09Å; Y242-P270 HydrophobicContact CD2-CG 4.04Å; Y242-P270 HydrophobicContact CE2-CB 4.2Å; Y242-P270 HydrophobicContact CG-CB 4.39Å; Y242-P270 HydrophobicContact CG-CG 4.15Å
243Y85.8Confident63.8Low6 Ų687 Ų872%0.02445%0.451CS..EExtended strand (participates in β ladder)trans-124.8134.7-176.9-68.5-83.1000111.5I181 H183 T225 C235 N241 A265I181-Y243 PolarHBondContact O-N 3.39Å; H183-Y243 PolarHBondContact N-O 2.78Å; T225-Y243 WeakPolarHBondContact CG2-O 3.47Å; C235-Y243 VanDerWaalsContact SG-CE1 3.57Å; N241-Y243 HydrophobicContact CB-CD2 4.13Å; N241-Y243 HydrophobicContact CB-CE2 3.39Å; N241-Y243 PolarHBondContact ND2-OH 3.02Å; Y243-A265 HydrophobicContact CD1-CB 4.31Å
244E76.7Confident61.1Low21 Ų2188.5 Ų88.510%0.09846%0.458CS..EExtended strand (participates in β ladder)trans-140123.2171.2179.9154.8-15100110.3R132 H183 K266R132-E244 IonicContact NH2-OE2 3.81Å; R132-E244 PolarHBondContact NH2-OE2 2.83Å; H183-E244 HydrophobicContact CB-CB 4.19Å; H183-E244 HydrophobicContact CB-CG 4.33Å; H183-E244 IonicContact CE1-OE1 3.5Å; H183-E244 IonicContact CG-OE1 3.95Å; H183-E244 VanDerWaalsContact ND1-CD 3.3Å; H183-E244 IonicContact ND1-OE1 2.91Å; H183-E244 PolarHBondContact ND1-OE1 2.67Å; H183-E244 IonicContact ND1-OE2 3.25Å; E244-K266 PolarHBondContact N-O 2.81Å; E244-K266 PolarHBondContact O-N 2.63Å
245L65.5Low58.4Low20 Ų2093.8 Ų93.811%0.10548%0.475CS..  trans-77.6122.9168.6-82.8168000108.9R217 Q224 A265R217-L245 PolarHBondContact NH1-O 2.85Å; R217-L245 PolarHBondContact NH2-O 3.46Å; Q224-L245 HydrophobicContact CB-CD1 3.54Å; L245-A265 HydrophobicContact CD2-CB 3.89Å; L245-A265 HydrophobicContact CG-CB 4.09Å
246V51Low55.6Low91 Ų91101.6 Ų101.655%0.55252%0.515SS*.  trans-99.5103.4178.6-173.20000110R248V246-R248 PolarHBondContact O-N 3.32Å
247A40.8Very low52.8Low72 Ų72105.7 Ų105.760%0.59554%0.535SS*.  trans-77111.9171.200000109.8R217 A249R217-A247 VanDerWaalsContact NH2-N 3.18Å; A247-A249 PolarHBondContact O-N 3.46Å
248R29.8Very low50Low242 Ų242106.8 Ų106.891%0.91355%0.547SS*.  trans-69.9111.3166.9-117-178.1176.1176.5-2.4108.1V246 R250V246-R248 PolarHBondContact O-N 3.32Å; R248-R250 PolarHBondContact O-N 3.21Å
249A25.8Very low47.1Very low98 Ų98109.1 Ų109.181%0.8156%0.562SS**PPolyproline II helixtrans-61.1118.2170.300000109.4A247A247-A249 PolarHBondContact O-N 3.46Å
250R26.7Very low44.2Very low241 Ų241113.1 Ų113.191%0.90958%0.581SS**PPolyproline II helixtrans-100.9116.9160.1-93.1-173.5169.9176.7-4107.6R248R248-R250 PolarHBondContact O-N 3.21Å
251L24.7Very low41.2Very low152 Ų152121.1 Ų121.180%0.79661%0.612SS**PPolyproline II helixtrans-62141.3162.5-81.2121.7000109.4
252Y25.8Very low38.5Very low218 Ų218126.5 Ų126.586%0.85564%0.64SS**  trans63.1111.8174.6-65.6-85.5000118.8
253A25.9Very low35.8Very low102 Ų102136.5 Ų136.584%0.84368%0.678SS**  174.4139.9110.100000111.4
254Q28.1Very low33.5Very low172 Ų172142.2 Ų142.280%0.80471%0.708SS**  trans-84.1158.7167.8-68167.8-43.700110.3
255Y27Very low32Very low221 Ų221141.7 Ų141.787%0.86771%0.708SS**  trans56.888.5171.2-62.9-84000118.1
256L24.1Very low31.2Very low163 Ų163147.4 Ų147.485%0.85373%0.732SS**  -175.7151.3121.4-136.665.4000112.4
257T24.9Very low31.4Very low113 Ų113149.9 Ų149.969%0.69374%0.735SS**  trans21.8110.9161.7360000119.7T259T257-T259 PolarHBondContact O-N 2.6Å
258L25.5Very low32.1Very low164 Ų164149.3 Ų149.386%0.85972%0.722SS**  trans-76.168.9179.2-160.796.3000113.9
259T25Very low33.8Very low110 Ų110141.5 Ų141.568%0.67570%0.704SS**  trans-98.982.8171.1-44.10000110.7T257 F261T257-T259 PolarHBondContact O-N 2.6Å; T259-F261 PolarHBondContact O-N 3.11Å
260L29.6Very low36.2Very low123 Ų123137.3 Ų137.364%0.64467%0.669SS**  trans-68.898.3174.7-82.1166.9000110.9L262L260-L262 PolarHBondContact O-N 2.99Å
261F26.2Very low38.9Very low183 Ų183127.5 Ų127.580%0.80363%0.634SS**  trans-6699.6165.9-99.2-89.2000110.4T259 R263T259-F261 PolarHBondContact O-N 3.11Å; F261-R263 PolarHBondContact O-N 3.39Å
262L32.4Very low41.9Very low135 Ų135123.7 Ų123.771%0.70762%0.624SS**  trans-64.4100.9166-72.3166.5000109.1L260L260-L262 PolarHBondContact O-N 2.99Å
263R30.9Very low44.9Very low220 Ų220113.6 Ų113.683%0.8359%0.586SS**  trans-116.4106.9166.8-108.1-176.8172.6179.9-1.7110.4F261F261-R263 PolarHBondContact O-N 3.39Å
264N37.5Very low48Very low125 Ų125108.7 Ų108.767%0.66855%0.546SS*.  trans43.5108.6163.1-55.914.5000116.5K266N264-K266 PolarHBondContact O-N 3.44Å
265A45.3Very low50.9Low11 Ų11106.3 Ų106.39%0.09153%0.53CS..  trans-54.4127.5152.300000108Y228 Y243 L245Y228-A265 HydrophobicContact CD1-CB 3.98Å; Y228-A265 HydrophobicContact CE1-CB 3.78Å; Y243-A265 HydrophobicContact CD1-CB 4.31Å; L245-A265 HydrophobicContact CD2-CB 3.89Å; L245-A265 HydrophobicContact CG-CB 4.09Å
266K49Very low54.1Low140 Ų14099.3 Ų99.361%0.60951%0.507SS*.BIsolated β-bridgetrans-74.5135174.4-90.7-169.9171.9-171.60107.9E244 N264 D268E244-K266 PolarHBondContact N-O 2.81Å; E244-K266 PolarHBondContact O-N 2.63Å; N264-K266 PolarHBondContact O-N 3.44Å; K266-D268 PolarHBondContact O-N 2.79Å
267K54.3Low57.3Low142 Ų14294.2 Ų94.262%0.61748%0.481SS*.  trans-70.281.3161.2-172.6175.3-176.4164.60107.3N241N241-K267 WeakPolarHBondContact OD1-CE 3.45Å; N241-K267 PolarHBondContact OD1-NZ 2.94Å
268D56.9Low60.6Low61 Ų6192.4 Ų92.433%0.32648%0.477SS..PPolyproline II helixtrans-85.7151.9-178.6-146.4-28000110.6K266K266-D268 PolarHBondContact O-N 2.79Å
269C64.1Low63.9Low78 Ų7885 Ų8553%0.52744%0.439SS..PPolyproline II helixtrans-94119-179.7-78.60000110
270P77Confident67.3Low10 Ų1079.8 Ų79.87%0.06541%0.407CS..PPolyproline II helixtrans-65.8167.4167.731.1-34.3000109.8H131 Y242 A274 R275H131-P270 WeakPolarHBondContact NE2-CB 3.46Å; Y242-P270 HydrophobicContact CD2-CB 4.09Å; Y242-P270 HydrophobicContact CD2-CG 4.04Å; Y242-P270 HydrophobicContact CE2-CB 4.2Å; Y242-P270 HydrophobicContact CG-CB 4.39Å; Y242-P270 HydrophobicContact CG-CG 4.15Å; P270-A274 HydrophobicContact CB-CB 3.8Å; P270-A274 HydrophobicContact CG-CB 4.26Å; P270-R275 HydrophobicContact CG-CG 3.97Å; P270-R275 PolarHBondContact O-NE 2.95Å
271N83.2Confident70.5Confident34 Ų3478.9 Ų78.918%0.18240%0.398CS..PPolyproline II helixtrans-62.9172-17378.6-10.2000112.5R132 Y134 A273 A274 R275R132-N271 WeakPolarHBondContact CA-ND2 3.45Å; R132-N271 PolarHBondContact O-ND2 3.18Å; Y134-N271 PolarHBondContact O-ND2 2.82Å; N271-A273 VanDerWaalsContact C-N 3.28Å; N271-A273 PolarHBondContact O-N 3.4Å; N271-A273 WeakPolarHBondContact OD1-CB 2.95Å; N271-A273 PolarHBondContact OD1-N 3.07Å; N271-A274 PolarHBondContact O-N 2.85Å; N271-A274 WeakPolarHBondContact OD1-CB 3.38Å; N271-A274 PolarHBondContact OD1-N 2.94Å; N271-R275 PolarHBondContact O-N 2.92Å
272A86.5Confident73.8Confident72 Ų7276 Ų7660%0.59538%0.382SS*.SBendtrans-56.9-42.3-177.800000112.4A274 R275 D276A272-A274 VanDerWaalsContact C-N 3.35Å; A272-A274 PolarHBondContact O-N 3.39Å; A272-R275 CarbonylContact O-C 3.57Å; A272-R275 PolarHBondContact O-N 2.8Å; A272-D276 PolarHBondContact O-N 3.43Å
273A90.6Very high76.9Confident6 Ų669.7 Ų69.75%0.0535%0.349CS..G310 helixtrans-55.3-46.717700000112.7Y134 S135 L159 N271 R275 D276Y134-A273 VanDerWaalsContact O-CB 3.27Å; Y134-A273 WeakPolarHBondContact O-CB 3.32Å; S135-A273 VanDerWaalsContact O-CB 3.31Å; S135-A273 WeakPolarHBondContact O-CB 3.45Å; L159-A273 HydrophobicContact CD1-CB 4.1Å; L159-A273 HydrophobicContact CD2-CB 4.15Å; N271-A273 VanDerWaalsContact C-N 3.28Å; N271-A273 PolarHBondContact O-N 3.4Å; N271-A273 WeakPolarHBondContact OD1-CB 2.95Å; N271-A273 PolarHBondContact OD1-N 3.07Å; A273-R275 PolarHBondContact O-N 3.13Å; A273-D276 PolarHBondContact O-N 2.87Å
274A89.4Confident79.9Confident0 Ų060.6 Ų60.60%032%0.315CS..G310 helixtrans-75.61.1178.900000114.3L159 I162 R166 P270 N271 A272L159-A274 HydrophobicContact CD1-CB 3.66Å; I162-A274 HydrophobicContact CG2-CB 3.96Å; R166-A274 WeakPolarHBondContact CD-O 3.23Å; P270-A274 HydrophobicContact CB-CB 3.8Å; P270-A274 HydrophobicContact CG-CB 4.26Å; N271-A274 PolarHBondContact O-N 2.85Å; N271-A274 WeakPolarHBondContact OD1-CB 3.38Å; N271-A274 PolarHBondContact OD1-N 2.94Å; A272-A274 VanDerWaalsContact C-N 3.35Å; A272-A274 PolarHBondContact O-N 3.39Å
275R90.2Very high82.5Confident122 Ų12257.5 Ų57.546%0.4630%0.298SS..G310 helixtrans-115.43.5173.3-66.1-174.4-71.91323.2112.9P270 N271 A272 A273 D277P270-R275 HydrophobicContact CG-CG 3.97Å; P270-R275 PolarHBondContact O-NE 2.95Å; N271-R275 PolarHBondContact O-N 2.92Å; A272-R275 CarbonylContact O-C 3.57Å; A272-R275 PolarHBondContact O-N 2.8Å; A273-R275 PolarHBondContact O-N 3.13Å; R275-D277 PolarHBondContact O-N 3.46Å; R275-D277 VanDerWaalsContact O-N 3.14Å
276D93.7Very high84.7Confident73 Ų7358.8 Ų58.839%0.3930%0.303SS..  trans-74.5100.8175.6-175.8-14.3000110.3L163 A272 A273 A278 A279 A280L163-D276 WeakPolarHBondContact CD2-O 3.39Å; A272-D276 PolarHBondContact O-N 3.43Å; A273-D276 PolarHBondContact O-N 2.87Å; D276-A278 VanDerWaalsContact C-N 3.3Å; D276-A278 PolarHBondContact O-N 3.1Å; D276-A278 WeakPolarHBondContact OD1-CA 3.36Å; D276-A278 WeakPolarHBondContact OD1-CB 3.49Å; D276-A278 PolarHBondContact OD1-N 3Å; D276-A279 HydrophobicContact CB-CB 3.82Å; D276-A279 VanDerWaalsContact CG-CB 3.42Å; D276-A279 PolarHBondContact O-N 2.88Å; D276-A279 PolarHBondContact OD1-N 3.42Å; D276-A279 WeakPolarHBondContact OD2-CB 3.29Å; D276-A280 WeakPolarHBondContact O-CB 3.17Å; D276-A280 PolarHBondContact O-N 3.19Å
277D92.1Very high86.8Confident57 Ų5752.1 Ų52.131%0.30527%0.274SS..Hα-helixtrans-71.9-22.8-179.9-73.4-13.7000113.1R166 K170 R275 K281R166-D277 IonicContact CZ-OD1 3.74Å; R166-D277 IonicContact NE-OD1 3.96Å; R166-D277 PolarHBondContact NE-OD1 2.92Å; R166-D277 IonicContact NH2-OD1 2.65Å; R166-D277 PolarHBondContact NH2-OD1 2.86Å; R166-D277 IonicContact NH2-OD2 3.27Å; K170-D277 WeakPolarHBondContact CE-OD2 3.4Å; K170-D277 IonicContact NZ-OD1 2.7Å; K170-D277 IonicContact NZ-OD2 3.79Å; K170-D277 PolarHBondContact NZ-OD2 3Å; R275-D277 PolarHBondContact O-N 3.46Å; R275-D277 VanDerWaalsContact O-N 3.14Å; D277-K281 PolarHBondContact O-N 3.5Å; D277-K281 VanDerWaalsContact O-N 3.09Å
278A94.4Very high88.4Confident74 Ų7447.7 Ų47.761%0.61226%0.26SS*.Hα-helixtrans-75.4-41.7174.100000110.3D276 K281 R282D276-A278 VanDerWaalsContact C-N 3.3Å; D276-A278 PolarHBondContact O-N 3.1Å; D276-A278 WeakPolarHBondContact OD1-CA 3.36Å; D276-A278 WeakPolarHBondContact OD1-CB 3.49Å; D276-A278 PolarHBondContact OD1-N 3Å; A278-K281 PolarHBondContact O-N 2.76Å; A278-R282 WeakPolarHBondContact O-CB 3.48Å; A278-R282 PolarHBondContact O-N 2.83Å
279A94.9Very high89.9Confident8 Ų851.3 Ų51.37%0.06628%0.275CS..Hα-helixtrans-63.2-39.6169.300000111.8F139 D276 K281 R282 L283F139-A279 HydrophobicContact CE2-CB 4Å; F139-A279 HydrophobicContact CZ-CB 4Å; D276-A279 HydrophobicContact CB-CB 3.82Å; D276-A279 VanDerWaalsContact CG-CB 3.42Å; D276-A279 PolarHBondContact O-N 2.88Å; D276-A279 PolarHBondContact OD1-N 3.42Å; D276-A279 WeakPolarHBondContact OD2-CB 3.29Å; A279-K281 PolarHBondContact O-N 3.26Å; A279-R282 PolarHBondContact O-N 3.24Å; A279-L283 WeakPolarHBondContact O-CB 3.22Å; A279-L283 PolarHBondContact O-N 3.42Å
280A95.6Very high91Very high1 Ų149.9 Ų49.91%0.00826%0.262CS..Hα-helixtrans-59.6-46.8176.300000112L163 E167 D276 W284L163-A280 HydrophobicContact CB-CB 4.2Å; L163-A280 HydrophobicContact CD2-CB 3.92Å; E167-A280 HydrophobicContact CB-CB 4.12Å; D276-A280 WeakPolarHBondContact O-CB 3.17Å; D276-A280 PolarHBondContact O-N 3.19Å; A280-W284 PolarHBondContact O-N 2.97Å
281K95.9Very high91.2Very high105 Ų10550.4 Ų50.446%0.45726%0.263SS..Hα-helixtrans-64.4-47.4174.7-174.8-175.9179.4-61.40112.2D277 A278 A279 L283 W284 D285D277-K281 PolarHBondContact O-N 3.5Å; D277-K281 VanDerWaalsContact O-N 3.09Å; A278-K281 PolarHBondContact O-N 2.76Å; A279-K281 PolarHBondContact O-N 3.26Å; K281-L283 VanDerWaalsContact C-N 3.33Å; K281-L283 PolarHBondContact O-N 3.18Å; K281-W284 WeakPolarHBondContact O-CB 3.26Å; K281-W284 PolarHBondContact O-N 2.8Å; K281-D285 IonicContact NZ-OD2 3.69Å; K281-D285 PolarHBondContact NZ-OD2 3Å; K281-D285 VanDerWaalsContact O-CG 3.26Å; K281-D285 PolarHBondContact O-N 2.81Å
282R96.9Very high90.5Very high122 Ų12252.1 Ų52.146%0.4628%0.278SS..Hα-helixtrans-60.1-42.7178.7-176.7179.7177.6-167.2-3.3111.5F139 A278 A279 D285 I286F139-R282 HydrophobicContact CD1-CG 4.06Å; F139-R282 HydrophobicContact CE1-CB 4.04Å; F139-R282 HydrophobicContact CE1-CG 3.72Å; F139-R282 HydrophobicContact CZ-CB 3.93Å; F139-R282 HydrophobicContact CZ-CG 3.98Å; A278-R282 WeakPolarHBondContact O-CB 3.48Å; A278-R282 PolarHBondContact O-N 2.83Å; A279-R282 PolarHBondContact O-N 3.24Å; R282-D285 PolarHBondContact O-N 3.38Å; R282-I286 HydrophobicContact CG-CD1 3.8Å; R282-I286 WeakPolarHBondContact O-CB 3.29Å; R282-I286 WeakPolarHBondContact O-CG1 3.45Å; R282-I286 PolarHBondContact O-N 3.12Å
283L96.3Very high88.8Confident2 Ų253 Ų531%0.0127%0.273CS..Hα-helixtrans-63.2-43.1176.1177.564.8000111.4F97 F139 L142 C160 L163 A279 K281 S287F97-L283 HydrophobicContact CZ-CD1 4.49Å; F139-L283 HydrophobicContact CE1-CB 3.99Å; F139-L283 HydrophobicContact CZ-CB 4.27Å; L142-L283 HydrophobicContact CD2-CD1 4.18Å; C160-L283 HydrophobicContact CB-CD1 4.47Å; C160-L283 HydrophobicContact CB-CD2 3.74Å; L163-L283 HydrophobicContact CB-CD2 3.93Å; L163-L283 HydrophobicContact CD1-CD2 4.44Å; A279-L283 WeakPolarHBondContact O-CB 3.22Å; A279-L283 PolarHBondContact O-N 3.42Å; K281-L283 VanDerWaalsContact C-N 3.33Å; K281-L283 PolarHBondContact O-N 3.18Å; L283-S287 WeakPolarHBondContact O-CB 3.36Å; L283-S287 PolarHBondContact O-N 3.49Å; L283-S287 PolarHBondContact O-OG 2.62Å
284W94.6Very high86.5Confident30 Ų3055 Ų5511%0.11429%0.286CS..Hα-helixtrans-59.8-51.2174.9-179-67.5000111.5M105 F164 E167 L168 R171 A280 K281 I286 S287 C288M105-W284 HydrophobicContact CE-CD2 3.92Å; M105-W284 HydrophobicContact CE-CE3 4.39Å; M105-W284 HydrophobicContact CE-CG 4.18Å; M105-W284 HydrophobicContact CE-CZ2 4.23Å; F164-W284 AromaticContact CD2-CE3 3.98Å; F164-W284 HydrophobicContact CD2-CE3 3.98Å; F164-W284 AromaticContact CD2-CZ3 3.83Å; F164-W284 HydrophobicContact CD2-CZ3 3.83Å; F164-W284 HydrophobicContact CE2-CE3 4.19Å; F164-W284 HydrophobicContact CE2-CH2 4.25Å; F164-W284 AromaticContact CE2-CZ3 3.6Å; F164-W284 HydrophobicContact CE2-CZ3 3.6Å; E167-W284 HydrophobicContact CB-CE3 4.03Å; E167-W284 HydrophobicContact CG-CB 3.78Å; E167-W284 HydrophobicContact CG-CD2 3.93Å; E167-W284 HydrophobicContact CG-CE3 3.66Å; E167-W284 HydrophobicContact CG-CG 3.99Å; L168-W284 HydrophobicContact CB-CZ3 3.91Å; L168-W284 HydrophobicContact CD1-CH2 3.67Å; L168-W284 HydrophobicContact CD1-CZ3 3.81Å; L168-W284 HydrophobicContact CG-CZ3 4.49Å; R171-W284 VanDerWaalsContact NH1-CD1 3.3Å; R171-W284 VanDerWaalsContact NH1-NE1 3.13Å; A280-W284 PolarHBondContact O-N 2.97Å; K281-W284 WeakPolarHBondContact O-CB 3.26Å; K281-W284 PolarHBondContact O-N 2.8Å; W284-I286 PolarHBondContact O-N 3.12Å; W284-S287 PolarHBondContact O-N 2.91Å; W284-S287 VanDerWaalsContact O-N 3.15Å; W284-C288 PolarHBondContact NE1-SG 3.18Å; W284-C288 PolarHBondContact O-N 2.87Å
285D91.6Very high84.3Confident59 Ų5959.7 Ų59.732%0.31632%0.317SS..Hα-helixtrans-64.3-42.5-174.3-62.3-19.9000110.8R171 K281 R282 C288 E289R171-D285 IonicContact CZ-OD1 3.13Å; R171-D285 IonicContact NH1-OD1 3.21Å; R171-D285 IonicContact NH2-OD1 2.71Å; R171-D285 PolarHBondContact NH2-OD1 2.9Å; K281-D285 IonicContact NZ-OD2 3.69Å; K281-D285 PolarHBondContact NZ-OD2 3Å; K281-D285 VanDerWaalsContact O-CG 3.26Å; K281-D285 PolarHBondContact O-N 2.81Å; R282-D285 PolarHBondContact O-N 3.38Å; D285-C288 WeakPolarHBondContact O-CB 3.23Å; D285-C288 PolarHBondContact O-N 3.06Å; D285-E289 PolarHBondContact O-N 2.94Å
286I92.1Very high82.1Confident38 Ų3860 Ų6020%0.19533%0.327CS..Hα-helixtrans-65.3-40.6172.4-65.6168.2000111.6F139 L142 R282 W284 C288 E289 M290F139-I286 HydrophobicContact CD1-CD1 3.76Å; F139-I286 HydrophobicContact CE1-CD1 4.24Å; L142-I286 HydrophobicContact CD1-CG2 3.69Å; R282-I286 HydrophobicContact CG-CD1 3.8Å; R282-I286 WeakPolarHBondContact O-CB 3.29Å; R282-I286 WeakPolarHBondContact O-CG1 3.45Å; R282-I286 PolarHBondContact O-N 3.12Å; W284-I286 PolarHBondContact O-N 3.12Å; I286-C288 VanDerWaalsContact C-N 3.29Å; I286-C288 PolarHBondContact O-N 3.18Å; I286-E289 WeakPolarHBondContact O-CB 3.49Å; I286-E289 PolarHBondContact O-N 3.12Å; I286-E289 VanDerWaalsContact O-N 3.11Å; I286-M290 HydrophobicContact CG2-CG 4.18Å; I286-M290 HydrophobicContact CG2-SD 3.99Å; I286-M290 VanDerWaalsContact O-CG 3.29Å; I286-M290 WeakPolarHBondContact O-CG 3.45Å; I286-M290 PolarHBondContact O-N 3.45Å
287S93.1Very high79.7Confident0 Ų061.2 Ų61.20%033%0.333CS..Hα-helixtrans-65.9-34.7178.5-58.40000111.7H101 M105 L283 W284 Q291H101-S287 PolarHBondContact NE2-OG 2.94Å; M105-S287 WeakPolarHBondContact SD-CB 3.37Å; L283-S287 WeakPolarHBondContact O-CB 3.36Å; L283-S287 PolarHBondContact O-N 3.49Å; L283-S287 PolarHBondContact O-OG 2.62Å; W284-S287 PolarHBondContact O-N 2.91Å; W284-S287 VanDerWaalsContact O-N 3.15Å; S287-Q291 VanDerWaalsContact O-CB 3.32Å; S287-Q291 WeakPolarHBondContact O-CB 3.4Å; S287-Q291 VanDerWaalsContact O-CG 3.24Å; S287-Q291 WeakPolarHBondContact O-CG 3.34Å; S287-Q291 PolarHBondContact O-N 3.28Å
288C88.5Confident77.4Confident49 Ų4965.8 Ų65.833%0.33135%0.346SS..Hα-helixtrans-63.3-44.6168.8-850000111.5M105 W284 D285 I286 Q291 S292M105-C288 HydrophobicContact CE-CB 4.5Å; M105-C288 WeakPolarHBondContact CE-SG 2.9Å; W284-C288 PolarHBondContact NE1-SG 3.18Å; W284-C288 PolarHBondContact O-N 2.87Å; D285-C288 WeakPolarHBondContact O-CB 3.23Å; D285-C288 PolarHBondContact O-N 3.06Å; I286-C288 VanDerWaalsContact C-N 3.29Å; I286-C288 PolarHBondContact O-N 3.18Å; C288-Q291 CarbonylContact O-C 3.57Å; C288-Q291 PolarHBondContact O-N 3.39Å; C288-S292 WeakPolarHBondContact O-CB 3.38Å; C288-S292 PolarHBondContact O-N 2.9Å; C288-S292 PolarHBondContact O-OG 3.08Å
289E87Confident75.2Confident137 Ų13765.6 Ų65.664%0.6434%0.337SS*.Hα-helixtrans-62-48.8177.9-173174.6-169.900111.8D285 I286 Q291 S292D285-E289 PolarHBondContact O-N 2.94Å; I286-E289 WeakPolarHBondContact O-CB 3.49Å; I286-E289 PolarHBondContact O-N 3.12Å; I286-E289 VanDerWaalsContact O-N 3.11Å; E289-Q291 PolarHBondContact O-N 3.5Å; E289-S292 PolarHBondContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 3.08Å
290M87.4Confident72.8Confident48 Ų4873.1 Ų73.124%0.23637%0.365CS..Hα-helixtrans-58.5-32.1173.9-66.6176.57800112.8F93 F97 L102 L142 M143 I286F93-M290 HydrophobicContact CD1-CE 3.94Å; F93-M290 HydrophobicContact CE1-CB 4.32Å; F93-M290 HydrophobicContact CE1-CE 4.09Å; F93-M290 VanDerWaalsContact CZ-O 3.31Å; F93-M290 WeakPolarHBondContact CZ-O 3.5Å; F97-M290 HydrophobicContact CE1-CE 4.01Å; F97-M290 HydrophobicContact CE1-SD 4.17Å; L102-M290 HydrophobicContact CD1-CE 4.02Å; L142-M290 HydrophobicContact CD1-SD 4.34Å; M143-M290 HydrophobicContact CE-CE 3.85Å; M143-M290 HydrophobicContact SD-CE 3.45Å; M143-M290 WeakPolarHBondContact SD-CE 3.49Å; I286-M290 HydrophobicContact CG2-CG 4.18Å; I286-M290 HydrophobicContact CG2-SD 3.99Å; I286-M290 VanDerWaalsContact O-CG 3.29Å; I286-M290 WeakPolarHBondContact O-CG 3.45Å; I286-M290 PolarHBondContact O-N 3.45Å
291Q81.7Confident70.4Confident22 Ų2279 Ų7910%0.10339%0.387CS..Hα-helixtrans-88.4-27.8179.7-73.3-174.228.900114.3K56 L102 Y106 S287 C288 E289 D293K56-Q291 PolarHBondContact NZ-O 3.08Å; L102-Q291 HydrophobicContact CD2-CG 4.4Å; L102-Q291 PolarHBondContact O-NE2 3.23Å; Y106-Q291 VanDerWaalsContact CB-OE1 3.3Å; S287-Q291 VanDerWaalsContact O-CB 3.32Å; S287-Q291 WeakPolarHBondContact O-CB 3.4Å; S287-Q291 VanDerWaalsContact O-CG 3.24Å; S287-Q291 WeakPolarHBondContact O-CG 3.34Å; S287-Q291 PolarHBondContact O-N 3.28Å; C288-Q291 CarbonylContact O-C 3.57Å; C288-Q291 PolarHBondContact O-N 3.39Å; E289-Q291 PolarHBondContact O-N 3.5Å; Q291-D293 PolarHBondContact O-N 3.18Å
292S67.4Low68Low69 Ų6976.7 Ų76.748%0.48339%0.387SS..SBendtrans-62.4132.417265.90000109.2C288 E289 S294C288-S292 WeakPolarHBondContact O-CB 3.38Å; C288-S292 PolarHBondContact O-N 2.9Å; C288-S292 PolarHBondContact O-OG 3.08Å; E289-S292 PolarHBondContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 3.08Å; S292-S294 PolarHBondContact O-N 3.36Å
293D51.8Low65.6Low92 Ų9276.6 Ų76.649%0.49239%0.393SS..  trans-65.186.9174.3-87.7-75.7000109.6Q291 P295 R298Q291-D293 PolarHBondContact O-N 3.18Å; D293-P295 WeakPolarHBondContact O-CD 3.27Å; D293-R298 VanDerWaalsContact CG-CZ 3.44Å; D293-R298 IonicContact OD1-CZ 3.92Å; D293-R298 IonicContact OD1-NE 3.81Å; D293-R298 PolarHBondContact OD1-NE 3.26Å; D293-R298 IonicContact OD1-NH2 2.76Å; D293-R298 PolarHBondContact OD1-NH2 3.35Å; D293-R298 VanDerWaalsContact OD1-NH2 3.09Å; D293-R298 IonicContact OD2-CZ 2.71Å; D293-R298 IonicContact OD2-NE 2.68Å; D293-R298 IonicContact OD2-NH2 2.9Å; D293-R298 PolarHBondContact OD2-NH2 3.47Å
294S42.4Very low63.3Low47 Ų4784.9 Ų84.933%0.32943%0.426SS..  trans-49.8116.1170.7167.50000108.1S292 L296 L297 R298S292-S294 PolarHBondContact O-N 3.36Å; S294-L296 PolarHBondContact O-N 3Å; S294-L296 WeakPolarHBondContact OG-CB 3.07Å; S294-L296 PolarHBondContact OG-N 3.17Å; S294-L297 PolarHBondContact O-N 3.03Å; S294-L297 PolarHBondContact OG-N 3.31Å; S294-L297 VanDerWaalsContact OG-N 3.15Å; S294-R298 PolarHBondContact O-N 2.89Å
295P42.7Very low60.9Low99 Ų9991.4 Ų91.464%0.64345%0.451SS*.Hα-helixtrans-57.5-33.2174.6-2434.8000109.5D293 L297 R298 V299D293-P295 WeakPolarHBondContact O-CD 3.27Å; P295-L297 PolarHBondContact O-N 3.37Å; P295-R298 PolarHBondContact O-N 3.29Å; P295-V299 WeakPolarHBondContact O-CA 3.34Å; P295-V299 WeakPolarHBondContact O-CB 3.36Å; P295-V299 WeakPolarHBondContact O-CG2 3.38Å; P295-V299 PolarHBondContact O-N 2.97Å
296L44.2Very low58.6Low128 Ų12893.4 Ų93.467%0.6746%0.462SS*.Hα-helixtrans-63.2-32.1172.7-91.5162.3000113.8S294 V299 Y300S294-L296 PolarHBondContact O-N 3Å; S294-L296 WeakPolarHBondContact OG-CB 3.07Å; S294-L296 PolarHBondContact OG-N 3.17Å; L296-V299 CarbonylContact O-C 3.58Å; L296-Y300 WeakPolarHBondContact O-CA 3.34Å; L296-Y300 VanDerWaalsContact O-CB 3.24Å; L296-Y300 WeakPolarHBondContact O-CB 3.37Å; L296-Y300 PolarHBondContact O-N 2.88Å
297L43.6Very low56.4Low99 Ų9993.7 Ų93.752%0.51847%0.47SS..Hα-helixtrans-84.1-33.1176.8-145.983.6000112.5S294 P295 Y300 R301S294-L297 PolarHBondContact O-N 3.03Å; S294-L297 PolarHBondContact OG-N 3.31Å; S294-L297 VanDerWaalsContact OG-N 3.15Å; P295-L297 PolarHBondContact O-N 3.37Å; L297-Y300 PolarHBondContact O-N 3.28Å; L297-R301 WeakPolarHBondContact O-CB 3.43Å; L297-R301 WeakPolarHBondContact O-CG 3.18Å; L297-R301 PolarHBondContact O-N 3.37Å
298R43.8Very low54.2Low152 Ų15295.9 Ų95.957%0.57449%0.487SS*.Hα-helixtrans-67.9-36.9167.8-74.3-171.8178.8-166.94111.6D293 S294 P295 A302D293-R298 VanDerWaalsContact CG-CZ 3.44Å; D293-R298 IonicContact OD1-CZ 3.92Å; D293-R298 IonicContact OD1-NE 3.81Å; D293-R298 PolarHBondContact OD1-NE 3.26Å; D293-R298 IonicContact OD1-NH2 2.76Å; D293-R298 PolarHBondContact OD1-NH2 3.35Å; D293-R298 VanDerWaalsContact OD1-NH2 3.09Å; D293-R298 IonicContact OD2-CZ 2.71Å; D293-R298 IonicContact OD2-NE 2.68Å; D293-R298 IonicContact OD2-NH2 2.9Å; D293-R298 PolarHBondContact OD2-NH2 3.47Å; S294-R298 PolarHBondContact O-N 2.89Å; P295-R298 PolarHBondContact O-N 3.29Å; R298-A302 WeakPolarHBondContact O-CA 3.32Å; R298-A302 WeakPolarHBondContact O-CB 3.47Å; R298-A302 PolarHBondContact O-N 3.1Å
299V47.1Very low52.2Low70 Ų7097.1 Ų97.142%0.42449%0.493SS..Hα-helixtrans-77.1-28.8172.91710000110.8P295 L296 M303P295-V299 WeakPolarHBondContact O-CA 3.34Å; P295-V299 WeakPolarHBondContact O-CB 3.36Å; P295-V299 WeakPolarHBondContact O-CG2 3.38Å; P295-V299 PolarHBondContact O-N 2.97Å; L296-V299 CarbonylContact O-C 3.58Å; V299-M303 HydrophobicContact CG1-CG 3.79Å; V299-M303 HydrophobicContact CG1-SD 3.42Å; V299-M303 WeakPolarHBondContact CG1-SD 3.16Å; V299-M303 WeakPolarHBondContact O-CA 3.39Å; V299-M303 WeakPolarHBondContact O-CB 3.28Å; V299-M303 WeakPolarHBondContact O-CG 3.45Å; V299-M303 PolarHBondContact O-N 3.4Å
300Y44.8Very low50.1Low167 Ų16795.3 Ų95.366%0.65549%0.488SS*.Hα-helixtrans-69.9-47.4169.4-127.1-96.8000110.3L296 L297 M303 Y304L296-Y300 WeakPolarHBondContact O-CA 3.34Å; L296-Y300 VanDerWaalsContact O-CB 3.24Å; L296-Y300 WeakPolarHBondContact O-CB 3.37Å; L296-Y300 PolarHBondContact O-N 2.88Å; L297-Y300 PolarHBondContact O-N 3.28Å; Y300-M303 PolarHBondContact O-N 3.32Å; Y300-Y304 WeakPolarHBondContact O-CA 3.33Å; Y300-Y304 WeakPolarHBondContact O-CB 3.46Å; Y300-Y304 PolarHBondContact O-N 2.89Å
301R44.7Very low48Very low124 Ų12498.3 Ų98.347%0.46850%0.504SS..Hα-helixtrans-62.5-45.6174.2-73-178.8179.5173.93.2110.7D91 L297 Y304 Y305D91-R301 PolarHBondContact O-NH2 3.25Å; L297-R301 WeakPolarHBondContact O-CB 3.43Å; L297-R301 WeakPolarHBondContact O-CG 3.18Å; L297-R301 PolarHBondContact O-N 3.37Å; R301-Y304 PolarHBondContact O-N 2.91Å; R301-Y305 WeakPolarHBondContact O-CB 3.46Å; R301-Y305 WeakPolarHBondContact O-CD2 3.44Å; R301-Y305 PolarHBondContact O-N 3.08Å
302A45.8Very low46.2Very low56 Ų56100.1 Ų100.146%0.46352%0.523SS..Hα-helixtrans-71.6-31.2178.800000113.5R298 L306R298-A302 WeakPolarHBondContact O-CA 3.32Å; R298-A302 WeakPolarHBondContact O-CB 3.47Å; R298-A302 PolarHBondContact O-N 3.1Å; A302-L306 WeakPolarHBondContact O-CA 3.47Å; A302-L306 WeakPolarHBondContact O-CB 3.37Å; A302-L306 PolarHBondContact O-N 3.24Å
303M46.4Very low44.8Very low120 Ų120102.8 Ų102.859%0.59153%0.531SS*.Hα-helixtrans-80.2-24.6170.7-73176.261.700111.8V299 Y300 A307V299-M303 HydrophobicContact CG1-CG 3.79Å; V299-M303 HydrophobicContact CG1-SD 3.42Å; V299-M303 WeakPolarHBondContact CG1-SD 3.16Å; V299-M303 WeakPolarHBondContact O-CA 3.39Å; V299-M303 WeakPolarHBondContact O-CB 3.28Å; V299-M303 WeakPolarHBondContact O-CG 3.45Å; V299-M303 PolarHBondContact O-N 3.4Å; Y300-M303 PolarHBondContact O-N 3.32Å; M303-A307 WeakPolarHBondContact O-CA 3.36Å; M303-A307 WeakPolarHBondContact O-CB 3.18Å; M303-A307 PolarHBondContact O-N 2.94Å
304Y48.1Very low44.1Very low177 Ų177102.3 Ų102.369%0.69454%0.535SS*.Hα-helixtrans-75.3-40.4171.6-162.5-88.2000109.7Y300 R301 A308Y300-Y304 WeakPolarHBondContact O-CA 3.33Å; Y300-Y304 WeakPolarHBondContact O-CB 3.46Å; Y300-Y304 PolarHBondContact O-N 2.89Å; R301-Y304 PolarHBondContact O-N 2.91Å; Y304-A308 WeakPolarHBondContact O-CB 3.31Å; Y304-A308 PolarHBondContact O-N 3.28Å
305Y45.1Very low43.8Very low167 Ų167106.8 Ų106.866%0.65555%0.549SS*.Hα-helixtrans-68.7-41.6168.6-78.5-62.4000112.3R301 A308 V309R301-Y305 WeakPolarHBondContact O-CB 3.46Å; R301-Y305 WeakPolarHBondContact O-CD2 3.44Å; R301-Y305 PolarHBondContact O-N 3.08Å; Y305-A308 PolarHBondContact O-N 3.02Å; Y305-V309 WeakPolarHBondContact O-CB 3.37Å; Y305-V309 WeakPolarHBondContact O-CG2 3.4Å; Y305-V309 PolarHBondContact O-N 3.05Å
306L43.7Very low43.6Very low101 Ų101108.8 Ų108.853%0.52956%0.559SS.*Hα-helixtrans-76.1-28.9179-165.780.5000111.6A302 L310A302-L306 WeakPolarHBondContact O-CA 3.47Å; A302-L306 WeakPolarHBondContact O-CB 3.37Å; A302-L306 PolarHBondContact O-N 3.24Å; L306-L310 HydrophobicContact CD2-CD1 4.14Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.32Å; L306-L310 WeakPolarHBondContact O-CA 3.29Å; L306-L310 WeakPolarHBondContact O-CB 3.27Å; L306-L310 WeakPolarHBondContact O-CD1 3.49Å; L306-L310 WeakPolarHBondContact O-CG 3.46Å; L306-L310 PolarHBondContact O-N 2.84Å
307A46.1Very low43.6Very low44 Ų44106.6 Ų106.636%0.36455%0.55SS.*Hα-helixtrans-79.2-33.7169.600000111.5M303 V309 L310 L311M303-A307 WeakPolarHBondContact O-CA 3.36Å; M303-A307 WeakPolarHBondContact O-CB 3.18Å; M303-A307 PolarHBondContact O-N 2.94Å; A307-V309 VanDerWaalsContact C-N 3.34Å; A307-L310 PolarHBondContact O-N 3.15Å; A307-L311 HydrophobicContact CB-CD1 4.44Å; A307-L311 VanDerWaalsContact O-CB 3.26Å; A307-L311 WeakPolarHBondContact O-CB 3.44Å; A307-L311 WeakPolarHBondContact O-CD1 3.04Å; A307-L311 PolarHBondContact O-N 2.95Å
308A45.6Very low43.8Very low45 Ų45108.7 Ų108.737%0.37256%0.562SS.*Hα-helixtrans-63.9-41.8168.200000110.8Y304 Y305 A312Y304-A308 WeakPolarHBondContact O-CB 3.31Å; Y304-A308 PolarHBondContact O-N 3.28Å; Y305-A308 PolarHBondContact O-N 3.02Å; A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.14Å
309V47.4Very low44.4Very low76 Ų76105.4 Ų105.446%0.46157%0.568SS.*Hα-helixtrans-71.5-36.6175.3167.40000111.8Y305 A307 A312 L313Y305-V309 WeakPolarHBondContact O-CB 3.37Å; Y305-V309 WeakPolarHBondContact O-CG2 3.4Å; Y305-V309 PolarHBondContact O-N 3.05Å; A307-V309 VanDerWaalsContact C-N 3.34Å; V309-A312 CarbonylContact O-C 3.6Å; V309-A312 PolarHBondContact O-N 3.33Å; V309-L313 HydrophobicContact CG1-CD1 3.63Å; V309-L313 HydrophobicContact CG1-CG 4.28Å; V309-L313 VanDerWaalsContact O-CB 3.22Å; V309-L313 WeakPolarHBondContact O-CB 3.27Å; V309-L313 WeakPolarHBondContact O-CD1 3.4Å; V309-L313 WeakPolarHBondContact O-CG 3.41Å; V309-L313 PolarHBondContact O-N 2.75Å
310L41.9Very low45.6Very low99 Ų99103.7 Ų103.752%0.51856%0.555SS.*Hα-helixtrans-77.4-32.7176.1-75.9166.5000112.6L306 A307 L313 S314L306-L310 HydrophobicContact CD2-CD1 4.14Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.32Å; L306-L310 WeakPolarHBondContact O-CA 3.29Å; L306-L310 WeakPolarHBondContact O-CB 3.27Å; L306-L310 WeakPolarHBondContact O-CD1 3.49Å; L306-L310 WeakPolarHBondContact O-CG 3.46Å; L306-L310 PolarHBondContact O-N 2.84Å; A307-L310 PolarHBondContact O-N 3.15Å; L310-L313 PolarHBondContact O-N 2.94Å; L310-S314 WeakPolarHBondContact O-CB 3.35Å; L310-S314 PolarHBondContact O-N 3.17Å; L310-S314 PolarHBondContact O-OG 2.8Å
311L43.8Very low47.8Very low110 Ų110101.4 Ų101.458%0.57655%0.545SS*.Hα-helixtrans-64.7-44.6165.9-92.395.3000109.8A307 L313 S314 F315A307-L311 HydrophobicContact CB-CD1 4.44Å; A307-L311 VanDerWaalsContact O-CB 3.26Å; A307-L311 WeakPolarHBondContact O-CB 3.44Å; A307-L311 WeakPolarHBondContact O-CD1 3.04Å; A307-L311 PolarHBondContact O-N 2.95Å; L311-L313 VanDerWaalsContact C-N 3.27Å; L311-L313 PolarHBondContact O-N 3.44Å; L311-S314 WeakPolarHBondContact CA-OG 3.43Å; L311-S314 PolarHBondContact O-N 3.44Å; L311-S314 PolarHBondContact O-OG 3.45Å; L311-F315 WeakPolarHBondContact O-CD2 3.34Å; L311-F315 PolarHBondContact O-N 3.04Å
312A44.2Very low50.2Low61 Ų6195.7 Ų95.750%0.50452%0.524SS..Hα-helixtrans-67.5-20.7175.800000114.3A308 V309A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.14Å; V309-A312 CarbonylContact O-C 3.6Å; V309-A312 PolarHBondContact O-N 3.33Å
313L37.8Very low52.6Low125 Ų12593.4 Ų93.465%0.65450%0.504SS*.Hα-helixtrans-94.6-14.9172.6-72.7167.9000113V309 L310 L311V309-L313 HydrophobicContact CG1-CD1 3.63Å; V309-L313 HydrophobicContact CG1-CG 4.28Å; V309-L313 VanDerWaalsContact O-CB 3.22Å; V309-L313 WeakPolarHBondContact O-CB 3.27Å; V309-L313 WeakPolarHBondContact O-CD1 3.4Å; V309-L313 WeakPolarHBondContact O-CG 3.41Å; V309-L313 PolarHBondContact O-N 2.75Å; L310-L313 PolarHBondContact O-N 2.94Å; L311-L313 VanDerWaalsContact C-N 3.27Å; L311-L313 PolarHBondContact O-N 3.44Å
314S36.1Very low55.1Low82 Ų8287.7 Ų87.757%0.57348%0.476SS*.Hα-helixtrans-84.5-12.1175.469.30000113.6L310 L311L310-S314 WeakPolarHBondContact O-CB 3.35Å; L310-S314 PolarHBondContact O-N 3.17Å; L310-S314 PolarHBondContact O-OG 2.8Å; L311-S314 WeakPolarHBondContact CA-OG 3.43Å; L311-S314 PolarHBondContact O-N 3.44Å; L311-S314 PolarHBondContact O-OG 3.45Å
315F37.2Very low57.4Low141 Ų14179.2 Ų79.262%0.61844%0.443SS*.SBendtrans-101.5110.3161.3-66.4-78.2000108.5L311 V317L311-F315 WeakPolarHBondContact O-CD2 3.34Å; L311-F315 PolarHBondContact O-N 3.04Å; F315-V317 HydrophobicContact CB-CG2 4.3Å; F315-V317 PolarHBondContact O-N 3.13Å
316V38.5Very low59.7Low140 Ų14071.4 Ų71.485%0.84841%0.412SS*.  trans-62.798149.5175.40000104.6D318V316-D318 PolarHBondContact O-N 2.9Å
317V44.5Very low62Low82 Ų8266.6 Ų66.650%0.49739%0.387SS..  trans-66104.8176.2176.80000106.3F315 A319 L419F315-V317 HydrophobicContact CB-CG2 4.3Å; F315-V317 PolarHBondContact O-N 3.13Å; V317-A319 PolarHBondContact O-N 2.95Å; V317-L419 HydrophobicContact CG1-CD1 4.32Å
318D48.3Very low64Low143 Ų14364.5 Ų64.577%0.76537%0.37SS*.  trans-48.5130.1158.5-98.8-44.1000106.8V316 E320V316-D318 PolarHBondContact O-N 2.9Å; D318-E320 VanDerWaalsContact C-N 3.27Å; D318-E320 PolarHBondContact O-N 3.45Å
319A55.5Low66Low84 Ų8462.5 Ų62.569%0.69435%0.353SS*.  trans-7081.5-161.900000112.1V317 R321V317-A319 PolarHBondContact O-N 2.95Å; A319-R321 PolarHBondContact O-N 2.72Å
320E71.1Confident67.8Low34 Ų3461.1 Ų61.116%0.15934%0.341CS..PPolyproline II helixtrans-54.4129.6170.2-68.9-171.5172.800108.8D318 D388 V390 L415 Y461D318-E320 VanDerWaalsContact C-N 3.27Å; D318-E320 PolarHBondContact O-N 3.45Å; E320-D388 WeakPolarHBondContact CA-O 3.05Å; E320-V390 HydrophobicContact CB-CG2 4.18Å; E320-V390 HydrophobicContact CG-CG2 4.46Å; E320-V390 WeakPolarHBondContact OE2-CG2 3.37Å; E320-L415 HydrophobicContact CB-CD2 4.45Å; E320-L415 VanDerWaalsContact O-CD1 3.31Å; E320-L415 WeakPolarHBondContact O-CD1 3.33Å; E320-Y461 WeakPolarHBondContact OE1-CE1 3.39Å; E320-Y461 VanDerWaalsContact OE1-CZ 3.28Å; E320-Y461 PolarHBondContact OE1-OH 2.79Å
321R91.4Very high69.8Low118 Ų11862.2 Ų62.245%0.44534%0.339SS..EExtended strand (participates in β ladder)trans-101.2134.1-177.9-65.7172-691276.5108.8A319 D386 D388 L389 V390A319-R321 PolarHBondContact O-N 2.72Å; R321-D386 IonicContact CZ-OD2 3.65Å; R321-D386 IonicContact NH2-OD1 2.75Å; R321-D386 PolarHBondContact NH2-OD1 3.27Å; R321-D386 IonicContact NH2-OD2 3.33Å; R321-D386 PolarHBondContact NH2-OD2 3.07Å; R321-D388 PolarHBondContact N-O 3.06Å; R321-D388 VanDerWaalsContact N-O 3.14Å; R321-L389 HydrophobicContact CB-CD1 4.23Å; R321-V390 PolarHBondContact O-N 2.86Å
322L95.9Very high71.9Confident4 Ų457.8 Ų57.82%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-92.8132.7174.9-171.162.9000111.4V324 L347 V390 L392 E411 I414 L415 I459L322-V324 HydrophobicContact CD2-CG2 4.49Å; L322-V324 HydrophobicContact CG-CG2 4.48Å; L322-L347 HydrophobicContact CD2-CD2 4.07Å; L322-V390 WeakPolarHBondContact CA-O 3.32Å; L322-V390 HydrophobicContact CD1-CB 4.43Å; L322-V390 HydrophobicContact CD1-CG1 4.08Å; L322-L392 HydrophobicContact CD1-CB 3.91Å; L322-E411 HydrophobicContact CB-CB 4.45Å; L322-E411 HydrophobicContact CB-CG 3.69Å; L322-E411 WeakPolarHBondContact CB-OE1 3.16Å; L322-E411 HydrophobicContact CD2-CB 4.27Å; L322-E411 HydrophobicContact CD2-CG 4.29Å; L322-E411 PolarHBondContact N-OE1 3Å; L322-I414 HydrophobicContact CD1-CG2 4.41Å; L322-I414 HydrophobicContact CD2-CB 4.07Å; L322-I414 HydrophobicContact CD2-CD1 4.2Å; L322-I414 HydrophobicContact CD2-CG2 3.75Å; L322-L415 HydrophobicContact CB-CD1 4.37Å; L322-L415 HydrophobicContact CB-CD2 4.36Å; L322-L415 HydrophobicContact CB-CG 4.39Å; L322-L415 HydrophobicContact CD1-CD2 4.26Å; L322-I459 HydrophobicContact CD1-CD1 3.93Å
323L96.9Very high74.2Confident8 Ų855.2 Ų55.24%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-123.8118.3165.6175.261.1000109.6L325 H350 Y379 Y383 L389 V390 V391 L392L323-L325 HydrophobicContact CD1-CD2 4.23Å; L323-L325 HydrophobicContact CD2-CD2 3.94Å; L323-L325 HydrophobicContact CD2-CG 4.41Å; L323-L325 HydrophobicContact CG-CD2 3.84Å; L323-L325 HydrophobicContact CG-CG 4.18Å; L323-H350 HydrophobicContact CD1-CB 4.41Å; L323-Y379 HydrophobicContact CD2-CE1 4.17Å; L323-Y383 HydrophobicContact CD2-CE2 4.2Å; L323-L389 HydrophobicContact CB-CD1 3.88Å; L323-L389 HydrophobicContact CD2-CD2 4.39Å; L323-V390 PolarHBondContact N-O 3.28Å; L323-V391 WeakPolarHBondContact O-CA 3.42Å; L323-L392 PolarHBondContact O-N 3.39Å
324V97.3Very high76.7Confident0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-85.4122.6174.6-172.40000109.5L322 L342 L347 N348 Y349 H350 L392 I394L322-V324 HydrophobicContact CD2-CG2 4.49Å; L322-V324 HydrophobicContact CG-CG2 4.48Å; V324-L342 HydrophobicContact CB-CD2 4.47Å; V324-L342 HydrophobicContact CG1-CD1 4.46Å; V324-L342 HydrophobicContact CG1-CD2 3.97Å; V324-L342 HydrophobicContact CG2-CD2 4.36Å; V324-L347 HydrophobicContact CG2-CB 4.24Å; V324-L347 HydrophobicContact CG2-CD1 4.49Å; V324-N348 PolarHBondContact N-O 3.35Å; V324-Y349 CarbonylContact O-C 3.49Å; V324-Y349 WeakPolarHBondContact O-CA 3.46Å; V324-H350 PolarHBondContact O-N 3.45Å; V324-L392 CarbonylContact C-O 3.56Å; V324-L392 VanDerWaalsContact CA-O 3.3Å; V324-L392 WeakPolarHBondContact CA-O 3.33Å; V324-L392 HydrophobicContact CG1-CD2 4.45Å; V324-L392 HydrophobicContact CG1-CG 4.35Å; V324-L392 HydrophobicContact CG2-CB 4.42Å; V324-L392 HydrophobicContact CG2-CD2 4.16Å; V324-I394 HydrophobicContact CG1-CD1 3.77Å; V324-I394 HydrophobicContact CG1-CG1 3.92Å
325L96.2Very high79.3Confident0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-112137175.5-63.1-175000110.4L323 H350 L376 Y379 L380 V391 L392 F393 I394L323-L325 HydrophobicContact CD1-CD2 4.23Å; L323-L325 HydrophobicContact CD2-CD2 3.94Å; L323-L325 HydrophobicContact CD2-CG 4.41Å; L323-L325 HydrophobicContact CG-CD2 3.84Å; L323-L325 HydrophobicContact CG-CG 4.18Å; L325-H350 HydrophobicContact CD2-CB 3.74Å; L325-L376 HydrophobicContact CB-CD1 4.11Å; L325-L376 HydrophobicContact CD1-CD1 3.5Å; L325-L376 HydrophobicContact CG-CD1 4.46Å; L325-Y379 HydrophobicContact CD1-CD1 3.78Å; L325-Y379 HydrophobicContact CD1-CE1 3.94Å; L325-Y379 HydrophobicContact CD2-CD1 4.12Å; L325-Y379 HydrophobicContact CD2-CE1 3.62Å; L325-Y379 HydrophobicContact CG-CE1 4.47Å; L325-L380 HydrophobicContact CD1-CD2 3.66Å; L325-L380 HydrophobicContact CD1-CG 4.15Å; L325-V391 HydrophobicContact CB-CG1 4.39Å; L325-V391 HydrophobicContact CD1-CG1 3.68Å; L325-V391 HydrophobicContact CG-CG1 3.96Å; L325-L392 PolarHBondContact N-O 3.42Å; L325-F393 HydrophobicContact CB-CD2 4.37Å; L325-F393 WeakPolarHBondContact O-CA 3.28Å; L325-I394 PolarHBondContact O-N 2.63Å
326T94Very high81.9Confident2 Ų241.8 Ų41.81%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-145.3167.7173.5-172.40000109.6H350 V351 L352 I394 D395 Y403T326-H350 PolarHBondContact N-O 3Å; T326-V351 HydrophobicContact CG2-CB 4.41Å; T326-V351 HydrophobicContact CG2-CG1 4.27Å; T326-V351 HydrophobicContact CG2-CG2 3.97Å; T326-L352 PolarHBondContact O-N 3.41Å; T326-I394 WeakPolarHBondContact CA-O 3.44Å; T326-I394 VanDerWaalsContact CB-O 3.24Å; T326-I394 WeakPolarHBondContact CB-O 3.3Å; T326-I394 PolarHBondContact OG1-O 3.25Å; T326-D395 PolarHBondContact OG1-O 3.17Å; T326-Y403 HydrophobicContact CG2-CE1 4.22Å; T326-Y403 WeakPolarHBondContact CG2-OH 3.5Å; T326-Y403 WeakPolarHBondContact OG1-CE1 3.32Å; T326-Y403 PolarHBondContact OG1-OH 3.35Å
327V91.7Very high84.5Confident0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-126.1114.1-174.9-152.70000109.8L352 K372 L375 F393 G396 M397 Y403V327-L352 CarbonylContact C-O 3.58Å; V327-L352 WeakPolarHBondContact CA-O 3.25Å; V327-L352 HydrophobicContact CB-CB 4.5Å; V327-L352 HydrophobicContact CG1-CB 3.96Å; V327-L352 VanDerWaalsContact CG1-O 3.29Å; V327-L352 WeakPolarHBondContact CG1-O 3.23Å; V327-L352 HydrophobicContact CG2-CB 4.47Å; V327-K372 HydrophobicContact CB-CG 4.3Å; V327-K372 HydrophobicContact CG2-CB 4.13Å; V327-K372 HydrophobicContact CG2-CG 4.06Å; V327-L375 HydrophobicContact CG1-CB 4.39Å; V327-L375 HydrophobicContact CG1-CD1 3.47Å; V327-L375 VanDerWaalsContact CG1-CD1 3.47Å; V327-F393 HydrophobicContact CG2-CE2 3.58Å; V327-F393 HydrophobicContact CG2-CZ 3.77Å; V327-G396 CarbonylContact O-C 3.59Å; V327-G396 WeakPolarHBondContact O-CA 3.34Å; V327-M397 HydrophobicContact CB-CE 4.42Å; V327-M397 HydrophobicContact CB-SD 3.69Å; V327-M397 HydrophobicContact CG1-CE 3.42Å; V327-M397 VanDerWaalsContact CG1-CE 3.42Å; V327-M397 HydrophobicContact CG1-SD 3.23Å; V327-M397 WeakPolarHBondContact CG1-SD 3.36Å; V327-M397 WeakPolarHBondContact O-CG 3.39Å; V327-M397 PolarHBondContact O-N 3.21Å; V327-Y403 PolarHBondContact N-OH 3.2Å; V327-Y403 PolarHBondContact O-OH 3.17Å
328A88.4Confident86.8Confident0 Ų032.1 Ų32.10%016%0.162CC..  trans-130.4136.9175.400000108.9F335 V351 L352 G353 L354 Y403A328-F335 HydrophobicContact CB-CD2 4.09Å; A328-F335 HydrophobicContact CB-CE2 4.22Å; A328-V351 HydrophobicContact CB-CG1 3.48Å; A328-V351 VanDerWaalsContact CB-CG1 3.48Å; A328-L352 PolarHBondContact N-O 2.83Å; A328-G353 CarbonylContact O-C 3.51Å; A328-L354 HydrophobicContact CB-CD2 3.96Å; A328-L354 HydrophobicContact CB-CG 4.37Å; A328-L354 WeakPolarHBondContact O-CA 3.47Å; A328-L354 WeakPolarHBondContact O-CG 3.24Å; A328-L354 PolarHBondContact O-N 2.9Å; A328-Y403 HydrophobicContact CB-CE2 3.62Å; A328-Y403 WeakPolarHBondContact CB-OH 3.49Å; A328-Y403 PolarHBondContact N-OH 2.81Å
329T88.1Confident89Confident4 Ų426.2 Ų26.23%0.02513%0.13CC..SBendtrans-92.4-19.2161.162.50000113.4G353 G355 T356 W358 M397 R398T329-G353 WeakPolarHBondContact CA-O 3.38Å; T329-G355 PolarHBondContact O-N 3.22Å; T329-T356 VanDerWaalsContact CB-O 3.25Å; T329-T356 WeakPolarHBondContact CB-O 3.4Å; T329-T356 VanDerWaalsContact CG2-O 3.26Å; T329-T356 WeakPolarHBondContact CG2-O 3.41Å; T329-W358 HydrophobicContact CG2-CB 4.28Å; T329-M397 HydrophobicContact CG2-CE 3.22Å; T329-M397 HydrophobicContact CG2-CG 4.07Å; T329-M397 HydrophobicContact CG2-SD 4.38Å; T329-R398 VanDerWaalsContact CB-NH1 3.3Å; T329-R398 WeakPolarHBondContact OG1-CD 3.28Å; T329-R398 WeakPolarHBondContact OG1-CG 3.32Å; T329-R398 PolarHBondContact OG1-NE 2.8Å; T329-R398 PolarHBondContact OG1-NH1 3.46Å
330E84.3Confident90.8Very high46 Ų4623.7 Ų23.722%0.21510%0.102CC..SBendtrans-148.1154.9-17474.2-166.2177.100110.9T332 R398 N399E330-T332 HydrophobicContact CG-CG2 3.74Å; E330-T332 PolarHBondContact O-N 2.89Å; E330-R398 HydrophobicContact CG-CG 4.02Å; E330-R398 WeakPolarHBondContact OE1-CG 3.15Å; E330-R398 IonicContact OE1-NE 3.28Å; E330-R398 IonicContact OE2-CZ 3.1Å; E330-R398 VanDerWaalsContact OE2-CZ 3.24Å; E330-R398 IonicContact OE2-NE 2.73Å; E330-R398 PolarHBondContact OE2-NE 2.63Å; E330-R398 IonicContact OE2-NH2 2.81Å; E330-R398 PolarHBondContact OE2-NH2 3.22Å; E330-N399 VanDerWaalsContact OE1-CA 3.28Å; E330-N399 WeakPolarHBondContact OE1-CA 3.26Å; E330-N399 PolarHBondContact OE1-N 2.74Å
331R85.7Confident91.9Very high123 Ų12322.1 Ų22.146%0.46410%0.095SC..  trans-88.388179.4-65.2-179.6162.7-94.7-14.6109.9F335 E339 L354R331-F335 HydrophobicContact CB-CD1 3.94Å; R331-F335 HydrophobicContact CB-CE1 4.3Å; R331-F335 HydrophobicContact CG-CD1 3.89Å; R331-F335 HydrophobicContact CG-CE1 3.75Å; R331-E339 IonicContact CZ-OE1 3.61Å; R331-E339 IonicContact CZ-OE2 3.45Å; R331-E339 VanDerWaalsContact NH1-CD 3.31Å; R331-E339 IonicContact NH1-OE1 2.76Å; R331-E339 PolarHBondContact NH1-OE1 2.7Å; R331-E339 IonicContact NH1-OE2 3.64Å; R331-E339 PolarHBondContact NH1-OE2 2.9Å; R331-E339 IonicContact NH2-OE1 3.77Å; R331-E339 PolarHBondContact NH2-OE1 3.42Å; R331-E339 IonicContact NH2-OE2 2.79Å; R331-L354 HydrophobicContact CG-CD2 4.45Å
332T87.8Confident92Very high16 Ų1616.6 Ų16.610%0.0988%0.075CC..  trans-81.5170.417380.80000111.6E330 G334 F335 L336 D809E330-T332 HydrophobicContact CG-CG2 3.74Å; E330-T332 PolarHBondContact O-N 2.89Å; T332-G334 VanDerWaalsContact C-N 3.33Å; T332-G334 PolarHBondContact O-N 3.13Å; T332-G334 PolarHBondContact OG1-N 3.06Å; T332-F335 WeakPolarHBondContact O-CB 3.23Å; T332-F335 PolarHBondContact O-N 3.47Å; T332-F335 VanDerWaalsContact O-N 3.11Å; T332-F335 PolarHBondContact OG1-N 2.75Å; T332-L336 WeakPolarHBondContact O-CG 3.35Å; T332-L336 PolarHBondContact O-N 3.32Å; T332-D809 WeakPolarHBondContact CB-OD2 3.5Å; T332-D809 PolarHBondContact OG1-OD2 3.41Å
333D91Very high91.9Very high7 Ų721.3 Ų21.34%0.03710%0.099CC..Hα-helixtrans-68.6-35.5179.3-62-15.7000111.5F335 L336 R337 P722 R781 D809 Y810 F811D333-F335 VanDerWaalsContact C-N 3.29Å; D333-F335 PolarHBondContact O-N 3.44Å; D333-L336 PolarHBondContact O-N 3.31Å; D333-R337 PolarHBondContact O-N 3.3Å; D333-R337 VanDerWaalsContact O-N 3.1Å; D333-P722 WeakPolarHBondContact OD2-CB 3.35Å; D333-P722 VanDerWaalsContact OD2-CG 3.24Å; D333-P722 WeakPolarHBondContact OD2-CG 3.25Å; D333-R781 IonicContact OD1-CZ 2.72Å; D333-R781 VanDerWaalsContact OD1-CZ 3.29Å; D333-R781 IonicContact OD1-NE 2.62Å; D333-R781 PolarHBondContact OD1-NE 3Å; D333-R781 VanDerWaalsContact OD1-NE 3.09Å; D333-R781 IonicContact OD1-NH2 3.14Å; D333-R781 PolarHBondContact OD1-NH2 3.45Å; D333-R781 IonicContact OD2-NE 2.7Å; D333-R781 PolarHBondContact OD2-NE 2.74Å; D333-D809 WeakPolarHBondContact CB-O 3.4Å; D333-Y810 VanDerWaalsContact OD2-CA 3.3Å; D333-Y810 WeakPolarHBondContact OD2-CA 3.38Å; D333-F811 HydrophobicContact CB-CB 3.98Å; D333-F811 HydrophobicContact CB-CD1 3.93Å; D333-F811 HydrophobicContact CB-CD2 3.67Å; D333-F811 HydrophobicContact CB-CE1 4.36Å; D333-F811 HydrophobicContact CB-CE2 4.13Å; D333-F811 HydrophobicContact CB-CG 3.57Å; D333-F811 HydrophobicContact CB-CZ 4.46Å; D333-F811 WeakPolarHBondContact O-CE2 3.45Å; D333-F811 PolarHBondContact OD2-N 3.33Å
334G90.5Very high91.7Very high0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-58.3-39.716800000112.9T332 R337 T338 Y403 D809T332-G334 VanDerWaalsContact C-N 3.33Å; T332-G334 PolarHBondContact O-N 3.13Å; T332-G334 PolarHBondContact OG1-N 3.06Å; G334-R337 PolarHBondContact O-N 3.11Å; G334-T338 PolarHBondContact O-N 2.78Å; G334-T338 VanDerWaalsContact O-N 3.1Å; G334-T338 PolarHBondContact O-OG1 3.44Å; G334-T338 VanDerWaalsContact O-OG1 3.1Å; G334-Y403 WeakPolarHBondContact O-CB 3.36Å; G334-D809 PolarHBondContact N-OD2 2.88Å
335F90.6Very high91.4Very high2 Ų223.1 Ų23.11%0.00911%0.107CC..Hα-helixtrans-66.1-45.8179.4166.3-94.8000110.3A328 R331 T332 D333 R337 T338 E339 V351 Y403A328-F335 HydrophobicContact CB-CD2 4.09Å; A328-F335 HydrophobicContact CB-CE2 4.22Å; R331-F335 HydrophobicContact CB-CD1 3.94Å; R331-F335 HydrophobicContact CB-CE1 4.3Å; R331-F335 HydrophobicContact CG-CD1 3.89Å; R331-F335 HydrophobicContact CG-CE1 3.75Å; T332-F335 WeakPolarHBondContact O-CB 3.23Å; T332-F335 PolarHBondContact O-N 3.47Å; T332-F335 VanDerWaalsContact O-N 3.11Å; T332-F335 PolarHBondContact OG1-N 2.75Å; D333-F335 VanDerWaalsContact C-N 3.29Å; D333-F335 PolarHBondContact O-N 3.44Å; F335-R337 VanDerWaalsContact C-N 3.28Å; F335-R337 PolarHBondContact O-N 2.87Å; F335-T338 CarbonylContact O-C 3.56Å; F335-T338 PolarHBondContact O-N 2.85Å; F335-E339 HydrophobicContact CE1-CB 4.12Å; F335-E339 VanDerWaalsContact CE1-CD 3.46Å; F335-E339 HydrophobicContact CE1-CG 4.29Å; F335-E339 WeakPolarHBondContact CE1-OE2 3.32Å; F335-E339 HydrophobicContact CZ-CB 4.12Å; F335-E339 HydrophobicContact CZ-CG 4.13Å; F335-E339 WeakPolarHBondContact CZ-OE1 3.43Å; F335-E339 WeakPolarHBondContact O-CB 3.18Å; F335-E339 PolarHBondContact O-N 2.89Å; F335-V351 HydrophobicContact CE2-CG1 4.04Å; F335-V351 HydrophobicContact CE2-CG2 3.95Å; F335-V351 HydrophobicContact CZ-CG2 4.14Å; F335-Y403 HydrophobicContact CB-CD1 4.48Å; F335-Y403 HydrophobicContact CB-CD2 3.64Å; F335-Y403 HydrophobicContact CB-CE2 4.04Å; F335-Y403 HydrophobicContact CB-CG 3.89Å; F335-Y403 HydrophobicContact CD2-CD1 4.27Å; F335-Y403 HydrophobicContact CD2-CD2 4.08Å; F335-Y403 AromaticContact CD2-CE1 3.86Å; F335-Y403 HydrophobicContact CD2-CE1 3.86Å; F335-Y403 AromaticContact CD2-CE2 3.64Å; F335-Y403 HydrophobicContact CD2-CE2 3.64Å; F335-Y403 HydrophobicContact CD2-CG 4.37Å; F335-Y403 AromaticContact CD2-CZ 3.54Å; F335-Y403 HydrophobicContact CG-CD2 4.35Å; F335-Y403 HydrophobicContact CG-CE2 4.27Å; F335-Y403 VanDerWaalsContact N-CB 3.33Å
336L91.8Very high91.3Very high65 Ų6527.8 Ų27.834%0.3414%0.14SC..Hα-helixtrans-61.8-35.5179.3-65.6171.7000111.8T332 D333 R340T332-L336 WeakPolarHBondContact O-CG 3.35Å; T332-L336 PolarHBondContact O-N 3.32Å; D333-L336 PolarHBondContact O-N 3.31Å; L336-R340 WeakPolarHBondContact O-CB 3.33Å; L336-R340 PolarHBondContact O-N 2.63Å
337R93.4Very high91.3Very high17 Ų1728.1 Ų28.16%0.06414%0.142CC..Hα-helixtrans-63.1-46.3170.1177.1-168.859.9-155.4-16.8112D333 G334 F335 R340 S341 Y403 V406 N559 F811D333-R337 PolarHBondContact O-N 3.3Å; D333-R337 VanDerWaalsContact O-N 3.1Å; G334-R337 PolarHBondContact O-N 3.11Å; F335-R337 VanDerWaalsContact C-N 3.28Å; F335-R337 PolarHBondContact O-N 2.87Å; R337-R340 PolarHBondContact O-N 2.9Å; R337-S341 PolarHBondContact O-N 2.92Å; R337-Y403 PolarHBondContact NH2-O 2.84Å; R337-V406 HydrophobicContact CG-CG2 4.16Å; R337-N559 PolarHBondContact NH1-OD1 3.04Å; R337-F811 HydrophobicContact CB-CE2 4.16Å
338T93.9Very high91.5Very high2 Ų232.9 Ų32.91%0.01217%0.167CC..Hα-helixtrans-62.9-48.2178.5-530000110.6G334 F335 R340 S341 L342 I394 Y403 V405G334-T338 PolarHBondContact O-N 2.78Å; G334-T338 VanDerWaalsContact O-N 3.1Å; G334-T338 PolarHBondContact O-OG1 3.44Å; G334-T338 VanDerWaalsContact O-OG1 3.1Å; F335-T338 CarbonylContact O-C 3.56Å; F335-T338 PolarHBondContact O-N 2.85Å; T338-R340 PolarHBondContact O-N 2.96Å; T338-S341 PolarHBondContact O-N 2.88Å; T338-S341 PolarHBondContact O-OG 2.83Å; T338-L342 WeakPolarHBondContact O-CG 3.38Å; T338-L342 PolarHBondContact O-N 2.62Å; T338-I394 HydrophobicContact CG2-CD1 3.95Å; T338-Y403 HydrophobicContact CG2-CD1 4.06Å; T338-Y403 HydrophobicContact CG2-CE1 4.35Å; T338-V405 WeakPolarHBondContact CB-O 3.32Å; T338-V405 HydrophobicContact CG2-CB 4.29Å; T338-V405 PolarHBondContact OG1-O 3.04Å
339E93.4Very high91.8Very high19 Ų1935.7 Ų35.79%0.08918%0.178CC..Hα-helixtrans-56.3-46.5176.5-164.6176.6-13200111.3R331 F335 S341 L342 L343 Y349R331-E339 IonicContact CZ-OE1 3.61Å; R331-E339 IonicContact CZ-OE2 3.45Å; R331-E339 VanDerWaalsContact NH1-CD 3.31Å; R331-E339 IonicContact NH1-OE1 2.76Å; R331-E339 PolarHBondContact NH1-OE1 2.7Å; R331-E339 IonicContact NH1-OE2 3.64Å; R331-E339 PolarHBondContact NH1-OE2 2.9Å; R331-E339 IonicContact NH2-OE1 3.77Å; R331-E339 PolarHBondContact NH2-OE1 3.42Å; R331-E339 IonicContact NH2-OE2 2.79Å; F335-E339 HydrophobicContact CE1-CB 4.12Å; F335-E339 VanDerWaalsContact CE1-CD 3.46Å; F335-E339 HydrophobicContact CE1-CG 4.29Å; F335-E339 WeakPolarHBondContact CE1-OE2 3.32Å; F335-E339 HydrophobicContact CZ-CB 4.12Å; F335-E339 HydrophobicContact CZ-CG 4.13Å; F335-E339 WeakPolarHBondContact CZ-OE1 3.43Å; F335-E339 WeakPolarHBondContact O-CB 3.18Å; F335-E339 PolarHBondContact O-N 2.89Å; E339-S341 VanDerWaalsContact C-N 3.34Å; E339-S341 PolarHBondContact O-N 2.78Å; E339-L342 PolarHBondContact O-N 3.18Å; E339-L343 HydrophobicContact CG-CD1 4.27Å; E339-L343 WeakPolarHBondContact O-CG 3.44Å; E339-L343 PolarHBondContact O-N 2.73Å; E339-Y349 HydrophobicContact CG-CE2 4.07Å; E339-Y349 VanDerWaalsContact CG-OH 3.25Å; E339-Y349 WeakPolarHBondContact CG-OH 3.47Å; E339-Y349 PolarHBondContact OE1-OH 3.27Å
340R93.4Very high92.2Very high30 Ų3039.4 Ų39.411%0.11320%0.195CC..Hα-helixtrans-56.2-46.3172.5-175.4-169.8173.6-84.8-12.2111.9L336 R337 T338 L342 L343 Q344 G566 N567 E580L336-R340 WeakPolarHBondContact O-CB 3.33Å; L336-R340 PolarHBondContact O-N 2.63Å; R337-R340 PolarHBondContact O-N 2.9Å; T338-R340 PolarHBondContact O-N 2.96Å; R340-L342 VanDerWaalsContact C-N 3.28Å; R340-L342 PolarHBondContact O-N 2.81Å; R340-L343 PolarHBondContact O-N 2.96Å; R340-Q344 WeakPolarHBondContact O-CB 3.44Å; R340-Q344 PolarHBondContact O-N 3.47Å; R340-G566 PolarHBondContact NH1-O 3.35Å; R340-N567 PolarHBondContact NH2-O 2.83Å; R340-E580 WeakPolarHBondContact CD-OE2 3.24Å; R340-E580 IonicContact CZ-OE1 3.38Å; R340-E580 IonicContact CZ-OE2 3.04Å; R340-E580 IonicContact NE-OE1 2.98Å; R340-E580 PolarHBondContact NE-OE1 2.78Å; R340-E580 IonicContact NE-OE2 3.64Å; R340-E580 PolarHBondContact NE-OE2 2.9Å; R340-E580 IonicContact NH2-OE1 3.75Å; R340-E580 PolarHBondContact NH2-OE1 2.92Å; R340-E580 IonicContact NH2-OE2 3.54Å
341S93.7Very high92.6Very high2 Ų238.1 Ų38.11%0.01419%0.19CC..Hα-helixtrans-63.7-33.4-17976.60000112.6R337 T338 E339 F345 V407R337-S341 PolarHBondContact O-N 2.92Å; T338-S341 PolarHBondContact O-N 2.88Å; T338-S341 PolarHBondContact O-OG 2.83Å; E339-S341 VanDerWaalsContact C-N 3.34Å; E339-S341 PolarHBondContact O-N 2.78Å; S341-F345 VanDerWaalsContact O-CD2 3.3Å; S341-F345 WeakPolarHBondContact O-CD2 3.21Å; S341-V407 WeakPolarHBondContact CB-O 3.06Å; S341-V407 PolarHBondContact OG-N 3.35Å; S341-V407 VanDerWaalsContact OG-N 3.11Å
342L94.5Very high93Very high2 Ų232.9 Ų32.91%0.0117%0.172CC..Hα-helixtrans-70-45.4173.8-61.9171.9000111.7V324 T338 E339 R340 Q344 F345 S346 L347 Y349 I394 V407V324-L342 HydrophobicContact CB-CD2 4.47Å; V324-L342 HydrophobicContact CG1-CD1 4.46Å; V324-L342 HydrophobicContact CG1-CD2 3.97Å; V324-L342 HydrophobicContact CG2-CD2 4.36Å; T338-L342 WeakPolarHBondContact O-CG 3.38Å; T338-L342 PolarHBondContact O-N 2.62Å; E339-L342 PolarHBondContact O-N 3.18Å; R340-L342 VanDerWaalsContact C-N 3.28Å; R340-L342 PolarHBondContact O-N 2.81Å; L342-Q344 PolarHBondContact O-N 2.93Å; L342-F345 PolarHBondContact O-N 2.9Å; L342-S346 PolarHBondContact O-N 3.42Å; L342-L347 HydrophobicContact CB-CB 4.46Å; L342-L347 HydrophobicContact CD2-CB 4.36Å; L342-L347 HydrophobicContact CD2-CD1 3.77Å; L342-L347 PolarHBondContact O-N 3.21Å; L342-Y349 HydrophobicContact CB-CD1 4.08Å; L342-Y349 HydrophobicContact CB-CG 4.44Å; L342-Y349 HydrophobicContact CD1-CD1 4.23Å; L342-Y349 HydrophobicContact CD1-CD2 3.96Å; L342-Y349 HydrophobicContact CD1-CG 3.76Å; L342-I394 HydrophobicContact CD1-CD1 4.34Å; L342-I394 HydrophobicContact CD2-CD1 4.15Å; L342-V407 HydrophobicContact CD2-CB 4.27Å; L342-V407 HydrophobicContact CD2-CG2 3.77Å
343L93.6Very high93.2Very high102 Ų10232.9 Ų32.953%0.53417%0.174SC..Hα-helixtrans-62.6-39.4178.3-70.2169.2000112.4E339 R340 F345 S346 Y349E339-L343 HydrophobicContact CG-CD1 4.27Å; E339-L343 WeakPolarHBondContact O-CG 3.44Å; E339-L343 PolarHBondContact O-N 2.73Å; R340-L343 PolarHBondContact O-N 2.96Å; L343-F345 PolarHBondContact O-N 3.27Å; L343-S346 PolarHBondContact O-N 3.43Å; L343-Y349 HydrophobicContact CD2-CE1 3.98Å; L343-Y349 HydrophobicContact CG-CE1 4.29Å
344Q91.8Very high93.1Very high40 Ų4036 Ų3619%0.18719%0.191CC..Hα-helixtrans-56.3-34.5178.1176.160.145.400113.3R340 L342 G566 N567R340-Q344 WeakPolarHBondContact O-CB 3.44Å; R340-Q344 PolarHBondContact O-N 3.47Å; L342-Q344 PolarHBondContact O-N 2.93Å; Q344-G566 WeakPolarHBondContact CG-O 3.42Å; Q344-N567 HydrophobicContact CG-CB 3.8Å; Q344-N567 PolarHBondContact NE2-ND2 3.4Å
345F92.4Very high93Very high6 Ų639.7 Ų39.73%0.02623%0.228CC..THydrogen-bonded Turntrans-101.17.6177.5-64.2-71.6000113.5S341 L342 L343 L347 V407 G409 D410 R531 R532S341-F345 VanDerWaalsContact O-CD2 3.3Å; S341-F345 WeakPolarHBondContact O-CD2 3.21Å; L342-F345 PolarHBondContact O-N 2.9Å; L343-F345 PolarHBondContact O-N 3.27Å; F345-L347 HydrophobicContact CB-CD1 4.29Å; F345-L347 HydrophobicContact CB-CG 4.03Å; F345-L347 PolarHBondContact O-N 3.22Å; F345-V407 WeakPolarHBondContact CE2-O 3.14Å; F345-G409 WeakPolarHBondContact CB-O 3.19Å; F345-G409 VanDerWaalsContact CG-O 3.31Å; F345-G409 WeakPolarHBondContact CG-O 3.37Å; F345-D410 HydrophobicContact CB-CB 4.18Å; F345-D410 HydrophobicContact CD1-CB 4.23Å; F345-R531 HydrophobicContact CD1-CB 4.28Å; F345-R531 HydrophobicContact CE1-CB 4Å; F345-R531 VanDerWaalsContact CE1-O 3.23Å; F345-R531 WeakPolarHBondContact CE1-O 3.32Å; F345-R531 VanDerWaalsContact CZ-O 3.27Å; F345-R531 WeakPolarHBondContact CZ-O 3.3Å; F345-R532 HydrophobicContact CE1-CB 4.23Å; F345-R532 HydrophobicContact CZ-CB 4.47Å
346S93.6Very high92.9Very high99 Ų9942.4 Ų42.469%0.69225%0.245SC*.THydrogen-bonded Turntrans56.732.1-178.7-48.70000113.6L342 L343L342-S346 PolarHBondContact O-N 3.42Å; L343-S346 PolarHBondContact O-N 3.43Å
347L94.3Very high92.8Very high8 Ų846.8 Ų46.84%0.04226%0.261CS..  trans-70.4132.3-179.6-67.8172.3000110.7L322 V324 L342 F345 Y349 V407 E411 I414L322-L347 HydrophobicContact CD2-CD2 4.07Å; V324-L347 HydrophobicContact CG2-CB 4.24Å; V324-L347 HydrophobicContact CG2-CD1 4.49Å; L342-L347 HydrophobicContact CB-CB 4.46Å; L342-L347 HydrophobicContact CD2-CB 4.36Å; L342-L347 HydrophobicContact CD2-CD1 3.77Å; L342-L347 PolarHBondContact O-N 3.21Å; F345-L347 HydrophobicContact CB-CD1 4.29Å; F345-L347 HydrophobicContact CB-CG 4.03Å; F345-L347 PolarHBondContact O-N 3.22Å; L347-Y349 WeakPolarHBondContact O-CD1 3.31Å; L347-Y349 PolarHBondContact O-N 2.77Å; L347-V407 HydrophobicContact CD1-CB 4.48Å; L347-V407 HydrophobicContact CD1-CG1 3.7Å; L347-E411 HydrophobicContact CD2-CB 3.96Å; L347-I414 HydrophobicContact CD1-CD1 4.08Å; L347-I414 HydrophobicContact CD2-CD1 4.16Å
348N95.1Very high92.6Very high100 Ų10047.8 Ų47.854%0.53527%0.265SS..  trans-70.4117171.4179.124.8000109.7V324V324-N348 PolarHBondContact N-O 3.35Å
349Y95.6Very high92.4Very high59 Ų5951.3 Ų51.323%0.23128%0.284CS..EExtended strand (participates in β ladder)trans-134153.2-176.976-81.8000113.5V324 E339 L342 L343 L347 V351V324-Y349 CarbonylContact O-C 3.49Å; V324-Y349 WeakPolarHBondContact O-CA 3.46Å; E339-Y349 HydrophobicContact CG-CE2 4.07Å; E339-Y349 VanDerWaalsContact CG-OH 3.25Å; E339-Y349 WeakPolarHBondContact CG-OH 3.47Å; E339-Y349 PolarHBondContact OE1-OH 3.27Å; L342-Y349 HydrophobicContact CB-CD1 4.08Å; L342-Y349 HydrophobicContact CB-CG 4.44Å; L342-Y349 HydrophobicContact CD1-CD1 4.23Å; L342-Y349 HydrophobicContact CD1-CD2 3.96Å; L342-Y349 HydrophobicContact CD1-CG 3.76Å; L343-Y349 HydrophobicContact CD2-CE1 3.98Å; L343-Y349 HydrophobicContact CG-CE1 4.29Å; L347-Y349 WeakPolarHBondContact O-CD1 3.31Å; L347-Y349 PolarHBondContact O-N 2.77Å; Y349-V351 HydrophobicContact CD2-CG2 3.84Å; Y349-V351 HydrophobicContact CE2-CG2 3.79Å
350H95.4Very high92.2Very high82 Ų8250.4 Ų50.438%0.3828%0.28SS..EExtended strand (participates in β ladder)trans-136.4136.8174-16574.9000111.5L323 V324 L325 T326 Y379L323-H350 HydrophobicContact CD1-CB 4.41Å; V324-H350 PolarHBondContact O-N 3.45Å; L325-H350 HydrophobicContact CD2-CB 3.74Å; T326-H350 PolarHBondContact N-O 3Å; H350-Y379 AromaticContact CD2-CD2 4Å; H350-Y379 AromaticContact CD2-CE2 3.27Å; H350-Y379 WeakPolarHBondContact CD2-CE2 3.44Å; H350-Y379 AromaticContact CD2-CZ 3.48Å; H350-Y379 VanDerWaalsContact CD2-CZ 3.48Å; H350-Y379 AromaticContact CG-CZ 3.96Å; H350-Y379 AromaticContact NE2-CE2 3.43Å; H350-Y379 WeakPolarHBondContact NE2-CE2 3.48Å
351V93.8Very high91.7Very high20 Ų2050.6 Ų50.612%0.12129%0.291CS..EExtended strand (participates in β ladder)trans-109.7112.7-173.7-171.80000110T326 A328 F335 Y349 L354T326-V351 HydrophobicContact CG2-CB 4.41Å; T326-V351 HydrophobicContact CG2-CG1 4.27Å; T326-V351 HydrophobicContact CG2-CG2 3.97Å; A328-V351 HydrophobicContact CB-CG1 3.48Å; A328-V351 VanDerWaalsContact CB-CG1 3.48Å; F335-V351 HydrophobicContact CE2-CG1 4.04Å; F335-V351 HydrophobicContact CE2-CG2 3.95Å; F335-V351 HydrophobicContact CZ-CG2 4.14Å; Y349-V351 HydrophobicContact CD2-CG2 3.84Å; Y349-V351 HydrophobicContact CE2-CG2 3.79Å; V351-L354 HydrophobicContact CB-CD1 3.84Å; V351-L354 HydrophobicContact CB-CG 4.35Å; V351-L354 HydrophobicContact CG1-CD1 3.73Å; V351-L354 HydrophobicContact CG1-CD2 4.42Å; V351-L354 HydrophobicContact CG1-CG 3.75Å
352L94.1Very high90.9Very high13 Ų1353.1 Ų53.17%0.06830%0.304CS..EExtended strand (participates in β ladder)trans-84.8141.2-177.6-58.9177000111.3T326 V327 A328 L375 L376 Y379T326-L352 PolarHBondContact O-N 3.41Å; V327-L352 CarbonylContact C-O 3.58Å; V327-L352 WeakPolarHBondContact CA-O 3.25Å; V327-L352 HydrophobicContact CB-CB 4.5Å; V327-L352 HydrophobicContact CG1-CB 3.96Å; V327-L352 VanDerWaalsContact CG1-O 3.29Å; V327-L352 WeakPolarHBondContact CG1-O 3.23Å; V327-L352 HydrophobicContact CG2-CB 4.47Å; A328-L352 PolarHBondContact N-O 2.83Å; L352-L375 HydrophobicContact CB-CB 4.33Å; L352-L375 HydrophobicContact CD1-CB 4.47Å; L352-L376 HydrophobicContact CD1-CB 4.47Å; L352-L376 HydrophobicContact CD1-CD1 4.16Å; L352-Y379 HydrophobicContact CD1-CG 4.48Å; L352-Y379 HydrophobicContact CD2-CD1 4.24Å; L352-Y379 HydrophobicContact CD2-CD2 3.53Å; L352-Y379 HydrophobicContact CD2-CE2 4.17Å; L352-Y379 HydrophobicContact CD2-CG 3.56Å
353G91.5Very high90Very high15 Ų1555.4 Ų55.416%0.15532%0.319CS..THydrogen-bonded Turntrans82.77170.300000117A328 T329 G355 T356A328-G353 CarbonylContact O-C 3.51Å; T329-G353 WeakPolarHBondContact CA-O 3.38Å; G353-G355 PolarHBondContact O-N 2.81Å; G353-T356 VanDerWaalsContact O-CB 3.3Å; G353-T356 WeakPolarHBondContact O-CB 3.46Å; G353-T356 WeakPolarHBondContact O-CG2 3.45Å; G353-T356 PolarHBondContact O-N 3.44Å; G353-T356 PolarHBondContact O-OG1 3.46Å
354L89.4Confident88.7Confident74 Ų7456.4 Ų56.439%0.38732%0.315SS..THydrogen-bonded Turntrans-56.4135.1-179.3-86.1169.8000111.7A328 R331 V351 T356A328-L354 HydrophobicContact CB-CD2 3.96Å; A328-L354 HydrophobicContact CB-CG 4.37Å; A328-L354 WeakPolarHBondContact O-CA 3.47Å; A328-L354 WeakPolarHBondContact O-CG 3.24Å; A328-L354 PolarHBondContact O-N 2.9Å; R331-L354 HydrophobicContact CG-CD2 4.45Å; V351-L354 HydrophobicContact CB-CD1 3.84Å; V351-L354 HydrophobicContact CB-CG 4.35Å; V351-L354 HydrophobicContact CG1-CD1 3.73Å; V351-L354 HydrophobicContact CG1-CD2 4.42Å; V351-L354 HydrophobicContact CG1-CG 3.75Å; L354-T356 PolarHBondContact O-N 2.83Å
355G87.1Confident87.7Confident76 Ų7664.2 Ų64.278%0.78434%0.343SS*.THydrogen-bonded Turntrans75.6-7.2-176.100000115.5T329 G353T329-G355 PolarHBondContact O-N 3.22Å; G353-G355 PolarHBondContact O-N 2.81Å
356T90.1Very high87.1Confident59 Ų5967.7 Ų67.736%0.36237%0.365SS..SBendtrans-81.7170.1-179.972.10000112.8T329 G353 L354 R398T329-T356 VanDerWaalsContact CB-O 3.25Å; T329-T356 WeakPolarHBondContact CB-O 3.4Å; T329-T356 VanDerWaalsContact CG2-O 3.26Å; T329-T356 WeakPolarHBondContact CG2-O 3.41Å; G353-T356 VanDerWaalsContact O-CB 3.3Å; G353-T356 WeakPolarHBondContact O-CB 3.46Å; G353-T356 WeakPolarHBondContact O-CG2 3.45Å; G353-T356 PolarHBondContact O-N 3.44Å; G353-T356 PolarHBondContact O-OG1 3.46Å; L354-T356 PolarHBondContact O-N 2.83Å; T356-R398 PolarHBondContact O-NH1 3.34Å
357K89.1Confident86.7Confident157 Ų15767.1 Ų67.168%0.68335%0.353SS*.PPolyproline II helixtrans-80.8138169.8-170-177.1174.2-168.90109.8Q371K357-Q371 PolarHBondContact O-NE2 3.29Å
358W88.3Confident86.5Confident39 Ų3966.8 Ų66.815%0.14835%0.352CS..PPolyproline II helixtrans-82.2124166.3177.4-108.6000109.6T329 G360 G361 V363 Q371 K372 M397 R398T329-W358 HydrophobicContact CG2-CB 4.28Å; W358-G360 WeakPolarHBondContact CZ2-O 3.16Å; W358-G361 PolarHBondContact NE1-O 3.17Å; W358-V363 HydrophobicContact CZ2-CG1 3.98Å; W358-V363 HydrophobicContact CZ2-CG2 4.35Å; W358-Q371 HydrophobicContact CE3-CB 4.28Å; W358-Q371 HydrophobicContact CE3-CG 4.4Å; W358-Q371 HydrophobicContact CZ3-CB 3.94Å; W358-Q371 HydrophobicContact CZ3-CG 4.36Å; W358-K372 HydrophobicContact CH2-CG 4.12Å; W358-K372 HydrophobicContact CZ3-CG 4.2Å; W358-M397 HydrophobicContact CD2-CB 4.29Å; W358-M397 HydrophobicContact CD2-CG 4.48Å; W358-M397 HydrophobicContact CE3-CB 3.87Å; W358-M397 HydrophobicContact CE3-CE 3.97Å; W358-M397 HydrophobicContact CE3-CG 3.78Å; W358-M397 HydrophobicContact CE3-SD 3.37Å; W358-M397 HydrophobicContact CH2-CB 4.14Å; W358-M397 HydrophobicContact CH2-SD 4.3Å; W358-M397 HydrophobicContact CZ3-CB 3.81Å; W358-M397 HydrophobicContact CZ3-CE 4.27Å; W358-M397 HydrophobicContact CZ3-CG 3.96Å; W358-M397 HydrophobicContact CZ3-SD 3.23Å; W358-M397 WeakPolarHBondContact CZ3-SD 3.36Å; W358-R398 HydrophobicContact CB-CB 4.27Å; W358-R398 HydrophobicContact CB-CG 4.47Å; W358-R398 HydrophobicContact CG-CB 4.28Å
359N91.1Very high86.2Confident75 Ų7562 Ų6240%0.40133%0.326SS..  trans-113.4-4.8176.1-58.7-35.2000111.4G361 D476N359-G361 PolarHBondContact O-N 2.86Å; N359-D476 HydrophobicContact CB-CB 3.79Å; N359-D476 PolarHBondContact ND2-OD2 3.45Å; N359-D476 VanDerWaalsContact ND2-OD2 3.13Å
360G87.6Confident86.1Confident0 Ų059.2 Ų59.20%032%0.315CS..SBendtrans-78.828.5-170.900000117.7W358 V363 G368 G369 D476W358-G360 WeakPolarHBondContact CZ2-O 3.16Å; G360-V363 WeakPolarHBondContact O-CG1 3.15Å; G360-G368 WeakPolarHBondContact O-CA 3.14Å; G360-G369 PolarHBondContact O-N 3.37Å; G360-D476 WeakPolarHBondContact CA-O 3.37Å
361G83.3Confident86Confident34 Ų3455.5 Ų55.535%0.35130%0.298SS..  trans74.8178.5177.900000115.2W358 N359 V363W358-G361 PolarHBondContact NE1-O 3.17Å; N359-G361 PolarHBondContact O-N 2.86Å; G361-V363 PolarHBondContact O-N 3.09Å
362D77.3Confident86Confident55 Ų5555 Ų5529%0.29429%0.294SS..  trans-89.577.8173.8-176.5-1.6000109.8R364 R365 T366D362-R364 PolarHBondContact O-N 2.69Å; D362-R364 VanDerWaalsContact OD1-CB 3.28Å; D362-R364 WeakPolarHBondContact OD1-CB 3.48Å; D362-R364 PolarHBondContact OD1-N 2.74Å; D362-R365 PolarHBondContact O-N 3.02Å; D362-R365 VanDerWaalsContact OD2-CD 3.24Å; D362-R365 WeakPolarHBondContact OD2-CD 3.45Å; D362-R365 WeakPolarHBondContact OD2-CG 3.46Å; D362-R365 IonicContact OD2-NE 2.8Å; D362-T366 PolarHBondContact O-N 3.33Å; D362-T366 PolarHBondContact O-OG1 2.79Å
363V75.3Confident86Confident51 Ų5154.4 Ų54.431%0.30929%0.291SS..THydrogen-bonded Turntrans-62.8-4.1-178.4-600000114.1W358 G360 G361 T366 V401W358-V363 HydrophobicContact CZ2-CG1 3.98Å; W358-V363 HydrophobicContact CZ2-CG2 4.35Å; G360-V363 WeakPolarHBondContact O-CG1 3.15Å; G361-V363 PolarHBondContact O-N 3.09Å; V363-T366 WeakPolarHBondContact CA-O 3.12Å; V363-V401 HydrophobicContact CG2-CB 4.41Å; V363-V401 HydrophobicContact CG2-CG1 4.32Å; V363-V401 HydrophobicContact CG2-CG2 3.95Å
364R67.3Low86.2Confident123 Ų12357.2 Ų57.246%0.46430%0.297SS..THydrogen-bonded Turntrans-76.2-32168.3-161174.5165.6174.1-5.3112.6D362 L400 V401 D807D362-R364 PolarHBondContact O-N 2.69Å; D362-R364 VanDerWaalsContact OD1-CB 3.28Å; D362-R364 WeakPolarHBondContact OD1-CB 3.48Å; D362-R364 PolarHBondContact OD1-N 2.74Å; R364-L400 WeakPolarHBondContact CD-O 3.28Å; R364-V401 HydrophobicContact CB-CG2 3.62Å; R364-V401 HydrophobicContact CG-CG2 4.33Å; R364-D807 IonicContact CZ-OD1 3.55Å; R364-D807 VanDerWaalsContact CZ-OD1 3.25Å; R364-D807 IonicContact NH1-OD1 2.69Å; R364-D807 PolarHBondContact NH1-OD1 3.01Å; R364-D807 IonicContact NH2-OD1 3.69Å; R364-D807 PolarHBondContact NH2-OD1 3.28Å
365R70Confident86.4Confident203 Ų20355 Ų5577%0.76629%0.285SS*.THydrogen-bonded Turntrans-117.9-28.5-167.8-63.4-171.3177.8172.2-4.4113.2D362D362-R365 PolarHBondContact O-N 3.02Å; D362-R365 VanDerWaalsContact OD2-CD 3.24Å; D362-R365 WeakPolarHBondContact OD2-CD 3.45Å; D362-R365 WeakPolarHBondContact OD2-CG 3.46Å; D362-R365 IonicContact OD2-NE 2.8Å
366T79.9Confident86.8Confident79 Ų7951.4 Ų51.449%0.48525%0.248SC..SBendtrans-135.3176-174.862.50000111.1D362 V363D362-T366 PolarHBondContact O-N 3.33Å; D362-T366 PolarHBondContact O-OG1 2.79Å; V363-T366 WeakPolarHBondContact CA-O 3.12Å
367I85.6Confident87Confident88 Ų8850.9 Ų50.945%0.45124%0.239SC..SBendtrans-59160.1163.958.7171.4000112.2W434 P435 D479I367-W434 HydrophobicContact CG2-CH2 4.16Å; I367-W434 HydrophobicContact CG2-CZ2 4.14Å; I367-P435 HydrophobicContact CG2-CB 3.51Å; I367-P435 HydrophobicContact CG2-CG 3.93Å; I367-D479 VanDerWaalsContact CA-OD2 3.3Å; I367-D479 WeakPolarHBondContact CA-OD2 3.42Å; I367-D479 HydrophobicContact CB-CB 3.94Å; I367-D479 WeakPolarHBondContact CB-OD2 3.34Å; I367-D479 HydrophobicContact CG2-CB 4.36Å; I367-D479 WeakPolarHBondContact CG2-OD2 3.45Å
368G89.9Confident87.3Confident1 Ų147.9 Ų47.91%0.0123%0.231CC..  trans157.9-159.2174.800000113.2G360 D478 D479 D480G360-G368 WeakPolarHBondContact O-CA 3.14Å; G368-D478 CarbonylContact C-O 3.56Å; G368-D478 WeakPolarHBondContact CA-O 3.33Å; G368-D479 PolarHBondContact N-OD2 2.86Å; G368-D479 VanDerWaalsContact N-OD2 3.12Å; G368-D479 VanDerWaalsContact O-CA 3.3Å; G368-D479 WeakPolarHBondContact O-CA 3.39Å; G368-D480 PolarHBondContact O-N 2.8Å
369G89.6Confident87.7Confident0 Ų048 Ų480%023%0.231CC..BIsolated β-bridgetrans95.5-2.3174.800000116.5G360 Q371 K372 D478G360-G369 PolarHBondContact O-N 3.37Å; G369-Q371 PolarHBondContact O-N 2.78Å; G369-K372 WeakPolarHBondContact O-CB 3.08Å; G369-K372 WeakPolarHBondContact O-CG 3.35Å; G369-K372 PolarHBondContact O-N 2.96Å; G369-D478 PolarHBondContact N-O 2.84Å
370G93.2Very high87.9Confident0 Ų044.4 Ų44.40%021%0.212CC..Hα-helixtrans-54.9-23.7178.600000115.2K372 I373 R374 V474 K475 D476 D478G370-K372 PolarHBondContact O-N 2.95Å; G370-I373 WeakPolarHBondContact O-CB 3.45Å; G370-I373 PolarHBondContact O-N 2.93Å; G370-I373 VanDerWaalsContact O-N 3.07Å; G370-R374 PolarHBondContact O-N 2.82Å; G370-R374 VanDerWaalsContact O-N 3.08Å; G370-V474 VanDerWaalsContact CA-CG1 3.5Å; G370-K475 WeakPolarHBondContact CA-O 3.17Å; G370-D476 CarbonylContact C-O 3.58Å; G370-D476 WeakPolarHBondContact CA-O 3.43Å; G370-D476 PolarHBondContact N-O 2.95Å; G370-D476 VanDerWaalsContact N-O 3.16Å; G370-D478 WeakPolarHBondContact CA-O 3.43Å; G370-D478 PolarHBondContact N-O 3.23Å
371Q93.6Very high88.2Confident3 Ų346.6 Ų46.61%0.01423%0.231CC..Hα-helixtrans-57.1-34.1169.6-175.7174.1500112.3K357 W358 G369 R374 L375 D476K357-Q371 PolarHBondContact O-NE2 3.29Å; W358-Q371 HydrophobicContact CE3-CB 4.28Å; W358-Q371 HydrophobicContact CE3-CG 4.4Å; W358-Q371 HydrophobicContact CZ3-CB 3.94Å; W358-Q371 HydrophobicContact CZ3-CG 4.36Å; G369-Q371 PolarHBondContact O-N 2.78Å; Q371-R374 PolarHBondContact O-N 3.47Å; Q371-L375 HydrophobicContact CG-CD1 3.92Å; Q371-L375 HydrophobicContact CG-CG 4.32Å; Q371-L375 WeakPolarHBondContact O-CB 3.27Å; Q371-L375 WeakPolarHBondContact O-CG 3.21Å; Q371-L375 PolarHBondContact O-N 3.12Å; Q371-D476 HydrophobicContact CB-CB 3.97Å; Q371-D476 PolarHBondContact N-O 2.92Å
372K92.4Very high88.8Confident10 Ų1050.8 Ų50.84%0.04324%0.241CC..Hα-helixtrans-59.8-47.7173.5-63.6-175.9-78.5164.70110.7V327 W358 G369 G370 R374 L375 L376 F393 D395 D480V327-K372 HydrophobicContact CB-CG 4.3Å; V327-K372 HydrophobicContact CG2-CB 4.13Å; V327-K372 HydrophobicContact CG2-CG 4.06Å; W358-K372 HydrophobicContact CH2-CG 4.12Å; W358-K372 HydrophobicContact CZ3-CG 4.2Å; G369-K372 WeakPolarHBondContact O-CB 3.08Å; G369-K372 WeakPolarHBondContact O-CG 3.35Å; G369-K372 PolarHBondContact O-N 2.96Å; G370-K372 PolarHBondContact O-N 2.95Å; K372-R374 PolarHBondContact O-N 3.02Å; K372-L375 PolarHBondContact O-N 3.44Å; K372-L376 VanDerWaalsContact O-CB 3.23Å; K372-L376 WeakPolarHBondContact O-CB 3.21Å; K372-L376 PolarHBondContact O-N 2.78Å; K372-F393 HydrophobicContact CB-CZ 4.38Å; K372-F393 HydrophobicContact CD-CZ 4.3Å; K372-D395 WeakPolarHBondContact CD-OD1 3.39Å; K372-D395 WeakPolarHBondContact CE-OD1 3.38Å; K372-D395 VanDerWaalsContact NZ-CG 3.27Å; K372-D395 IonicContact NZ-OD1 2.78Å; K372-D395 PolarHBondContact NZ-OD1 3.37Å; K372-D395 IonicContact NZ-OD2 3.28Å; K372-D395 PolarHBondContact NZ-OD2 2.87Å; K372-D480 VanDerWaalsContact CE-CG 3.47Å; K372-D480 VanDerWaalsContact CE-OD1 3.32Å; K372-D480 WeakPolarHBondContact CE-OD1 3.44Å; K372-D480 WeakPolarHBondContact CE-OD2 3.49Å; K372-D480 VanDerWaalsContact NZ-CG 3.3Å; K372-D480 IonicContact NZ-OD1 3.18Å; K372-D480 PolarHBondContact NZ-OD1 3.18Å; K372-D480 VanDerWaalsContact NZ-OD1 3.13Å; K372-D480 IonicContact NZ-OD2 3.41Å; K372-D480 PolarHBondContact NZ-OD2 3.09Å
373I94.9Very high89.6Confident0 Ų051 Ų510%024%0.238CC..Hα-helixtrans-59.8-45.9177.5-72165.5000110.9G370 L376 R377 L469 V474 D480 F483 Y484G370-I373 WeakPolarHBondContact O-CB 3.45Å; G370-I373 PolarHBondContact O-N 2.93Å; G370-I373 VanDerWaalsContact O-N 3.07Å; I373-L376 PolarHBondContact O-N 3.49Å; I373-R377 VanDerWaalsContact O-CB 3.22Å; I373-R377 WeakPolarHBondContact O-CB 3.45Å; I373-R377 PolarHBondContact O-N 3.28Å; I373-L469 HydrophobicContact CG1-CD2 4.48Å; I373-L469 HydrophobicContact CG2-CD2 4Å; I373-V474 HydrophobicContact CB-CG1 4.18Å; I373-V474 HydrophobicContact CD1-CG1 4.19Å; I373-V474 HydrophobicContact CD1-CG2 4.29Å; I373-V474 HydrophobicContact CG2-CB 4.27Å; I373-V474 HydrophobicContact CG2-CG1 4.21Å; I373-V474 HydrophobicContact CG2-CG2 4.43Å; I373-D480 HydrophobicContact CD1-CB 3.6Å; I373-D480 HydrophobicContact CG1-CB 4.04Å; I373-F483 HydrophobicContact CD1-CB 3.71Å; I373-F483 HydrophobicContact CD1-CD1 3.47Å; I373-F483 VanDerWaalsContact CD1-CD1 3.47Å; I373-F483 HydrophobicContact CD1-CE1 4.28Å; I373-F483 HydrophobicContact CD1-CG 3.71Å; I373-F483 HydrophobicContact CG1-CD1 4.32Å; I373-Y484 HydrophobicContact CD1-CE2 4.03Å; I373-Y484 HydrophobicContact CG1-CE2 3.9Å
374R94.8Very high90.3Very high75 Ų7553.2 Ų53.228%0.28324%0.244SC..Hα-helixtrans-61.6-53178.1-178.7176.756.473.5-5.2111.5G370 Q371 K372 L376 R377 D378 D476G370-R374 PolarHBondContact O-N 2.82Å; G370-R374 VanDerWaalsContact O-N 3.08Å; Q371-R374 PolarHBondContact O-N 3.47Å; K372-R374 PolarHBondContact O-N 3.02Å; R374-L376 VanDerWaalsContact C-N 3.28Å; R374-L376 PolarHBondContact O-N 3.38Å; R374-R377 WeakPolarHBondContact O-CB 3.37Å; R374-R377 PolarHBondContact O-N 3.05Å; R374-D378 WeakPolarHBondContact CG-OD2 3.25Å; R374-D378 IonicContact NH1-OD2 2.69Å; R374-D378 WeakPolarHBondContact O-CB 3.31Å; R374-D378 PolarHBondContact O-N 3.42Å; R374-D476 IonicContact CZ-OD1 3.99Å; R374-D476 IonicContact CZ-OD2 3.51Å; R374-D476 IonicContact NE-OD1 3.57Å; R374-D476 PolarHBondContact NE-OD1 3.39Å; R374-D476 IonicContact NE-OD2 3.98Å; R374-D476 IonicContact NH2-OD1 3.79Å; R374-D476 PolarHBondContact NH2-OD1 3.25Å; R374-D476 VanDerWaalsContact NH2-OD1 3.13Å; R374-D476 IonicContact NH2-OD2 3.69Å; R374-D476 PolarHBondContact NH2-OD2 3.09Å
375L94.6Very high91.5Very high27 Ų2754.2 Ų54.214%0.14125%0.253CS..Hα-helixtrans-59.2-40.2-179.4-70.7171000112.1V327 L352 Q371 K372 Y379 M397V327-L375 HydrophobicContact CG1-CB 4.39Å; V327-L375 HydrophobicContact CG1-CD1 3.47Å; V327-L375 VanDerWaalsContact CG1-CD1 3.47Å; L352-L375 HydrophobicContact CB-CB 4.33Å; L352-L375 HydrophobicContact CD1-CB 4.47Å; Q371-L375 HydrophobicContact CG-CD1 3.92Å; Q371-L375 HydrophobicContact CG-CG 4.32Å; Q371-L375 WeakPolarHBondContact O-CB 3.27Å; Q371-L375 WeakPolarHBondContact O-CG 3.21Å; Q371-L375 PolarHBondContact O-N 3.12Å; K372-L375 PolarHBondContact O-N 3.44Å; L375-Y379 WeakPolarHBondContact O-CB 3.43Å; L375-Y379 PolarHBondContact O-N 2.92Å; L375-Y379 VanDerWaalsContact O-N 3.07Å; L375-M397 HydrophobicContact CD1-CE 3.85Å
376L95.2Very high92.5Very high0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-67.7-42176.7-172.365.4000112.2L325 L352 K372 I373 R374 Y379 L380 F393 F458 L469L325-L376 HydrophobicContact CB-CD1 4.11Å; L325-L376 HydrophobicContact CD1-CD1 3.5Å; L325-L376 HydrophobicContact CG-CD1 4.46Å; L352-L376 HydrophobicContact CD1-CB 4.47Å; L352-L376 HydrophobicContact CD1-CD1 4.16Å; K372-L376 VanDerWaalsContact O-CB 3.23Å; K372-L376 WeakPolarHBondContact O-CB 3.21Å; K372-L376 PolarHBondContact O-N 2.78Å; I373-L376 PolarHBondContact O-N 3.49Å; R374-L376 VanDerWaalsContact C-N 3.28Å; R374-L376 PolarHBondContact O-N 3.38Å; L376-Y379 PolarHBondContact O-N 3.03Å; L376-L380 HydrophobicContact CD1-CD1 3.87Å; L376-L380 HydrophobicContact CD1-CG 4.1Å; L376-L380 HydrophobicContact CD2-CD1 4.5Å; L376-L380 HydrophobicContact CG-CD1 3.86Å; L376-L380 HydrophobicContact CG-CG 4.36Å; L376-L380 VanDerWaalsContact O-CB 3.31Å; L376-L380 WeakPolarHBondContact O-CB 3.19Å; L376-L380 WeakPolarHBondContact O-CG 3.18Å; L376-L380 PolarHBondContact O-N 2.94Å; L376-F393 HydrophobicContact CD1-CD2 3.91Å; L376-F393 HydrophobicContact CD1-CE2 4.35Å; L376-F393 HydrophobicContact CD2-CD2 3.75Å; L376-F393 HydrophobicContact CD2-CE2 4.14Å; L376-F393 HydrophobicContact CD2-CG 4.3Å; L376-F393 HydrophobicContact CG-CD2 4.41Å; L376-F458 HydrophobicContact CD2-CE2 4.3Å; L376-F458 HydrophobicContact CD2-CZ 3.67Å; L376-L469 HydrophobicContact CB-CD1 4.29Å; L376-L469 HydrophobicContact CD2-CD1 3.85Å; L376-L469 HydrophobicContact CD2-CD2 4.25Å; L376-L469 HydrophobicContact CG-CD1 3.77Å
377R94.9Very high93Very high49 Ų4946.7 Ų46.719%0.18522%0.222CC..Hα-helixtrans-61.3-48.2176.1-176.8-167.7-66.2134.4-2.6111.2I373 R374 Y379 A381 L469 G472I373-R377 VanDerWaalsContact O-CB 3.22Å; I373-R377 WeakPolarHBondContact O-CB 3.45Å; I373-R377 PolarHBondContact O-N 3.28Å; R374-R377 WeakPolarHBondContact O-CB 3.37Å; R374-R377 PolarHBondContact O-N 3.05Å; R377-Y379 VanDerWaalsContact C-N 3.35Å; R377-Y379 PolarHBondContact O-N 2.78Å; R377-A381 PolarHBondContact O-N 3.08Å; R377-L469 HydrophobicContact CB-CB 4.23Å; R377-L469 HydrophobicContact CB-CD1 4.44Å; R377-L469 HydrophobicContact CG-CB 4.33Å; R377-L469 VanDerWaalsContact CZ-O 3.24Å; R377-L469 PolarHBondContact NE-O 3.3Å; R377-L469 PolarHBondContact NH2-O 2.86Å; R377-G472 PolarHBondContact NH2-O 3.09Å
378D94.5Very high93.2Very high94 Ų9447 Ų4750%0.50323%0.225SC..Hα-helixtrans-60.6-45-180-63.9-18.2000110.5R374 A381R374-D378 WeakPolarHBondContact CG-OD2 3.25Å; R374-D378 IonicContact NH1-OD2 2.69Å; R374-D378 WeakPolarHBondContact O-CB 3.31Å; R374-D378 PolarHBondContact O-N 3.42Å; D378-A381 WeakPolarHBondContact O-CB 3.43Å
379Y96Very high93.5Very high41 Ų4147.2 Ų47.216%0.16123%0.226CC..Hα-helixtrans-70.8-42.9179.5-176.2-95.5000113.6L323 L325 H350 L352 L375 L376 R377 A381 Q382 Y383L323-Y379 HydrophobicContact CD2-CE1 4.17Å; L325-Y379 HydrophobicContact CD1-CD1 3.78Å; L325-Y379 HydrophobicContact CD1-CE1 3.94Å; L325-Y379 HydrophobicContact CD2-CD1 4.12Å; L325-Y379 HydrophobicContact CD2-CE1 3.62Å; L325-Y379 HydrophobicContact CG-CE1 4.47Å; H350-Y379 AromaticContact CD2-CD2 4Å; H350-Y379 AromaticContact CD2-CE2 3.27Å; H350-Y379 WeakPolarHBondContact CD2-CE2 3.44Å; H350-Y379 AromaticContact CD2-CZ 3.48Å; H350-Y379 VanDerWaalsContact CD2-CZ 3.48Å; H350-Y379 AromaticContact CG-CZ 3.96Å; H350-Y379 AromaticContact NE2-CE2 3.43Å; H350-Y379 WeakPolarHBondContact NE2-CE2 3.48Å; L352-Y379 HydrophobicContact CD1-CG 4.48Å; L352-Y379 HydrophobicContact CD2-CD1 4.24Å; L352-Y379 HydrophobicContact CD2-CD2 3.53Å; L352-Y379 HydrophobicContact CD2-CE2 4.17Å; L352-Y379 HydrophobicContact CD2-CG 3.56Å; L375-Y379 WeakPolarHBondContact O-CB 3.43Å; L375-Y379 PolarHBondContact O-N 2.92Å; L375-Y379 VanDerWaalsContact O-N 3.07Å; L376-Y379 PolarHBondContact O-N 3.03Å; R377-Y379 VanDerWaalsContact C-N 3.35Å; R377-Y379 PolarHBondContact O-N 2.78Å; Y379-A381 PolarHBondContact O-N 3.04Å; Y379-Q382 WeakPolarHBondContact O-CG 3.37Å; Y379-Q382 PolarHBondContact O-NE2 2.93Å; Y379-Y383 HydrophobicContact CD1-CE2 4.4Å; Y379-Y383 HydrophobicContact CE1-CD2 4.37Å; Y379-Y383 AromaticContact CE1-CE2 3.71Å; Y379-Y383 HydrophobicContact CE1-CE2 3.71Å
380L96.1Very high93.8Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-73.2-10.1-178.8-70.9-179.5000113.7L325 L376 Q382 Y383 K384 V391 V465 N466 L469L325-L380 HydrophobicContact CD1-CD2 3.66Å; L325-L380 HydrophobicContact CD1-CG 4.15Å; L376-L380 HydrophobicContact CD1-CD1 3.87Å; L376-L380 HydrophobicContact CD1-CG 4.1Å; L376-L380 HydrophobicContact CD2-CD1 4.5Å; L376-L380 HydrophobicContact CG-CD1 3.86Å; L376-L380 HydrophobicContact CG-CG 4.36Å; L376-L380 VanDerWaalsContact O-CB 3.31Å; L376-L380 WeakPolarHBondContact O-CB 3.19Å; L376-L380 WeakPolarHBondContact O-CG 3.18Å; L376-L380 PolarHBondContact O-N 2.94Å; L380-Q382 PolarHBondContact O-N 2.77Å; L380-Y383 HydrophobicContact CD2-CD2 4.14Å; L380-Y383 CarbonylContact O-C 3.5Å; L380-Y383 PolarHBondContact O-N 3.39Å; L380-K384 PolarHBondContact O-N 3.12Å; L380-V391 HydrophobicContact CD2-CG1 4.41Å; L380-V391 HydrophobicContact CD2-CG2 3.89Å; L380-V465 HydrophobicContact CD1-CB 4.13Å; L380-V465 HydrophobicContact CD1-CG1 3.53Å; L380-N466 HydrophobicContact CB-CB 4.2Å; L380-N466 PolarHBondContact O-ND2 3.44Å; L380-L469 HydrophobicContact CD1-CD1 3.92Å
381A94.9Very high94Very high46 Ų4647.2 Ų47.238%0.3823%0.226SC..G310 helixtrans-58.1-27.8176.500000113.3R377 D378 Y379 K384 N466R377-A381 PolarHBondContact O-N 3.08Å; D378-A381 WeakPolarHBondContact O-CB 3.43Å; Y379-A381 PolarHBondContact O-N 3.04Å; A381-K384 WeakPolarHBondContact O-CD 3.31Å; A381-K384 VanDerWaalsContact O-CG 3.28Å; A381-K384 WeakPolarHBondContact O-CG 3.36Å; A381-N466 PolarHBondContact N-ND2 2.84Å
382Q95.3Very high94.2Very high121 Ų12147 Ų4757%0.56523%0.225SC*.G310 helixtrans-72.9-26.1174.876.8-163.7-60.900113.1Y379 L380Y379-Q382 WeakPolarHBondContact O-CG 3.37Å; Y379-Q382 PolarHBondContact O-NE2 2.93Å; L380-Q382 PolarHBondContact O-N 2.77Å
383Y93.9Very high94.5Very high59 Ų5946.6 Ų46.623%0.23122%0.223CC..G310 helixtrans-101.58.9-178.1-57.4-65.5000113.5L323 Y379 L380 H385 D386 L389L323-Y383 HydrophobicContact CD2-CE2 4.2Å; Y379-Y383 HydrophobicContact CD1-CE2 4.4Å; Y379-Y383 HydrophobicContact CE1-CD2 4.37Å; Y379-Y383 AromaticContact CE1-CE2 3.71Å; Y379-Y383 HydrophobicContact CE1-CE2 3.71Å; L380-Y383 HydrophobicContact CD2-CD2 4.14Å; L380-Y383 CarbonylContact O-C 3.5Å; L380-Y383 PolarHBondContact O-N 3.39Å; Y383-H385 PolarHBondContact O-N 3.17Å; Y383-D386 WeakPolarHBondContact O-CB 3.49Å; Y383-D386 PolarHBondContact O-N 3.26Å; Y383-L389 HydrophobicContact CD1-CD2 3.52Å; Y383-L389 HydrophobicContact CD2-CD2 4.02Å; Y383-L389 HydrophobicContact CE1-CD2 3.96Å; Y383-L389 HydrophobicContact CE2-CD2 4.41Å; Y383-L389 HydrophobicContact CG-CD2 3.56Å
384K90.8Very high94.5Very high99 Ų9946.6 Ų46.643%0.4322%0.223SC..THydrogen-bonded Turntrans-54.6-20.5-176.665.9177.2170.7158.40115.9L380 A381 S463 N466L380-K384 PolarHBondContact O-N 3.12Å; A381-K384 WeakPolarHBondContact O-CD 3.31Å; A381-K384 VanDerWaalsContact O-CG 3.28Å; A381-K384 WeakPolarHBondContact O-CG 3.36Å; K384-S463 WeakPolarHBondContact O-CB 3.37Å; K384-N466 VanDerWaalsContact CB-OD1 3.31Å; K384-N466 WeakPolarHBondContact CB-OD1 3.19Å
385H91.7Very high94Very high143 Ų14344.2 Ų44.266%0.66222%0.216SC*.THydrogen-bonded Turntrans-109-10.7178.4-61.9-51.7000113.5Y383 Q387Y383-H385 PolarHBondContact O-N 3.17Å; H385-Q387 PolarHBondContact O-N 3.34Å; H385-Q387 PolarHBondContact O-NE2 2.96Å; H385-Q387 VanDerWaalsContact O-NE2 3.08Å
386D91.9Very high92.8Very high35 Ų3543.1 Ų43.119%0.18721%0.211CC..  trans-69.5117.8177.2-161.2-33.8000108.9R321 Y383 D388 L389 S463R321-D386 IonicContact CZ-OD2 3.65Å; R321-D386 IonicContact NH2-OD1 2.75Å; R321-D386 PolarHBondContact NH2-OD1 3.27Å; R321-D386 IonicContact NH2-OD2 3.33Å; R321-D386 PolarHBondContact NH2-OD2 3.07Å; Y383-D386 WeakPolarHBondContact O-CB 3.49Å; Y383-D386 PolarHBondContact O-N 3.26Å; D386-D388 PolarHBondContact OD1-N 2.96Å; D386-D388 VanDerWaalsContact OD1-N 3.08Å; D386-L389 HydrophobicContact CB-CB 4.14Å; D386-L389 VanDerWaalsContact CG-CB 3.43Å; D386-L389 WeakPolarHBondContact OD1-CB 3.42Å; D386-L389 PolarHBondContact OD1-N 3.5Å; D386-S463 WeakPolarHBondContact O-CB 3.31Å; D386-S463 PolarHBondContact O-OG 3.27Å; D386-S463 VanDerWaalsContact O-OG 3.08Å
387Q88.4Confident90.9Very high90 Ų9043.5 Ų43.542%0.42121%0.213SC..SBendtrans-92.3-18.8179-61.1-49.1-75.700112.1H385 Y461 S463H385-Q387 PolarHBondContact O-N 3.34Å; H385-Q387 PolarHBondContact O-NE2 2.96Å; H385-Q387 VanDerWaalsContact O-NE2 3.08Å; Q387-Y461 WeakPolarHBondContact O-CD1 3.02Å; Q387-S463 VanDerWaalsContact NE2-CB 3.3Å; Q387-S463 PolarHBondContact NE2-OG 2.81Å; Q387-S463 PolarHBondContact OE1-OG 2.99Å
388D90.9Very high88.8Confident94 Ų9443.6 Ų43.650%0.50321%0.213SC..SBendtrans-107.6-13.1-167.3-40.5-44.5000111.9E320 R321 D386 V390E320-D388 WeakPolarHBondContact CA-O 3.05Å; R321-D388 PolarHBondContact N-O 3.06Å; R321-D388 VanDerWaalsContact N-O 3.14Å; D386-D388 PolarHBondContact OD1-N 2.96Å; D386-D388 VanDerWaalsContact OD1-N 3.08Å; D388-V390 PolarHBondContact O-N 2.88Å
389L95.8Very high86.4Confident5 Ų544 Ų443%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-77.4116.6170.4-176.267.3000111R321 L323 Y383 D386 V391 A462R321-L389 HydrophobicContact CB-CD1 4.23Å; L323-L389 HydrophobicContact CB-CD1 3.88Å; L323-L389 HydrophobicContact CD2-CD2 4.39Å; Y383-L389 HydrophobicContact CD1-CD2 3.52Å; Y383-L389 HydrophobicContact CD2-CD2 4.02Å; Y383-L389 HydrophobicContact CE1-CD2 3.96Å; Y383-L389 HydrophobicContact CE2-CD2 4.41Å; Y383-L389 HydrophobicContact CG-CD2 3.56Å; D386-L389 HydrophobicContact CB-CB 4.14Å; D386-L389 VanDerWaalsContact CG-CB 3.43Å; D386-L389 WeakPolarHBondContact OD1-CB 3.42Å; D386-L389 PolarHBondContact OD1-N 3.5Å; L389-V391 HydrophobicContact CD2-CG2 4.37Å; L389-V391 HydrophobicContact CG-CG2 4.3Å; L389-A462 HydrophobicContact CB-CB 4.05Å; L389-A462 HydrophobicContact CD2-CB 3.87Å; L389-A462 HydrophobicContact CG-CB 4.05Å; L389-A462 WeakPolarHBondContact O-CB 3.48Å; L389-A462 PolarHBondContact O-N 3.35Å
390V97.2Very high83.8Confident0 Ų045.6 Ų45.60%023%0.227CC..EExtended strand (participates in β ladder)trans-93.6132.1168.1178.90000109E320 R321 L322 L323 D388 L415 F418 I459 Y461E320-V390 HydrophobicContact CB-CG2 4.18Å; E320-V390 HydrophobicContact CG-CG2 4.46Å; E320-V390 WeakPolarHBondContact OE2-CG2 3.37Å; R321-V390 PolarHBondContact O-N 2.86Å; L322-V390 WeakPolarHBondContact CA-O 3.32Å; L322-V390 HydrophobicContact CD1-CB 4.43Å; L322-V390 HydrophobicContact CD1-CG1 4.08Å; L323-V390 PolarHBondContact N-O 3.28Å; D388-V390 PolarHBondContact O-N 2.88Å; V390-L415 HydrophobicContact CB-CD2 3.82Å; V390-L415 HydrophobicContact CG1-CD2 3.95Å; V390-L415 HydrophobicContact CG2-CD2 3.96Å; V390-F418 HydrophobicContact CG1-CD1 3.86Å; V390-F418 HydrophobicContact CG1-CE1 3.85Å; V390-F418 HydrophobicContact CG2-CD1 4.25Å; V390-F418 HydrophobicContact CG2-CE1 3.9Å; V390-I459 HydrophobicContact CG1-CD1 3.77Å; V390-I459 HydrophobicContact CG1-CG1 3.48Å; V390-I459 VanDerWaalsContact CG1-CG1 3.48Å; V390-Y461 HydrophobicContact CG2-CD1 4.03Å; V390-Y461 HydrophobicContact CG2-CE1 3.98Å
391V97.4Very high81.6Confident0 Ų046.5 Ų46.50%023%0.232CC..EExtended strand (participates in β ladder)trans-111.6121.3-179.9172.50000109L323 L325 L380 L389 I459 G460 A462L323-V391 WeakPolarHBondContact O-CA 3.42Å; L325-V391 HydrophobicContact CB-CG1 4.39Å; L325-V391 HydrophobicContact CD1-CG1 3.68Å; L325-V391 HydrophobicContact CG-CG1 3.96Å; L380-V391 HydrophobicContact CD2-CG1 4.41Å; L380-V391 HydrophobicContact CD2-CG2 3.89Å; L389-V391 HydrophobicContact CD2-CG2 4.37Å; L389-V391 HydrophobicContact CG-CG2 4.3Å; V391-I459 CarbonylContact O-C 3.56Å; V391-I459 VanDerWaalsContact O-CA 3.28Å; V391-I459 WeakPolarHBondContact O-CA 3.3Å; V391-G460 PolarHBondContact N-O 2.84Å; V391-G460 PolarHBondContact O-N 3.21Å; V391-A462 HydrophobicContact CG2-CB 3.73Å
392L97.8Very high79.8Confident0 Ų044.8 Ų44.80%022%0.217CC..EExtended strand (participates in β ladder)trans-98110.3167.916757.9000108.4L322 L323 V324 L325 I394 I414 F458 I459 F508 V547L322-L392 HydrophobicContact CD1-CB 3.91Å; L323-L392 PolarHBondContact O-N 3.39Å; V324-L392 CarbonylContact C-O 3.56Å; V324-L392 VanDerWaalsContact CA-O 3.3Å; V324-L392 WeakPolarHBondContact CA-O 3.33Å; V324-L392 HydrophobicContact CG1-CD2 4.45Å; V324-L392 HydrophobicContact CG1-CG 4.35Å; V324-L392 HydrophobicContact CG2-CB 4.42Å; V324-L392 HydrophobicContact CG2-CD2 4.16Å; L325-L392 PolarHBondContact N-O 3.42Å; L392-I394 HydrophobicContact CD1-CG2 3.87Å; L392-I394 HydrophobicContact CD2-CG2 4.37Å; L392-I394 HydrophobicContact CG-CG2 3.99Å; L392-I414 HydrophobicContact CD2-CD1 4.35Å; L392-I414 HydrophobicContact CD2-CG2 4.24Å; L392-F458 CarbonylContact C-O 3.42Å; L392-I459 HydrophobicContact CB-CD1 4.09Å; L392-I459 HydrophobicContact CB-CG1 4.22Å; L392-I459 HydrophobicContact CD1-CB 4.2Å; L392-F508 HydrophobicContact CD1-CE1 3.69Å; L392-F508 HydrophobicContact CD1-CZ 3.99Å; L392-V547 HydrophobicContact CD2-CG2 4.18Å
393F97.6Very high78.6Confident1 Ų139.1 Ų39.10%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-86.2132.3168-174.5-95000110.4L325 V327 K372 L376 A457 F458L325-F393 HydrophobicContact CB-CD2 4.37Å; L325-F393 WeakPolarHBondContact O-CA 3.28Å; V327-F393 HydrophobicContact CG2-CE2 3.58Å; V327-F393 HydrophobicContact CG2-CZ 3.77Å; K372-F393 HydrophobicContact CB-CZ 4.38Å; K372-F393 HydrophobicContact CD-CZ 4.3Å; L376-F393 HydrophobicContact CD1-CD2 3.91Å; L376-F393 HydrophobicContact CD1-CE2 4.35Å; L376-F393 HydrophobicContact CD2-CD2 3.75Å; L376-F393 HydrophobicContact CD2-CE2 4.14Å; L376-F393 HydrophobicContact CD2-CG 4.3Å; L376-F393 HydrophobicContact CG-CD2 4.41Å; F393-A457 WeakPolarHBondContact O-CA 3.44Å; F393-F458 HydrophobicContact CB-CD1 4Å; F393-F458 HydrophobicContact CB-CD2 3.91Å; F393-F458 HydrophobicContact CB-CE1 3.66Å; F393-F458 HydrophobicContact CB-CE2 3.55Å; F393-F458 HydrophobicContact CB-CG 4.12Å; F393-F458 HydrophobicContact CB-CZ 3.43Å; F393-F458 VanDerWaalsContact CB-CZ 3.43Å; F393-F458 AromaticContact CD1-CD1 3.9Å; F393-F458 HydrophobicContact CD1-CD1 3.9Å; F393-F458 AromaticContact CD1-CE1 3.36Å; F393-F458 HydrophobicContact CD1-CE1 3.36Å; F393-F458 AromaticContact CD1-CZ 3.88Å; F393-F458 HydrophobicContact CD1-CZ 3.88Å; F393-F458 HydrophobicContact CD2-CZ 4.36Å; F393-F458 HydrophobicContact CE1-CE1 4.19Å; F393-F458 HydrophobicContact CG-CD1 4.29Å; F393-F458 AromaticContact CG-CE1 3.63Å; F393-F458 HydrophobicContact CG-CE1 3.63Å; F393-F458 HydrophobicContact CG-CE2 4.26Å; F393-F458 AromaticContact CG-CZ 3.63Å; F393-F458 HydrophobicContact CG-CZ 3.63Å; F393-F458 PolarHBondContact N-O 2.94Å; F393-F458 PolarHBondContact O-N 3.38Å; F393-F458 VanDerWaalsContact O-N 3.08Å
394I95Very high78.1Confident0 Ų036.9 Ų36.90%018%0.183CC..EExtended strand (participates in β ladder)trans-132.1143170.660.6175.6000110.7V324 L325 T326 T338 L342 L392 V405 V407 G456 V547V324-I394 HydrophobicContact CG1-CD1 3.77Å; V324-I394 HydrophobicContact CG1-CG1 3.92Å; L325-I394 PolarHBondContact O-N 2.63Å; T326-I394 WeakPolarHBondContact CA-O 3.44Å; T326-I394 VanDerWaalsContact CB-O 3.24Å; T326-I394 WeakPolarHBondContact CB-O 3.3Å; T326-I394 PolarHBondContact OG1-O 3.25Å; T338-I394 HydrophobicContact CG2-CD1 3.95Å; L342-I394 HydrophobicContact CD1-CD1 4.34Å; L342-I394 HydrophobicContact CD2-CD1 4.15Å; L392-I394 HydrophobicContact CD1-CG2 3.87Å; L392-I394 HydrophobicContact CD2-CG2 4.37Å; L392-I394 HydrophobicContact CG-CG2 3.99Å; I394-V405 HydrophobicContact CB-CB 4.49Å; I394-V405 HydrophobicContact CB-CG1 4.12Å; I394-V405 HydrophobicContact CB-CG2 4.27Å; I394-V405 HydrophobicContact CD1-CG1 4.15Å; I394-V405 HydrophobicContact CG2-CG1 4.18Å; I394-V407 HydrophobicContact CD1-CG2 4.23Å; I394-G456 CarbonylContact C-O 3.42Å; I394-G456 WeakPolarHBondContact CA-O 3.43Å; I394-V547 HydrophobicContact CG2-CG1 3.81Å
395D83.7Confident78.2Confident24 Ų2432.2 Ų32.213%0.12816%0.162CC..  trans-66.5162.7-168.2-136.9-15.1000114.8T326 K372 Y403 G456T326-D395 PolarHBondContact OG1-O 3.17Å; K372-D395 WeakPolarHBondContact CD-OD1 3.39Å; K372-D395 WeakPolarHBondContact CE-OD1 3.38Å; K372-D395 VanDerWaalsContact NZ-CG 3.27Å; K372-D395 IonicContact NZ-OD1 2.78Å; K372-D395 PolarHBondContact NZ-OD1 3.37Å; K372-D395 IonicContact NZ-OD2 3.28Å; K372-D395 PolarHBondContact NZ-OD2 2.87Å; D395-Y403 WeakPolarHBondContact O-CD1 3.37Å; D395-Y403 WeakPolarHBondContact O-CE1 3.46Å; D395-G456 WeakPolarHBondContact CB-O 3.27Å; D395-G456 PolarHBondContact N-O 3.47Å; D395-G456 WeakPolarHBondContact OD2-CA 3.01Å
396G70Confident78.4Confident5 Ų525.4 Ų25.45%0.05213%0.131CC..  trans-172.8177.6179.500000113.1V327V327-G396 CarbonylContact O-C 3.59Å; V327-G396 WeakPolarHBondContact O-CA 3.34Å
397M55.1Low78.5Confident7 Ų723.8 Ų23.83%0.03412%0.122CC..  trans71.2146.7-171.1-81.2143.916200115.2V327 T329 W358 L375V327-M397 HydrophobicContact CB-CE 4.42Å; V327-M397 HydrophobicContact CB-SD 3.69Å; V327-M397 HydrophobicContact CG1-CE 3.42Å; V327-M397 VanDerWaalsContact CG1-CE 3.42Å; V327-M397 HydrophobicContact CG1-SD 3.23Å; V327-M397 WeakPolarHBondContact CG1-SD 3.36Å; V327-M397 WeakPolarHBondContact O-CG 3.39Å; V327-M397 PolarHBondContact O-N 3.21Å; T329-M397 HydrophobicContact CG2-CE 3.22Å; T329-M397 HydrophobicContact CG2-CG 4.07Å; T329-M397 HydrophobicContact CG2-SD 4.38Å; W358-M397 HydrophobicContact CD2-CB 4.29Å; W358-M397 HydrophobicContact CD2-CG 4.48Å; W358-M397 HydrophobicContact CE3-CB 3.87Å; W358-M397 HydrophobicContact CE3-CE 3.97Å; W358-M397 HydrophobicContact CE3-CG 3.78Å; W358-M397 HydrophobicContact CE3-SD 3.37Å; W358-M397 HydrophobicContact CH2-CB 4.14Å; W358-M397 HydrophobicContact CH2-SD 4.3Å; W358-M397 HydrophobicContact CZ3-CB 3.81Å; W358-M397 HydrophobicContact CZ3-CE 4.27Å; W358-M397 HydrophobicContact CZ3-CG 3.96Å; W358-M397 HydrophobicContact CZ3-SD 3.23Å; W358-M397 WeakPolarHBondContact CZ3-SD 3.36Å; L375-M397 HydrophobicContact CD1-CE 3.85Å
398R50.7Low78.7Confident51 Ų5119.5 Ų19.519%0.19210%0.102CC..  cis-162.1163.9-19.4-164.1-153.6167.1129.68.4108.2T329 E330 T356 W358 L400 V401T329-R398 VanDerWaalsContact CB-NH1 3.3Å; T329-R398 WeakPolarHBondContact OG1-CD 3.28Å; T329-R398 WeakPolarHBondContact OG1-CG 3.32Å; T329-R398 PolarHBondContact OG1-NE 2.8Å; T329-R398 PolarHBondContact OG1-NH1 3.46Å; E330-R398 HydrophobicContact CG-CG 4.02Å; E330-R398 WeakPolarHBondContact OE1-CG 3.15Å; E330-R398 IonicContact OE1-NE 3.28Å; E330-R398 IonicContact OE2-CZ 3.1Å; E330-R398 VanDerWaalsContact OE2-CZ 3.24Å; E330-R398 IonicContact OE2-NE 2.73Å; E330-R398 PolarHBondContact OE2-NE 2.63Å; E330-R398 IonicContact OE2-NH2 2.81Å; E330-R398 PolarHBondContact OE2-NH2 3.22Å; T356-R398 PolarHBondContact O-NH1 3.34Å; W358-R398 HydrophobicContact CB-CB 4.27Å; W358-R398 HydrophobicContact CB-CG 4.47Å; W358-R398 HydrophobicContact CG-CB 4.28Å; R398-L400 PolarHBondContact O-N 2.81Å; R398-V401 CarbonylContact C-O 3.55Å; R398-V401 VanDerWaalsContact C-O 3.27Å; R398-V401 PolarHBondContact N-O 3.17Å; R398-V401 WeakPolarHBondContact O-CA 3.34Å; R398-V401 WeakPolarHBondContact O-CB 3.44Å; R398-V401 PolarHBondContact O-N 3.44Å
399N43.6Very low78.8Confident103 Ų10315.1 Ų15.155%0.5518%0.079SC*.THydrogen-bonded Turntrans31.991.3150.5-112.6-23.4000112.4E330 V401E330-N399 VanDerWaalsContact OE1-CA 3.28Å; E330-N399 WeakPolarHBondContact OE1-CA 3.26Å; E330-N399 PolarHBondContact OE1-N 2.74Å; N399-V401 VanDerWaalsContact C-N 3.31Å
400L42.7Very low78.6Confident75 Ų7516.5 Ų16.539%0.3939%0.086SC..THydrogen-bonded Turntrans83.8-13.8-167.2-45.2169.6000114.9R364 R398 K808R364-L400 WeakPolarHBondContact CD-O 3.28Å; R398-L400 PolarHBondContact O-N 2.81Å; L400-K808 HydrophobicContact CD2-CD 4.1Å
401V49.4Very low78.4Confident19 Ų1919.8 Ų19.812%0.11510%0.102CC..SBendtrans-122.2116.5171.9-173.40000110.2V363 R364 R398 N399V363-V401 HydrophobicContact CG2-CB 4.41Å; V363-V401 HydrophobicContact CG2-CG1 4.32Å; V363-V401 HydrophobicContact CG2-CG2 3.95Å; R364-V401 HydrophobicContact CB-CG2 3.62Å; R364-V401 HydrophobicContact CG-CG2 4.33Å; R398-V401 CarbonylContact C-O 3.55Å; R398-V401 VanDerWaalsContact C-O 3.27Å; R398-V401 PolarHBondContact N-O 3.17Å; R398-V401 WeakPolarHBondContact O-CA 3.34Å; R398-V401 WeakPolarHBondContact O-CB 3.44Å; R398-V401 PolarHBondContact O-N 3.44Å; N399-V401 VanDerWaalsContact C-N 3.31Å
402S57.1Low78.2Confident10 Ų1027.3 Ų27.37%0.0714%0.135CC..  trans-71150.9174.574.40000111.6D404 K555 D809S402-D404 PolarHBondContact O-N 3.42Å; S402-K555 PolarHBondContact O-NZ 3.27Å; S402-K555 WeakPolarHBondContact OG-CD 3.47Å; S402-K555 PolarHBondContact OG-NZ 2.83Å; S402-D809 WeakPolarHBondContact CA-OD2 3.21Å; S402-D809 WeakPolarHBondContact CB-OD1 3.38Å; S402-D809 VanDerWaalsContact CB-OD2 3.26Å; S402-D809 WeakPolarHBondContact CB-OD2 3.5Å
403Y69.2Low77.9Confident2 Ų228.4 Ų28.41%0.00814%0.14CC..  trans-55.9133.2151.8-100.5-106000110.4T326 V327 A328 G334 F335 R337 T338 D395T326-Y403 HydrophobicContact CG2-CE1 4.22Å; T326-Y403 WeakPolarHBondContact CG2-OH 3.5Å; T326-Y403 WeakPolarHBondContact OG1-CE1 3.32Å; T326-Y403 PolarHBondContact OG1-OH 3.35Å; V327-Y403 PolarHBondContact N-OH 3.2Å; V327-Y403 PolarHBondContact O-OH 3.17Å; A328-Y403 HydrophobicContact CB-CE2 3.62Å; A328-Y403 WeakPolarHBondContact CB-OH 3.49Å; A328-Y403 PolarHBondContact N-OH 2.81Å; G334-Y403 WeakPolarHBondContact O-CB 3.36Å; F335-Y403 HydrophobicContact CB-CD1 4.48Å; F335-Y403 HydrophobicContact CB-CD2 3.64Å; F335-Y403 HydrophobicContact CB-CE2 4.04Å; F335-Y403 HydrophobicContact CB-CG 3.89Å; F335-Y403 HydrophobicContact CD2-CD1 4.27Å; F335-Y403 HydrophobicContact CD2-CD2 4.08Å; F335-Y403 AromaticContact CD2-CE1 3.86Å; F335-Y403 HydrophobicContact CD2-CE1 3.86Å; F335-Y403 AromaticContact CD2-CE2 3.64Å; F335-Y403 HydrophobicContact CD2-CE2 3.64Å; F335-Y403 HydrophobicContact CD2-CG 4.37Å; F335-Y403 AromaticContact CD2-CZ 3.54Å; F335-Y403 HydrophobicContact CG-CD2 4.35Å; F335-Y403 HydrophobicContact CG-CE2 4.27Å; F335-Y403 VanDerWaalsContact N-CB 3.33Å; R337-Y403 PolarHBondContact NH2-O 2.84Å; T338-Y403 HydrophobicContact CG2-CD1 4.06Å; T338-Y403 HydrophobicContact CG2-CE1 4.35Å; D395-Y403 WeakPolarHBondContact O-CD1 3.37Å; D395-Y403 WeakPolarHBondContact O-CE1 3.46Å
404D84Confident77.8Confident12 Ų1228.3 Ų28.36%0.06414%0.14CC..  trans-136.241.8-175.155.2-5.8000112.3S402 H549 G550 K555 L558S402-D404 PolarHBondContact O-N 3.42Å; D404-H549 CarbonylContact O-C 3.58Å; D404-H549 WeakPolarHBondContact O-CA 3.34Å; D404-H549 PolarHBondContact O-CD2 2.9Å; D404-H549 IonicContact OD1-CD2 3.02Å; D404-H549 IonicContact OD1-NE2 3.89Å; D404-G550 PolarHBondContact O-N 3.41Å; D404-K555 HydrophobicContact CB-CG 4.06Å; D404-K555 IonicContact OD1-NZ 3.45Å; D404-K555 WeakPolarHBondContact OD2-CE 2.99Å; D404-K555 IonicContact OD2-NZ 3.9Å; D404-K555 PolarHBondContact OD2-NZ 3.03Å; D404-L558 VanDerWaalsContact CA-CD2 3.4Å; D404-L558 HydrophobicContact CB-CD2 3.87Å; D404-L558 WeakPolarHBondContact O-CD2 3.46Å
405V93.7Very high77.8Confident0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-120.2142.4167.8-177.40000111.2T338 I394 V407 V547 V548 H549T338-V405 WeakPolarHBondContact CB-O 3.32Å; T338-V405 HydrophobicContact CG2-CB 4.29Å; T338-V405 PolarHBondContact OG1-O 3.04Å; I394-V405 HydrophobicContact CB-CB 4.49Å; I394-V405 HydrophobicContact CB-CG1 4.12Å; I394-V405 HydrophobicContact CB-CG2 4.27Å; I394-V405 HydrophobicContact CD1-CG1 4.15Å; I394-V405 HydrophobicContact CG2-CG1 4.18Å; V405-V407 HydrophobicContact CG1-CG2 4.35Å; V405-V547 HydrophobicContact CG1-CG1 3.83Å; V405-V548 CarbonylContact C-O 3.54Å; V405-V548 VanDerWaalsContact CA-O 3.31Å; V405-V548 WeakPolarHBondContact CA-O 3.29Å; V405-H549 HydrophobicContact CG2-CB 4.41Å
406V94.6Very high78.3Confident1 Ų131.4 Ų31.41%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-128.6130.6164.4179.90000108.3R337 V548 L558 L565R337-V406 HydrophobicContact CG-CG2 4.16Å; V406-V548 PolarHBondContact N-O 2.84Å; V406-V548 PolarHBondContact O-N 2.9Å; V406-L558 HydrophobicContact CB-CD1 4.4Å; V406-L558 HydrophobicContact CG2-CD1 4.03Å; V406-L558 HydrophobicContact CG2-CD2 4.36Å; V406-L558 HydrophobicContact CG2-CG 4.13Å; V406-L565 HydrophobicContact CG1-CB 3.84Å
407V94.9Very high79.5Confident0 Ų033.5 Ų33.50%016%0.16CC..EExtended strand (participates in β ladder)trans-99.1136.4174.9-175.70000109.8S341 L342 F345 L347 I394 V405 I414 L546S341-V407 WeakPolarHBondContact CB-O 3.06Å; S341-V407 PolarHBondContact OG-N 3.35Å; S341-V407 VanDerWaalsContact OG-N 3.11Å; L342-V407 HydrophobicContact CD2-CB 4.27Å; L342-V407 HydrophobicContact CD2-CG2 3.77Å; F345-V407 WeakPolarHBondContact CE2-O 3.14Å; L347-V407 HydrophobicContact CD1-CB 4.48Å; L347-V407 HydrophobicContact CD1-CG1 3.7Å; I394-V407 HydrophobicContact CD1-CG2 4.23Å; V405-V407 HydrophobicContact CG1-CG2 4.35Å; V407-I414 HydrophobicContact CG1-CD1 4.06Å; V407-L546 CarbonylContact C-O 3.58Å; V407-L546 WeakPolarHBondContact CA-O 3.23Å
408N93.4Very high81.5Confident1 Ų133.2 Ų33.21%0.00516%0.159CC..  trans-130.735.4-175.9-157.955.6000112.1R532 V534 L546 G566N408-R532 WeakPolarHBondContact O-CD 3.45Å; N408-V534 PolarHBondContact ND2-O 3.22Å; N408-L546 PolarHBondContact N-O 3.21Å; N408-G566 PolarHBondContact OD1-N 3.14Å
409G91.7Very high83.6Confident1 Ų134 Ų341%0.0117%0.166CC..SBendtrans-159158.3179.700000111.7F345F345-G409 WeakPolarHBondContact CB-O 3.19Å; F345-G409 VanDerWaalsContact CG-O 3.31Å; F345-G409 WeakPolarHBondContact CG-O 3.37Å
410D91.9Very high86Confident34 Ų3434.2 Ų34.218%0.18216%0.164CC..  trans-92172.1176.371.6-1.6000112.8F345 K412 L413 I414 R531F345-D410 HydrophobicContact CB-CB 4.18Å; F345-D410 HydrophobicContact CD1-CB 4.23Å; D410-K412 VanDerWaalsContact C-N 3.26Å; D410-K412 PolarHBondContact O-N 2.91Å; D410-L413 PolarHBondContact O-N 2.8Å; D410-L413 WeakPolarHBondContact OD1-CB 3.24Å; D410-L413 PolarHBondContact OD1-N 2.79Å; D410-L413 VanDerWaalsContact OD1-N 3.12Å; D410-I414 WeakPolarHBondContact O-CG1 3.42Å; D410-I414 PolarHBondContact O-N 3.24Å; D410-R531 IonicContact OD2-CZ 2.62Å; D410-R531 IonicContact OD2-NH1 3.59Å; D410-R531 IonicContact OD2-NH2 3.4Å; D410-R531 PolarHBondContact OD2-NH2 3.07Å
411E93.7Very high88.5Confident69 Ų6932.1 Ų32.132%0.32216%0.156SC..Hα-helixtrans-52-46.1-177.2168.5166.1-155.200111.8L322 L347 L413 I414 L415L322-E411 HydrophobicContact CB-CB 4.45Å; L322-E411 HydrophobicContact CB-CG 3.69Å; L322-E411 WeakPolarHBondContact CB-OE1 3.16Å; L322-E411 HydrophobicContact CD2-CB 4.27Å; L322-E411 HydrophobicContact CD2-CG 4.29Å; L322-E411 PolarHBondContact N-OE1 3Å; L347-E411 HydrophobicContact CD2-CB 3.96Å; E411-L413 PolarHBondContact O-N 2.85Å; E411-I414 PolarHBondContact O-N 2.95Å; E411-L415 HydrophobicContact CG-CD1 3.74Å; E411-L415 HydrophobicContact CG-CG 4.44Å; E411-L415 WeakPolarHBondContact O-CB 3.42Å; E411-L415 VanDerWaalsContact O-CG 3.28Å; E411-L415 WeakPolarHBondContact O-CG 3.37Å; E411-L415 PolarHBondContact O-N 3.47Å
412K92Very high90.6Very high158 Ų15833.2 Ų33.269%0.68717%0.171SC*.Hα-helixtrans-58.9-49.2-179.8-175.7-175.9177.3-175.50111.7D410 E416D410-K412 VanDerWaalsContact C-N 3.26Å; D410-K412 PolarHBondContact O-N 2.91Å; K412-E416 WeakPolarHBondContact O-CB 3.49Å; K412-E416 PolarHBondContact O-N 3.2Å
413L91.4Very high92.5Very high23 Ų2333 Ų3312%0.1217%0.17CC..Hα-helixtrans-72.5-33.7-175.9-16768.7000112.4D410 E411 E416 R417 R532 L546D410-L413 PolarHBondContact O-N 2.8Å; D410-L413 WeakPolarHBondContact OD1-CB 3.24Å; D410-L413 PolarHBondContact OD1-N 2.79Å; D410-L413 VanDerWaalsContact OD1-N 3.12Å; E411-L413 PolarHBondContact O-N 2.85Å; L413-E416 PolarHBondContact O-N 3.25Å; L413-R417 WeakPolarHBondContact O-CG 3.04Å; L413-R417 PolarHBondContact O-N 3.17Å; L413-R417 VanDerWaalsContact O-N 3.12Å; L413-R532 VanDerWaalsContact CD2-NH1 3.31Å; L413-L546 HydrophobicContact CB-CD1 4.16Å; L413-L546 HydrophobicContact CD2-CD1 3.85Å; L413-L546 HydrophobicContact CD2-CD2 3.64Å; L413-L546 HydrophobicContact CD2-CG 4.41Å; L413-L546 HydrophobicContact CG-CD1 3.7Å; L413-L546 HydrophobicContact CG-CD2 4.38Å
414I95.6Very high93.8Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-64.7-47.7173.9-69.7167.3000110.5L322 L347 L392 V407 D410 E411 R417 F418 I459 L507 L546L322-I414 HydrophobicContact CD1-CG2 4.41Å; L322-I414 HydrophobicContact CD2-CB 4.07Å; L322-I414 HydrophobicContact CD2-CD1 4.2Å; L322-I414 HydrophobicContact CD2-CG2 3.75Å; L347-I414 HydrophobicContact CD1-CD1 4.08Å; L347-I414 HydrophobicContact CD2-CD1 4.16Å; L392-I414 HydrophobicContact CD2-CD1 4.35Å; L392-I414 HydrophobicContact CD2-CG2 4.24Å; V407-I414 HydrophobicContact CG1-CD1 4.06Å; D410-I414 WeakPolarHBondContact O-CG1 3.42Å; D410-I414 PolarHBondContact O-N 3.24Å; E411-I414 PolarHBondContact O-N 2.95Å; I414-R417 PolarHBondContact O-N 2.8Å; I414-F418 PolarHBondContact O-N 3.44Å; I414-I459 HydrophobicContact CG2-CD1 3.68Å; I414-L507 HydrophobicContact CG1-CD1 4.38Å; I414-L507 HydrophobicContact CG2-CD1 4.3Å; I414-L546 HydrophobicContact CG1-CD1 3.97Å
415L96.2Very high94.5Very high18 Ų1835.3 Ų35.39%0.09418%0.18CC..Hα-helixtrans-63.8-40176.1-69.9171.8000111.6E320 L322 V390 E411 R417 F418 L419E320-L415 HydrophobicContact CB-CD2 4.45Å; E320-L415 VanDerWaalsContact O-CD1 3.31Å; E320-L415 WeakPolarHBondContact O-CD1 3.33Å; L322-L415 HydrophobicContact CB-CD1 4.37Å; L322-L415 HydrophobicContact CB-CD2 4.36Å; L322-L415 HydrophobicContact CB-CG 4.39Å; L322-L415 HydrophobicContact CD1-CD2 4.26Å; V390-L415 HydrophobicContact CB-CD2 3.82Å; V390-L415 HydrophobicContact CG1-CD2 3.95Å; V390-L415 HydrophobicContact CG2-CD2 3.96Å; E411-L415 HydrophobicContact CG-CD1 3.74Å; E411-L415 HydrophobicContact CG-CG 4.44Å; E411-L415 WeakPolarHBondContact O-CB 3.42Å; E411-L415 VanDerWaalsContact O-CG 3.28Å; E411-L415 WeakPolarHBondContact O-CG 3.37Å; E411-L415 PolarHBondContact O-N 3.47Å; L415-R417 PolarHBondContact O-N 2.76Å; L415-F418 PolarHBondContact O-N 2.99Å; L415-L419 WeakPolarHBondContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CG 3.35Å; L415-L419 PolarHBondContact O-N 2.95Å
416E94.1Very high94.7Very high71 Ų7135.6 Ų35.633%0.33218%0.181SC..Hα-helixtrans-56.3-48.5175.3-168.4-160.9123.200111.7K412 L413 Q420K412-E416 WeakPolarHBondContact O-CB 3.49Å; K412-E416 PolarHBondContact O-N 3.2Å; L413-E416 PolarHBondContact O-N 3.25Å; E416-Q420 WeakPolarHBondContact O-CB 3.49Å; E416-Q420 WeakPolarHBondContact O-CG 3.38Å; E416-Q420 PolarHBondContact O-N 2.89Å; E416-Q420 PolarHBondContact OE1-NE2 3.36Å
417R94.8Very high94.9Very high48 Ų4835.7 Ų35.718%0.18118%0.182CC..Hα-helixtrans-66.2-38.8177.7-68.9-70173.2-83.4-14.1112.4L413 I414 L415 S421 E506 L507 L546L413-R417 WeakPolarHBondContact O-CG 3.04Å; L413-R417 PolarHBondContact O-N 3.17Å; L413-R417 VanDerWaalsContact O-N 3.12Å; I414-R417 PolarHBondContact O-N 2.8Å; L415-R417 PolarHBondContact O-N 2.76Å; R417-S421 PolarHBondContact O-N 3.1Å; R417-E506 WeakPolarHBondContact CD-O 3.36Å; R417-L507 HydrophobicContact CB-CB 4.18Å; R417-L507 HydrophobicContact CB-CD1 4.19Å; R417-L546 HydrophobicContact CG-CD1 4.12Å
418F96.9Very high95.1Very high1 Ų135.7 Ų35.70%0.00418%0.182CC..Hα-helixtrans-62.7-50.2175.7172.5-121.9000111.8V390 I414 L415 Q420 S421 A423 L426 I459 Y461V390-F418 HydrophobicContact CG1-CD1 3.86Å; V390-F418 HydrophobicContact CG1-CE1 3.85Å; V390-F418 HydrophobicContact CG2-CD1 4.25Å; V390-F418 HydrophobicContact CG2-CE1 3.9Å; I414-F418 PolarHBondContact O-N 3.44Å; L415-F418 PolarHBondContact O-N 2.99Å; F418-Q420 VanDerWaalsContact C-N 3.33Å; F418-Q420 PolarHBondContact O-N 3.28Å; F418-S421 VanDerWaalsContact O-CB 3.32Å; F418-S421 WeakPolarHBondContact O-CB 3.49Å; F418-S421 PolarHBondContact O-N 3.15Å; F418-S421 PolarHBondContact O-OG 3.13Å; F418-A423 HydrophobicContact CE2-CB 4.43Å; F418-A423 WeakPolarHBondContact CZ-O 3.42Å; F418-L426 HydrophobicContact CD2-CB 4.28Å; F418-L426 HydrophobicContact CE2-CB 4.36Å; F418-I459 HydrophobicContact CB-CD1 4Å; F418-I459 HydrophobicContact CB-CG1 4.49Å; F418-I459 HydrophobicContact CB-CG2 4.24Å; F418-I459 HydrophobicContact CD2-CB 4.41Å; F418-I459 HydrophobicContact CD2-CG1 4.22Å; F418-I459 HydrophobicContact CD2-CG2 3.49Å; F418-I459 VanDerWaalsContact CD2-CG2 3.49Å; F418-I459 HydrophobicContact CE2-CG2 4.12Å; F418-I459 HydrophobicContact CG-CD1 4.16Å; F418-I459 HydrophobicContact CG-CG1 4.15Å; F418-I459 HydrophobicContact CG-CG2 4.05Å; F418-Y461 HydrophobicContact CE1-CD2 4.3Å; F418-Y461 AromaticContact CE1-CE2 3.81Å; F418-Y461 HydrophobicContact CE1-CE2 3.81Å; F418-Y461 AromaticContact CE1-CZ 4Å; F418-Y461 HydrophobicContact CZ-CD2 4.02Å; F418-Y461 AromaticContact CZ-CE2 3.76Å; F418-Y461 HydrophobicContact CZ-CE2 3.76Å
419L94.5Very high95.3Very high67 Ų6735.9 Ų35.935%0.35118%0.183SC..Hα-helixtrans-61.1-40.4178.3-71.6171.4000111.9V317 L415 S421 G422V317-L419 HydrophobicContact CG1-CD1 4.32Å; L415-L419 WeakPolarHBondContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CG 3.35Å; L415-L419 PolarHBondContact O-N 2.95Å; L419-S421 PolarHBondContact O-N 3.4Å; L419-G422 PolarHBondContact O-N 2.92Å
420Q94.6Very high95.5Very high108 Ų10836.1 Ų36.151%0.50518%0.184SC..Hα-helixtrans-60.5-26.9174.7-76.5165.2-2.100113.5E416 F418 G422E416-Q420 WeakPolarHBondContact O-CB 3.49Å; E416-Q420 WeakPolarHBondContact O-CG 3.38Å; E416-Q420 PolarHBondContact O-N 2.89Å; E416-Q420 PolarHBondContact OE1-NE2 3.36Å; F418-Q420 VanDerWaalsContact C-N 3.33Å; F418-Q420 PolarHBondContact O-N 3.28Å; Q420-G422 VanDerWaalsContact C-N 3.27Å; Q420-G422 PolarHBondContact O-N 2.87Å
421S94.7Very high95.5Very high32 Ų3238.5 Ų38.522%0.22419%0.194CC..Hα-helixtrans-70.6-23.6174.581.80000113.4R417 F418 L419 A423 K500R417-S421 PolarHBondContact O-N 3.1Å; F418-S421 VanDerWaalsContact O-CB 3.32Å; F418-S421 WeakPolarHBondContact O-CB 3.49Å; F418-S421 PolarHBondContact O-N 3.15Å; F418-S421 PolarHBondContact O-OG 3.13Å; L419-S421 PolarHBondContact O-N 3.4Å; S421-A423 PolarHBondContact O-N 3.27Å; S421-A423 WeakPolarHBondContact OG-CB 3.05Å; S421-A423 PolarHBondContact OG-N 3.08Å; S421-K500 WeakPolarHBondContact O-CD 3.39Å; S421-K500 PolarHBondContact O-NZ 3.15Å
422G94.4Very high95.5Very high42 Ų4240.6 Ų40.643%0.43320%0.2SC..THydrogen-bonded Turntrans55.232.6-172.200000113.5L419 Q420 K500L419-G422 PolarHBondContact O-N 2.92Å; Q420-G422 VanDerWaalsContact C-N 3.27Å; Q420-G422 PolarHBondContact O-N 2.87Å; G422-K500 VanDerWaalsContact C-NZ 3.28Å; G422-K500 PolarHBondContact O-NZ 3.15Å
423A96.2Very high95.7Very high6 Ų633.5 Ų33.55%0.0517%0.17CC..  trans-93.1157.317400000110.6F418 S421 L426 K500F418-A423 HydrophobicContact CE2-CB 4.43Å; F418-A423 WeakPolarHBondContact CZ-O 3.42Å; S421-A423 PolarHBondContact O-N 3.27Å; S421-A423 WeakPolarHBondContact OG-CB 3.05Å; S421-A423 PolarHBondContact OG-N 3.08Å; A423-L426 HydrophobicContact CB-CB 3.95Å; A423-L426 HydrophobicContact CB-CD1 4.42Å; A423-K500 HydrophobicContact CB-CB 3.96Å; A423-K500 HydrophobicContact CB-CD 3.89Å; A423-K500 HydrophobicContact CB-CG 4.11Å
424K96.8Very high95.8Very high61 Ų6137.4 Ų37.427%0.26518%0.184SC..SBendtrans-92.1-26.6160.1-60.6-59.5-175.8-176.80112.3G460 Y461 Y464 E498K424-G460 WeakPolarHBondContact O-CA 3.47Å; K424-Y461 HydrophobicContact CB-CD2 4.19Å; K424-Y461 HydrophobicContact CD-CD2 3.58Å; K424-Y461 HydrophobicContact CD-CE2 3.42Å; K424-Y461 VanDerWaalsContact CD-CE2 3.42Å; K424-Y461 HydrophobicContact CG-CD2 4.5Å; K424-Y461 PolarHBondContact O-N 3.25Å; K424-Y464 HydrophobicContact CB-CD1 3.57Å; K424-Y464 HydrophobicContact CB-CE1 3.75Å; K424-Y464 HydrophobicContact CB-CG 4.03Å; K424-Y464 HydrophobicContact CG-CD1 4.14Å; K424-Y464 HydrophobicContact CG-CE1 3.77Å; K424-E498 HydrophobicContact CB-CB 3.98Å; K424-E498 HydrophobicContact CG-CB 3.8Å; K424-E498 HydrophobicContact CG-CG 4.08Å; K424-E498 WeakPolarHBondContact CG-OE1 3.47Å; K424-E498 PolarHBondContact N-O 3.5Å
425V98Very high95.7Very high1 Ų139 Ų391%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-138.3122166-171.10000109F427 I459 V465 L468 I499 K500V425-F427 HydrophobicContact CB-CE2 4.49Å; V425-F427 HydrophobicContact CG1-CD2 4.02Å; V425-F427 HydrophobicContact CG1-CE2 3.52Å; V425-F427 HydrophobicContact CG1-CZ 4.13Å; V425-I459 CarbonylContact C-O 3.52Å; V425-I459 WeakPolarHBondContact CA-O 3.43Å; V425-V465 HydrophobicContact CG2-CG2 4.24Å; V425-L468 HydrophobicContact CB-CD1 4.47Å; V425-L468 HydrophobicContact CG1-CD1 4.26Å; V425-L468 HydrophobicContact CG2-CD1 4.24Å; V425-I499 WeakPolarHBondContact O-CA 3.34Å; V425-K500 PolarHBondContact O-N 3.33Å
426L98.5Very high95.6Very high6 Ų641.1 Ų41.13%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-112.1113.2177.8-177.470.4000109.2F418 A423 F458 I459 K500 D502 L507 F508F418-L426 HydrophobicContact CD2-CB 4.28Å; F418-L426 HydrophobicContact CE2-CB 4.36Å; A423-L426 HydrophobicContact CB-CB 3.95Å; A423-L426 HydrophobicContact CB-CD1 4.42Å; L426-F458 CarbonylContact O-C 3.59Å; L426-F458 VanDerWaalsContact O-CA 3.24Å; L426-F458 WeakPolarHBondContact O-CA 3.24Å; L426-F458 WeakPolarHBondContact O-CB 3.25Å; L426-I459 HydrophobicContact CB-CG2 3.94Å; L426-I459 HydrophobicContact CD2-CG2 4.26Å; L426-I459 PolarHBondContact N-O 3.04Å; L426-I459 PolarHBondContact O-N 3.45Å; L426-K500 WeakPolarHBondContact CA-O 3.17Å; L426-K500 HydrophobicContact CD1-CB 3.85Å; L426-D502 HydrophobicContact CD1-CB 4.16Å; L426-D502 HydrophobicContact CD2-CB 4.25Å; L426-D502 HydrophobicContact CG-CB 4.21Å; L426-L507 HydrophobicContact CD2-CD2 4.41Å; L426-F508 HydrophobicContact CD2-CE2 4.14Å; L426-F508 HydrophobicContact CG-CE2 4.24Å
427F98.6Very high95.6Very high2 Ų245.7 Ų45.71%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-89.2150.2171.4-72.7-95.6000111.2V425 L453 F458 L468 Y484 I499 K500 L501 D502V425-F427 HydrophobicContact CB-CE2 4.49Å; V425-F427 HydrophobicContact CG1-CD2 4.02Å; V425-F427 HydrophobicContact CG1-CE2 3.52Å; V425-F427 HydrophobicContact CG1-CZ 4.13Å; F427-L453 HydrophobicContact CB-CD1 3.97Å; F427-L453 HydrophobicContact CB-CG 3.92Å; F427-L453 HydrophobicContact CD1-CD1 3.85Å; F427-L453 HydrophobicContact CD1-CD2 4.09Å; F427-L453 HydrophobicContact CD1-CG 4Å; F427-L453 HydrophobicContact CD2-CD1 3.92Å; F427-L453 HydrophobicContact CE1-CD1 4.35Å; F427-L453 HydrophobicContact CE2-CD1 4.39Å; F427-L453 HydrophobicContact CG-CD1 3.63Å; F427-L453 HydrophobicContact CG-CG 3.98Å; F427-F458 HydrophobicContact CB-CB 4.32Å; F427-F458 HydrophobicContact CD1-CB 3.51Å; F427-F458 AromaticContact CD1-CD1 3.86Å; F427-F458 HydrophobicContact CD1-CD1 3.86Å; F427-F458 AromaticContact CD1-CG 3.87Å; F427-F458 HydrophobicContact CD1-CG 3.87Å; F427-F458 HydrophobicContact CE1-CB 3.84Å; F427-F458 AromaticContact CE1-CD1 3.57Å; F427-F458 HydrophobicContact CE1-CD1 3.57Å; F427-F458 HydrophobicContact CE1-CD2 4.36Å; F427-F458 HydrophobicContact CE1-CE1 4.15Å; F427-F458 AromaticContact CE1-CG 3.68Å; F427-F458 HydrophobicContact CE1-CG 3.68Å; F427-F458 HydrophobicContact CG-CB 3.89Å; F427-F458 HydrophobicContact CZ-CB 4.49Å; F427-F458 HydrophobicContact CZ-CD1 4.49Å; F427-F458 HydrophobicContact CZ-CG 4.31Å; F427-L468 HydrophobicContact CE2-CD1 4.11Å; F427-L468 HydrophobicContact CZ-CD1 4.25Å; F427-Y484 AromaticContact CE1-CD1 3.58Å; F427-Y484 HydrophobicContact CE1-CD1 3.58Å; F427-Y484 HydrophobicContact CE1-CD2 4.32Å; F427-Y484 HydrophobicContact CE1-CE1 4.11Å; F427-Y484 AromaticContact CE1-CG 3.69Å; F427-Y484 HydrophobicContact CE1-CG 3.69Å; F427-Y484 AromaticContact CZ-CD1 3.52Å; F427-Y484 HydrophobicContact CZ-CD1 3.52Å; F427-Y484 HydrophobicContact CZ-CE1 4.09Å; F427-Y484 HydrophobicContact CZ-CG 4.05Å; F427-I499 HydrophobicContact CD2-CG2 3.5Å; F427-I499 HydrophobicContact CE2-CG2 3.61Å; F427-K500 PolarHBondContact N-O 2.91Å; F427-L501 HydrophobicContact CB-CD2 3.89Å; F427-L501 CarbonylContact O-C 3.27Å; F427-L501 WeakPolarHBondContact O-CA 3.38Å; F427-D502 PolarHBondContact O-N 3.12Å
428S98.2Very high95.6Very high0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-64.1149.9166.874.80000111.4N454 A457 N510S428-N454 PolarHBondContact O-N 2.8Å; S428-N454 WeakPolarHBondContact OG-CB 3.48Å; S428-N454 PolarHBondContact OG-O 3.08Å; S428-N454 VanDerWaalsContact OG-O 3.1Å; S428-A457 VanDerWaalsContact CB-O 3.29Å; S428-A457 WeakPolarHBondContact CB-O 3.41Å; S428-A457 PolarHBondContact N-O 3.01Å; S428-A457 PolarHBondContact OG-O 2.82Å; S428-N510 VanDerWaalsContact CB-ND2 3.33Å; S428-N510 WeakPolarHBondContact CB-ND2 3.26Å; S428-N510 PolarHBondContact OG-ND2 2.87Å
429A98Very high95.6Very high5 Ų548.8 Ų48.84%0.04125%0.25CS..EExtended strand (participates in β ladder)trans-110.6149.7178.700000112.2K450 Y452 L501 D502 N510A429-K450 HydrophobicContact CB-CB 3.85Å; A429-Y452 CarbonylContact C-O 3.53Å; A429-Y452 VanDerWaalsContact CA-O 3.25Å; A429-Y452 WeakPolarHBondContact CA-O 3.28Å; A429-L501 HydrophobicContact CB-CB 4.19Å; A429-D502 VanDerWaalsContact CB-O 3.24Å; A429-D502 WeakPolarHBondContact CB-O 3.45Å; A429-N510 PolarHBondContact O-ND2 3.48Å
430E95.6Very high95.7Very high7 Ų746.5 Ų46.53%0.03324%0.241CC..EExtended strand (participates in β ladder)trans-136.2169178.772.3160.4104.300114.4Y432 R451 Y452 N454 Q481 N510E430-Y432 WeakPolarHBondContact CG-O 3.44Å; E430-R451 PolarHBondContact O-N 2.94Å; E430-Y452 PolarHBondContact N-O 3.22Å; E430-Y452 PolarHBondContact O-N 3.17Å; E430-N454 HydrophobicContact CB-CB 4.1Å; E430-N454 HydrophobicContact CG-CB 4Å; E430-N454 PolarHBondContact OE1-ND2 3.14Å; E430-Q481 PolarHBondContact OE1-NE2 2.92Å; E430-N510 HydrophobicContact CB-CB 4.24Å
431Q93Very high95.7Very high83 Ų8347.6 Ų47.639%0.38826%0.255SS..SBendtrans-74.8-23-175.9-171.459.947.300113.2K450 Y452Q431-K450 HydrophobicContact CB-CD 4.29Å; Q431-Y452 WeakPolarHBondContact O-CD2 3.46Å; Q431-Y452 WeakPolarHBondContact O-CE2 3.25Å
432Y94Very high95.7Very high113 Ų11349.4 Ų49.444%0.44327%0.268SS..SBendtrans-118.5139.7-171.1-53.4-70000112.6E430 W434 Y452E430-Y432 WeakPolarHBondContact CG-O 3.44Å; Y432-W434 PolarHBondContact O-N 2.88Å; Y432-Y452 VanDerWaalsContact O-CB 3.32Å; Y432-Y452 WeakPolarHBondContact O-CB 3.28Å
433C96.1Very high95.8Very high10 Ų1047.7 Ų47.77%0.06825%0.248CC..  trans-81.8106.6168.5-167.90000108.3D436 K437 A440 Y452C433-D436 PolarHBondContact SG-O 2.78Å; C433-K437 VanDerWaalsContact O-CG 3.31Å; C433-K437 WeakPolarHBondContact O-CG 3.27Å; C433-A440 HydrophobicContact CB-CB 3.77Å; C433-A440 PolarHBondContact SG-N 2.97Å; C433-A440 VanDerWaalsContact SG-N 3.44Å; C433-Y452 HydrophobicContact CB-CD1 3.66Å; C433-Y452 HydrophobicContact CB-CD2 4.18Å; C433-Y452 HydrophobicContact CB-CE1 3.86Å; C433-Y452 HydrophobicContact CB-CE2 4.34Å; C433-Y452 HydrophobicContact CB-CG 3.83Å
434W92.9Very high95.7Very high105 Ų10549.7 Ų49.740%0.39826%0.261SS..  trans-135.2144.2-175.5-172.894.2000110.3I367 Y432 D479 Q481I367-W434 HydrophobicContact CG2-CH2 4.16Å; I367-W434 HydrophobicContact CG2-CZ2 4.14Å; Y432-W434 PolarHBondContact O-N 2.88Å; W434-D479 VanDerWaalsContact CH2-OD2 3.26Å; W434-D479 WeakPolarHBondContact CH2-OD2 3.46Å; W434-D479 WeakPolarHBondContact CZ3-OD2 3.32Å; W434-Q481 HydrophobicContact CE3-CB 4.07Å; W434-Q481 HydrophobicContact CE3-CG 4.28Å; W434-Q481 HydrophobicContact CZ3-CB 3.97Å; W434-Q481 PolarHBondContact O-NE2 2.85Å; W434-Q481 VanDerWaalsContact O-NE2 3.09Å
435P92.5Very high95.4Very high33 Ų3353.2 Ų53.221%0.21429%0.287CS..SBendcis-79.8-28.6-0.931.7-36.1000114I367 K437 D479 L482I367-P435 HydrophobicContact CG2-CB 3.51Å; I367-P435 HydrophobicContact CG2-CG 3.93Å; P435-K437 PolarHBondContact O-N 2.79Å; P435-D479 WeakPolarHBondContact CD-OD1 3.38Å; P435-D479 HydrophobicContact CG-CB 4.5Å; P435-D479 WeakPolarHBondContact CG-OD1 3.48Å; P435-L482 HydrophobicContact CG-CB 3.92Å; P435-L482 HydrophobicContact CG-CD1 4.27Å; P435-L482 HydrophobicContact CG-CD2 4.25Å; P435-L482 HydrophobicContact CG-CG 4.37Å
436D94.5Very high95Very high62 Ų6255.9 Ų55.933%0.33230%0.301SS..  trans-91.2104.6-177-173-9.9000111.6C433 S438 L439 L482C433-D436 PolarHBondContact SG-O 2.78Å; D436-S438 VanDerWaalsContact CG-OG 3.26Å; D436-S438 PolarHBondContact O-N 3.04Å; D436-S438 VanDerWaalsContact OD1-CB 3.26Å; D436-S438 WeakPolarHBondContact OD1-CB 3.23Å; D436-S438 PolarHBondContact OD1-N 3.2Å; D436-S438 PolarHBondContact OD1-OG 2.85Å; D436-S438 PolarHBondContact OD2-OG 2.9Å; D436-L439 HydrophobicContact CB-CD1 3.89Å; D436-L439 HydrophobicContact CB-CG 3.98Å; D436-L439 PolarHBondContact O-N 2.79Å; D436-L482 HydrophobicContact CB-CD1 4.19Å
437K94.2Very high94.3Very high168 Ų16866.3 Ų66.373%0.7335%0.345SS*.G310 helixtrans-66.7-21.9178.1-69.5177.6-179.4178.30113.6C433 P435 L439 A440C433-K437 VanDerWaalsContact O-CG 3.31Å; C433-K437 WeakPolarHBondContact O-CG 3.27Å; P435-K437 PolarHBondContact O-N 2.79Å; K437-L439 PolarHBondContact O-N 2.9Å; K437-A440 VanDerWaalsContact O-CB 3.27Å; K437-A440 WeakPolarHBondContact O-CB 3.31Å; K437-A440 PolarHBondContact O-N 2.87Å
438S96.1Very high93.8Very high80 Ų8072.8 Ų72.856%0.55937%0.37SS*.G310 helixtrans-67.4-28.6-179.574.30000112D436 A440D436-S438 VanDerWaalsContact CG-OG 3.26Å; D436-S438 PolarHBondContact O-N 3.04Å; D436-S438 VanDerWaalsContact OD1-CB 3.26Å; D436-S438 WeakPolarHBondContact OD1-CB 3.23Å; D436-S438 PolarHBondContact OD1-N 3.2Å; D436-S438 PolarHBondContact OD1-OG 2.85Å; D436-S438 PolarHBondContact OD2-OG 2.9Å; S438-A440 PolarHBondContact O-N 2.87Å
439L96.7Very high93.5Very high34 Ų3473.8 Ų73.818%0.17838%0.38CS..G310 helixtrans-67.4-12.8177.9-59.3-179.1000113.6D436 K437 V441 S442 Y443 L482 T485 L489D436-L439 HydrophobicContact CB-CD1 3.89Å; D436-L439 HydrophobicContact CB-CG 3.98Å; D436-L439 PolarHBondContact O-N 2.79Å; K437-L439 PolarHBondContact O-N 2.9Å; L439-V441 PolarHBondContact O-N 3.48Å; L439-V441 VanDerWaalsContact O-N 3.08Å; L439-S442 WeakPolarHBondContact O-CB 3.45Å; L439-S442 PolarHBondContact O-N 3.44Å; L439-Y443 WeakPolarHBondContact O-CD2 3.45Å; L439-Y443 PolarHBondContact O-N 3.17Å; L439-L482 HydrophobicContact CD1-CD1 3.8Å; L439-T485 HydrophobicContact CD1-CG2 3.78Å; L439-L489 HydrophobicContact CB-CD1 3.8Å; L439-L489 HydrophobicContact CD1-CD1 4.11Å; L439-L489 HydrophobicContact CD2-CD1 4.31Å; L439-L489 HydrophobicContact CG-CD1 4.29Å
440A95.4Very high93.4Very high19 Ų1974.3 Ų74.316%0.15738%0.382CS..G310 helixtrans-59.1-22.4179.700000113.8C433 K437 S438 R451 Y452C433-A440 HydrophobicContact CB-CB 3.77Å; C433-A440 PolarHBondContact SG-N 2.97Å; C433-A440 VanDerWaalsContact SG-N 3.44Å; K437-A440 VanDerWaalsContact O-CB 3.27Å; K437-A440 WeakPolarHBondContact O-CB 3.31Å; K437-A440 PolarHBondContact O-N 2.87Å; S438-A440 PolarHBondContact O-N 2.87Å; A440-R451 PolarHBondContact O-NH1 3.21Å; A440-R451 PolarHBondContact O-NH2 2.86Å; A440-Y452 HydrophobicContact CB-CE1 3.82Å
441V94.6Very high93.4Very high130 Ų13076.7 Ų76.779%0.78839%0.39SS*.G310 helixtrans-74.4-35.1175.1-172.60000111.1L439L439-V441 PolarHBondContact O-N 3.48Å; L439-V441 VanDerWaalsContact O-N 3.08Å
442S95.4Very high93.6Very high71 Ų7174.8 Ų74.850%0.49738%0.38SS..THydrogen-bonded Turntrans-77.2-19.7-177.5-500000114L439 L489L439-S442 WeakPolarHBondContact O-CB 3.45Å; L439-S442 PolarHBondContact O-N 3.44Å; S442-L489 WeakPolarHBondContact O-CD2 3.42Å
443Y97.2Very high93.8Very high5 Ų569.5 Ų69.52%0.0236%0.359CS..SBendtrans-62.7143.5175.7-88.8-92.7000111.3L439 V445 R451 Y452 L453 T485 F488 L489 L501L439-Y443 WeakPolarHBondContact O-CD2 3.45Å; L439-Y443 PolarHBondContact O-N 3.17Å; Y443-V445 PolarHBondContact O-N 2.95Å; Y443-R451 VanDerWaalsContact CD1-O 3.23Å; Y443-R451 WeakPolarHBondContact CD1-O 3.31Å; Y443-R451 PolarHBondContact O-NH2 3.28Å; Y443-Y452 HydrophobicContact CD1-CD1 4.12Å; Y443-Y452 AromaticContact CD2-CD1 3.66Å; Y443-Y452 HydrophobicContact CD2-CD1 3.66Å; Y443-Y452 HydrophobicContact CD2-CE1 4.16Å; Y443-Y452 HydrophobicContact CE1-CD1 4.38Å; Y443-Y452 AromaticContact CE2-CD1 3.94Å; Y443-Y452 HydrophobicContact CE2-CD1 3.94Å; Y443-Y452 AromaticContact CG-CD1 3.76Å; Y443-Y452 HydrophobicContact CG-CD1 3.76Å; Y443-Y452 HydrophobicContact CG-CE1 4.22Å; Y443-L453 HydrophobicContact CE1-CB 4.25Å; Y443-L453 WeakPolarHBondContact OH-CB 3.3Å; Y443-L453 PolarHBondContact OH-N 3.34Å; Y443-T485 HydrophobicContact CE2-CG2 4.02Å; Y443-T485 WeakPolarHBondContact OH-CG2 3.3Å; Y443-T485 PolarHBondContact OH-OG1 3.27Å; Y443-F488 HydrophobicContact CD1-CD1 4.1Å; Y443-F488 AromaticContact CD1-CE1 3.68Å; Y443-F488 HydrophobicContact CD1-CE1 3.68Å; Y443-F488 AromaticContact CE1-CD1 3.68Å; Y443-F488 HydrophobicContact CE1-CD1 3.68Å; Y443-F488 AromaticContact CE1-CE1 3.67Å; Y443-F488 HydrophobicContact CE1-CE1 3.67Å; Y443-L489 HydrophobicContact CD1-CD2 4.2Å; Y443-L489 HydrophobicContact CD2-CD1 4.29Å; Y443-L489 HydrophobicContact CD2-CD2 3.72Å; Y443-L489 HydrophobicContact CD2-CG 4.44Å; Y443-L489 HydrophobicContact CE1-CD2 4.43Å; Y443-L489 HydrophobicContact CE2-CD1 4.01Å; Y443-L489 HydrophobicContact CE2-CD2 4Å; Y443-L489 HydrophobicContact CE2-CG 4.26Å; Y443-L489 HydrophobicContact CG-CD2 3.83Å; Y443-L501 HydrophobicContact CD1-CD1 4.37Å; Y443-L501 HydrophobicContact CE1-CD1 4.12Å
444P93.6Very high93.9Very high49 Ų4969.3 Ų69.332%0.31836%0.358SS..PPolyproline II helixtrans-51.3142.8168.8-27.135.8000112R451 F488P444-R451 PolarHBondContact O-NE 2.97Å; P444-F488 HydrophobicContact CG-CE1 4.4Å; P444-F488 HydrophobicContact CG-CZ 4.38Å
445V90.7Very high94Very high134 Ų13464.5 Ų64.581%0.81234%0.34SS*.PPolyproline II helixtrans-81.2123.6174-179.20000108.5Y443Y443-V445 PolarHBondContact O-N 2.95Å
446I89.8Confident94Very high58 Ų5862.9 Ų62.930%0.29733%0.329SS..  trans-108.2146.3177.461.5170.1000110.7G449 K450 R451I446-G449 WeakPolarHBondContact CD1-O 3.35Å; I446-K450 VanDerWaalsContact CD1-O 3.23Å; I446-K450 WeakPolarHBondContact CD1-O 3.33Å; I446-R451 HydrophobicContact CD1-CB 3.8Å; I446-R451 HydrophobicContact CD1-CG 4.33Å; I446-R451 HydrophobicContact CG1-CB 4.05Å; I446-R451 HydrophobicContact CG1-CG 4.13Å
447K82.5Confident94.1Very high224 Ų22460 Ų6097%0.97431%0.314SS*.SBendtrans-79.9-32177.8-67-175.1178.1-177.40113.1
448R88.4Confident94.2Very high139 Ų13952 Ų5253%0.52528%0.28SS..SBendtrans-149.2142.4-175.8-174.2-179.3-174.2-144.10.5108A540 Y541R448-A540 PolarHBondContact NH2-O 3.27Å; R448-Y541 HydrophobicContact CG-CD1 4.34Å; R448-Y541 HydrophobicContact CG-CE1 4.4Å; R448-Y541 VanDerWaalsContact NH2-CA 3.35Å; R448-Y541 PolarHBondContact NH2-O 3.27Å
449G91.9Very high94.3Very high21 Ų2148.2 Ų48.222%0.21625%0.253CS..SBendtrans112.4178.2177.600000114.8I446 S503I446-G449 WeakPolarHBondContact CD1-O 3.35Å; G449-S503 CarbonylContact C-O 3.56Å; G449-S503 WeakPolarHBondContact CA-O 3.42Å
450K95.3Very high94.4Very high15 Ų1546.6 Ų46.67%0.06524%0.244CC..  trans-80.1137.5169-54.9-62.3179178.20108.9A429 Q431 I446 S503 G513 D517 Y541A429-K450 HydrophobicContact CB-CB 3.85Å; Q431-K450 HydrophobicContact CB-CD 4.29Å; I446-K450 VanDerWaalsContact CD1-O 3.23Å; I446-K450 WeakPolarHBondContact CD1-O 3.33Å; K450-S503 PolarHBondContact N-O 3.05Å; K450-S503 WeakPolarHBondContact O-CB 3.31Å; K450-G513 PolarHBondContact NZ-O 2.71Å; K450-D517 WeakPolarHBondContact CE-OD2 3.45Å; K450-D517 IonicContact NZ-OD2 2.77Å; K450-D517 PolarHBondContact NZ-OD2 2.9Å; K450-Y541 HydrophobicContact CD-CE2 4.49Å; K450-Y541 WeakPolarHBondContact CD-OH 3.48Å; K450-Y541 WeakPolarHBondContact CE-OH 3.21Å; K450-Y541 HydrophobicContact CG-CE2 4.13Å
451R96.1Very high94.5Very high58 Ų5846.8 Ų46.822%0.21924%0.241CC..  trans-100.8-24-163.3-175.3172.5176.1-133.90.7115.2E430 A440 Y443 P444 I446 L501E430-R451 PolarHBondContact O-N 2.94Å; A440-R451 PolarHBondContact O-NH1 3.21Å; A440-R451 PolarHBondContact O-NH2 2.86Å; Y443-R451 VanDerWaalsContact CD1-O 3.23Å; Y443-R451 WeakPolarHBondContact CD1-O 3.31Å; Y443-R451 PolarHBondContact O-NH2 3.28Å; P444-R451 PolarHBondContact O-NE 2.97Å; I446-R451 HydrophobicContact CD1-CB 3.8Å; I446-R451 HydrophobicContact CD1-CG 4.33Å; I446-R451 HydrophobicContact CG1-CB 4.05Å; I446-R451 HydrophobicContact CG1-CG 4.13Å; R451-L501 WeakPolarHBondContact O-CD1 3.47Å
452Y98Very high94.5Very high43 Ų4340.6 Ų40.617%0.16920%0.204CC..EExtended strand (participates in β ladder)trans-109.1150.2-166.5-49.4-65.8000111A429 E430 Q431 Y432 C433 A440 Y443A429-Y452 CarbonylContact C-O 3.53Å; A429-Y452 VanDerWaalsContact CA-O 3.25Å; A429-Y452 WeakPolarHBondContact CA-O 3.28Å; E430-Y452 PolarHBondContact N-O 3.22Å; E430-Y452 PolarHBondContact O-N 3.17Å; Q431-Y452 WeakPolarHBondContact O-CD2 3.46Å; Q431-Y452 WeakPolarHBondContact O-CE2 3.25Å; Y432-Y452 VanDerWaalsContact O-CB 3.32Å; Y432-Y452 WeakPolarHBondContact O-CB 3.28Å; C433-Y452 HydrophobicContact CB-CD1 3.66Å; C433-Y452 HydrophobicContact CB-CD2 4.18Å; C433-Y452 HydrophobicContact CB-CE1 3.86Å; C433-Y452 HydrophobicContact CB-CE2 4.34Å; C433-Y452 HydrophobicContact CB-CG 3.83Å; A440-Y452 HydrophobicContact CB-CE1 3.82Å; Y443-Y452 HydrophobicContact CD1-CD1 4.12Å; Y443-Y452 AromaticContact CD2-CD1 3.66Å; Y443-Y452 HydrophobicContact CD2-CD1 3.66Å; Y443-Y452 HydrophobicContact CD2-CE1 4.16Å; Y443-Y452 HydrophobicContact CE1-CD1 4.38Å; Y443-Y452 AromaticContact CE2-CD1 3.94Å; Y443-Y452 HydrophobicContact CE2-CD1 3.94Å; Y443-Y452 AromaticContact CG-CD1 3.76Å; Y443-Y452 HydrophobicContact CG-CD1 3.76Å; Y443-Y452 HydrophobicContact CG-CE1 4.22Å
453L98.1Very high94.5Very high1 Ų137.2 Ų37.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-74.4136.8-179.7-178.4152.4000110.4F427 Y443 Q481 F488 L501F427-L453 HydrophobicContact CB-CD1 3.97Å; F427-L453 HydrophobicContact CB-CG 3.92Å; F427-L453 HydrophobicContact CD1-CD1 3.85Å; F427-L453 HydrophobicContact CD1-CD2 4.09Å; F427-L453 HydrophobicContact CD1-CG 4Å; F427-L453 HydrophobicContact CD2-CD1 3.92Å; F427-L453 HydrophobicContact CE1-CD1 4.35Å; F427-L453 HydrophobicContact CE2-CD1 4.39Å; F427-L453 HydrophobicContact CG-CD1 3.63Å; F427-L453 HydrophobicContact CG-CG 3.98Å; Y443-L453 HydrophobicContact CE1-CB 4.25Å; Y443-L453 WeakPolarHBondContact OH-CB 3.3Å; Y443-L453 PolarHBondContact OH-N 3.34Å; L453-Q481 HydrophobicContact CD2-CG 4.35Å; L453-Q481 PolarHBondContact O-NE2 3.03Å; L453-F488 HydrophobicContact CD1-CB 3.8Å; L453-F488 HydrophobicContact CD1-CG 4.15Å; L453-L501 HydrophobicContact CB-CD2 3.86Å; L453-L501 HydrophobicContact CD1-CD2 3.99Å; L453-L501 HydrophobicContact CG-CD2 4.07Å
454N97.2Very high94.4Very high7 Ų739.4 Ų39.44%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-116.1133.7163.3-176.4-79.3000110.3S428 E430 G456 Q481 N510 H549 N551S428-N454 PolarHBondContact O-N 2.8Å; S428-N454 WeakPolarHBondContact OG-CB 3.48Å; S428-N454 PolarHBondContact OG-O 3.08Å; S428-N454 VanDerWaalsContact OG-O 3.1Å; E430-N454 HydrophobicContact CB-CB 4.1Å; E430-N454 HydrophobicContact CG-CB 4Å; E430-N454 PolarHBondContact OE1-ND2 3.14Å; N454-G456 PolarHBondContact OD1-N 3.17Å; N454-Q481 PolarHBondContact ND2-OE1 3.41Å; N454-Q481 VanDerWaalsContact ND2-OE1 3.1Å; N454-N510 PolarHBondContact OD1-OD1 2.9Å; N454-H549 PolarHBondContact OD1-CE1 3.22Å; N454-H549 VanDerWaalsContact OD1-CE1 3.28Å; N454-H549 PolarHBondContact OD1-ND1 2.9Å; N454-N551 PolarHBondContact ND2-ND2 3.5Å
455S95.4Very high94.5Very high3 Ų337.2 Ų37.22%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-88.5-11.5-174.660.20000115.1A457 D480 Q481 Y484S455-A457 PolarHBondContact O-N 3.18Å; S455-D480 WeakPolarHBondContact CB-OD2 3.23Å; S455-D480 PolarHBondContact OG-OD2 3.31Å; S455-Q481 WeakPolarHBondContact OG-CA 3.49Å; S455-Q481 WeakPolarHBondContact OG-CB 3.42Å; S455-Q481 PolarHBondContact OG-N 2.78Å; S455-Y484 VanDerWaalsContact CB-CD2 3.42Å
456G92.5Very high94.7Very high0 Ų031.7 Ų31.70%014%0.14CC..EExtended strand (participates in β ladder)trans-73.2-8.5-177.500000114.3I394 D395 N454I394-G456 CarbonylContact C-O 3.42Å; I394-G456 WeakPolarHBondContact CA-O 3.43Å; D395-G456 WeakPolarHBondContact CB-O 3.27Å; D395-G456 PolarHBondContact N-O 3.47Å; D395-G456 WeakPolarHBondContact OD2-CA 3.01Å; N454-G456 PolarHBondContact OD1-N 3.17Å
457A95.9Very high95Very high1 Ų133 Ų331%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-149.2134.2164.100000112.2F393 S428 S455 F508 V547F393-A457 WeakPolarHBondContact O-CA 3.44Å; S428-A457 VanDerWaalsContact CB-O 3.29Å; S428-A457 WeakPolarHBondContact CB-O 3.41Å; S428-A457 PolarHBondContact N-O 3.01Å; S428-A457 PolarHBondContact OG-O 2.82Å; S455-A457 PolarHBondContact O-N 3.18Å; A457-F508 HydrophobicContact CB-CD1 3.44Å; A457-F508 VanDerWaalsContact CB-CD1 3.44Å; A457-F508 HydrophobicContact CB-CE1 3.61Å; A457-F508 HydrophobicContact CB-CG 4.33Å; A457-V547 HydrophobicContact CB-CG1 4.26Å
458F98Very high95.6Very high1 Ų122.5 Ų22.50%0.00410%0.098CC..EExtended strand (participates in β ladder)trans-158.1154.9171.759.9-95.3000111.6L376 L392 F393 L426 F427 V465 Y484L376-F458 HydrophobicContact CD2-CE2 4.3Å; L376-F458 HydrophobicContact CD2-CZ 3.67Å; L392-F458 CarbonylContact C-O 3.42Å; F393-F458 HydrophobicContact CB-CD1 4Å; F393-F458 HydrophobicContact CB-CD2 3.91Å; F393-F458 HydrophobicContact CB-CE1 3.66Å; F393-F458 HydrophobicContact CB-CE2 3.55Å; F393-F458 HydrophobicContact CB-CG 4.12Å; F393-F458 HydrophobicContact CB-CZ 3.43Å; F393-F458 VanDerWaalsContact CB-CZ 3.43Å; F393-F458 AromaticContact CD1-CD1 3.9Å; F393-F458 HydrophobicContact CD1-CD1 3.9Å; F393-F458 AromaticContact CD1-CE1 3.36Å; F393-F458 HydrophobicContact CD1-CE1 3.36Å; F393-F458 AromaticContact CD1-CZ 3.88Å; F393-F458 HydrophobicContact CD1-CZ 3.88Å; F393-F458 HydrophobicContact CD2-CZ 4.36Å; F393-F458 HydrophobicContact CE1-CE1 4.19Å; F393-F458 HydrophobicContact CG-CD1 4.29Å; F393-F458 AromaticContact CG-CE1 3.63Å; F393-F458 HydrophobicContact CG-CE1 3.63Å; F393-F458 HydrophobicContact CG-CE2 4.26Å; F393-F458 AromaticContact CG-CZ 3.63Å; F393-F458 HydrophobicContact CG-CZ 3.63Å; F393-F458 PolarHBondContact N-O 2.94Å; F393-F458 PolarHBondContact O-N 3.38Å; F393-F458 VanDerWaalsContact O-N 3.08Å; L426-F458 CarbonylContact O-C 3.59Å; L426-F458 VanDerWaalsContact O-CA 3.24Å; L426-F458 WeakPolarHBondContact O-CA 3.24Å; L426-F458 WeakPolarHBondContact O-CB 3.25Å; F427-F458 HydrophobicContact CB-CB 4.32Å; F427-F458 HydrophobicContact CD1-CB 3.51Å; F427-F458 AromaticContact CD1-CD1 3.86Å; F427-F458 HydrophobicContact CD1-CD1 3.86Å; F427-F458 AromaticContact CD1-CG 3.87Å; F427-F458 HydrophobicContact CD1-CG 3.87Å; F427-F458 HydrophobicContact CE1-CB 3.84Å; F427-F458 AromaticContact CE1-CD1 3.57Å; F427-F458 HydrophobicContact CE1-CD1 3.57Å; F427-F458 HydrophobicContact CE1-CD2 4.36Å; F427-F458 HydrophobicContact CE1-CE1 4.15Å; F427-F458 AromaticContact CE1-CG 3.68Å; F427-F458 HydrophobicContact CE1-CG 3.68Å; F427-F458 HydrophobicContact CG-CB 3.89Å; F427-F458 HydrophobicContact CZ-CB 4.49Å; F427-F458 HydrophobicContact CZ-CD1 4.49Å; F427-F458 HydrophobicContact CZ-CG 4.31Å; F458-V465 HydrophobicContact CE2-CG1 3.94Å; F458-Y484 HydrophobicContact CE1-CE1 4.34Å; F458-Y484 HydrophobicContact CE1-CE2 4.17Å; F458-Y484 AromaticContact CE1-CZ 3.82Å; F458-Y484 HydrophobicContact CZ-CE1 4.31Å; F458-Y484 AromaticContact CZ-CZ 3.97Å; F458-Y484 WeakPolarHBondContact CZ-OH 3.37Å
459I98.5Very high95.9Very high0 Ų015.9 Ų15.90%07%0.073CC..EExtended strand (participates in β ladder)trans-131.5143.2178.6-172.4163.3000110.7L322 V390 V391 L392 I414 F418 V425 L426 L507 F508L322-I459 HydrophobicContact CD1-CD1 3.93Å; V390-I459 HydrophobicContact CG1-CD1 3.77Å; V390-I459 HydrophobicContact CG1-CG1 3.48Å; V390-I459 VanDerWaalsContact CG1-CG1 3.48Å; V391-I459 CarbonylContact O-C 3.56Å; V391-I459 VanDerWaalsContact O-CA 3.28Å; V391-I459 WeakPolarHBondContact O-CA 3.3Å; L392-I459 HydrophobicContact CB-CD1 4.09Å; L392-I459 HydrophobicContact CB-CG1 4.22Å; L392-I459 HydrophobicContact CD1-CB 4.2Å; I414-I459 HydrophobicContact CG2-CD1 3.68Å; F418-I459 HydrophobicContact CB-CD1 4Å; F418-I459 HydrophobicContact CB-CG1 4.49Å; F418-I459 HydrophobicContact CB-CG2 4.24Å; F418-I459 HydrophobicContact CD2-CB 4.41Å; F418-I459 HydrophobicContact CD2-CG1 4.22Å; F418-I459 HydrophobicContact CD2-CG2 3.49Å; F418-I459 VanDerWaalsContact CD2-CG2 3.49Å; F418-I459 HydrophobicContact CE2-CG2 4.12Å; F418-I459 HydrophobicContact CG-CD1 4.16Å; F418-I459 HydrophobicContact CG-CG1 4.15Å; F418-I459 HydrophobicContact CG-CG2 4.05Å; V425-I459 CarbonylContact C-O 3.52Å; V425-I459 WeakPolarHBondContact CA-O 3.43Å; L426-I459 HydrophobicContact CB-CG2 3.94Å; L426-I459 HydrophobicContact CD2-CG2 4.26Å; L426-I459 PolarHBondContact N-O 3.04Å; L426-I459 PolarHBondContact O-N 3.45Å; I459-L507 HydrophobicContact CG2-CD2 3.74Å; I459-F508 HydrophobicContact CB-CZ 4.01Å; I459-F508 HydrophobicContact CG2-CE2 3.91Å; I459-F508 HydrophobicContact CG2-CZ 3.74Å
460G97.7Very high96Very high0 Ų018.4 Ų18.40%09%0.087CC..EExtended strand (participates in β ladder)trans-180168.5176.700000114V391 K424 A462V391-G460 PolarHBondContact N-O 2.84Å; V391-G460 PolarHBondContact O-N 3.21Å; K424-G460 WeakPolarHBondContact O-CA 3.47Å; G460-A462 PolarHBondContact O-N 3.47Å
461Y96.9Very high95.9Very high22 Ų2221 Ų219%0.08610%0.1CC..EExtended strand (participates in β ladder)trans-62.3132.4178.8-64.2-82.6000111.2E320 Q387 V390 F418 K424 S463 Y464 V465E320-Y461 WeakPolarHBondContact OE1-CE1 3.39Å; E320-Y461 VanDerWaalsContact OE1-CZ 3.28Å; E320-Y461 PolarHBondContact OE1-OH 2.79Å; Q387-Y461 WeakPolarHBondContact O-CD1 3.02Å; V390-Y461 HydrophobicContact CG2-CD1 4.03Å; V390-Y461 HydrophobicContact CG2-CE1 3.98Å; F418-Y461 HydrophobicContact CE1-CD2 4.3Å; F418-Y461 AromaticContact CE1-CE2 3.81Å; F418-Y461 HydrophobicContact CE1-CE2 3.81Å; F418-Y461 AromaticContact CE1-CZ 4Å; F418-Y461 HydrophobicContact CZ-CD2 4.02Å; F418-Y461 AromaticContact CZ-CE2 3.76Å; F418-Y461 HydrophobicContact CZ-CE2 3.76Å; K424-Y461 HydrophobicContact CB-CD2 4.19Å; K424-Y461 HydrophobicContact CD-CD2 3.58Å; K424-Y461 HydrophobicContact CD-CE2 3.42Å; K424-Y461 VanDerWaalsContact CD-CE2 3.42Å; K424-Y461 HydrophobicContact CG-CD2 4.5Å; K424-Y461 PolarHBondContact O-N 3.25Å; Y461-S463 VanDerWaalsContact C-N 3.27Å; Y461-S463 PolarHBondContact O-N 3.03Å; Y461-S463 VanDerWaalsContact O-N 3.17Å; Y461-Y464 WeakPolarHBondContact O-CA 3.15Å; Y461-Y464 WeakPolarHBondContact O-CB 3.42Å; Y461-Y464 PolarHBondContact O-N 3.08Å; Y461-V465 PolarHBondContact O-N 3.13Å
462A95.8Very high95.4Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-53.4-43.1-172.800000112.8L389 V391 G460 Y464 V465 N466L389-A462 HydrophobicContact CB-CB 4.05Å; L389-A462 HydrophobicContact CD2-CB 3.87Å; L389-A462 HydrophobicContact CG-CB 4.05Å; L389-A462 WeakPolarHBondContact O-CB 3.48Å; L389-A462 PolarHBondContact O-N 3.35Å; V391-A462 HydrophobicContact CG2-CB 3.73Å; G460-A462 PolarHBondContact O-N 3.47Å; A462-Y464 VanDerWaalsContact C-N 3.34Å; A462-Y464 PolarHBondContact O-N 3.22Å; A462-V465 PolarHBondContact O-N 2.7Å; A462-N466 VanDerWaalsContact O-CB 3.31Å; A462-N466 WeakPolarHBondContact O-CB 3.45Å; A462-N466 PolarHBondContact O-N 3.31Å
463S94.1Very high94.9Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-69.9-23.8176.961.70000114.5K384 D386 Q387 Y461 K467K384-S463 WeakPolarHBondContact O-CB 3.37Å; D386-S463 WeakPolarHBondContact O-CB 3.31Å; D386-S463 PolarHBondContact O-OG 3.27Å; D386-S463 VanDerWaalsContact O-OG 3.08Å; Q387-S463 VanDerWaalsContact NE2-CB 3.3Å; Q387-S463 PolarHBondContact NE2-OG 2.81Å; Q387-S463 PolarHBondContact OE1-OG 2.99Å; Y461-S463 VanDerWaalsContact C-N 3.27Å; Y461-S463 PolarHBondContact O-N 3.03Å; Y461-S463 VanDerWaalsContact O-N 3.17Å; S463-K467 WeakPolarHBondContact O-CD 3.28Å; S463-K467 VanDerWaalsContact O-CE 3.27Å; S463-K467 WeakPolarHBondContact O-CE 3.46Å; S463-K467 WeakPolarHBondContact O-CG 3.24Å
464Y95.9Very high94.6Very high51 Ų5127.9 Ų27.920%0.215%0.145CC..Hα-helixtrans-79.9-46.3171.8-81.5-109.7000110.7K424 Y461 A462 N466 K467 L468 Y497K424-Y464 HydrophobicContact CB-CD1 3.57Å; K424-Y464 HydrophobicContact CB-CE1 3.75Å; K424-Y464 HydrophobicContact CB-CG 4.03Å; K424-Y464 HydrophobicContact CG-CD1 4.14Å; K424-Y464 HydrophobicContact CG-CE1 3.77Å; Y461-Y464 WeakPolarHBondContact O-CA 3.15Å; Y461-Y464 WeakPolarHBondContact O-CB 3.42Å; Y461-Y464 PolarHBondContact O-N 3.08Å; A462-Y464 VanDerWaalsContact C-N 3.34Å; A462-Y464 PolarHBondContact O-N 3.22Å; Y464-N466 VanDerWaalsContact C-N 3.35Å; Y464-N466 PolarHBondContact O-N 3.34Å; Y464-K467 PolarHBondContact O-N 3.2Å; Y464-L468 WeakPolarHBondContact O-CB 3.49Å; Y464-L468 PolarHBondContact O-N 3.27Å; Y464-Y497 HydrophobicContact CD1-CD1 4.13Å
465V96.3Very high94.4Very high3 Ų333.9 Ų33.92%0.01817%0.171CC..Hα-helixtrans-59.5-44.1176.8178.70000110.8L380 V425 F458 Y461 A462 K467 L468 L469L380-V465 HydrophobicContact CD1-CB 4.13Å; L380-V465 HydrophobicContact CD1-CG1 3.53Å; V425-V465 HydrophobicContact CG2-CG2 4.24Å; F458-V465 HydrophobicContact CE2-CG1 3.94Å; Y461-V465 PolarHBondContact O-N 3.13Å; A462-V465 PolarHBondContact O-N 2.7Å; V465-K467 PolarHBondContact O-N 3.44Å; V465-L468 PolarHBondContact O-N 2.92Å; V465-L469 HydrophobicContact CG1-CD1 3.91Å; V465-L469 HydrophobicContact CG1-CG 4.36Å; V465-L469 VanDerWaalsContact O-CG 3.24Å; V465-L469 WeakPolarHBondContact O-CG 3.42Å; V465-L469 PolarHBondContact O-N 3.25Å
466N95.3Very high94.3Very high19 Ų1935 Ų3510%0.10218%0.177CC..Hα-helixtrans-60.9-41.2176.8-179.4-103.9000113.2L380 A381 K384 A462 Y464 S470L380-N466 HydrophobicContact CB-CB 4.2Å; L380-N466 PolarHBondContact O-ND2 3.44Å; A381-N466 PolarHBondContact N-ND2 2.84Å; K384-N466 VanDerWaalsContact CB-OD1 3.31Å; K384-N466 WeakPolarHBondContact CB-OD1 3.19Å; A462-N466 VanDerWaalsContact O-CB 3.31Å; A462-N466 WeakPolarHBondContact O-CB 3.45Å; A462-N466 PolarHBondContact O-N 3.31Å; Y464-N466 VanDerWaalsContact C-N 3.35Å; Y464-N466 PolarHBondContact O-N 3.34Å; N466-S470 PolarHBondContact O-N 2.99Å; N466-S470 PolarHBondContact O-OG 3.49Å
467K94.8Very high94.2Very high86 Ų8639.6 Ų39.637%0.37420%0.201SC..Hα-helixtrans-66.5-43.8175.5-68.9164.5-165.9160.50111.2S463 Y464 V465 L469 S470 Y497S463-K467 WeakPolarHBondContact O-CD 3.28Å; S463-K467 VanDerWaalsContact O-CE 3.27Å; S463-K467 WeakPolarHBondContact O-CE 3.46Å; S463-K467 WeakPolarHBondContact O-CG 3.24Å; Y464-K467 PolarHBondContact O-N 3.2Å; V465-K467 PolarHBondContact O-N 3.44Å; K467-L469 PolarHBondContact O-N 3.4Å; K467-S470 WeakPolarHBondContact O-CA 3.29Å; K467-S470 WeakPolarHBondContact O-CB 3.43Å; K467-S470 PolarHBondContact O-N 3.23Å; K467-Y497 HydrophobicContact CB-CE1 3.51Å; K467-Y497 HydrophobicContact CD-CE1 4.27Å
468L95.6Very high94.1Very high3 Ų342.5 Ų42.52%0.01622%0.217CC..Hα-helixtrans-58.7-46.6177.5-173.5160.9000111.4V425 F427 Y464 V465 S470 E471 F483 Y484 V487 I499V425-L468 HydrophobicContact CB-CD1 4.47Å; V425-L468 HydrophobicContact CG1-CD1 4.26Å; V425-L468 HydrophobicContact CG2-CD1 4.24Å; F427-L468 HydrophobicContact CE2-CD1 4.11Å; F427-L468 HydrophobicContact CZ-CD1 4.25Å; Y464-L468 WeakPolarHBondContact O-CB 3.49Å; Y464-L468 PolarHBondContact O-N 3.27Å; V465-L468 PolarHBondContact O-N 2.92Å; L468-S470 PolarHBondContact O-N 2.83Å; L468-E471 PolarHBondContact O-N 3.21Å; L468-E471 VanDerWaalsContact O-N 3.17Å; L468-F483 HydrophobicContact CD2-CE1 4.33Å; L468-Y484 HydrophobicContact CD2-CD1 3.8Å; L468-Y484 HydrophobicContact CD2-CE1 3.9Å; L468-V487 HydrophobicContact CD2-CG1 4.37Å; L468-V487 HydrophobicContact CG-CG1 4.07Å; L468-I499 HydrophobicContact CD1-CD1 3.73Å; L468-I499 HydrophobicContact CD1-CG1 4.28Å
469L95.3Very high93.9Very high0 Ų043 Ų430%022%0.219CC..THydrogen-bonded Turntrans-61.4-13.9175.8-68.4166.4000113.4I373 L376 R377 L380 V465 K467 Y484I373-L469 HydrophobicContact CG1-CD2 4.48Å; I373-L469 HydrophobicContact CG2-CD2 4Å; L376-L469 HydrophobicContact CB-CD1 4.29Å; L376-L469 HydrophobicContact CD2-CD1 3.85Å; L376-L469 HydrophobicContact CD2-CD2 4.25Å; L376-L469 HydrophobicContact CG-CD1 3.77Å; R377-L469 HydrophobicContact CB-CB 4.23Å; R377-L469 HydrophobicContact CB-CD1 4.44Å; R377-L469 HydrophobicContact CG-CB 4.33Å; R377-L469 VanDerWaalsContact CZ-O 3.24Å; R377-L469 PolarHBondContact NE-O 3.3Å; R377-L469 PolarHBondContact NH2-O 2.86Å; L380-L469 HydrophobicContact CD1-CD1 3.92Å; V465-L469 HydrophobicContact CG1-CD1 3.91Å; V465-L469 HydrophobicContact CG1-CG 4.36Å; V465-L469 VanDerWaalsContact O-CG 3.24Å; V465-L469 WeakPolarHBondContact O-CG 3.42Å; V465-L469 PolarHBondContact O-N 3.25Å; K467-L469 PolarHBondContact O-N 3.4Å; L469-Y484 HydrophobicContact CD2-CE1 3.94Å; L469-Y484 WeakPolarHBondContact CD2-OH 3.25Å
470S93.3Very high93.6Very high73 Ų7343.4 Ų43.451%0.5122%0.221SC..THydrogen-bonded Turntrans-96.3-3.5-179-55.40000114N466 K467 L468 G472N466-S470 PolarHBondContact O-N 2.99Å; N466-S470 PolarHBondContact O-OG 3.49Å; K467-S470 WeakPolarHBondContact O-CA 3.29Å; K467-S470 WeakPolarHBondContact O-CB 3.43Å; K467-S470 PolarHBondContact O-N 3.23Å; L468-S470 PolarHBondContact O-N 2.83Å; S470-G472 PolarHBondContact O-N 3.03Å; S470-G472 VanDerWaalsContact O-N 3.14Å
471E93Very high93.5Very high70 Ų7043.7 Ų43.733%0.32722%0.223SC..SBendtrans-73.75.2179.9-70.3-70.1174.200114.6L468 V487 L493 K496 Y497L468-E471 PolarHBondContact O-N 3.21Å; L468-E471 VanDerWaalsContact O-N 3.17Å; E471-V487 HydrophobicContact CB-CG2 4.35Å; E471-L493 HydrophobicContact CB-CD1 4.32Å; E471-L493 HydrophobicContact CG-CD1 4.18Å; E471-L493 HydrophobicContact CG-CD2 4.29Å; E471-L493 WeakPolarHBondContact OE1-CD2 3.23Å; E471-K496 IonicContact OE1-NZ 2.85Å; E471-K496 PolarHBondContact OE1-NZ 2.88Å; E471-Y497 HydrophobicContact CG-CE2 3.78Å; E471-Y497 WeakPolarHBondContact OE1-CE2 3.32Å; E471-Y497 PolarHBondContact OE1-OH 3.17Å
472G86.4Confident93.4Very high29 Ų2943.8 Ų43.830%0.29923%0.225SC..SBendtrans-176.7157.8174.200000114R377 S470R377-G472 PolarHBondContact NH2-O 3.09Å; S470-G472 PolarHBondContact O-N 3.03Å; S470-G472 VanDerWaalsContact O-N 3.14Å
473Q87.1Confident93.5Very high197 Ų19744.7 Ų44.792%0.92123%0.228SC*.  trans-80.2145.5167.3-69.3-172-14.800110.4
474V91.3Very high93.6Very high20 Ų2044.9 Ų44.912%0.12123%0.229CC..  trans-142.2129-178156.60000106.3G370 I373 D478 F483G370-V474 VanDerWaalsContact CA-CG1 3.5Å; I373-V474 HydrophobicContact CB-CG1 4.18Å; I373-V474 HydrophobicContact CD1-CG1 4.19Å; I373-V474 HydrophobicContact CD1-CG2 4.29Å; I373-V474 HydrophobicContact CG2-CB 4.27Å; I373-V474 HydrophobicContact CG2-CG1 4.21Å; I373-V474 HydrophobicContact CG2-CG2 4.43Å; V474-D478 HydrophobicContact CG1-CB 4.24Å; V474-F483 HydrophobicContact CG2-CB 4.09Å; V474-F483 HydrophobicContact CG2-CD2 3.4Å; V474-F483 VanDerWaalsContact CG2-CD2 3.4Å; V474-F483 HydrophobicContact CG2-CE2 4.01Å; V474-F483 HydrophobicContact CG2-CG 3.84Å
475K94.1Very high93.7Very high134 Ų13442.6 Ų42.658%0.58322%0.221SC*.  trans-78.1163.7169-58.7172.2-175.9170.50109.9G370 D477 D478G370-K475 WeakPolarHBondContact CA-O 3.17Å; K475-D477 VanDerWaalsContact CB-OD1 3.24Å; K475-D477 WeakPolarHBondContact CB-OD1 3.31Å; K475-D477 PolarHBondContact O-N 3.13Å; K475-D478 HydrophobicContact CB-CB 4.46Å; K475-D478 WeakPolarHBondContact CB-OD2 2.93Å; K475-D478 WeakPolarHBondContact CG-OD2 3.46Å; K475-D478 PolarHBondContact N-OD2 3.16Å; K475-D478 PolarHBondContact O-N 3.24Å
476D92.7Very high93.7Very high27 Ų2750.1 Ų50.114%0.14425%0.249CC..THydrogen-bonded Turntrans-58.3-36.2178-85.611.1000111.9N359 G360 G370 Q371 R374N359-D476 HydrophobicContact CB-CB 3.79Å; N359-D476 PolarHBondContact ND2-OD2 3.45Å; N359-D476 VanDerWaalsContact ND2-OD2 3.13Å; G360-D476 WeakPolarHBondContact CA-O 3.37Å; G370-D476 CarbonylContact C-O 3.58Å; G370-D476 WeakPolarHBondContact CA-O 3.43Å; G370-D476 PolarHBondContact N-O 2.95Å; G370-D476 VanDerWaalsContact N-O 3.16Å; Q371-D476 HydrophobicContact CB-CB 3.97Å; Q371-D476 PolarHBondContact N-O 2.92Å; R374-D476 IonicContact CZ-OD1 3.99Å; R374-D476 IonicContact CZ-OD2 3.51Å; R374-D476 IonicContact NE-OD1 3.57Å; R374-D476 PolarHBondContact NE-OD1 3.39Å; R374-D476 IonicContact NE-OD2 3.98Å; R374-D476 IonicContact NH2-OD1 3.79Å; R374-D476 PolarHBondContact NH2-OD1 3.25Å; R374-D476 VanDerWaalsContact NH2-OD1 3.13Å; R374-D476 IonicContact NH2-OD2 3.69Å; R374-D476 PolarHBondContact NH2-OD2 3.09Å
477D90.7Very high93.8Very high95 Ų9549.7 Ų49.751%0.50825%0.247SC..THydrogen-bonded Turntrans-94-2.1-176.763-37.7000115.5K475K475-D477 VanDerWaalsContact CB-OD1 3.24Å; K475-D477 WeakPolarHBondContact CB-OD1 3.31Å; K475-D477 PolarHBondContact O-N 3.13Å
478D94Very high93.9Very high63 Ų6346 Ų4634%0.33723%0.231SC..SBendtrans-68.8160.3170.8-75.7-38.1000110.8G368 G369 G370 V474 K475G368-D478 CarbonylContact C-O 3.56Å; G368-D478 WeakPolarHBondContact CA-O 3.33Å; G369-D478 PolarHBondContact N-O 2.84Å; G370-D478 WeakPolarHBondContact CA-O 3.43Å; G370-D478 PolarHBondContact N-O 3.23Å; V474-D478 HydrophobicContact CG1-CB 4.24Å; K475-D478 HydrophobicContact CB-CB 4.46Å; K475-D478 WeakPolarHBondContact CB-OD2 2.93Å; K475-D478 WeakPolarHBondContact CG-OD2 3.46Å; K475-D478 PolarHBondContact N-OD2 3.16Å; K475-D478 PolarHBondContact O-N 3.24Å
479D92.5Very high94Very high10 Ų1047.2 Ų47.25%0.05324%0.237CC..BIsolated β-bridgetrans-79.2122.8-178.4-165.2-102.1000113.2I367 G368 W434 P435 Q481 L482 F483I367-D479 VanDerWaalsContact CA-OD2 3.3Å; I367-D479 WeakPolarHBondContact CA-OD2 3.42Å; I367-D479 HydrophobicContact CB-CB 3.94Å; I367-D479 WeakPolarHBondContact CB-OD2 3.34Å; I367-D479 HydrophobicContact CG2-CB 4.36Å; I367-D479 WeakPolarHBondContact CG2-OD2 3.45Å; G368-D479 PolarHBondContact N-OD2 2.86Å; G368-D479 VanDerWaalsContact N-OD2 3.12Å; G368-D479 VanDerWaalsContact O-CA 3.3Å; G368-D479 WeakPolarHBondContact O-CA 3.39Å; W434-D479 VanDerWaalsContact CH2-OD2 3.26Å; W434-D479 WeakPolarHBondContact CH2-OD2 3.46Å; W434-D479 WeakPolarHBondContact CZ3-OD2 3.32Å; P435-D479 WeakPolarHBondContact CD-OD1 3.38Å; P435-D479 HydrophobicContact CG-CB 4.5Å; P435-D479 WeakPolarHBondContact CG-OD1 3.48Å; D479-Q481 PolarHBondContact OD1-N 2.82Å; D479-L482 HydrophobicContact CB-CB 3.77Å; D479-L482 VanDerWaalsContact OD1-CB 3.31Å; D479-L482 WeakPolarHBondContact OD1-CB 3.43Å; D479-L482 PolarHBondContact OD1-N 3.14Å; D479-F483 PolarHBondContact O-N 2.85Å
480D93.7Very high94.1Very high9 Ų950.6 Ų50.65%0.04826%0.255CS..Hα-helixtrans-71.4-42.1-178.875.1-71.9000112.5G368 K372 I373 S455 L482 F483 Y484G368-D480 PolarHBondContact O-N 2.8Å; K372-D480 VanDerWaalsContact CE-CG 3.47Å; K372-D480 VanDerWaalsContact CE-OD1 3.32Å; K372-D480 WeakPolarHBondContact CE-OD1 3.44Å; K372-D480 WeakPolarHBondContact CE-OD2 3.49Å; K372-D480 VanDerWaalsContact NZ-CG 3.3Å; K372-D480 IonicContact NZ-OD1 3.18Å; K372-D480 PolarHBondContact NZ-OD1 3.18Å; K372-D480 VanDerWaalsContact NZ-OD1 3.13Å; K372-D480 IonicContact NZ-OD2 3.41Å; K372-D480 PolarHBondContact NZ-OD2 3.09Å; I373-D480 HydrophobicContact CD1-CB 3.6Å; I373-D480 HydrophobicContact CG1-CB 4.04Å; S455-D480 WeakPolarHBondContact CB-OD2 3.23Å; S455-D480 PolarHBondContact OG-OD2 3.31Å; D480-L482 VanDerWaalsContact C-N 3.32Å; D480-L482 PolarHBondContact O-N 2.69Å; D480-F483 WeakPolarHBondContact O-CB 3.1Å; D480-F483 PolarHBondContact O-N 3.36Å; D480-Y484 HydrophobicContact CB-CE2 4.36Å; D480-Y484 WeakPolarHBondContact O-CD2 3.44Å; D480-Y484 PolarHBondContact O-N 2.75Å; D480-Y484 VanDerWaalsContact O-N 3.15Å
481Q94.9Very high94.2Very high6 Ų651.9 Ų51.93%0.02826%0.256CS..Hα-helixtrans-63.2-37.7178.6-171.3154.8-57.100112.2E430 W434 L453 N454 S455 D479 T485E430-Q481 PolarHBondContact OE1-NE2 2.92Å; W434-Q481 HydrophobicContact CE3-CB 4.07Å; W434-Q481 HydrophobicContact CE3-CG 4.28Å; W434-Q481 HydrophobicContact CZ3-CB 3.97Å; W434-Q481 PolarHBondContact O-NE2 2.85Å; W434-Q481 VanDerWaalsContact O-NE2 3.09Å; L453-Q481 HydrophobicContact CD2-CG 4.35Å; L453-Q481 PolarHBondContact O-NE2 3.03Å; N454-Q481 PolarHBondContact ND2-OE1 3.41Å; N454-Q481 VanDerWaalsContact ND2-OE1 3.1Å; S455-Q481 WeakPolarHBondContact OG-CA 3.49Å; S455-Q481 WeakPolarHBondContact OG-CB 3.42Å; S455-Q481 PolarHBondContact OG-N 2.78Å; D479-Q481 PolarHBondContact OD1-N 2.82Å; Q481-T485 WeakPolarHBondContact O-CB 3.34Å; Q481-T485 PolarHBondContact O-N 3.38Å; Q481-T485 PolarHBondContact O-OG1 3.49Å
482L95.5Very high94.3Very high24 Ų2456.5 Ų56.513%0.12628%0.275CS..Hα-helixtrans-67.8-35.9175.8-169.958.3000112.6P435 D436 L439 D479 D480 R486P435-L482 HydrophobicContact CG-CB 3.92Å; P435-L482 HydrophobicContact CG-CD1 4.27Å; P435-L482 HydrophobicContact CG-CD2 4.25Å; P435-L482 HydrophobicContact CG-CG 4.37Å; D436-L482 HydrophobicContact CB-CD1 4.19Å; L439-L482 HydrophobicContact CD1-CD1 3.8Å; D479-L482 HydrophobicContact CB-CB 3.77Å; D479-L482 VanDerWaalsContact OD1-CB 3.31Å; D479-L482 WeakPolarHBondContact OD1-CB 3.43Å; D479-L482 PolarHBondContact OD1-N 3.14Å; D480-L482 VanDerWaalsContact C-N 3.32Å; D480-L482 PolarHBondContact O-N 2.69Å; L482-R486 WeakPolarHBondContact O-CB 3.31Å; L482-R486 VanDerWaalsContact O-CG 3.24Å; L482-R486 WeakPolarHBondContact O-CG 3.32Å; L482-R486 PolarHBondContact O-N 2.69Å
483F96.6Very high94.8Very high19 Ų1956.2 Ų56.28%0.08327%0.267CS..Hα-helixtrans-60.1-55.4172.7169.2-94.5000110.6I373 L468 V474 D479 D480 T485 R486 V487I373-F483 HydrophobicContact CD1-CB 3.71Å; I373-F483 HydrophobicContact CD1-CD1 3.47Å; I373-F483 VanDerWaalsContact CD1-CD1 3.47Å; I373-F483 HydrophobicContact CD1-CE1 4.28Å; I373-F483 HydrophobicContact CD1-CG 3.71Å; I373-F483 HydrophobicContact CG1-CD1 4.32Å; L468-F483 HydrophobicContact CD2-CE1 4.33Å; V474-F483 HydrophobicContact CG2-CB 4.09Å; V474-F483 HydrophobicContact CG2-CD2 3.4Å; V474-F483 VanDerWaalsContact CG2-CD2 3.4Å; V474-F483 HydrophobicContact CG2-CE2 4.01Å; V474-F483 HydrophobicContact CG2-CG 3.84Å; D479-F483 PolarHBondContact O-N 2.85Å; D480-F483 WeakPolarHBondContact O-CB 3.1Å; D480-F483 PolarHBondContact O-N 3.36Å; F483-T485 VanDerWaalsContact C-N 3.33Å; F483-T485 PolarHBondContact O-N 3Å; F483-R486 PolarHBondContact O-N 2.93Å; F483-V487 HydrophobicContact CE1-CG2 4.43Å; F483-V487 HydrophobicContact CE2-CG2 4.45Å; F483-V487 HydrophobicContact CZ-CG2 4.24Å; F483-V487 PolarHBondContact O-N 3.02Å; F483-V487 VanDerWaalsContact O-N 3.13Å
484Y97.5Very high95.3Very high4 Ų449.4 Ų49.42%0.01623%0.232CC..Hα-helixtrans-63.4-38.9179.8-64.4-66.3000112.2I373 F427 S455 F458 L468 L469 D480 R486 V487 F488I373-Y484 HydrophobicContact CD1-CE2 4.03Å; I373-Y484 HydrophobicContact CG1-CE2 3.9Å; F427-Y484 AromaticContact CE1-CD1 3.58Å; F427-Y484 HydrophobicContact CE1-CD1 3.58Å; F427-Y484 HydrophobicContact CE1-CD2 4.32Å; F427-Y484 HydrophobicContact CE1-CE1 4.11Å; F427-Y484 AromaticContact CE1-CG 3.69Å; F427-Y484 HydrophobicContact CE1-CG 3.69Å; F427-Y484 AromaticContact CZ-CD1 3.52Å; F427-Y484 HydrophobicContact CZ-CD1 3.52Å; F427-Y484 HydrophobicContact CZ-CE1 4.09Å; F427-Y484 HydrophobicContact CZ-CG 4.05Å; S455-Y484 VanDerWaalsContact CB-CD2 3.42Å; F458-Y484 HydrophobicContact CE1-CE1 4.34Å; F458-Y484 HydrophobicContact CE1-CE2 4.17Å; F458-Y484 AromaticContact CE1-CZ 3.82Å; F458-Y484 HydrophobicContact CZ-CE1 4.31Å; F458-Y484 AromaticContact CZ-CZ 3.97Å; F458-Y484 WeakPolarHBondContact CZ-OH 3.37Å; L468-Y484 HydrophobicContact CD2-CD1 3.8Å; L468-Y484 HydrophobicContact CD2-CE1 3.9Å; L469-Y484 HydrophobicContact CD2-CE1 3.94Å; L469-Y484 WeakPolarHBondContact CD2-OH 3.25Å; D480-Y484 HydrophobicContact CB-CE2 4.36Å; D480-Y484 WeakPolarHBondContact O-CD2 3.44Å; D480-Y484 PolarHBondContact O-N 2.75Å; D480-Y484 VanDerWaalsContact O-N 3.15Å; Y484-R486 PolarHBondContact O-N 3.19Å; Y484-V487 PolarHBondContact O-N 3.47Å; Y484-F488 WeakPolarHBondContact O-CB 3.48Å; Y484-F488 PolarHBondContact O-N 3.22Å
485T97.2Very high95.5Very high3 Ų356 Ų562%0.01826%0.262CS..Hα-helixtrans-57.8-46.6173.8-69.80000111.7L439 Y443 Q481 F483 V487 F488 L489L439-T485 HydrophobicContact CD1-CG2 3.78Å; Y443-T485 HydrophobicContact CE2-CG2 4.02Å; Y443-T485 WeakPolarHBondContact OH-CG2 3.3Å; Y443-T485 PolarHBondContact OH-OG1 3.27Å; Q481-T485 WeakPolarHBondContact O-CB 3.34Å; Q481-T485 PolarHBondContact O-N 3.38Å; Q481-T485 PolarHBondContact O-OG1 3.49Å; F483-T485 VanDerWaalsContact C-N 3.33Å; F483-T485 PolarHBondContact O-N 3Å; T485-V487 VanDerWaalsContact C-N 3.33Å; T485-V487 PolarHBondContact O-N 3.35Å; T485-F488 PolarHBondContact O-N 3.1Å; T485-L489 HydrophobicContact CG2-CD1 3.62Å; T485-L489 HydrophobicContact CG2-CG 4.22Å; T485-L489 WeakPolarHBondContact O-CB 3.26Å; T485-L489 VanDerWaalsContact O-CG 3.23Å; T485-L489 WeakPolarHBondContact O-CG 3.5Å; T485-L489 PolarHBondContact O-N 2.84Å
486R96.5Very high95.6Very high162 Ų16255.1 Ų55.161%0.61126%0.258SS*.Hα-helixtrans-64.1-37.3178.5-75.8169.2175.9170.60.2112.5L482 F483 Y484 N490L482-R486 WeakPolarHBondContact O-CB 3.31Å; L482-R486 VanDerWaalsContact O-CG 3.24Å; L482-R486 WeakPolarHBondContact O-CG 3.32Å; L482-R486 PolarHBondContact O-N 2.69Å; F483-R486 PolarHBondContact O-N 2.93Å; Y484-R486 PolarHBondContact O-N 3.19Å; R486-N490 PolarHBondContact O-N 3.12Å
487V96.7Very high95.8Very high9 Ų954.3 Ų54.36%0.05525%0.253CS..Hα-helixtrans-67.3-45.1174.9177.10000111L468 E471 F483 Y484 T485 L489 N490 L493 I499L468-V487 HydrophobicContact CD2-CG1 4.37Å; L468-V487 HydrophobicContact CG-CG1 4.07Å; E471-V487 HydrophobicContact CB-CG2 4.35Å; F483-V487 HydrophobicContact CE1-CG2 4.43Å; F483-V487 HydrophobicContact CE2-CG2 4.45Å; F483-V487 HydrophobicContact CZ-CG2 4.24Å; F483-V487 PolarHBondContact O-N 3.02Å; F483-V487 VanDerWaalsContact O-N 3.13Å; Y484-V487 PolarHBondContact O-N 3.47Å; T485-V487 VanDerWaalsContact C-N 3.33Å; T485-V487 PolarHBondContact O-N 3.35Å; V487-L489 PolarHBondContact O-N 2.64Å; V487-N490 PolarHBondContact O-N 3.35Å; V487-L493 HydrophobicContact CG1-CB 4.14Å; V487-L493 HydrophobicContact CG1-CD1 4.16Å; V487-I499 HydrophobicContact CG1-CD1 4Å
488F97.6Very high96.1Very high9 Ų954 Ų544%0.03925%0.248CC..Hα-helixtrans-64.9-36.3177.8178-97.8000113.3Y443 P444 L453 Y484 T485 N490 R494 I499 L501Y443-F488 HydrophobicContact CD1-CD1 4.1Å; Y443-F488 AromaticContact CD1-CE1 3.68Å; Y443-F488 HydrophobicContact CD1-CE1 3.68Å; Y443-F488 AromaticContact CE1-CD1 3.68Å; Y443-F488 HydrophobicContact CE1-CD1 3.68Å; Y443-F488 AromaticContact CE1-CE1 3.67Å; Y443-F488 HydrophobicContact CE1-CE1 3.67Å; P444-F488 HydrophobicContact CG-CE1 4.4Å; P444-F488 HydrophobicContact CG-CZ 4.38Å; L453-F488 HydrophobicContact CD1-CB 3.8Å; L453-F488 HydrophobicContact CD1-CG 4.15Å; Y484-F488 WeakPolarHBondContact O-CB 3.48Å; Y484-F488 PolarHBondContact O-N 3.22Å; T485-F488 PolarHBondContact O-N 3.1Å; F488-N490 VanDerWaalsContact C-N 3.29Å; F488-N490 PolarHBondContact O-N 2.76Å; F488-R494 HydrophobicContact CD2-CG 4.11Å; F488-R494 HydrophobicContact CE2-CG 4.05Å; F488-R494 WeakPolarHBondContact O-CB 3.41Å; F488-R494 WeakPolarHBondContact O-CD 3.39Å; F488-R494 PolarHBondContact O-NH1 3.45Å; F488-I499 HydrophobicContact CD2-CB 4.17Å; F488-I499 HydrophobicContact CD2-CG2 3.8Å; F488-I499 HydrophobicContact CE2-CG2 4.43Å; F488-L501 HydrophobicContact CD2-CD2 4Å; F488-L501 HydrophobicContact CD2-CG 4.46Å; F488-L501 HydrophobicContact CE1-CD1 3.84Å; F488-L501 HydrophobicContact CE1-CD2 4.38Å; F488-L501 HydrophobicContact CE1-CG 4.16Å; F488-L501 HydrophobicContact CE2-CD1 4.34Å; F488-L501 HydrophobicContact CE2-CD2 3.76Å; F488-L501 HydrophobicContact CE2-CG 3.73Å; F488-L501 HydrophobicContact CG-CD2 4.41Å; F488-L501 HydrophobicContact CZ-CD1 3.7Å; F488-L501 HydrophobicContact CZ-CD2 3.98Å; F488-L501 HydrophobicContact CZ-CG 3.57Å
489L97.1Very high96.3Very high28 Ų2851.3 Ų51.315%0.14723%0.234CC..Hα-helixtrans-76.3-13.9178.6-70.1177.4000113.8L439 S442 Y443 T485 V487 D491L439-L489 HydrophobicContact CB-CD1 3.8Å; L439-L489 HydrophobicContact CD1-CD1 4.11Å; L439-L489 HydrophobicContact CD2-CD1 4.31Å; L439-L489 HydrophobicContact CG-CD1 4.29Å; S442-L489 WeakPolarHBondContact O-CD2 3.42Å; Y443-L489 HydrophobicContact CD1-CD2 4.2Å; Y443-L489 HydrophobicContact CD2-CD1 4.29Å; Y443-L489 HydrophobicContact CD2-CD2 3.72Å; Y443-L489 HydrophobicContact CD2-CG 4.44Å; Y443-L489 HydrophobicContact CE1-CD2 4.43Å; Y443-L489 HydrophobicContact CE2-CD1 4.01Å; Y443-L489 HydrophobicContact CE2-CD2 4Å; Y443-L489 HydrophobicContact CE2-CG 4.26Å; Y443-L489 HydrophobicContact CG-CD2 3.83Å; T485-L489 HydrophobicContact CG2-CD1 3.62Å; T485-L489 HydrophobicContact CG2-CG 4.22Å; T485-L489 WeakPolarHBondContact O-CB 3.26Å; T485-L489 VanDerWaalsContact O-CG 3.23Å; T485-L489 WeakPolarHBondContact O-CG 3.5Å; T485-L489 PolarHBondContact O-N 2.84Å; V487-L489 PolarHBondContact O-N 2.64Å; L489-D491 PolarHBondContact O-N 2.8Å
490N97Very high96.5Very high72 Ų7255.3 Ų55.339%0.38525%0.251SS..SBendtrans-82.1103170.3-177-25.8000109.3R486 V487 F488 K492 L493 R494R486-N490 PolarHBondContact O-N 3.12Å; V487-N490 PolarHBondContact O-N 3.35Å; F488-N490 VanDerWaalsContact C-N 3.29Å; F488-N490 PolarHBondContact O-N 2.76Å; N490-K492 PolarHBondContact O-N 3.26Å; N490-K492 VanDerWaalsContact O-N 3.1Å; N490-K492 PolarHBondContact OD1-N 3.46Å; N490-L493 HydrophobicContact CB-CB 4.13Å; N490-L493 HydrophobicContact CB-CD1 4.06Å; N490-L493 HydrophobicContact CB-CG 4.08Å; N490-L493 PolarHBondContact O-N 3.44Å; N490-R494 PolarHBondContact O-N 2.91Å
491D95.3Very high96.7Very high99 Ų9956 Ų5653%0.52926%0.255SS..Hα-helixtrans-49.1-40.9-176.8-63-20000113.5L489 L493 R494 E495L489-D491 PolarHBondContact O-N 2.8Å; D491-L493 PolarHBondContact O-N 2.81Å; D491-R494 PolarHBondContact O-N 3.21Å; D491-R494 IonicContact OD1-CZ 3.84Å; D491-R494 IonicContact OD1-NH1 3.33Å; D491-R494 PolarHBondContact OD1-NH1 3.19Å; D491-R494 IonicContact OD1-NH2 2.77Å; D491-R494 PolarHBondContact OD1-NH2 3.46Å; D491-E495 WeakPolarHBondContact O-CB 3.5Å; D491-E495 PolarHBondContact O-N 3.11Å
492K96.7Very high96.9Very high168 Ų16856.2 Ų56.273%0.7326%0.256SS*.Hα-helixtrans-66.8-37.3178.8-65.6-175.9178.1-178.40112.7N490 K496N490-K492 PolarHBondContact O-N 3.26Å; N490-K492 VanDerWaalsContact O-N 3.1Å; N490-K492 PolarHBondContact OD1-N 3.46Å; K492-K496 WeakPolarHBondContact O-CB 3.36Å; K492-K496 PolarHBondContact O-N 2.93Å
493L96.9Very high96.9Very high22 Ų2256.2 Ų56.212%0.11526%0.258CS..Hα-helixtrans-77-38177.3-61.8-177.4000111.2E471 V487 N490 D491 E495 K496 Y497E471-L493 HydrophobicContact CB-CD1 4.32Å; E471-L493 HydrophobicContact CG-CD1 4.18Å; E471-L493 HydrophobicContact CG-CD2 4.29Å; E471-L493 WeakPolarHBondContact OE1-CD2 3.23Å; V487-L493 HydrophobicContact CG1-CB 4.14Å; V487-L493 HydrophobicContact CG1-CD1 4.16Å; N490-L493 HydrophobicContact CB-CB 4.13Å; N490-L493 HydrophobicContact CB-CD1 4.06Å; N490-L493 HydrophobicContact CB-CG 4.08Å; N490-L493 PolarHBondContact O-N 3.44Å; D491-L493 PolarHBondContact O-N 2.81Å; L493-E495 VanDerWaalsContact C-N 3.32Å; L493-E495 PolarHBondContact O-N 2.69Å; L493-K496 HydrophobicContact CD2-CD 4.08Å; L493-K496 PolarHBondContact O-N 2.95Å; L493-Y497 HydrophobicContact CB-CD2 4.44Å; L493-Y497 HydrophobicContact CD2-CE2 4.25Å; L493-Y497 WeakPolarHBondContact O-CD2 3.24Å; L493-Y497 PolarHBondContact O-N 3Å
494R96.9Very high96.9Very high54 Ų5457 Ų5720%0.20426%0.264CS..Hα-helixtrans-59.4-42.4174.1-173.1170.967.1-107.50.7111.8F488 N490 D491 E498 I499F488-R494 HydrophobicContact CD2-CG 4.11Å; F488-R494 HydrophobicContact CE2-CG 4.05Å; F488-R494 WeakPolarHBondContact O-CB 3.41Å; F488-R494 WeakPolarHBondContact O-CD 3.39Å; F488-R494 PolarHBondContact O-NH1 3.45Å; N490-R494 PolarHBondContact O-N 2.91Å; D491-R494 PolarHBondContact O-N 3.21Å; D491-R494 IonicContact OD1-CZ 3.84Å; D491-R494 IonicContact OD1-NH1 3.33Å; D491-R494 PolarHBondContact OD1-NH1 3.19Å; D491-R494 IonicContact OD1-NH2 2.77Å; D491-R494 PolarHBondContact OD1-NH2 3.46Å; R494-E498 WeakPolarHBondContact O-CA 3.22Å; R494-E498 PolarHBondContact O-N 3.41Å; R494-E498 VanDerWaalsContact O-N 3.13Å; R494-I499 HydrophobicContact CG-CB 4.22Å; R494-I499 WeakPolarHBondContact CG-O 3.45Å; R494-I499 PolarHBondContact O-N 2.98Å
495E96.2Very high96.8Very high158 Ų15857 Ų5774%0.73827%0.266SS*.Hα-helixtrans-71.3-50.2174.8-171.1173.3-155.800111.8D491 L493 Y497 E498D491-E495 WeakPolarHBondContact O-CB 3.5Å; D491-E495 PolarHBondContact O-N 3.11Å; L493-E495 VanDerWaalsContact C-N 3.32Å; L493-E495 PolarHBondContact O-N 2.69Å; E495-Y497 PolarHBondContact O-N 2.86Å; E495-Y497 VanDerWaalsContact O-N 3.16Å; E495-E498 PolarHBondContact O-N 2.95Å
496K96.2Very high96.8Very high116 Ų11660.5 Ų60.550%0.50428%0.282SS..Hα-helixtrans-53.7-35.4178.9175.4-172177.2-167.60114.2E471 K492 L493E471-K496 IonicContact OE1-NZ 2.85Å; E471-K496 PolarHBondContact OE1-NZ 2.88Å; K492-K496 WeakPolarHBondContact O-CB 3.36Å; K492-K496 PolarHBondContact O-N 2.93Å; L493-K496 HydrophobicContact CD2-CD 4.08Å; L493-K496 PolarHBondContact O-N 2.95Å
497Y96.1Very high96.9Very high11 Ų1152.9 Ų52.94%0.04325%0.253CS..THydrogen-bonded Turntrans-107.99-179.2-63.5-59.7000113.5Y464 K467 E471 L493 E495 I499Y464-Y497 HydrophobicContact CD1-CD1 4.13Å; K467-Y497 HydrophobicContact CB-CE1 3.51Å; K467-Y497 HydrophobicContact CD-CE1 4.27Å; E471-Y497 HydrophobicContact CG-CE2 3.78Å; E471-Y497 WeakPolarHBondContact OE1-CE2 3.32Å; E471-Y497 PolarHBondContact OE1-OH 3.17Å; L493-Y497 HydrophobicContact CB-CD2 4.44Å; L493-Y497 HydrophobicContact CD2-CE2 4.25Å; L493-Y497 WeakPolarHBondContact O-CD2 3.24Å; L493-Y497 PolarHBondContact O-N 3Å; E495-Y497 PolarHBondContact O-N 2.86Å; E495-Y497 VanDerWaalsContact O-N 3.16Å; Y497-I499 PolarHBondContact O-N 2.92Å
498E96.6Very high96.9Very high87 Ų8752.5 Ų52.541%0.40725%0.251SS..THydrogen-bonded Turntrans44.648.1-179.1-57.3179.8-110.600112.6K424 R494 E495K424-E498 HydrophobicContact CB-CB 3.98Å; K424-E498 HydrophobicContact CG-CB 3.8Å; K424-E498 HydrophobicContact CG-CG 4.08Å; K424-E498 WeakPolarHBondContact CG-OE1 3.47Å; K424-E498 PolarHBondContact N-O 3.5Å; R494-E498 WeakPolarHBondContact O-CA 3.22Å; R494-E498 PolarHBondContact O-N 3.41Å; R494-E498 VanDerWaalsContact O-N 3.13Å; E495-E498 PolarHBondContact O-N 2.95Å
499I98Very high96.9Very high8 Ų852.3 Ų52.34%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-79.9125.4-172.3-42.9175.6000110V425 F427 L468 V487 F488 R494 Y497V425-I499 WeakPolarHBondContact O-CA 3.34Å; F427-I499 HydrophobicContact CD2-CG2 3.5Å; F427-I499 HydrophobicContact CE2-CG2 3.61Å; L468-I499 HydrophobicContact CD1-CD1 3.73Å; L468-I499 HydrophobicContact CD1-CG1 4.28Å; V487-I499 HydrophobicContact CG1-CD1 4Å; F488-I499 HydrophobicContact CD2-CB 4.17Å; F488-I499 HydrophobicContact CD2-CG2 3.8Å; F488-I499 HydrophobicContact CE2-CG2 4.43Å; R494-I499 HydrophobicContact CG-CB 4.22Å; R494-I499 WeakPolarHBondContact CG-O 3.45Å; R494-I499 PolarHBondContact O-N 2.98Å; Y497-I499 PolarHBondContact O-N 2.92Å
500K97.7Very high96.9Very high93 Ų9351.2 Ų51.240%0.40424%0.244SC..EExtended strand (participates in β ladder)trans-121.8163175.5-67.9178.7176.5163.10111.4S421 G422 A423 V425 L426 F427S421-K500 WeakPolarHBondContact O-CD 3.39Å; S421-K500 PolarHBondContact O-NZ 3.15Å; G422-K500 VanDerWaalsContact C-NZ 3.28Å; G422-K500 PolarHBondContact O-NZ 3.15Å; A423-K500 HydrophobicContact CB-CB 3.96Å; A423-K500 HydrophobicContact CB-CD 3.89Å; A423-K500 HydrophobicContact CB-CG 4.11Å; V425-K500 PolarHBondContact O-N 3.33Å; L426-K500 WeakPolarHBondContact CA-O 3.17Å; L426-K500 HydrophobicContact CD1-CB 3.85Å; F427-K500 PolarHBondContact N-O 2.91Å
501L98.2Very high96.8Very high23 Ų2347.9 Ų47.912%0.1223%0.226CC..EExtended strand (participates in β ladder)trans-112.4133.4170.6-51.9-176.6000109.4F427 A429 Y443 R451 L453 F488 S503F427-L501 HydrophobicContact CB-CD2 3.89Å; F427-L501 CarbonylContact O-C 3.27Å; F427-L501 WeakPolarHBondContact O-CA 3.38Å; A429-L501 HydrophobicContact CB-CB 4.19Å; Y443-L501 HydrophobicContact CD1-CD1 4.37Å; Y443-L501 HydrophobicContact CE1-CD1 4.12Å; R451-L501 WeakPolarHBondContact O-CD1 3.47Å; L453-L501 HydrophobicContact CB-CD2 3.86Å; L453-L501 HydrophobicContact CD1-CD2 3.99Å; L453-L501 HydrophobicContact CG-CD2 4.07Å; F488-L501 HydrophobicContact CD2-CD2 4Å; F488-L501 HydrophobicContact CD2-CG 4.46Å; F488-L501 HydrophobicContact CE1-CD1 3.84Å; F488-L501 HydrophobicContact CE1-CD2 4.38Å; F488-L501 HydrophobicContact CE1-CG 4.16Å; F488-L501 HydrophobicContact CE2-CD1 4.34Å; F488-L501 HydrophobicContact CE2-CD2 3.76Å; F488-L501 HydrophobicContact CE2-CG 3.73Å; F488-L501 HydrophobicContact CG-CD2 4.41Å; F488-L501 HydrophobicContact CZ-CD1 3.7Å; F488-L501 HydrophobicContact CZ-CD2 3.98Å; F488-L501 HydrophobicContact CZ-CG 3.57Å; L501-S503 PolarHBondContact O-N 3.09Å; L501-S503 PolarHBondContact O-OG 3.31Å; L501-S503 VanDerWaalsContact O-OG 3.07Å
502D98.1Very high96.7Very high11 Ų1144.9 Ų44.96%0.05921%0.21CC..EExtended strand (participates in β ladder)trans-71.874.3172.3-176.311.8000110.8L426 F427 A429 T504 A505 E506 L507 F508L426-D502 HydrophobicContact CD1-CB 4.16Å; L426-D502 HydrophobicContact CD2-CB 4.25Å; L426-D502 HydrophobicContact CG-CB 4.21Å; F427-D502 PolarHBondContact O-N 3.12Å; A429-D502 VanDerWaalsContact CB-O 3.24Å; A429-D502 WeakPolarHBondContact CB-O 3.45Å; D502-T504 VanDerWaalsContact C-N 3.3Å; D502-T504 PolarHBondContact O-N 2.92Å; D502-A505 PolarHBondContact O-N 3.05Å; D502-A505 PolarHBondContact OD1-N 3.21Å; D502-E506 PolarHBondContact OD1-N 3.37Å; D502-E506 PolarHBondContact OD2-N 2.71Å; D502-L507 WeakPolarHBondContact OD2-CA 3.49Å; D502-L507 PolarHBondContact OD2-N 3.04Å; D502-F508 HydrophobicContact CB-CD2 3.9Å; D502-F508 PolarHBondContact OD2-N 3.43Å
503S96.7Very high96.5Very high25 Ų2538.5 Ų38.518%0.17519%0.193CC..THydrogen-bonded Turntrans-72-25.2-168-53.80000112.3G449 K450 L501G449-S503 CarbonylContact C-O 3.56Å; G449-S503 WeakPolarHBondContact CA-O 3.42Å; K450-S503 PolarHBondContact N-O 3.05Å; K450-S503 WeakPolarHBondContact O-CB 3.31Å; L501-S503 PolarHBondContact O-N 3.09Å; L501-S503 PolarHBondContact O-OG 3.31Å; L501-S503 VanDerWaalsContact O-OG 3.07Å
504T95.8Very high96.4Very high34 Ų3437.7 Ų37.721%0.20919%0.189CC..THydrogen-bonded Turntrans-103.58.8179.148.70000113.7D502 E506 Y541 S543D502-T504 VanDerWaalsContact C-N 3.3Å; D502-T504 PolarHBondContact O-N 2.92Å; T504-E506 WeakPolarHBondContact CB-OE1 3.46Å; T504-E506 WeakPolarHBondContact OG1-CG 3.4Å; T504-E506 PolarHBondContact OG1-OE1 2.72Å; T504-Y541 HydrophobicContact CG2-CD1 4.26Å; T504-Y541 HydrophobicContact CG2-CG 4.25Å; T504-Y541 VanDerWaalsContact O-CB 3.23Å; T504-Y541 WeakPolarHBondContact O-CB 3.21Å; T504-Y541 WeakPolarHBondContact O-CD2 3.38Å; T504-S543 PolarHBondContact O-OG 2.9Å
505A96.3Very high96.2Very high6 Ų637.2 Ų37.25%0.0519%0.192CC..  trans55.450.4-179.600000112.5D502 L507 F508 Y541 S543D502-A505 PolarHBondContact O-N 3.05Å; D502-A505 PolarHBondContact OD1-N 3.21Å; A505-L507 VanDerWaalsContact C-N 3.35Å; A505-F508 WeakPolarHBondContact CA-O 3.43Å; A505-F508 WeakPolarHBondContact CB-O 3.27Å; A505-Y541 HydrophobicContact CB-CD2 4.46Å; A505-S543 WeakPolarHBondContact O-CB 3.46Å; A505-S543 PolarHBondContact O-OG 3.44Å
506E96.6Very high95.8Very high76 Ų7636.2 Ų36.236%0.35519%0.192SC..SBendtrans-75.5-26.3174.5-57.2-58.3155.100112.2R417 D502 T504 S543R417-E506 WeakPolarHBondContact CD-O 3.36Å; D502-E506 PolarHBondContact OD1-N 3.37Å; D502-E506 PolarHBondContact OD2-N 2.71Å; T504-E506 WeakPolarHBondContact CB-OE1 3.46Å; T504-E506 WeakPolarHBondContact OG1-CG 3.4Å; T504-E506 PolarHBondContact OG1-OE1 2.72Å; E506-S543 VanDerWaalsContact OE2-CB 3.27Å; E506-S543 WeakPolarHBondContact OE2-CB 3.41Å
507L97.5Very high95.6Very high1 Ų132.4 Ų32.41%0.00518%0.177CC..SBendtrans-126.1-43.3179.3178.457000111.6I414 R417 L426 I459 D502 A505 L546 V547I414-L507 HydrophobicContact CG1-CD1 4.38Å; I414-L507 HydrophobicContact CG2-CD1 4.3Å; R417-L507 HydrophobicContact CB-CB 4.18Å; R417-L507 HydrophobicContact CB-CD1 4.19Å; L426-L507 HydrophobicContact CD2-CD2 4.41Å; I459-L507 HydrophobicContact CG2-CD2 3.74Å; D502-L507 WeakPolarHBondContact OD2-CA 3.49Å; D502-L507 PolarHBondContact OD2-N 3.04Å; A505-L507 VanDerWaalsContact C-N 3.35Å; L507-L546 HydrophobicContact CD1-CB 4.06Å; L507-L546 HydrophobicContact CD1-CD1 3.96Å; L507-L546 HydrophobicContact CD1-CG 4.27Å; L507-L546 PolarHBondContact O-N 3.04Å; L507-V547 HydrophobicContact CD1-CG2 4.37Å; L507-V547 PolarHBondContact O-N 3.4Å
508F98.2Very high95.5Very high2 Ų233 Ų331%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-112.9128.6-172-58.2-71.4000112.8L392 L426 A457 I459 D502 A505 V547L392-F508 HydrophobicContact CD1-CE1 3.69Å; L392-F508 HydrophobicContact CD1-CZ 3.99Å; L426-F508 HydrophobicContact CD2-CE2 4.14Å; L426-F508 HydrophobicContact CG-CE2 4.24Å; A457-F508 HydrophobicContact CB-CD1 3.44Å; A457-F508 VanDerWaalsContact CB-CD1 3.44Å; A457-F508 HydrophobicContact CB-CE1 3.61Å; A457-F508 HydrophobicContact CB-CG 4.33Å; I459-F508 HydrophobicContact CB-CZ 4.01Å; I459-F508 HydrophobicContact CG2-CE2 3.91Å; I459-F508 HydrophobicContact CG2-CZ 3.74Å; D502-F508 HydrophobicContact CB-CD2 3.9Å; D502-F508 PolarHBondContact OD2-N 3.43Å; A505-F508 WeakPolarHBondContact CA-O 3.43Å; A505-F508 WeakPolarHBondContact CB-O 3.27Å; F508-V547 WeakPolarHBondContact CA-O 3.47Å; F508-V547 HydrophobicContact CD1-CB 3.74Å; F508-V547 HydrophobicContact CD1-CG1 3.9Å; F508-V547 HydrophobicContact CD1-CG2 4.32Å; F508-V547 HydrophobicContact CE1-CB 4.14Å; F508-V547 HydrophobicContact CE1-CG1 4.2Å; F508-V547 HydrophobicContact CE1-CG2 4.26Å
509Q97.5Very high95.1Very high4 Ų432.8 Ų32.82%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-117.6100.6173.9-18063.367.500111.3L511 V518 L536 N538 P545 V547 V548 H549Q509-L511 HydrophobicContact CG-CD2 3.94Å; Q509-V518 VanDerWaalsContact CD-CG1 3.48Å; Q509-V518 HydrophobicContact CG-CG1 3.76Å; Q509-L536 HydrophobicContact CG-CD2 4.27Å; Q509-N538 PolarHBondContact OE1-ND2 3.13Å; Q509-P545 HydrophobicContact CB-CB 3.67Å; Q509-P545 HydrophobicContact CB-CG 3.7Å; Q509-P545 HydrophobicContact CG-CG 4.28Å; Q509-V547 PolarHBondContact N-O 3.02Å; Q509-V548 HydrophobicContact CB-CG1 4.44Å; Q509-V548 HydrophobicContact CG-CG1 4.43Å; Q509-H549 PolarHBondContact O-N 3.21Å
510N97.1Very high94.4Very high6 Ų633.2 Ų33.23%0.03219%0.185CC..EExtended strand (participates in β ladder)trans-76.7125.7164.7-69.5-58.9000109.3S428 A429 E430 N454 A514 H549S428-N510 VanDerWaalsContact CB-ND2 3.33Å; S428-N510 WeakPolarHBondContact CB-ND2 3.26Å; S428-N510 PolarHBondContact OG-ND2 2.87Å; A429-N510 PolarHBondContact O-ND2 3.48Å; E430-N510 HydrophobicContact CB-CB 4.24Å; N454-N510 PolarHBondContact OD1-OD1 2.9Å; N510-A514 WeakPolarHBondContact O-CB 3.19Å; N510-H549 PolarHBondContact OD1-ND1 3.47Å
511L95.4Very high93.3Very high1 Ų131.8 Ų31.81%0.00518%0.181CC..  trans-83.5-21.8-176-65.9-178.8000113.7Q509 G513 A514 V515 V518 V548 H549 N551 H557 L558 L561Q509-L511 HydrophobicContact CG-CD2 3.94Å; L511-G513 PolarHBondContact O-N 3.28Å; L511-G513 VanDerWaalsContact O-N 3.14Å; L511-A514 CarbonylContact O-C 3.55Å; L511-A514 PolarHBondContact O-N 3.47Å; L511-V515 HydrophobicContact CB-CG2 4.42Å; L511-V515 WeakPolarHBondContact O-CG2 3.33Å; L511-V515 PolarHBondContact O-N 2.89Å; L511-V515 VanDerWaalsContact O-N 3.14Å; L511-V518 HydrophobicContact CD2-CG1 4.47Å; L511-V518 HydrophobicContact CD2-CG2 3.94Å; L511-V548 HydrophobicContact CD1-CG1 4.18Å; L511-V548 HydrophobicContact CD2-CG1 4.13Å; L511-V548 HydrophobicContact CG-CG1 4.16Å; L511-H549 PolarHBondContact N-O 3.07Å; L511-N551 PolarHBondContact N-OD1 3.49Å; L511-N551 VanDerWaalsContact N-OD1 3.17Å; L511-H557 HydrophobicContact CD1-CB 4.47Å; L511-L558 HydrophobicContact CD1-CB 4.05Å; L511-L558 HydrophobicContact CD1-CD1 4.09Å; L511-L561 HydrophobicContact CD1-CD1 3.96Å; L511-L561 HydrophobicContact CD2-CD1 4.18Å
512N93.1Very high92.3Very high36 Ų3632.5 Ų32.519%0.19319%0.187CC..THydrogen-bonded Turntrans-64.6115-178.1-17021000111.4A514 N551 S554N512-A514 VanDerWaalsContact C-N 3.27Å; N512-N551 WeakPolarHBondContact CB-OD1 3.43Å; N512-N551 PolarHBondContact N-OD1 3.22Å; N512-S554 VanDerWaalsContact CA-OG 3.25Å; N512-S554 WeakPolarHBondContact CA-OG 3.47Å; N512-S554 PolarHBondContact N-OG 2.8Å; N512-S554 VanDerWaalsContact N-OG 3.16Å
513G92.3Very high91.2Very high35 Ų3534.3 Ų34.336%0.36120%0.2SC..THydrogen-bonded Turntrans70.620.7-172.800000114.3K450 L511K450-G513 PolarHBondContact NZ-O 2.71Å; L511-G513 PolarHBondContact O-N 3.28Å; L511-G513 VanDerWaalsContact O-N 3.14Å
514A94.7Very high89.9Confident4 Ų437.3 Ų37.33%0.03322%0.219CC..THydrogen-bonded Turntrans-145.213.8178.800000113.9N510 L511 N512 D516 D517N510-A514 WeakPolarHBondContact O-CB 3.19Å; L511-A514 CarbonylContact O-C 3.55Å; L511-A514 PolarHBondContact O-N 3.47Å; N512-A514 VanDerWaalsContact C-N 3.27Å; A514-D516 VanDerWaalsContact C-N 3.28Å; A514-D516 PolarHBondContact O-N 3.26Å; A514-D517 HydrophobicContact CB-CB 4.28Å; A514-D517 WeakPolarHBondContact CB-OD2 3.35Å; A514-D517 WeakPolarHBondContact O-CB 3.49Å; A514-D517 PolarHBondContact O-N 2.98Å
515V91.2Very high88.6Confident44 Ų4437 Ų3727%0.26722%0.217SC..G310 helixtrans-58-39.7176.7177.10000111.9L511 D517 V518 H557L511-V515 HydrophobicContact CB-CG2 4.42Å; L511-V515 WeakPolarHBondContact O-CG2 3.33Å; L511-V515 PolarHBondContact O-N 2.89Å; L511-V515 VanDerWaalsContact O-N 3.14Å; V515-D517 VanDerWaalsContact C-N 3.26Å; V515-D517 PolarHBondContact O-N 3.33Å; V515-V518 WeakPolarHBondContact O-CG2 3.3Å; V515-H557 HydrophobicContact CG1-CB 4.37Å; V515-H557 HydrophobicContact CG2-CB 4.29Å
516D89.3Confident87Confident138 Ų13843 Ų4374%0.73825%0.254SS*.G310 helixtrans-77-8.9177.6-65.9-43.6000113.9A514A514-D516 VanDerWaalsContact C-N 3.28Å; A514-D516 PolarHBondContact O-N 3.26Å
517D92Very high85.4Confident36 Ų3649.2 Ų49.219%0.19328%0.275CS..G310 helixtrans-83.9-12.6177.6-64.6-26.5000111.7K450 A514 V515 N538 L539 A540K450-D517 WeakPolarHBondContact CE-OD2 3.45Å; K450-D517 IonicContact NZ-OD2 2.77Å; K450-D517 PolarHBondContact NZ-OD2 2.9Å; A514-D517 HydrophobicContact CB-CB 4.28Å; A514-D517 WeakPolarHBondContact CB-OD2 3.35Å; A514-D517 WeakPolarHBondContact O-CB 3.49Å; A514-D517 PolarHBondContact O-N 2.98Å; V515-D517 VanDerWaalsContact C-N 3.26Å; V515-D517 PolarHBondContact O-N 3.33Å; D517-N538 CarbonylContact O-C 3.6Å; D517-N538 WeakPolarHBondContact O-CA 3.08Å; D517-L539 PolarHBondContact O-N 2.91Å; D517-A540 HydrophobicContact CB-CB 4.15Å
518V92.4Very high83.8Confident23 Ų2350.5 Ų50.514%0.13928%0.284CS..EExtended strand (participates in β ladder)trans-116.9142.7-173.1-60.70000113.7Q509 L511 V515 L536 D537Q509-V518 VanDerWaalsContact CD-CG1 3.48Å; Q509-V518 HydrophobicContact CG-CG1 3.76Å; L511-V518 HydrophobicContact CD2-CG1 4.47Å; L511-V518 HydrophobicContact CD2-CG2 3.94Å; V515-V518 WeakPolarHBondContact O-CG2 3.3Å; V518-L536 HydrophobicContact CB-CD1 4.05Å; V518-L536 HydrophobicContact CB-CD2 4.33Å; V518-L536 HydrophobicContact CB-CG 4.23Å; V518-L536 HydrophobicContact CG1-CD2 4.21Å; V518-L536 HydrophobicContact CG1-CG 4.47Å; V518-L536 HydrophobicContact CG2-CD1 4.44Å; V518-D537 WeakPolarHBondContact CA-O 3.44Å
519D88.4Confident82.4Confident82 Ų8252.8 Ų52.844%0.43930%0.296SS..EExtended strand (participates in β ladder)trans-145.3168.1171.4-159.4-2.6000109.6D537 L539D519-D537 PolarHBondContact N-O 2.91Å; D519-D537 VanDerWaalsContact N-O 3.11Å; D519-D537 PolarHBondContact O-N 3.5Å; D519-L539 HydrophobicContact CB-CD1 3.83Å; D519-L539 HydrophobicContact CB-CD2 4.5Å; D519-L539 HydrophobicContact CB-CG 4.26Å
520F84.9Confident81Confident18 Ų1857.9 Ų57.98%0.07933%0.33CS..  trans-136.7127.2179.861-85.8000112.3V522 V534 R535 L536 L561 Y564F520-V522 HydrophobicContact CD2-CG1 3.62Å; F520-V522 HydrophobicContact CE2-CG1 3.59Å; F520-V534 HydrophobicContact CB-CG1 3.87Å; F520-V534 HydrophobicContact CD2-CG1 3.84Å; F520-V534 HydrophobicContact CG-CG1 4.26Å; F520-R535 VanDerWaalsContact CA-O 3.31Å; F520-R535 WeakPolarHBondContact CA-O 3.35Å; F520-R535 WeakPolarHBondContact CB-O 3.45Å; F520-L536 HydrophobicContact CB-CD1 4.38Å; F520-L561 HydrophobicContact CD1-CD2 3.7Å; F520-L561 HydrophobicContact CE1-CD2 3.89Å; F520-Y564 HydrophobicContact CD2-CD1 4.38Å; F520-Y564 HydrophobicContact CD2-CD2 4.47Å; F520-Y564 HydrophobicContact CD2-CG 4.18Å; F520-Y564 HydrophobicContact CE1-CD2 4.4Å; F520-Y564 AromaticContact CE2-CD1 3.72Å; F520-Y564 HydrophobicContact CE2-CD1 3.72Å; F520-Y564 AromaticContact CE2-CD2 3.64Å; F520-Y564 HydrophobicContact CE2-CD2 3.64Å; F520-Y564 AromaticContact CE2-CE1 3.85Å; F520-Y564 HydrophobicContact CE2-CE1 3.85Å; F520-Y564 AromaticContact CE2-CE2 3.78Å; F520-Y564 HydrophobicContact CE2-CE2 3.78Å; F520-Y564 AromaticContact CE2-CG 3.62Å; F520-Y564 HydrophobicContact CE2-CG 3.62Å; F520-Y564 AromaticContact CE2-CZ 3.89Å; F520-Y564 HydrophobicContact CZ-CD1 4.46Å; F520-Y564 AromaticContact CZ-CD2 3.6Å; F520-Y564 HydrophobicContact CZ-CD2 3.6Å; F520-Y564 HydrophobicContact CZ-CE1 4.4Å; F520-Y564 AromaticContact CZ-CE2 3.53Å; F520-Y564 HydrophobicContact CZ-CE2 3.53Å; F520-Y564 HydrophobicContact CZ-CG 4.09Å; F520-Y564 AromaticContact CZ-CZ 3.96Å
521D72.8Confident80Confident62 Ų6261.2 Ų61.233%0.33234%0.342SS..  trans-79.6125174.7-163.10.8000111S523D521-S523 WeakPolarHBondContact OD1-CB 3.18Å; D521-S523 PolarHBondContact OD1-N 3.3Å; D521-S523 PolarHBondContact OD1-OG 3.32Å; D521-S523 PolarHBondContact OD2-OG 3.23Å
522V78.6Confident79.2Confident38 Ų3863 Ų6323%0.2335%0.348CS..  trans-102.122.7172.9-62.60000112.2F520 Y564 W569 P571F520-V522 HydrophobicContact CD2-CG1 3.62Å; F520-V522 HydrophobicContact CE2-CG1 3.59Å; V522-Y564 HydrophobicContact CG1-CD1 4.35Å; V522-Y564 HydrophobicContact CG1-CE1 4.39Å; V522-W569 HydrophobicContact CB-CZ3 4.19Å; V522-W569 HydrophobicContact CG1-CZ3 4.18Å; V522-P571 HydrophobicContact CB-CG 4.33Å; V522-P571 WeakPolarHBondContact O-CB 3.45Å; V522-P571 WeakPolarHBondContact O-CG 3.49Å
523S74Confident78.3Confident50 Ų5061.9 Ų61.935%0.3535%0.345SS..SBendtrans-84.8138.6170.3-52.20000109.7D521 D525D521-S523 WeakPolarHBondContact OD1-CB 3.18Å; D521-S523 PolarHBondContact OD1-N 3.3Å; D521-S523 PolarHBondContact OD1-OG 3.32Å; D521-S523 PolarHBondContact OD2-OG 3.23Å; S523-D525 PolarHBondContact O-N 3.12Å
524P68.9Low78.2Confident88 Ų8860.3 Ų60.357%0.57133%0.329SS*.  trans-62.4117.2173.2-15.626.4000110.9P571P524-P571 HydrophobicContact CB-CB 4.4Å; P524-P571 HydrophobicContact CG-CB 3.82Å
525D68.6Low77.9Confident28 Ų2863.3 Ų63.315%0.1534%0.339CS..  trans-99.8108.5166.8-166.7-22.2000108.7S523 R527 S528 R535S523-D525 PolarHBondContact O-N 3.12Å; D525-R527 PolarHBondContact O-N 3.21Å; D525-R527 WeakPolarHBondContact OD1-CB 3.48Å; D525-R527 IonicContact OD1-CZ 3.09Å; D525-R527 PolarHBondContact OD1-N 3.34Å; D525-R527 IonicContact OD1-NE 3.64Å; D525-R527 PolarHBondContact OD1-NE 2.57Å; D525-R527 IonicContact OD1-NH2 2.77Å; D525-R527 PolarHBondContact OD1-NH2 3.3Å; D525-R527 IonicContact OD2-CZ 2.68Å; D525-R527 IonicContact OD2-NE 3.5Å; D525-R527 IonicContact OD2-NH2 2.7Å; D525-R527 PolarHBondContact OD2-NH2 3.02Å; D525-S528 PolarHBondContact O-N 3.12Å; D525-S528 VanDerWaalsContact O-N 3.12Å; D525-S528 PolarHBondContact O-OG 2.95Å; D525-R535 IonicContact OD2-CZ 3.09Å; D525-R535 IonicContact OD2-NH1 2.73Å; D525-R535 IonicContact OD2-NH2 3.24Å; D525-R535 PolarHBondContact OD2-NH2 3.4Å
526P63Low77.9Confident130 Ų13061.2 Ų61.284%0.84433%0.327SS*.THydrogen-bonded Turntrans-66.80.2-179.928.2-35.2000113.8
527R63.2Low78.1Confident207 Ų20757.3 Ų57.378%0.78131%0.306SS*.THydrogen-bonded Turntrans-107.4-8.1176.4-54.7164.5-62168.89.8113.5D525D525-R527 PolarHBondContact O-N 3.21Å; D525-R527 WeakPolarHBondContact OD1-CB 3.48Å; D525-R527 IonicContact OD1-CZ 3.09Å; D525-R527 PolarHBondContact OD1-N 3.34Å; D525-R527 IonicContact OD1-NE 3.64Å; D525-R527 PolarHBondContact OD1-NE 2.57Å; D525-R527 IonicContact OD1-NH2 2.77Å; D525-R527 PolarHBondContact OD1-NH2 3.3Å; D525-R527 IonicContact OD2-CZ 2.68Å; D525-R527 IonicContact OD2-NE 3.5Å; D525-R527 IonicContact OD2-NH2 2.7Å; D525-R527 PolarHBondContact OD2-NH2 3.02Å
528S63.9Low78.1Confident29 Ų2955.6 Ų55.620%0.20330%0.297CS..SBendtrans-74.6146.2173.257.10000110.5D525D525-S528 PolarHBondContact O-N 3.12Å; D525-S528 VanDerWaalsContact O-N 3.12Å; D525-S528 PolarHBondContact O-OG 2.95Å
529D68.3Low78Confident50 Ų5057.5 Ų57.527%0.26731%0.306SS..  trans-51.3129.8167-175.7-26.2000109.3R531 R532D529-R531 PolarHBondContact O-N 3.01Å; D529-R531 VanDerWaalsContact O-N 3.09Å; D529-R531 VanDerWaalsContact OD1-CB 3.25Å; D529-R531 WeakPolarHBondContact OD1-CB 3.48Å; D529-R531 WeakPolarHBondContact OD1-CG 3.47Å; D529-R531 PolarHBondContact OD1-N 3.17Å; D529-R531 IonicContact OD1-NE 3.84Å; D529-R531 PolarHBondContact OD1-NE 3.25Å; D529-R531 IonicContact OD2-CZ 3.67Å; D529-R531 VanDerWaalsContact OD2-CZ 3.28Å; D529-R531 IonicContact OD2-NE 2.76Å; D529-R531 PolarHBondContact OD2-NE 3.25Å; D529-R531 IonicContact OD2-NH2 3.67Å; D529-R531 PolarHBondContact OD2-NH2 2.9Å; D529-R532 HydrophobicContact CB-CB 4.23Å; D529-R532 CarbonylContact O-C 3.56Å; D529-R532 VanDerWaalsContact O-C 3.28Å; D529-R532 WeakPolarHBondContact O-CA 3.46Å; D529-R532 PolarHBondContact O-N 3.21Å
530P69.5Low78Confident110 Ų11055.5 Ų55.571%0.71430%0.301SS*.G310 helixtrans-55.9-23.2175.1-26.335.2000114.3R532 N567P530-R532 VanDerWaalsContact C-N 3.33Å; P530-N567 PolarHBondContact O-ND2 3.31Å
531R74.6Confident78.3Confident77 Ų7756 Ų5629%0.29130%0.302SS..G310 helixtrans-77-15.2171.6-56.3177.1-63159.65.8113.2F345 D410 D529 N567F345-R531 HydrophobicContact CD1-CB 4.28Å; F345-R531 HydrophobicContact CE1-CB 4Å; F345-R531 VanDerWaalsContact CE1-O 3.23Å; F345-R531 WeakPolarHBondContact CE1-O 3.32Å; F345-R531 VanDerWaalsContact CZ-O 3.27Å; F345-R531 WeakPolarHBondContact CZ-O 3.3Å; D410-R531 IonicContact OD2-CZ 2.62Å; D410-R531 IonicContact OD2-NH1 3.59Å; D410-R531 IonicContact OD2-NH2 3.4Å; D410-R531 PolarHBondContact OD2-NH2 3.07Å; D529-R531 PolarHBondContact O-N 3.01Å; D529-R531 VanDerWaalsContact O-N 3.09Å; D529-R531 VanDerWaalsContact OD1-CB 3.25Å; D529-R531 WeakPolarHBondContact OD1-CB 3.48Å; D529-R531 WeakPolarHBondContact OD1-CG 3.47Å; D529-R531 PolarHBondContact OD1-N 3.17Å; D529-R531 IonicContact OD1-NE 3.84Å; D529-R531 PolarHBondContact OD1-NE 3.25Å; D529-R531 IonicContact OD2-CZ 3.67Å; D529-R531 VanDerWaalsContact OD2-CZ 3.28Å; D529-R531 IonicContact OD2-NE 2.76Å; D529-R531 PolarHBondContact OD2-NE 3.25Å; D529-R531 IonicContact OD2-NH2 3.67Å; D529-R531 PolarHBondContact OD2-NH2 2.9Å; R531-N567 VanDerWaalsContact O-CB 3.32Å; R531-N567 WeakPolarHBondContact O-CB 3.45Å
532R78.5Confident79.2Confident37 Ų3757.3 Ų57.314%0.1432%0.316CS..G310 helixtrans-120.554.1177.4-160.7176.792.1-129.414.6110.6F345 N408 L413 D529 P530 V534 E544F345-R532 HydrophobicContact CE1-CB 4.23Å; F345-R532 HydrophobicContact CZ-CB 4.47Å; N408-R532 WeakPolarHBondContact O-CD 3.45Å; L413-R532 VanDerWaalsContact CD2-NH1 3.31Å; D529-R532 HydrophobicContact CB-CB 4.23Å; D529-R532 CarbonylContact O-C 3.56Å; D529-R532 VanDerWaalsContact O-C 3.28Å; D529-R532 WeakPolarHBondContact O-CA 3.46Å; D529-R532 PolarHBondContact O-N 3.21Å; P530-R532 VanDerWaalsContact C-N 3.33Å; R532-V534 PolarHBondContact O-N 2.68Å; R532-E544 IonicContact CZ-OE1 3.66Å; R532-E544 IonicContact CZ-OE2 2.93Å; R532-E544 IonicContact NE-OE1 3.72Å; R532-E544 PolarHBondContact NE-OE1 3.41Å; R532-E544 IonicContact NH2-OE1 2.71Å; R532-E544 PolarHBondContact NH2-OE1 3.46Å; R532-E544 IonicContact NH2-OE2 3.68Å; R532-E544 PolarHBondContact NH2-OE2 2.83Å
533G75.9Confident79.8Confident13 Ų1355.8 Ų55.813%0.13431%0.307CS..  trans-69.4-10.2-174.800000116P571G533-P571 VanDerWaalsContact O-CD 3.25Å; G533-P571 WeakPolarHBondContact O-CD 3.39Å
534V89.3Confident80.7Confident2 Ų254.9 Ų54.91%0.01230%0.297CS..SBendtrans-133.7138.5168.3178.90000108.7N408 F520 R532 L565 W569 N570N408-V534 PolarHBondContact ND2-O 3.22Å; F520-V534 HydrophobicContact CB-CG1 3.87Å; F520-V534 HydrophobicContact CD2-CG1 3.84Å; F520-V534 HydrophobicContact CG-CG1 4.26Å; R532-V534 PolarHBondContact O-N 2.68Å; V534-L565 HydrophobicContact CG1-CD2 4.31Å; V534-W569 WeakPolarHBondContact CG2-O 3.36Å; V534-N570 HydrophobicContact CG2-CB 4.39Å
535R89.1Confident82Confident67 Ų6750.7 Ų50.725%0.25327%0.27SS..  trans-109.5151.8177.3-62.1-173.8-76.5-153.7-15.2110.5F520 D525 E544F520-R535 VanDerWaalsContact CA-O 3.31Å; F520-R535 WeakPolarHBondContact CA-O 3.35Å; F520-R535 WeakPolarHBondContact CB-O 3.45Å; D525-R535 IonicContact OD2-CZ 3.09Å; D525-R535 IonicContact OD2-NH1 2.73Å; D525-R535 IonicContact OD2-NH2 3.24Å; D525-R535 PolarHBondContact OD2-NH2 3.4Å; R535-E544 HydrophobicContact CB-CG 4.37Å; R535-E544 WeakPolarHBondContact CB-OE1 3.42Å; R535-E544 VanDerWaalsContact CD-CD 3.48Å; R535-E544 WeakPolarHBondContact CD-OE1 3.3Å; R535-E544 WeakPolarHBondContact CD-OE2 3.49Å; R535-E544 WeakPolarHBondContact CG-OE1 3.4Å
536L91.7Very high83.3Confident0 Ų049.4 Ų49.40%026%0.263CS..  trans-106.9119.6169-168.974.9000108.1Q509 V518 F520 E544 P545 V548 L561 L565Q509-L536 HydrophobicContact CG-CD2 4.27Å; V518-L536 HydrophobicContact CB-CD1 4.05Å; V518-L536 HydrophobicContact CB-CD2 4.33Å; V518-L536 HydrophobicContact CB-CG 4.23Å; V518-L536 HydrophobicContact CG1-CD2 4.21Å; V518-L536 HydrophobicContact CG1-CG 4.47Å; V518-L536 HydrophobicContact CG2-CD1 4.44Å; F520-L536 HydrophobicContact CB-CD1 4.38Å; L536-E544 WeakPolarHBondContact O-CG 3.48Å; L536-P545 HydrophobicContact CD2-CG 4.39Å; L536-P545 WeakPolarHBondContact O-CD 3.45Å; L536-V548 HydrophobicContact CD2-CB 4.43Å; L536-V548 HydrophobicContact CD2-CG1 3.91Å; L536-V548 HydrophobicContact CD2-CG2 3.58Å; L536-L561 HydrophobicContact CD1-CD1 4.15Å; L536-L561 HydrophobicContact CD1-CD2 3.9Å; L536-L561 HydrophobicContact CD2-CD1 4.46Å; L536-L565 HydrophobicContact CB-CD1 4.18Å; L536-L565 HydrophobicContact CB-CD2 4.08Å; L536-L565 HydrophobicContact CD1-CD1 4.36Å; L536-L565 HydrophobicContact CD2-CD1 4.23Å
537D92Very high84.9Confident56 Ų5643.2 Ų43.230%0.29922%0.223SC..EExtended strand (participates in β ladder)trans-100.3128.7176.8-63.8-51.8000109.3V518 D519 L539V518-D537 WeakPolarHBondContact CA-O 3.44Å; D519-D537 PolarHBondContact N-O 2.91Å; D519-D537 VanDerWaalsContact N-O 3.11Å; D519-D537 PolarHBondContact O-N 3.5Å; D537-L539 HydrophobicContact CB-CD2 4.14Å; D537-L539 PolarHBondContact O-N 3.43Å
538N93.3Very high86.5Confident1 Ų133.3 Ų33.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-84.1105.4163.7-176.8-57.8000108.8Q509 D517 A540 Y541 S542 S543Q509-N538 PolarHBondContact OE1-ND2 3.13Å; D517-N538 CarbonylContact O-C 3.6Å; D517-N538 WeakPolarHBondContact O-CA 3.08Å; N538-A540 VanDerWaalsContact C-N 3.3Å; N538-A540 PolarHBondContact O-N 3.05Å; N538-A540 WeakPolarHBondContact OD1-CB 3.42Å; N538-A540 PolarHBondContact OD1-N 2.8Å; N538-Y541 PolarHBondContact O-N 3.31Å; N538-Y541 WeakPolarHBondContact OD1-CD2 3.42Å; N538-Y541 PolarHBondContact OD1-N 3.16Å; N538-S542 VanDerWaalsContact O-CA 3.29Å; N538-S542 WeakPolarHBondContact O-CA 3.19Å; N538-S542 PolarHBondContact O-N 2.8Å; N538-S543 WeakPolarHBondContact CB-OG 3.16Å; N538-S543 PolarHBondContact N-O 2.79Å; N538-S543 PolarHBondContact O-N 3.25Å
539L89.4Confident88Confident63 Ų6332.3 Ų32.333%0.3318%0.178SC..THydrogen-bonded Turntrans-71.3-21.4-176.2-56.3-176.6000113.5D517 D519 D537D517-L539 PolarHBondContact O-N 2.91Å; D519-L539 HydrophobicContact CB-CD1 3.83Å; D519-L539 HydrophobicContact CB-CD2 4.5Å; D519-L539 HydrophobicContact CB-CG 4.26Å; D537-L539 HydrophobicContact CB-CD2 4.14Å; D537-L539 PolarHBondContact O-N 3.43Å
540A89Confident89.2Confident40 Ų4029.9 Ų29.933%0.33117%0.165SC..THydrogen-bonded Turntrans-77.8-32.9178.400000112.3R448 D517 N538R448-A540 PolarHBondContact NH2-O 3.27Å; D517-A540 HydrophobicContact CB-CB 4.15Å; N538-A540 VanDerWaalsContact C-N 3.3Å; N538-A540 PolarHBondContact O-N 3.05Å; N538-A540 WeakPolarHBondContact OD1-CB 3.42Å; N538-A540 PolarHBondContact OD1-N 2.8Å
541Y91.1Very high90.2Very high29 Ų2925 Ų2511%0.11413%0.133CC..THydrogen-bonded Turntrans-108.6-19.2-176.8-54.8-46.8000114.3R448 K450 T504 A505 N538R448-Y541 HydrophobicContact CG-CD1 4.34Å; R448-Y541 HydrophobicContact CG-CE1 4.4Å; R448-Y541 VanDerWaalsContact NH2-CA 3.35Å; R448-Y541 PolarHBondContact NH2-O 3.27Å; K450-Y541 HydrophobicContact CD-CE2 4.49Å; K450-Y541 WeakPolarHBondContact CD-OH 3.48Å; K450-Y541 WeakPolarHBondContact CE-OH 3.21Å; K450-Y541 HydrophobicContact CG-CE2 4.13Å; T504-Y541 HydrophobicContact CG2-CD1 4.26Å; T504-Y541 HydrophobicContact CG2-CG 4.25Å; T504-Y541 VanDerWaalsContact O-CB 3.23Å; T504-Y541 WeakPolarHBondContact O-CB 3.21Å; T504-Y541 WeakPolarHBondContact O-CD2 3.38Å; A505-Y541 HydrophobicContact CB-CD2 4.46Å; N538-Y541 PolarHBondContact O-N 3.31Å; N538-Y541 WeakPolarHBondContact OD1-CD2 3.42Å; N538-Y541 PolarHBondContact OD1-N 3.16Å
542S90.8Very high90.7Very high89 Ų8923.7 Ų23.762%0.62214%0.143SC*.THydrogen-bonded Turntrans65.840.4-172.3-48.80000112.7N538N538-S542 VanDerWaalsContact O-CA 3.29Å; N538-S542 WeakPolarHBondContact O-CA 3.19Å; N538-S542 PolarHBondContact O-N 2.8Å
543S92.1Very high91Very high5 Ų526.7 Ų26.74%0.03517%0.167CC..BIsolated β-bridgetrans-113.8161.8178.660.70000111.6T504 A505 E506 N538 P545T504-S543 PolarHBondContact O-OG 2.9Å; A505-S543 WeakPolarHBondContact O-CB 3.46Å; A505-S543 PolarHBondContact O-OG 3.44Å; E506-S543 VanDerWaalsContact OE2-CB 3.27Å; E506-S543 WeakPolarHBondContact OE2-CB 3.41Å; N538-S543 WeakPolarHBondContact CB-OG 3.16Å; N538-S543 PolarHBondContact N-O 2.79Å; N538-S543 PolarHBondContact O-N 3.25Å; S543-P545 WeakPolarHBondContact O-CD 3.35Å
544E92.7Very high91.6Very high31 Ų3126.3 Ų26.315%0.14516%0.162CC..  trans-117.683.4177.2-167.3-165.8159.600110.3R532 R535 L536R532-E544 IonicContact CZ-OE1 3.66Å; R532-E544 IonicContact CZ-OE2 2.93Å; R532-E544 IonicContact NE-OE1 3.72Å; R532-E544 PolarHBondContact NE-OE1 3.41Å; R532-E544 IonicContact NH2-OE1 2.71Å; R532-E544 PolarHBondContact NH2-OE1 3.46Å; R532-E544 IonicContact NH2-OE2 3.68Å; R532-E544 PolarHBondContact NH2-OE2 2.83Å; R535-E544 HydrophobicContact CB-CG 4.37Å; R535-E544 WeakPolarHBondContact CB-OE1 3.42Å; R535-E544 VanDerWaalsContact CD-CD 3.48Å; R535-E544 WeakPolarHBondContact CD-OE1 3.3Å; R535-E544 WeakPolarHBondContact CD-OE2 3.49Å; R535-E544 WeakPolarHBondContact CG-OE1 3.4Å; L536-E544 WeakPolarHBondContact O-CG 3.48Å
545P95.7Very high91.5Very high1 Ų128.3 Ų28.31%0.00617%0.171CC..  trans-66.2143.2-18024.9-34.3000112.9Q509 L536 S543Q509-P545 HydrophobicContact CB-CB 3.67Å; Q509-P545 HydrophobicContact CB-CG 3.7Å; Q509-P545 HydrophobicContact CG-CG 4.28Å; L536-P545 HydrophobicContact CD2-CG 4.39Å; L536-P545 WeakPolarHBondContact O-CD 3.45Å; S543-P545 WeakPolarHBondContact O-CD 3.35Å
546L95.4Very high91.4Very high0 Ų027.8 Ų27.80%017%0.173CC..SBendtrans-106.3-22.7-174.7-49.2175.5000113.3V407 N408 L413 I414 R417 L507V407-L546 CarbonylContact C-O 3.58Å; V407-L546 WeakPolarHBondContact CA-O 3.23Å; N408-L546 PolarHBondContact N-O 3.21Å; L413-L546 HydrophobicContact CB-CD1 4.16Å; L413-L546 HydrophobicContact CD2-CD1 3.85Å; L413-L546 HydrophobicContact CD2-CD2 3.64Å; L413-L546 HydrophobicContact CD2-CG 4.41Å; L413-L546 HydrophobicContact CG-CD1 3.7Å; L413-L546 HydrophobicContact CG-CD2 4.38Å; I414-L546 HydrophobicContact CG1-CD1 3.97Å; R417-L546 HydrophobicContact CG-CD1 4.12Å; L507-L546 HydrophobicContact CD1-CB 4.06Å; L507-L546 HydrophobicContact CD1-CD1 3.96Å; L507-L546 HydrophobicContact CD1-CG 4.27Å; L507-L546 PolarHBondContact O-N 3.04Å
547V96.8Very high91.4Very high0 Ų031.4 Ų31.40%019%0.189CC..EExtended strand (participates in β ladder)trans-117.1106-179.9-179.70000108L392 I394 V405 A457 L507 F508 Q509L392-V547 HydrophobicContact CD2-CG2 4.18Å; I394-V547 HydrophobicContact CG2-CG1 3.81Å; V405-V547 HydrophobicContact CG1-CG1 3.83Å; A457-V547 HydrophobicContact CB-CG1 4.26Å; L507-V547 HydrophobicContact CD1-CG2 4.37Å; L507-V547 PolarHBondContact O-N 3.4Å; F508-V547 WeakPolarHBondContact CA-O 3.47Å; F508-V547 HydrophobicContact CD1-CB 3.74Å; F508-V547 HydrophobicContact CD1-CG1 3.9Å; F508-V547 HydrophobicContact CD1-CG2 4.32Å; F508-V547 HydrophobicContact CE1-CB 4.14Å; F508-V547 HydrophobicContact CE1-CG1 4.2Å; F508-V547 HydrophobicContact CE1-CG2 4.26Å; Q509-V547 PolarHBondContact N-O 3.02Å
548V96.6Very high91.5Very high0 Ų028.7 Ų28.70%018%0.175CC..EExtended strand (participates in β ladder)trans-104.2116.9-172.8-1700000109.4V405 V406 Q509 L511 L536 L558 L561 L565V405-V548 CarbonylContact C-O 3.54Å; V405-V548 VanDerWaalsContact CA-O 3.31Å; V405-V548 WeakPolarHBondContact CA-O 3.29Å; V406-V548 PolarHBondContact N-O 2.84Å; V406-V548 PolarHBondContact O-N 2.9Å; Q509-V548 HydrophobicContact CB-CG1 4.44Å; Q509-V548 HydrophobicContact CG-CG1 4.43Å; L511-V548 HydrophobicContact CD1-CG1 4.18Å; L511-V548 HydrophobicContact CD2-CG1 4.13Å; L511-V548 HydrophobicContact CG-CG1 4.16Å; L536-V548 HydrophobicContact CD2-CB 4.43Å; L536-V548 HydrophobicContact CD2-CG1 3.91Å; L536-V548 HydrophobicContact CD2-CG2 3.58Å; V548-L558 HydrophobicContact CB-CD1 4.18Å; V548-L558 HydrophobicContact CG1-CD1 3.75Å; V548-L561 HydrophobicContact CG1-CD1 4.28Å; V548-L565 HydrophobicContact CB-CD1 4.47Å; V548-L565 HydrophobicContact CG2-CD1 3.87Å
549H95.6Very high91.5Very high7 Ų729.9 Ų29.93%0.03218%0.181CC..EExtended strand (participates in β ladder)trans-112.2112.1-173.6-178.5-153.3000110.4D404 V405 N454 Q509 N510 L511 N551D404-H549 CarbonylContact O-C 3.58Å; D404-H549 WeakPolarHBondContact O-CA 3.34Å; D404-H549 PolarHBondContact O-CD2 2.9Å; D404-H549 IonicContact OD1-CD2 3.02Å; D404-H549 IonicContact OD1-NE2 3.89Å; V405-H549 HydrophobicContact CG2-CB 4.41Å; N454-H549 PolarHBondContact OD1-CE1 3.22Å; N454-H549 VanDerWaalsContact OD1-CE1 3.28Å; N454-H549 PolarHBondContact OD1-ND1 2.9Å; Q509-H549 PolarHBondContact O-N 3.21Å; N510-H549 PolarHBondContact OD1-ND1 3.47Å; L511-H549 PolarHBondContact N-O 3.07Å; H549-N551 PolarHBondContact O-N 3.41Å; H549-N551 PolarHBondContact O-OD1 2.92Å
550G93.4Very high91.6Very high0 Ų029 Ų290%018%0.175CC..  trans-78.939.2-179.500000114.4D404 S554 K555D404-G550 PolarHBondContact O-N 3.41Å; G550-S554 CarbonylContact O-C 3.35Å; G550-K555 WeakPolarHBondContact O-CG 3.45Å; G550-K555 PolarHBondContact O-N 3.47Å
551N90.8Very high91.9Very high8 Ų827.7 Ų27.74%0.04316%0.162CC..  trans-55.3150.2-169.966.1-32.5000114.3N454 L511 N512 H549 S554N454-N551 PolarHBondContact ND2-ND2 3.5Å; L511-N551 PolarHBondContact N-OD1 3.49Å; L511-N551 VanDerWaalsContact N-OD1 3.17Å; N512-N551 WeakPolarHBondContact CB-OD1 3.43Å; N512-N551 PolarHBondContact N-OD1 3.22Å; H549-N551 PolarHBondContact O-N 3.41Å; H549-N551 PolarHBondContact O-OD1 2.92Å; N551-S554 VanDerWaalsContact O-CB 3.29Å; N551-S554 WeakPolarHBondContact O-CB 3.33Å; N551-S554 PolarHBondContact O-N 2.74Å; N551-S554 PolarHBondContact O-OG 3.08Å
552G85.3Confident92Very high49 Ų4926.5 Ų26.551%0.50516%0.159SC..G310 helixtrans59.8-124.3178.500000112.8S554G552-S554 PolarHBondContact O-N 3.48Å
553P84.1Confident92.2Very high100 Ų10022.6 Ų22.665%0.64913%0.131SC*.G310 helixtrans-75.9-3.9-179.633.3-35.9000113.7K555P553-K555 VanDerWaalsContact C-N 3.26Å; P553-K555 PolarHBondContact O-N 2.93Å
554S89.5Confident92.3Very high4 Ų422.4 Ų22.43%0.02813%0.129CC..G310 helixtrans-821.9-166.4-38.80000114.7N512 G550 N551 G552 I556 H557 L558N512-S554 VanDerWaalsContact CA-OG 3.25Å; N512-S554 WeakPolarHBondContact CA-OG 3.47Å; N512-S554 PolarHBondContact N-OG 2.8Å; N512-S554 VanDerWaalsContact N-OG 3.16Å; G550-S554 CarbonylContact O-C 3.35Å; N551-S554 VanDerWaalsContact O-CB 3.29Å; N551-S554 WeakPolarHBondContact O-CB 3.33Å; N551-S554 PolarHBondContact O-N 2.74Å; N551-S554 PolarHBondContact O-OG 3.08Å; G552-S554 PolarHBondContact O-N 3.48Å; S554-I556 VanDerWaalsContact C-N 3.31Å; S554-I556 PolarHBondContact O-N 3.33Å; S554-H557 WeakPolarHBondContact O-CA 3.45Å; S554-H557 WeakPolarHBondContact O-CB 3.35Å; S554-H557 PolarHBondContact O-N 2.87Å; S554-L558 PolarHBondContact O-N 3.05Å
555K87.2Confident92.3Very high45 Ų4521 Ų2120%0.19612%0.123CC..Hα-helixtrans-55.7-39.5-175.8-64.4174.5178.7-71.10113.3S402 D404 G550 P553 L558 N559S402-K555 PolarHBondContact O-NZ 3.27Å; S402-K555 WeakPolarHBondContact OG-CD 3.47Å; S402-K555 PolarHBondContact OG-NZ 2.83Å; D404-K555 HydrophobicContact CB-CG 4.06Å; D404-K555 IonicContact OD1-NZ 3.45Å; D404-K555 WeakPolarHBondContact OD2-CE 2.99Å; D404-K555 IonicContact OD2-NZ 3.9Å; D404-K555 PolarHBondContact OD2-NZ 3.03Å; G550-K555 WeakPolarHBondContact O-CG 3.45Å; G550-K555 PolarHBondContact O-N 3.47Å; P553-K555 VanDerWaalsContact C-N 3.26Å; P553-K555 PolarHBondContact O-N 2.93Å; K555-L558 PolarHBondContact O-N 3.4Å; K555-N559 PolarHBondContact O-N 3.39Å; K555-N559 PolarHBondContact O-OD1 3.07Å; K555-N559 VanDerWaalsContact O-OD1 3.07Å
556I87.7Confident92.1Very high55 Ų5521 Ų2128%0.28212%0.123SC..Hα-helixtrans-65.8-39.3176.7-63176.5000111.3S554 L558 N559 K560 P769S554-I556 VanDerWaalsContact C-N 3.31Å; S554-I556 PolarHBondContact O-N 3.33Å; I556-L558 VanDerWaalsContact C-N 3.35Å; I556-N559 WeakPolarHBondContact O-CB 3.08Å; I556-N559 PolarHBondContact O-N 2.84Å; I556-K560 PolarHBondContact O-N 3.37Å; I556-K560 VanDerWaalsContact O-N 3.17Å; I556-P769 HydrophobicContact CG2-CB 4.15Å; I556-P769 HydrophobicContact CG2-CG 4.41Å
557H90.9Very high91.9Very high76 Ų7621.4 Ų21.435%0.35213%0.125SC..Hα-helixtrans-65.5-39.3175.6-62.9100.5000111.4L511 V515 S554 K560 L561L511-H557 HydrophobicContact CD1-CB 4.47Å; V515-H557 HydrophobicContact CG1-CB 4.37Å; V515-H557 HydrophobicContact CG2-CB 4.29Å; S554-H557 WeakPolarHBondContact O-CA 3.45Å; S554-H557 WeakPolarHBondContact O-CB 3.35Å; S554-H557 PolarHBondContact O-N 2.87Å; H557-K560 WeakPolarHBondContact O-CB 3.4Å; H557-K560 PolarHBondContact O-N 2.81Å; H557-L561 WeakPolarHBondContact O-CG 3.47Å; H557-L561 PolarHBondContact O-N 3.1Å
558L93.9Very high91.7Very high0 Ų022.2 Ų22.20%013%0.128CC..Hα-helixtrans-66.6-36.6172.8-17177.3000112.8D404 V406 L511 V548 S554 K555 I556 K560 L561 G562D404-L558 VanDerWaalsContact CA-CD2 3.4Å; D404-L558 HydrophobicContact CB-CD2 3.87Å; D404-L558 WeakPolarHBondContact O-CD2 3.46Å; V406-L558 HydrophobicContact CB-CD1 4.4Å; V406-L558 HydrophobicContact CG2-CD1 4.03Å; V406-L558 HydrophobicContact CG2-CD2 4.36Å; V406-L558 HydrophobicContact CG2-CG 4.13Å; L511-L558 HydrophobicContact CD1-CB 4.05Å; L511-L558 HydrophobicContact CD1-CD1 4.09Å; V548-L558 HydrophobicContact CB-CD1 4.18Å; V548-L558 HydrophobicContact CG1-CD1 3.75Å; S554-L558 PolarHBondContact O-N 3.05Å; K555-L558 PolarHBondContact O-N 3.4Å; I556-L558 VanDerWaalsContact C-N 3.35Å; L558-K560 VanDerWaalsContact C-N 3.29Å; L558-K560 PolarHBondContact O-N 3.42Å; L558-L561 PolarHBondContact O-N 3.16Å; L558-G562 PolarHBondContact O-N 3.42Å
559N92.8Very high91.6Very high25 Ų2523.2 Ų23.213%0.13413%0.132CC..Hα-helixtrans-57.9-43.9174.3-72.510.4000111.2R337 K555 I556 G562 N563 F811R337-N559 PolarHBondContact NH1-OD1 3.04Å; K555-N559 PolarHBondContact O-N 3.39Å; K555-N559 PolarHBondContact O-OD1 3.07Å; K555-N559 VanDerWaalsContact O-OD1 3.07Å; I556-N559 WeakPolarHBondContact O-CB 3.08Å; I556-N559 PolarHBondContact O-N 2.84Å; N559-G562 PolarHBondContact O-N 2.98Å; N559-N563 PolarHBondContact O-N 3.1Å; N559-F811 WeakPolarHBondContact ND2-CE1 3.45Å
560K92.9Very high91.2Very high46 Ų4623.4 Ų23.420%0.213%0.133CC..Hα-helixtrans-61.2-51.2172.7179.1-157.4165.6-163.30112I556 H557 L558 G562 N563 D752I556-K560 PolarHBondContact O-N 3.37Å; I556-K560 VanDerWaalsContact O-N 3.17Å; H557-K560 WeakPolarHBondContact O-CB 3.4Å; H557-K560 PolarHBondContact O-N 2.81Å; L558-K560 VanDerWaalsContact C-N 3.29Å; L558-K560 PolarHBondContact O-N 3.42Å; K560-G562 VanDerWaalsContact C-N 3.27Å; K560-G562 PolarHBondContact O-N 2.74Å; K560-N563 WeakPolarHBondContact O-CB 3.34Å; K560-N563 PolarHBondContact O-N 3.43Å; K560-N563 VanDerWaalsContact O-N 3.12Å; K560-D752 WeakPolarHBondContact CE-OD1 3.47Å; K560-D752 IonicContact NZ-OD1 2.72Å; K560-D752 PolarHBondContact NZ-OD1 3.34Å; K560-D752 IonicContact NZ-OD2 3.18Å; K560-D752 PolarHBondContact NZ-OD2 3.12Å
561L94.3Very high90.9Very high12 Ų1225 Ų256%0.06314%0.143CC..Hα-helixtrans-61.5-35.8179.8-68.1178.1000112.2L511 F520 L536 V548 H557 L558 N563 Y564 L565L511-L561 HydrophobicContact CD1-CD1 3.96Å; L511-L561 HydrophobicContact CD2-CD1 4.18Å; F520-L561 HydrophobicContact CD1-CD2 3.7Å; F520-L561 HydrophobicContact CE1-CD2 3.89Å; L536-L561 HydrophobicContact CD1-CD1 4.15Å; L536-L561 HydrophobicContact CD1-CD2 3.9Å; L536-L561 HydrophobicContact CD2-CD1 4.46Å; V548-L561 HydrophobicContact CG1-CD1 4.28Å; H557-L561 WeakPolarHBondContact O-CG 3.47Å; H557-L561 PolarHBondContact O-N 3.1Å; L558-L561 PolarHBondContact O-N 3.16Å; L561-N563 PolarHBondContact O-N 2.93Å; L561-Y564 PolarHBondContact O-N 3.26Å; L561-L565 HydrophobicContact CB-CD1 4.01Å; L561-L565 HydrophobicContact CB-CG 4.41Å; L561-L565 WeakPolarHBondContact O-CG 3.47Å; L561-L565 PolarHBondContact O-N 2.92Å
562G93.9Very high90.6Very high4 Ų429.5 Ų29.54%0.04118%0.175CC..THydrogen-bonded Turntrans-66.4-9.8176.100000115.2L558 N559 K560 Y564 W568L558-G562 PolarHBondContact O-N 3.42Å; N559-G562 PolarHBondContact O-N 2.98Å; K560-G562 VanDerWaalsContact C-N 3.27Å; K560-G562 PolarHBondContact O-N 2.74Å; G562-Y564 PolarHBondContact O-N 3.28Å; G562-W568 WeakPolarHBondContact O-CB 3.25Å
563N95Very high90.6Very high6 Ų630.6 Ų30.63%0.03218%0.18CC..THydrogen-bonded Turntrans-76-5.5167.3-65.7-35.2000113N559 K560 L561 W569 W766 N767N559-N563 PolarHBondContact O-N 3.1Å; K560-N563 WeakPolarHBondContact O-CB 3.34Å; K560-N563 PolarHBondContact O-N 3.43Å; K560-N563 VanDerWaalsContact O-N 3.12Å; L561-N563 PolarHBondContact O-N 2.93Å; N563-W569 VanDerWaalsContact O-CB 3.26Å; N563-W569 WeakPolarHBondContact O-CB 3.37Å; N563-W766 HydrophobicContact CB-CE3 3.85Å; N563-W766 HydrophobicContact CB-CZ3 4.19Å; N563-N767 PolarHBondContact ND2-O 2.9Å; N563-N767 VanDerWaalsContact OD1-CB 3.27Å; N563-N767 WeakPolarHBondContact OD1-CB 3.47Å; N563-N767 PolarHBondContact OD1-N 2.03Å
564Y94.1Very high90.9Very high1 Ų126.9 Ų26.90%0.00416%0.159CC..THydrogen-bonded Turntrans-129.3-55.1-177.8-58.3-85.8000111F520 V522 L561 G562 N567 W568 W569 D753 R762 W766F520-Y564 HydrophobicContact CD2-CD1 4.38Å; F520-Y564 HydrophobicContact CD2-CD2 4.47Å; F520-Y564 HydrophobicContact CD2-CG 4.18Å; F520-Y564 HydrophobicContact CE1-CD2 4.4Å; F520-Y564 AromaticContact CE2-CD1 3.72Å; F520-Y564 HydrophobicContact CE2-CD1 3.72Å; F520-Y564 AromaticContact CE2-CD2 3.64Å; F520-Y564 HydrophobicContact CE2-CD2 3.64Å; F520-Y564 AromaticContact CE2-CE1 3.85Å; F520-Y564 HydrophobicContact CE2-CE1 3.85Å; F520-Y564 AromaticContact CE2-CE2 3.78Å; F520-Y564 HydrophobicContact CE2-CE2 3.78Å; F520-Y564 AromaticContact CE2-CG 3.62Å; F520-Y564 HydrophobicContact CE2-CG 3.62Å; F520-Y564 AromaticContact CE2-CZ 3.89Å; F520-Y564 HydrophobicContact CZ-CD1 4.46Å; F520-Y564 AromaticContact CZ-CD2 3.6Å; F520-Y564 HydrophobicContact CZ-CD2 3.6Å; F520-Y564 HydrophobicContact CZ-CE1 4.4Å; F520-Y564 AromaticContact CZ-CE2 3.53Å; F520-Y564 HydrophobicContact CZ-CE2 3.53Å; F520-Y564 HydrophobicContact CZ-CG 4.09Å; F520-Y564 AromaticContact CZ-CZ 3.96Å; V522-Y564 HydrophobicContact CG1-CD1 4.35Å; V522-Y564 HydrophobicContact CG1-CE1 4.39Å; L561-Y564 PolarHBondContact O-N 3.26Å; G562-Y564 PolarHBondContact O-N 3.28Å; Y564-N567 PolarHBondContact O-N 2.7Å; Y564-W568 PolarHBondContact O-N 3.45Å; Y564-W569 HydrophobicContact CD1-CB 4.41Å; Y564-W569 HydrophobicContact CD1-CD2 4.42Å; Y564-W569 AromaticContact CD1-CE3 3.79Å; Y564-W569 HydrophobicContact CD1-CE3 3.79Å; Y564-W569 HydrophobicContact CE1-CD2 4.38Å; Y564-W569 AromaticContact CE1-CE3 3.93Å; Y564-W569 HydrophobicContact CE1-CE3 3.93Å; Y564-W569 HydrophobicContact CE1-CZ3 4.46Å; Y564-D753 WeakPolarHBondContact CE2-OD2 3.35Å; Y564-D753 VanDerWaalsContact OH-CB 3.23Å; Y564-D753 WeakPolarHBondContact OH-CB 3.31Å; Y564-D753 PolarHBondContact OH-OD2 3.47Å; Y564-R762 PolarHBondContact OH-NH1 2.85Å; Y564-W766 HydrophobicContact CE1-CH2 4.24Å; Y564-W766 AromaticContact CE1-CZ3 3.79Å; Y564-W766 HydrophobicContact CE1-CZ3 3.79Å; Y564-W766 HydrophobicContact CE2-CZ3 4.28Å; Y564-W766 AromaticContact CZ-CZ3 3.6Å; Y564-W766 WeakPolarHBondContact OH-CZ3 3.28Å
565L93.1Very high91.1Very high3 Ų327.6 Ų27.62%0.01616%0.164CC..THydrogen-bonded Turntrans-64.7154.6-179.5-56.4-174.8000111.9V406 V534 L536 V548 L561 N567V406-L565 HydrophobicContact CG1-CB 3.84Å; V534-L565 HydrophobicContact CG1-CD2 4.31Å; L536-L565 HydrophobicContact CB-CD1 4.18Å; L536-L565 HydrophobicContact CB-CD2 4.08Å; L536-L565 HydrophobicContact CD1-CD1 4.36Å; L536-L565 HydrophobicContact CD2-CD1 4.23Å; V548-L565 HydrophobicContact CB-CD1 4.47Å; V548-L565 HydrophobicContact CG2-CD1 3.87Å; L561-L565 HydrophobicContact CB-CD1 4.01Å; L561-L565 HydrophobicContact CB-CG 4.41Å; L561-L565 WeakPolarHBondContact O-CG 3.47Å; L561-L565 PolarHBondContact O-N 2.92Å; L565-N567 PolarHBondContact O-N 2.79Å
566G90.9Very high91.2Very high0 Ų027.5 Ų27.50%017%0.167CC..THydrogen-bonded Turntrans6725.6-169.400000112.2R340 Q344 N408 W568R340-G566 PolarHBondContact NH1-O 3.35Å; Q344-G566 WeakPolarHBondContact CG-O 3.42Å; N408-G566 PolarHBondContact OD1-N 3.14Å; G566-W568 VanDerWaalsContact C-N 3.32Å; G566-W568 PolarHBondContact O-N 3.37Å
567N91.3Very high91.3Very high9 Ų925 Ų255%0.04816%0.155CC..THydrogen-bonded Turntrans5343.2-178.6-150.823.7000113.7R340 Q344 P530 R531 Y564 L565 N570R340-N567 PolarHBondContact NH2-O 2.83Å; Q344-N567 HydrophobicContact CG-CB 3.8Å; Q344-N567 PolarHBondContact NE2-ND2 3.4Å; P530-N567 PolarHBondContact O-ND2 3.31Å; R531-N567 VanDerWaalsContact O-CB 3.32Å; R531-N567 WeakPolarHBondContact O-CB 3.45Å; Y564-N567 PolarHBondContact O-N 2.7Å; L565-N567 PolarHBondContact O-N 2.79Å; N567-N570 PolarHBondContact OD1-ND2 3.04Å
568W92.6Very high91.4Very high17 Ų1721.8 Ų21.86%0.06414%0.141CC..THydrogen-bonded Turntrans-72-46.1174.1-176.1-80.7000110.7G562 Y564 G566 V576 A577 I765 Y813G562-W568 WeakPolarHBondContact O-CB 3.25Å; Y564-W568 PolarHBondContact O-N 3.45Å; G566-W568 VanDerWaalsContact C-N 3.32Å; G566-W568 PolarHBondContact O-N 3.37Å; W568-V576 PolarHBondContact O-N 3.04Å; W568-A577 HydrophobicContact CB-CB 4.33Å; W568-A577 HydrophobicContact CD2-CB 3.29Å; W568-A577 HydrophobicContact CE3-CB 3.5Å; W568-A577 HydrophobicContact CG-CB 3.68Å; W568-A577 HydrophobicContact CH2-CB 4.19Å; W568-A577 HydrophobicContact CZ2-CB 4.02Å; W568-A577 HydrophobicContact CZ3-CB 3.95Å; W568-A577 PolarHBondContact O-N 3.25Å; W568-A577 VanDerWaalsContact O-N 3.09Å; W568-I765 PolarHBondContact NE1-O 2.82Å; W568-Y813 AromaticContact CH2-CE1 3.94Å; W568-Y813 HydrophobicContact CH2-CE1 3.94Å; W568-Y813 HydrophobicContact CZ2-CD1 4.49Å; W568-Y813 AromaticContact CZ2-CE1 3.78Å; W568-Y813 HydrophobicContact CZ2-CE1 3.78Å
569W93.6Very high91.1Very high21 Ų2128.5 Ų28.58%0.0817%0.172CC..EExtended strand (participates in β ladder)trans-136.8139.6174-174.599.8000109.3V522 V534 N563 Y564 P571 G574 R762 V763 W766V522-W569 HydrophobicContact CB-CZ3 4.19Å; V522-W569 HydrophobicContact CG1-CZ3 4.18Å; V534-W569 WeakPolarHBondContact CG2-O 3.36Å; N563-W569 VanDerWaalsContact O-CB 3.26Å; N563-W569 WeakPolarHBondContact O-CB 3.37Å; Y564-W569 HydrophobicContact CD1-CB 4.41Å; Y564-W569 HydrophobicContact CD1-CD2 4.42Å; Y564-W569 AromaticContact CD1-CE3 3.79Å; Y564-W569 HydrophobicContact CD1-CE3 3.79Å; Y564-W569 HydrophobicContact CE1-CD2 4.38Å; Y564-W569 AromaticContact CE1-CE3 3.93Å; Y564-W569 HydrophobicContact CE1-CE3 3.93Å; Y564-W569 HydrophobicContact CE1-CZ3 4.46Å; W569-P571 HydrophobicContact CZ3-CB 4.5Å; W569-P571 HydrophobicContact CZ3-CG 4.06Å; W569-G574 CarbonylContact C-O 3.35Å; W569-G574 VanDerWaalsContact CA-O 3.32Å; W569-G574 WeakPolarHBondContact CA-O 3.44Å; W569-G574 VanDerWaalsContact CD1-C 3.42Å; W569-R762 HydrophobicContact CH2-CG 4.16Å; W569-R762 HydrophobicContact CZ2-CB 4.24Å; W569-R762 HydrophobicContact CZ2-CG 3.9Å; W569-V763 PolarHBondContact NE1-O 3.2Å; W569-V763 VanDerWaalsContact NE1-O 3.12Å; W569-W766 HydrophobicContact CB-CH2 4.24Å; W569-W766 HydrophobicContact CB-CZ3 4.43Å; W569-W766 AromaticContact CD1-CH2 3.44Å; W569-W766 VanDerWaalsContact CD1-CH2 3.44Å; W569-W766 AromaticContact CD1-CZ2 3.86Å; W569-W766 HydrophobicContact CD2-CH2 4.1Å; W569-W766 AromaticContact CG-CH2 3.69Å; W569-W766 HydrophobicContact CG-CH2 3.69Å; W569-W766 HydrophobicContact CG-CZ3 4.32Å; W569-W766 AromaticContact NE1-CH2 3.75Å
570N88.8Confident91Very high10 Ų1030.4 Ų30.45%0.05318%0.18CC..EExtended strand (participates in β ladder)trans-140.3161.5171.675.359.3000113.2V534 N567 S572 A573 G574 V576V534-N570 HydrophobicContact CG2-CB 4.39Å; N567-N570 PolarHBondContact OD1-ND2 3.04Å; N570-S572 PolarHBondContact O-N 2.98Å; N570-S572 PolarHBondContact OD1-N 3.32Å; N570-A573 PolarHBondContact OD1-N 3.17Å; N570-G574 PolarHBondContact N-O 2.68Å; N570-G574 VanDerWaalsContact O-CA 3.28Å; N570-G574 WeakPolarHBondContact O-CA 3.22Å; N570-G574 PolarHBondContact O-N 2.85Å; N570-V576 WeakPolarHBondContact ND2-CG2 3.23Å
571P85.8Confident90.8Very high34 Ų3433.5 Ų33.522%0.22120%0.199CC..THydrogen-bonded Turntrans-66.5-20.8-172.5-23.436.4000115.2V522 P524 G533 W569V522-P571 HydrophobicContact CB-CG 4.33Å; V522-P571 WeakPolarHBondContact O-CB 3.45Å; V522-P571 WeakPolarHBondContact O-CG 3.49Å; P524-P571 HydrophobicContact CB-CB 4.4Å; P524-P571 HydrophobicContact CG-CB 3.82Å; G533-P571 VanDerWaalsContact O-CD 3.25Å; G533-P571 WeakPolarHBondContact O-CD 3.39Å; W569-P571 HydrophobicContact CZ3-CB 4.5Å; W569-P571 HydrophobicContact CZ3-CG 4.06Å
572S84Confident90.7Very high102 Ų10236.5 Ų36.571%0.71321%0.213SC*.THydrogen-bonded Turntrans-96.1-34.9-173.2-57.90000113N570N570-S572 PolarHBondContact O-N 2.98Å; N570-S572 PolarHBondContact OD1-N 3.32Å
573A85.9Confident90.6Very high72 Ų7239.3 Ų39.360%0.59523%0.227SC*.THydrogen-bonded Turntrans-111.7-9.7-176.900000113.6N570 V576N570-A573 PolarHBondContact OD1-N 3.17Å; A573-V576 HydrophobicContact CB-CG2 4.05Å
574G91.1Very high90.5Very high22 Ų2244.3 Ų44.323%0.22726%0.262CS..EExtended strand (participates in β ladder)trans70-139-170.400000111.4W569 N570 V576W569-G574 CarbonylContact C-O 3.35Å; W569-G574 VanDerWaalsContact CA-O 3.32Å; W569-G574 WeakPolarHBondContact CA-O 3.44Å; W569-G574 VanDerWaalsContact CD1-C 3.42Å; N570-G574 PolarHBondContact N-O 2.68Å; N570-G574 VanDerWaalsContact O-CA 3.28Å; N570-G574 WeakPolarHBondContact O-CA 3.22Å; N570-G574 PolarHBondContact O-N 2.85Å; G574-V576 PolarHBondContact O-N 3.37Å; G574-V576 VanDerWaalsContact O-N 3.15Å
575C92.6Very high90.5Very high19 Ų1945.7 Ų45.713%0.12827%0.269CS..EExtended strand (participates in β ladder)trans-78.694.4-178.9-174.60000112.2C578 G764C575-C578 HydrophobicContact CB-CB 3.76Å; C575-C578 WeakPolarHBondContact CB-SG 3.46Å; C575-C578 WeakPolarHBondContact O-CB 3.43Å; C575-C578 PolarHBondContact O-N 2.8Å; C575-C578 WeakPolarHBondContact SG-CB 3.41Å; C575-C578 PolarHBondContact SG-N 2.9Å; C575-C578 CovalentContact SG-SG 2.03Å; C575-C578 PolarHBondContact SG-SG 2.91Å; C575-G764 VanDerWaalsContact CB-CA 3.47Å
576V90.3Very high90.6Very high43 Ų4349.2 Ų49.226%0.26129%0.288SS..G310 helixtrans-63.4-46.5174.9-178.60000110.3W568 N570 A573 G574 C578 Q579W568-V576 PolarHBondContact O-N 3.04Å; N570-V576 WeakPolarHBondContact ND2-CG2 3.23Å; A573-V576 HydrophobicContact CB-CG2 4.05Å; G574-V576 PolarHBondContact O-N 3.37Å; G574-V576 VanDerWaalsContact O-N 3.15Å; V576-C578 PolarHBondContact O-N 3.21Å; V576-Q579 PolarHBondContact O-N 2.95Å
577A90.7Very high90.8Very high3 Ų358.9 Ų58.93%0.02533%0.333CS..G310 helixtrans-62.2-16-179.400000114.6W568 Q579 E580W568-A577 HydrophobicContact CB-CB 4.33Å; W568-A577 HydrophobicContact CD2-CB 3.29Å; W568-A577 HydrophobicContact CE3-CB 3.5Å; W568-A577 HydrophobicContact CG-CB 3.68Å; W568-A577 HydrophobicContact CH2-CB 4.19Å; W568-A577 HydrophobicContact CZ2-CB 4.02Å; W568-A577 HydrophobicContact CZ3-CB 3.95Å; W568-A577 PolarHBondContact O-N 3.25Å; W568-A577 VanDerWaalsContact O-N 3.09Å; A577-Q579 PolarHBondContact O-N 3.21Å; A577-E580 WeakPolarHBondContact CA-OE1 3.15Å; A577-E580 PolarHBondContact O-N 3.27Å
578C92.7Very high90.9Very high8 Ų861.3 Ų61.35%0.05435%0.347CS..G310 helixtrans-69.9-19.4-177-74.60000113.5C575 V576 Q582 G764 I765 T817C575-C578 HydrophobicContact CB-CB 3.76Å; C575-C578 WeakPolarHBondContact CB-SG 3.46Å; C575-C578 WeakPolarHBondContact O-CB 3.43Å; C575-C578 PolarHBondContact O-N 2.8Å; C575-C578 WeakPolarHBondContact SG-CB 3.41Å; C575-C578 PolarHBondContact SG-N 2.9Å; C575-C578 CovalentContact SG-SG 2.03Å; C575-C578 PolarHBondContact SG-SG 2.91Å; V576-C578 PolarHBondContact O-N 3.21Å; C578-Q582 PolarHBondContact O-NE2 2.78Å; C578-G764 VanDerWaalsContact SG-CA 3.58Å; C578-I765 HydrophobicContact CB-CD1 4.12Å; C578-I765 VanDerWaalsContact SG-CG1 3.53Å; C578-I765 PolarHBondContact SG-N 3.27Å; C578-T817 HydrophobicContact CB-CG2 4.47Å
579Q87.5Confident91Very high142 Ų14265.5 Ų65.566%0.66437%0.367SS*.G310 helixtrans-98.1-3.1176.5-52.8-59.1-9.100113.3V576 A577V576-Q579 PolarHBondContact O-N 2.95Å; A577-Q579 PolarHBondContact O-N 3.21Å
580E89.7Confident90.9Very high64 Ų6471.7 Ų71.730%0.29940%0.396SS..THydrogen-bonded Turntrans-88.5146.1179.7-63.8168.9-142.500111.3R340 A577 Q582R340-E580 WeakPolarHBondContact CD-OE2 3.24Å; R340-E580 IonicContact CZ-OE1 3.38Å; R340-E580 IonicContact CZ-OE2 3.04Å; R340-E580 IonicContact NE-OE1 2.98Å; R340-E580 PolarHBondContact NE-OE1 2.78Å; R340-E580 IonicContact NE-OE2 3.64Å; R340-E580 PolarHBondContact NE-OE2 2.9Å; R340-E580 IonicContact NH2-OE1 3.75Å; R340-E580 PolarHBondContact NH2-OE1 2.92Å; R340-E580 IonicContact NH2-OE2 3.54Å; A577-E580 WeakPolarHBondContact CA-OE1 3.15Å; A577-E580 PolarHBondContact O-N 3.27Å; E580-Q582 PolarHBondContact O-N 2.9Å; E580-Q582 VanDerWaalsContact O-N 3.15Å
581D88.5Confident91.2Very high111 Ų11176.9 Ų76.959%0.59442%0.419SS*.THydrogen-bonded Turntrans54.331.2174.9-171.537.4000114.1N720D581-N720 VanDerWaalsContact CG-ND2 3.31Å; D581-N720 WeakPolarHBondContact O-CB 3.32Å; D581-N720 PolarHBondContact O-ND2 2.83Å; D581-N720 VanDerWaalsContact O-ND2 3.12Å; D581-N720 PolarHBondContact OD1-ND2 3.08Å; D581-N720 PolarHBondContact OD2-ND2 3.35Å
582Q91.8Very high91.7Very high76 Ų7676.3 Ų76.336%0.35541%0.412SS..PPolyproline II helixtrans-72.7140175.3-71.2-170.95.300111.8C578 E580 K718 R719C578-Q582 PolarHBondContact O-NE2 2.78Å; E580-Q582 PolarHBondContact O-N 2.9Å; E580-Q582 VanDerWaalsContact O-N 3.15Å; Q582-K718 VanDerWaalsContact CA-O 3.27Å; Q582-K718 WeakPolarHBondContact CA-O 3.41Å; Q582-K718 WeakPolarHBondContact CB-O 3.3Å; Q582-R719 VanDerWaalsContact NE2-NH1 3.18Å
583L93.7Very high92.4Very high63 Ų6372.8 Ų72.833%0.3339%0.387SS..PPolyproline II helixtrans-82.8135.2168.8-76170000110.4Y697 K718 N720L583-Y697 WeakPolarHBondContact CD1-OH 3.24Å; L583-K718 PolarHBondContact N-O 2.94Å; L583-K718 WeakPolarHBondContact O-CG 3.43Å; L583-N720 HydrophobicContact CD1-CB 4.03Å; L583-N720 WeakPolarHBondContact CD1-OD1 3.35Å; L583-N720 HydrophobicContact CG-CB 3.84Å
584S93Very high92.9Very high111 Ų11170.9 Ų70.978%0.77637%0.365SS*.PPolyproline II helixtrans-81.2144.415949.50000110.2
585L94.1Very high93.3Very high30 Ų3069.9 Ų69.916%0.15736%0.355CS..PPolyproline II helixtrans-88.2147.7162.4-65.7176.5000108.2W592 P593 Q714 I717 K718L585-W592 HydrophobicContact CB-CD2 4.49Å; L585-W592 HydrophobicContact CB-CZ2 4.23Å; L585-W592 HydrophobicContact CD1-CD2 4.07Å; L585-W592 HydrophobicContact CD1-CE3 4.06Å; L585-W592 HydrophobicContact CD1-CH2 3.93Å; L585-W592 HydrophobicContact CD1-CZ2 3.91Å; L585-W592 HydrophobicContact CD1-CZ3 4Å; L585-P593 HydrophobicContact CD2-CG 4.44Å; L585-Q714 HydrophobicContact CD1-CB 3.94Å; L585-Q714 HydrophobicContact CD1-CG 4.09Å; L585-I717 HydrophobicContact CD2-CG2 3.92Å; L585-K718 HydrophobicContact CG-CG 4.43Å
586D95.1Very high93.5Very high77 Ų7769 Ų6941%0.41235%0.348SS..PPolyproline II helixtrans-65155.1174.9-158.3-71.9000110.2D588 K591 W592D586-D588 PolarHBondContact O-N 3.12Å; D586-D588 VanDerWaalsContact OD1-CB 3.27Å; D586-D588 WeakPolarHBondContact OD1-CB 3.24Å; D586-D588 PolarHBondContact OD1-N 3Å; D586-K591 HydrophobicContact CB-CB 4.18Å; D586-K591 IonicContact OD1-NZ 3.64Å; D586-K591 PolarHBondContact OD1-NZ 3.07Å; D586-K591 WeakPolarHBondContact OD2-CD 3.44Å; D586-K591 IonicContact OD2-NZ 2.62Å; D586-W592 PolarHBondContact O-NE1 3.15Å
587E93.3Very high93.8Very high202 Ų20266.9 Ų66.994%0.94434%0.336SS*.SBendtrans-67.2-26.1172.4-63.6-176.4165.600111.2
588D95.1Very high94.1Very high61 Ų6166.8 Ų66.833%0.32634%0.335SS..SBendtrans-87.9108.6175.1-177.6-3.3000111.6D586 E590 K591 W592D586-D588 PolarHBondContact O-N 3.12Å; D586-D588 VanDerWaalsContact OD1-CB 3.27Å; D586-D588 WeakPolarHBondContact OD1-CB 3.24Å; D586-D588 PolarHBondContact OD1-N 3Å; D588-E590 PolarHBondContact O-N 3.27Å; D588-E590 WeakPolarHBondContact OD1-CB 3.27Å; D588-E590 PolarHBondContact OD1-N 2.79Å; D588-K591 HydrophobicContact CB-CD 4.24Å; D588-K591 HydrophobicContact CB-CG 4.17Å; D588-K591 PolarHBondContact O-N 3.01Å; D588-K591 VanDerWaalsContact O-N 3.11Å; D588-K591 WeakPolarHBondContact OD2-CE 3.08Å; D588-K591 IonicContact OD2-NZ 2.95Å; D588-K591 PolarHBondContact OD2-NZ 2.96Å; D588-W592 VanDerWaalsContact O-CD1 3.28Å
589E93.5Very high94.3Very high105 Ų10566.4 Ų66.449%0.49133%0.332SS..G310 helixtrans-58.4-24.9177.7-80.1-170.1-178.900113.9K591 W592 P621E589-K591 VanDerWaalsContact C-N 3.25Å; E589-K591 PolarHBondContact O-N 2.81Å; E589-W592 HydrophobicContact CG-CD2 4.35Å; E589-W592 HydrophobicContact CG-CH2 4.39Å; E589-W592 HydrophobicContact CG-CZ2 3.96Å; E589-W592 WeakPolarHBondContact O-CB 3.29Å; E589-W592 PolarHBondContact O-N 3.43Å; E589-P621 HydrophobicContact CB-CG 3.63Å; E589-P621 HydrophobicContact CG-CG 3.87Å
590E91.9Very high94.6Very high150 Ų15059.6 Ų59.670%0.70130%0.301SS*.G310 helixtrans-70.1-24.9177.9-61.4-163.416400112.6D588 R624D588-E590 PolarHBondContact O-N 3.27Å; D588-E590 WeakPolarHBondContact OD1-CB 3.27Å; D588-E590 PolarHBondContact OD1-N 2.79Å; E590-R624 WeakPolarHBondContact O-CD 3.25Å; E590-R624 PolarHBondContact O-NE 2.71Å; E590-R624 PolarHBondContact O-NH1 2.84Å
591K94.8Very high94.8Very high120 Ų12056.6 Ų56.652%0.52229%0.286SS..G310 helixtrans-85.9-6177.3-58.2-174.3-156109.40113.5D586 D588 E589D586-K591 HydrophobicContact CB-CB 4.18Å; D586-K591 IonicContact OD1-NZ 3.64Å; D586-K591 PolarHBondContact OD1-NZ 3.07Å; D586-K591 WeakPolarHBondContact OD2-CD 3.44Å; D586-K591 IonicContact OD2-NZ 2.62Å; D588-K591 HydrophobicContact CB-CD 4.24Å; D588-K591 HydrophobicContact CB-CG 4.17Å; D588-K591 PolarHBondContact O-N 3.01Å; D588-K591 VanDerWaalsContact O-N 3.11Å; D588-K591 WeakPolarHBondContact OD2-CE 3.08Å; D588-K591 IonicContact OD2-NZ 2.95Å; D588-K591 PolarHBondContact OD2-NZ 2.96Å; E589-K591 VanDerWaalsContact C-N 3.25Å; E589-K591 PolarHBondContact O-N 2.81Å
592W97.2Very high94.8Very high21 Ų2152.4 Ų52.48%0.0827%0.265CS..SBendtrans-60.9147.7-178.5-76.222.4000111.6L585 D586 D588 E589 Y620 P621 R624 Q714L585-W592 HydrophobicContact CB-CD2 4.49Å; L585-W592 HydrophobicContact CB-CZ2 4.23Å; L585-W592 HydrophobicContact CD1-CD2 4.07Å; L585-W592 HydrophobicContact CD1-CE3 4.06Å; L585-W592 HydrophobicContact CD1-CH2 3.93Å; L585-W592 HydrophobicContact CD1-CZ2 3.91Å; L585-W592 HydrophobicContact CD1-CZ3 4Å; D586-W592 PolarHBondContact O-NE1 3.15Å; D588-W592 VanDerWaalsContact O-CD1 3.28Å; E589-W592 HydrophobicContact CG-CD2 4.35Å; E589-W592 HydrophobicContact CG-CH2 4.39Å; E589-W592 HydrophobicContact CG-CZ2 3.96Å; E589-W592 WeakPolarHBondContact O-CB 3.29Å; E589-W592 PolarHBondContact O-N 3.43Å; W592-Y620 HydrophobicContact CD2-CE2 4.47Å; W592-Y620 AromaticContact CE3-CD2 3.66Å; W592-Y620 HydrophobicContact CE3-CD2 3.66Å; W592-Y620 HydrophobicContact CE3-CE1 4.39Å; W592-Y620 AromaticContact CE3-CE2 3.41Å; W592-Y620 HydrophobicContact CE3-CE2 3.41Å; W592-Y620 VanDerWaalsContact CE3-CE2 3.41Å; W592-Y620 HydrophobicContact CE3-CG 4.26Å; W592-Y620 AromaticContact CE3-CZ 3.82Å; W592-Y620 AromaticContact CZ3-CD2 3.72Å; W592-Y620 HydrophobicContact CZ3-CD2 3.72Å; W592-Y620 AromaticContact CZ3-CE2 3.88Å; W592-Y620 HydrophobicContact CZ3-CE2 3.88Å; W592-Y620 HydrophobicContact CZ3-CG 4.38Å; W592-P621 HydrophobicContact CD2-CG 4.36Å; W592-P621 HydrophobicContact CE3-CG 3.95Å; W592-P621 HydrophobicContact CZ3-CG 4.4Å; W592-R624 PolarHBondContact O-NE 2.68Å; W592-R624 PolarHBondContact O-NH2 3.1Å; W592-Q714 HydrophobicContact CH2-CG 4.1Å; W592-Q714 HydrophobicContact CZ3-CG 3.82Å
593P97.5Very high94.7Very high29 Ų2952.8 Ų52.819%0.18827%0.266CS..PPolyproline II helixtrans-50.2141.5-178.3-29.435.6000113.6L585 V595 Y620 D696 Y697 I717L585-P593 HydrophobicContact CD2-CG 4.44Å; P593-V595 PolarHBondContact O-N 3.22Å; P593-Y620 WeakPolarHBondContact CD-OH 3.5Å; P593-Y620 PolarHBondContact O-OH 3.15Å; P593-D696 HydrophobicContact CB-CB 3.76Å; P593-Y697 HydrophobicContact CB-CD2 3.75Å; P593-Y697 HydrophobicContact CB-CE2 3.65Å; P593-Y697 HydrophobicContact CG-CE2 3.97Å; P593-I717 HydrophobicContact CG-CG2 4.34Å
594F97.6Very high94.5Very high32 Ų3252 Ų5214%0.1426%0.264CS..PPolyproline II helixtrans-79.2123.5176.4-172-100.2000110.9V596 R624 A652 F653 C695 D696 Y697F594-V596 HydrophobicContact CE1-CG2 3.97Å; F594-R624 VanDerWaalsContact CD2-O 3.31Å; F594-R624 WeakPolarHBondContact CD2-O 2.95Å; F594-A652 HydrophobicContact CE2-CB 3.92Å; F594-A652 HydrophobicContact CZ-CB 4.27Å; F594-F653 AromaticContact CE1-CE1 3.96Å; F594-F653 HydrophobicContact CE1-CE1 3.96Å; F594-F653 HydrophobicContact CE1-CZ 4.19Å; F594-F653 HydrophobicContact CZ-CD1 4.4Å; F594-F653 AromaticContact CZ-CE1 3.56Å; F594-F653 HydrophobicContact CZ-CE1 3.56Å; F594-F653 HydrophobicContact CZ-CZ 4.09Å; F594-C695 HydrophobicContact CD1-CB 4.14Å; F594-D696 PolarHBondContact N-OD2 2.67Å; F594-D696 PolarHBondContact O-N 2.86Å; F594-Y697 PolarHBondContact O-N 2.9Å
595V98.1Very high94.5Very high0 Ų046.9 Ų46.90%023%0.228CC..EExtended strand (participates in β ladder)trans-113.9132.4-175.3-172.90000110.7P593 Y620 R624 M625 G626 Y697 L699 L713 I717P593-V595 PolarHBondContact O-N 3.22Å; V595-Y620 HydrophobicContact CG2-CE1 3.9Å; V595-R624 PolarHBondContact N-O 2.97Å; V595-M625 CarbonylContact O-C 3.59Å; V595-M625 VanDerWaalsContact O-CA 3.31Å; V595-M625 WeakPolarHBondContact O-CA 3.43Å; V595-G626 PolarHBondContact O-N 2.79Å; V595-Y697 WeakPolarHBondContact CA-O 3.43Å; V595-L699 HydrophobicContact CG1-CB 4.06Å; V595-L713 HydrophobicContact CB-CD2 4.45Å; V595-L713 HydrophobicContact CG1-CD1 4.25Å; V595-L713 HydrophobicContact CG1-CD2 4.17Å; V595-L713 HydrophobicContact CG2-CD1 4.48Å; V595-L713 HydrophobicContact CG2-CD2 4.25Å; V595-I717 HydrophobicContact CG2-CD1 4.12Å
596V97.5Very high94.5Very high0 Ų045.4 Ų45.40%022%0.221CC..EExtended strand (participates in β ladder)trans-98.6123.3162.6-179.10000108.7F594 G626 F653 C690 C695 Y697 L698 L699F594-V596 HydrophobicContact CE1-CG2 3.97Å; V596-G626 CarbonylContact C-O 3.57Å; V596-G626 WeakPolarHBondContact CA-O 3.15Å; V596-F653 HydrophobicContact CG2-CZ 4.18Å; V596-C690 HydrophobicContact CB-CB 4.27Å; V596-C690 VanDerWaalsContact CB-SG 3.55Å; V596-C690 HydrophobicContact CG2-CB 4.19Å; V596-C690 VanDerWaalsContact CG2-SG 3.58Å; V596-C695 HydrophobicContact CG2-CB 3.95Å; V596-Y697 PolarHBondContact N-O 3.31Å; V596-L698 HydrophobicContact CB-CD1 4.26Å; V596-L698 HydrophobicContact CG1-CD1 4.26Å; V596-L698 CarbonylContact O-C 3.54Å; V596-L698 WeakPolarHBondContact O-CA 3.47Å; V596-L699 PolarHBondContact O-N 3.35Å
597L97.6Very high94.6Very high0 Ų041.8 Ų41.80%020%0.201CC..EExtended strand (participates in β ladder)trans-93.4113.8171.7-174.3164.1000108.4L615 L618 M625 G626 I627 Y628 L699 W701L597-L615 HydrophobicContact CD1-CD2 4.32Å; L597-L615 HydrophobicContact CD2-CD1 4.21Å; L597-L615 HydrophobicContact CD2-CD2 4.33Å; L597-L618 HydrophobicContact CD1-CD1 3.85Å; L597-M625 HydrophobicContact CB-CE 4.15Å; L597-M625 HydrophobicContact CD1-CE 3.84Å; L597-G626 PolarHBondContact N-O 2.83Å; L597-I627 HydrophobicContact CB-CG1 4.37Å; L597-I627 CarbonylContact O-C 3.59Å; L597-I627 WeakPolarHBondContact O-CA 3.43Å; L597-Y628 PolarHBondContact O-N 2.86Å; L597-L699 CarbonylContact C-O 3.5Å; L597-L699 WeakPolarHBondContact CA-O 3.26Å; L597-L699 HydrophobicContact CD1-CD2 4.11Å; L597-L699 HydrophobicContact CG-CD2 4.11Å; L597-W701 HydrophobicContact CD1-CE3 4.24Å
598A96.9Very high94.6Very high0 Ų032.2 Ų32.20%016%0.157CC..EExtended strand (participates in β ladder)trans-97.6103.4175.600000110F600 Y628 A686 L698 L699 W701A598-F600 HydrophobicContact CB-CD2 4.41Å; A598-F600 HydrophobicContact CB-CE2 3.5Å; A598-F600 VanDerWaalsContact CB-CE2 3.5Å; A598-F600 HydrophobicContact CB-CZ 3.92Å; A598-F600 WeakPolarHBondContact O-CD2 3.26Å; A598-F600 WeakPolarHBondContact O-CE2 3.49Å; A598-Y628 CarbonylContact C-O 3.49Å; A598-Y628 WeakPolarHBondContact CA-O 3.41Å; A598-Y628 HydrophobicContact CB-CD1 4.33Å; A598-A686 HydrophobicContact CB-CB 3.81Å; A598-L698 HydrophobicContact CB-CD1 3.9Å; A598-L699 PolarHBondContact N-O 2.82Å; A598-W701 PolarHBondContact O-N 3.31Å
599S95.6Very high94.6Very high0 Ų031.5 Ų31.50%015%0.153CC..EExtended strand (participates in β ladder)trans-89.3125.3-179.5174.80000110.4Y611 Y628 Y630 W701S599-Y611 WeakPolarHBondContact CB-OH 3.42Å; S599-Y611 WeakPolarHBondContact OG-CE1 3.41Å; S599-Y611 PolarHBondContact OG-OH 2.86Å; S599-Y628 PolarHBondContact N-O 3.31Å; S599-Y630 PolarHBondContact O-N 2.71Å; S599-W701 WeakPolarHBondContact CA-O 3.25Å
600F94.5Very high94.6Very high0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-124.6114.1-177.1-67.2-77.2000112.2A598 T602 Y628 Y630 A682 R683 A686 V700 W701 D702 A703A598-F600 HydrophobicContact CB-CD2 4.41Å; A598-F600 HydrophobicContact CB-CE2 3.5Å; A598-F600 VanDerWaalsContact CB-CE2 3.5Å; A598-F600 HydrophobicContact CB-CZ 3.92Å; A598-F600 WeakPolarHBondContact O-CD2 3.26Å; A598-F600 WeakPolarHBondContact O-CE2 3.49Å; F600-T602 HydrophobicContact CB-CG2 4.1Å; F600-Y628 HydrophobicContact CE1-CE1 4.15Å; F600-Y628 HydrophobicContact CZ-CD1 4.43Å; F600-Y628 HydrophobicContact CZ-CE1 4.29Å; F600-Y630 AromaticContact CD1-CD1 3.95Å; F600-Y630 HydrophobicContact CD1-CD1 3.95Å; F600-Y630 HydrophobicContact CD1-CG 4.16Å; F600-A682 HydrophobicContact CE1-CB 4.15Å; F600-R683 HydrophobicContact CD1-CG 3.95Å; F600-R683 HydrophobicContact CE1-CB 4.26Å; F600-R683 HydrophobicContact CE1-CG 3.56Å; F600-R683 HydrophobicContact CE2-CG 4.2Å; F600-R683 HydrophobicContact CG-CG 4.46Å; F600-R683 HydrophobicContact CZ-CB 4.18Å; F600-R683 HydrophobicContact CZ-CG 3.71Å; F600-A686 HydrophobicContact CZ-CB 3.81Å; F600-V700 HydrophobicContact CD2-CG1 3.95Å; F600-V700 HydrophobicContact CE2-CG1 3.92Å; F600-W701 PolarHBondContact N-O 2.9Å; F600-W701 VanDerWaalsContact N-O 3.12Å; F600-D702 WeakPolarHBondContact O-CA 3.07Å; F600-A703 PolarHBondContact O-N 2.96Å
601I93Very high94.9Very high0 Ų019.8 Ų19.80%010%0.098CC..EExtended strand (participates in β ladder)trans-108.182169.4-46.3166.5000107.8V608 Y611 F612 Y630 G632 V633 Y636 V640 A703I601-V608 HydrophobicContact CD1-CG1 4.13Å; I601-Y611 HydrophobicContact CG1-CE1 4.45Å; I601-F612 HydrophobicContact CD1-CE1 4.25Å; I601-F612 HydrophobicContact CD1-CZ 3.66Å; I601-Y630 PolarHBondContact N-O 2.62Å; I601-G632 PolarHBondContact O-N 3.48Å; I601-V633 HydrophobicContact CG2-CG2 4.27Å; I601-Y636 HydrophobicContact CG2-CD2 3.57Å; I601-Y636 HydrophobicContact CG2-CE2 3.91Å; I601-V640 HydrophobicContact CD1-CG2 3.83Å; I601-A703 HydrophobicContact CB-CB 4.16Å; I601-A703 HydrophobicContact CG1-CB 3.88Å; I601-A703 HydrophobicContact CG2-CB 4.01Å
602T89Confident94.9Very high24 Ų2414.6 Ų14.615%0.1478%0.076CC..  trans-89.1-24.3-170.751.50000113.7F600 Y630 E679F600-T602 HydrophobicContact CB-CG2 4.1Å; T602-Y630 HydrophobicContact CG2-CD1 4.14Å; T602-Y630 HydrophobicContact CG2-CE1 3.91Å; T602-E679 HydrophobicContact CG2-CB 4.17Å; T602-E679 VanDerWaalsContact CG2-CD 3.41Å; T602-E679 HydrophobicContact CG2-CG 3.56Å
603K88.9Confident94.9Very high84 Ų8418.1 Ų18.137%0.3659%0.093SC..SBendtrans-144.7158.3-17956.5171.8175.3166.10111S605 D826K603-S605 PolarHBondContact O-N 2.86Å; K603-S605 PolarHBondContact O-OG 3.18Å; K603-D826 WeakPolarHBondContact CE-OD2 3.41Å; K603-D826 IonicContact NZ-OD1 3.03Å; K603-D826 PolarHBondContact NZ-OD1 3.1Å; K603-D826 IonicContact NZ-OD2 2.7Å; K603-D826 PolarHBondContact NZ-OD2 3.33Å
604P91.1Very high94.8Very high47 Ų4717 Ų1731%0.3059%0.085SC..  trans-46.4125.9170.8-29.937.6000110.9V633 Y829P604-V633 HydrophobicContact CG-CG1 4.39Å; P604-Y829 HydrophobicContact CB-CD1 3.8Å; P604-Y829 HydrophobicContact CB-CE1 4.47Å; P604-Y829 WeakPolarHBondContact CB-O 3.49Å
605S92.7Very high94.7Very high2 Ų215.4 Ų15.41%0.0148%0.079CC..  trans-138.8136.2-173.2-61.80000109.5K603 V608 Y636K603-S605 PolarHBondContact O-N 2.86Å; K603-S605 PolarHBondContact O-OG 3.18Å; S605-V608 WeakPolarHBondContact O-CG2 3.05Å; S605-Y636 PolarHBondContact N-OH 3.13Å; S605-Y636 PolarHBondContact O-OH 2.99Å
606P94.6Very high94.6Very high0 Ų018.2 Ų18.20%09%0.093CC..SBendtrans-68.7148.9178.226.4-32.4000112.1R706 L824 Y829 D837P606-R706 PolarHBondContact O-NH2 3.13Å; P606-L824 HydrophobicContact CG-CB 4.19Å; P606-L824 HydrophobicContact CG-CD1 4.03Å; P606-Y829 VanDerWaalsContact CA-CE2 3.49Å; P606-Y829 HydrophobicContact CB-CD2 3.62Å; P606-Y829 HydrophobicContact CB-CE2 3.58Å; P606-Y829 HydrophobicContact CB-CG 4.48Å; P606-Y829 HydrophobicContact CG-CD2 4.19Å; P606-D837 WeakPolarHBondContact CA-OD1 3.48Å
607F95.4Very high94.5Very high0 Ų020.6 Ų20.60%011%0.11CC..  trans54.154.1172-45.4-71000114.7D609 L610 Y611 R706 L824 D837 N840 N844 E847 W848 K851 Y852F607-D609 VanDerWaalsContact C-N 3.31Å; F607-D609 WeakPolarHBondContact CA-OD1 3.42Å; F607-L610 HydrophobicContact CB-CB 4.08Å; F607-L610 HydrophobicContact CB-CD1 4.07Å; F607-L610 HydrophobicContact CB-CG 4.14Å; F607-L610 HydrophobicContact CD1-CD1 4.49Å; F607-L610 HydrophobicContact CG-CD1 4.39Å; F607-L610 PolarHBondContact O-N 2.78Å; F607-Y611 PolarHBondContact O-N 3Å; F607-Y611 VanDerWaalsContact O-N 3.07Å; F607-R706 PolarHBondContact O-NH2 3.3Å; F607-L824 HydrophobicContact CD2-CD1 4.41Å; F607-D837 HydrophobicContact CD1-CB 4.03Å; F607-D837 VanDerWaalsContact CD1-CG 3.48Å; F607-D837 HydrophobicContact CE1-CB 3.72Å; F607-D837 HydrophobicContact CZ-CB 4.44Å; F607-D837 PolarHBondContact N-OD1 3.12Å; F607-N840 HydrophobicContact CE2-CB 4.01Å; F607-N840 HydrophobicContact CZ-CB 3.89Å; F607-N844 HydrophobicContact CE2-CB 3.82Å; F607-E847 HydrophobicContact CB-CB 4.47Å; F607-E847 HydrophobicContact CD2-CB 3.32Å; F607-E847 HydrophobicContact CD2-CG 4.12Å; F607-E847 HydrophobicContact CE2-CB 3.57Å; F607-E847 HydrophobicContact CG-CB 3.89Å; F607-E847 HydrophobicContact CZ-CB 4.32Å; F607-W848 HydrophobicContact CZ-CB 3.93Å; F607-K851 HydrophobicContact CD1-CB 4.35Å; F607-K851 HydrophobicContact CD1-CD 3.63Å; F607-K851 HydrophobicContact CE1-CB 4.4Å; F607-K851 HydrophobicContact CE1-CD 3.99Å; F607-Y852 HydrophobicContact CE1-CD2 4.46Å; F607-Y852 AromaticContact CE1-CE2 3.96Å; F607-Y852 HydrophobicContact CE1-CE2 3.96Å
608V94.7Very high94.5Very high2 Ų221 Ų211%0.01211%0.112CC..Hα-helixtrans-70.6-26.3178.41710000112.6I601 S605 Y611 F612 Y636 L639I601-V608 HydrophobicContact CD1-CG1 4.13Å; S605-V608 WeakPolarHBondContact O-CG2 3.05Å; V608-Y611 WeakPolarHBondContact O-CB 3.21Å; V608-Y611 PolarHBondContact O-N 2.88Å; V608-F612 HydrophobicContact CG1-CD2 4.04Å; V608-F612 HydrophobicContact CG1-CE2 3.57Å; V608-F612 HydrophobicContact CG1-CZ 4.09Å; V608-F612 WeakPolarHBondContact O-CD2 3.23Å; V608-F612 PolarHBondContact O-N 2.71Å; V608-F612 VanDerWaalsContact O-N 3.11Å; V608-Y636 HydrophobicContact CB-CD1 4.09Å; V608-Y636 HydrophobicContact CB-CE1 4.12Å; V608-Y636 HydrophobicContact CB-CG 4.43Å; V608-Y636 HydrophobicContact CG1-CD1 4.26Å; V608-Y636 HydrophobicContact CG1-CG 4.19Å; V608-Y636 HydrophobicContact CG2-CD1 4.07Å; V608-Y636 HydrophobicContact CG2-CD2 4.12Å; V608-Y636 HydrophobicContact CG2-CE1 3.77Å; V608-Y636 HydrophobicContact CG2-CE2 3.86Å; V608-Y636 HydrophobicContact CG2-CG 4.24Å; V608-L639 HydrophobicContact CB-CD1 4.33Å; V608-L639 HydrophobicContact CG1-CD1 4.3Å
609D93.5Very high94.5Very high46 Ų4624 Ų2425%0.24613%0.133CC..Hα-helixtrans-60.5-50.2167.151.4-8.8000111.7F607 Y611 F612 E613 K851F607-D609 VanDerWaalsContact C-N 3.31Å; F607-D609 WeakPolarHBondContact CA-OD1 3.42Å; D609-Y611 VanDerWaalsContact C-N 3.27Å; D609-Y611 PolarHBondContact O-N 2.91Å; D609-F612 PolarHBondContact O-N 3.5Å; D609-F612 VanDerWaalsContact O-N 3.13Å; D609-E613 PolarHBondContact O-N 3.37Å; D609-K851 IonicContact OD1-NZ 3.33Å; D609-K851 PolarHBondContact OD1-NZ 3.21Å; D609-K851 WeakPolarHBondContact OD2-CE 3.46Å; D609-K851 IonicContact OD2-NZ 3.67Å; D609-K851 PolarHBondContact OD2-NZ 2.75Å
610L95.3Very high94.5Very high8 Ų824.5 Ų24.54%0.04214%0.135CC..Hα-helixtrans-64.7-30.1175.5-62.7-170.3000112.7F607 N614 E847 R850 K851F607-L610 HydrophobicContact CB-CB 4.08Å; F607-L610 HydrophobicContact CB-CD1 4.07Å; F607-L610 HydrophobicContact CB-CG 4.14Å; F607-L610 HydrophobicContact CD1-CD1 4.49Å; F607-L610 HydrophobicContact CG-CD1 4.39Å; F607-L610 PolarHBondContact O-N 2.78Å; L610-N614 WeakPolarHBondContact O-CB 3.45Å; L610-N614 PolarHBondContact O-N 2.91Å; L610-E847 HydrophobicContact CD1-CB 4.3Å; L610-E847 WeakPolarHBondContact CD1-O 3.47Å; L610-R850 HydrophobicContact CD1-CB 4.22Å; L610-R850 HydrophobicContact CD1-CG 4.08Å; L610-R850 HydrophobicContact CD2-CG 4.33Å; L610-K851 HydrophobicContact CD1-CB 4.16Å
611Y96.5Very high94.6Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-60.9-47.8170.7169.6-111.1000111.4S599 I601 F607 V608 D609 N614 L615 W701 A703S599-Y611 WeakPolarHBondContact CB-OH 3.42Å; S599-Y611 WeakPolarHBondContact OG-CE1 3.41Å; S599-Y611 PolarHBondContact OG-OH 2.86Å; I601-Y611 HydrophobicContact CG1-CE1 4.45Å; F607-Y611 PolarHBondContact O-N 3Å; F607-Y611 VanDerWaalsContact O-N 3.07Å; V608-Y611 WeakPolarHBondContact O-CB 3.21Å; V608-Y611 PolarHBondContact O-N 2.88Å; D609-Y611 VanDerWaalsContact C-N 3.27Å; D609-Y611 PolarHBondContact O-N 2.91Å; Y611-N614 WeakPolarHBondContact O-CA 3.28Å; Y611-N614 VanDerWaalsContact O-CB 3.28Å; Y611-N614 WeakPolarHBondContact O-CB 3.19Å; Y611-N614 PolarHBondContact O-N 3.11Å; Y611-L615 HydrophobicContact CD2-CD2 4.39Å; Y611-L615 HydrophobicContact CE1-CD1 3.9Å; Y611-L615 HydrophobicContact CE1-CG 4.35Å; Y611-L615 HydrophobicContact CE2-CD2 3.83Å; Y611-L615 HydrophobicContact CE2-CG 4.34Å; Y611-L615 WeakPolarHBondContact O-CG 3.35Å; Y611-L615 PolarHBondContact O-N 2.9Å; Y611-W701 AromaticContact CE2-CD1 3.69Å; Y611-W701 HydrophobicContact CE2-CD2 4.4Å; Y611-W701 HydrophobicContact CE2-CG 4.16Å; Y611-W701 AromaticContact CE2-NE1 3.59Å; Y611-W701 PolarHBondContact OH-O 2.9Å; Y611-A703 HydrophobicContact CD1-CB 4.49Å; Y611-A703 HydrophobicContact CE1-CB 4.44Å
612F96.3Very high94.8Very high12 Ų1227 Ų275%0.05315%0.147CC..Hα-helixtrans-65.3-40.8178.6-71.7-43.5000112.9I601 V608 D609 N614 L615 L616 L629 L639 V640 F643I601-F612 HydrophobicContact CD1-CE1 4.25Å; I601-F612 HydrophobicContact CD1-CZ 3.66Å; V608-F612 HydrophobicContact CG1-CD2 4.04Å; V608-F612 HydrophobicContact CG1-CE2 3.57Å; V608-F612 HydrophobicContact CG1-CZ 4.09Å; V608-F612 WeakPolarHBondContact O-CD2 3.23Å; V608-F612 PolarHBondContact O-N 2.71Å; V608-F612 VanDerWaalsContact O-N 3.11Å; D609-F612 PolarHBondContact O-N 3.5Å; D609-F612 VanDerWaalsContact O-N 3.13Å; F612-N614 PolarHBondContact O-N 3.26Å; F612-L615 HydrophobicContact CD1-CD1 4.2Å; F612-L615 PolarHBondContact O-N 2.98Å; F612-L616 WeakPolarHBondContact O-CG 3.4Å; F612-L616 PolarHBondContact O-N 3.48Å; F612-L616 VanDerWaalsContact O-N 3.09Å; F612-L629 HydrophobicContact CE1-CD1 4.09Å; F612-L639 HydrophobicContact CD2-CB 4.3Å; F612-L639 HydrophobicContact CE2-CB 3.86Å; F612-V640 HydrophobicContact CE2-CG2 4.34Å; F612-V640 HydrophobicContact CZ-CB 4.49Å; F612-V640 HydrophobicContact CZ-CG2 3.82Å; F612-F643 HydrophobicContact CB-CB 4.15Å; F612-F643 HydrophobicContact CB-CD2 3.56Å; F612-F643 HydrophobicContact CB-CE2 4.19Å; F612-F643 HydrophobicContact CB-CG 4Å; F612-F643 HydrophobicContact CD1-CB 3.79Å; F612-F643 AromaticContact CD1-CD1 3.57Å; F612-F643 HydrophobicContact CD1-CD1 3.57Å; F612-F643 AromaticContact CD1-CD2 3.57Å; F612-F643 HydrophobicContact CD1-CD2 3.57Å; F612-F643 AromaticContact CD1-CE1 4Å; F612-F643 HydrophobicContact CD1-CE1 4Å; F612-F643 AromaticContact CD1-CE2 3.96Å; F612-F643 HydrophobicContact CD1-CE2 3.96Å; F612-F643 AromaticContact CD1-CG 3.32Å; F612-F643 HydrophobicContact CD1-CG 3.32Å; F612-F643 HydrophobicContact CD1-CZ 4.16Å; F612-F643 HydrophobicContact CD2-CB 3.83Å; F612-F643 HydrophobicContact CD2-CG 4.29Å; F612-F643 HydrophobicContact CE1-CB 4.08Å; F612-F643 AromaticContact CE1-CD1 3.63Å; F612-F643 HydrophobicContact CE1-CD1 3.63Å; F612-F643 HydrophobicContact CE1-CD2 4.44Å; F612-F643 HydrophobicContact CE1-CE1 4.16Å; F612-F643 AromaticContact CE1-CG 3.78Å; F612-F643 HydrophobicContact CE1-CG 3.78Å; F612-F643 HydrophobicContact CE2-CB 4.1Å; F612-F643 HydrophobicContact CG-CB 3.67Å; F612-F643 HydrophobicContact CG-CD1 4.32Å; F612-F643 AromaticContact CG-CD2 3.72Å; F612-F643 HydrophobicContact CG-CD2 3.72Å; F612-F643 HydrophobicContact CG-CE2 4.42Å; F612-F643 AromaticContact CG-CG 3.63Å; F612-F643 HydrophobicContact CG-CG 3.63Å; F612-F643 HydrophobicContact CZ-CB 4.22Å; F612-F643 HydrophobicContact CZ-CD1 4.39Å; F612-F643 HydrophobicContact CZ-CG 4.41Å
613E95.7Very high95Very high94 Ų9429.6 Ų29.644%0.43917%0.166SC..Hα-helixtrans-53.7-41.4168.1-71.1-177.5-17200111.4D609 L616 S617 R850D609-E613 PolarHBondContact O-N 3.37Å; E613-L616 PolarHBondContact O-N 3.1Å; E613-S617 WeakPolarHBondContact O-CB 3.36Å; E613-S617 PolarHBondContact O-N 3.43Å; E613-R850 IonicContact OE2-CZ 2.63Å; E613-R850 IonicContact OE2-NE 2.86Å; E613-R850 IonicContact OE2-NH2 3.17Å; E613-R850 PolarHBondContact OE2-NH2 3.04Å
614N95.4Very high95.4Very high5 Ų529 Ų293%0.02716%0.161CC..Hα-helixtrans-68.2-38.6-177-156.3-160.9000112L610 Y611 F612 S617 W701 L707L610-N614 WeakPolarHBondContact O-CB 3.45Å; L610-N614 PolarHBondContact O-N 2.91Å; Y611-N614 WeakPolarHBondContact O-CA 3.28Å; Y611-N614 VanDerWaalsContact O-CB 3.28Å; Y611-N614 WeakPolarHBondContact O-CB 3.19Å; Y611-N614 PolarHBondContact O-N 3.11Å; F612-N614 PolarHBondContact O-N 3.26Å; N614-S617 WeakPolarHBondContact CA-OG 3.22Å; N614-S617 PolarHBondContact ND2-OG 3.31Å; N614-S617 PolarHBondContact O-N 2.55Å; N614-S617 PolarHBondContact O-OG 2.76Å; N614-W701 HydrophobicContact CB-CH2 4.46Å; N614-W701 HydrophobicContact CB-CZ2 4.39Å; N614-W701 WeakPolarHBondContact OD1-CZ2 3.33Å; N614-L707 PolarHBondContact ND2-O 3.43Å; N614-L707 PolarHBondContact OD1-N 3.25Å; N614-L707 PolarHBondContact OD1-O 3.35Å
615L96.4Very high95.7Very high0 Ų026.7 Ų26.70%015%0.147CC..Hα-helixtrans-61.7-44.7171.5-55.7-168.4000111.8L597 Y611 F612 S617 F643 W701L597-L615 HydrophobicContact CD1-CD2 4.32Å; L597-L615 HydrophobicContact CD2-CD1 4.21Å; L597-L615 HydrophobicContact CD2-CD2 4.33Å; Y611-L615 HydrophobicContact CD2-CD2 4.39Å; Y611-L615 HydrophobicContact CE1-CD1 3.9Å; Y611-L615 HydrophobicContact CE1-CG 4.35Å; Y611-L615 HydrophobicContact CE2-CD2 3.83Å; Y611-L615 HydrophobicContact CE2-CG 4.34Å; Y611-L615 WeakPolarHBondContact O-CG 3.35Å; Y611-L615 PolarHBondContact O-N 2.9Å; F612-L615 HydrophobicContact CD1-CD1 4.2Å; F612-L615 PolarHBondContact O-N 2.98Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 3.44Å; L615-F643 HydrophobicContact CB-CE2 4.09Å; L615-F643 HydrophobicContact CB-CZ 4.08Å; L615-F643 HydrophobicContact CD1-CE1 4.24Å; L615-F643 HydrophobicContact CD1-CE2 4.28Å; L615-F643 HydrophobicContact CD1-CZ 3.71Å; L615-F643 HydrophobicContact CG-CZ 4.5Å; L615-W701 HydrophobicContact CD2-CD2 3.57Å; L615-W701 HydrophobicContact CD2-CE3 3.37Å; L615-W701 HydrophobicContact CD2-CG 4.29Å; L615-W701 HydrophobicContact CD2-CH2 3.75Å; L615-W701 HydrophobicContact CD2-CZ2 3.96Å; L615-W701 HydrophobicContact CD2-CZ3 3.46Å; L615-W701 VanDerWaalsContact CD2-CZ3 3.46Å
616L96.1Very high95.8Very high58 Ų5826.6 Ų26.630%0.30415%0.146SC..Hα-helixtrans-64.1-36.2176.3-64-179.5000111.4F612 E613 L618 K622 F643 E646 A647 F651F612-L616 WeakPolarHBondContact O-CG 3.4Å; F612-L616 PolarHBondContact O-N 3.48Å; F612-L616 VanDerWaalsContact O-N 3.09Å; E613-L616 PolarHBondContact O-N 3.1Å; L616-L618 VanDerWaalsContact C-N 3.28Å; L616-L618 PolarHBondContact O-N 2.79Å; L616-K622 VanDerWaalsContact O-CE 3.28Å; L616-K622 WeakPolarHBondContact O-CE 3.35Å; L616-K622 PolarHBondContact O-NZ 3.3Å; L616-F643 HydrophobicContact CD2-CD2 4.31Å; L616-F643 HydrophobicContact CD2-CE2 3.73Å; L616-F643 HydrophobicContact CG-CD2 4.29Å; L616-F643 HydrophobicContact CG-CE2 3.88Å; L616-E646 HydrophobicContact CD1-CG 4.1Å; L616-A647 HydrophobicContact CD2-CB 4.18Å; L616-F651 HydrophobicContact CD2-CE2 3.89Å
617S96Very high95.9Very high51 Ų5126.6 Ų26.636%0.35715%0.146SC..Hα-helixtrans-70.3-11.9-175.9740000116E613 N614 L615 S619 P710E613-S617 WeakPolarHBondContact O-CB 3.36Å; E613-S617 PolarHBondContact O-N 3.43Å; N614-S617 WeakPolarHBondContact CA-OG 3.22Å; N614-S617 PolarHBondContact ND2-OG 3.31Å; N614-S617 PolarHBondContact O-N 2.55Å; N614-S617 PolarHBondContact O-OG 2.76Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 3.44Å; S617-S619 PolarHBondContact O-N 3.01Å; S617-P710 WeakPolarHBondContact O-CB 3.37Å
618L96.8Very high95.9Very high7 Ų726.7 Ų26.74%0.03715%0.146CC..  trans-54.2125.2179.5-75.3179.2000112.3L597 L616 Y620 K622 M625 L699 W701 L707L597-L618 HydrophobicContact CD1-CD1 3.85Å; L616-L618 VanDerWaalsContact C-N 3.28Å; L616-L618 PolarHBondContact O-N 2.79Å; L618-Y620 PolarHBondContact O-N 3.32Å; L618-K622 PolarHBondContact O-NZ 2.86Å; L618-M625 HydrophobicContact CD1-CE 3.77Å; L618-M625 HydrophobicContact CD1-SD 4.37Å; L618-L699 HydrophobicContact CD1-CD2 4.49Å; L618-W701 HydrophobicContact CD1-CZ3 3.92Å; L618-W701 HydrophobicContact CD2-CH2 4.35Å; L618-W701 HydrophobicContact CD2-CZ3 3.98Å; L618-W701 HydrophobicContact CG-CZ3 4.02Å; L618-L707 HydrophobicContact CD2-CD1 4.24Å
619S96Very high95.8Very high63 Ų6326.6 Ų26.644%0.44115%0.146SC..SBendtrans-79.774.3173.4-174.20000109.5S617 P710 Q714S617-S619 PolarHBondContact O-N 3.01Å; S619-P710 PolarHBondContact N-O 3.23Å; S619-Q714 PolarHBondContact O-NE2 3.42Å
620Y97.3Very high95.7Very high12 Ų1225.3 Ų25.35%0.04714%0.138CC..SBendtrans-149.4143.9176.2-156.3-91.6000108.4W592 P593 V595 L618 K622 R624 M625 L713 Q714 I717W592-Y620 HydrophobicContact CD2-CE2 4.47Å; W592-Y620 AromaticContact CE3-CD2 3.66Å; W592-Y620 HydrophobicContact CE3-CD2 3.66Å; W592-Y620 HydrophobicContact CE3-CE1 4.39Å; W592-Y620 AromaticContact CE3-CE2 3.41Å; W592-Y620 HydrophobicContact CE3-CE2 3.41Å; W592-Y620 VanDerWaalsContact CE3-CE2 3.41Å; W592-Y620 HydrophobicContact CE3-CG 4.26Å; W592-Y620 AromaticContact CE3-CZ 3.82Å; W592-Y620 AromaticContact CZ3-CD2 3.72Å; W592-Y620 HydrophobicContact CZ3-CD2 3.72Å; W592-Y620 AromaticContact CZ3-CE2 3.88Å; W592-Y620 HydrophobicContact CZ3-CE2 3.88Å; W592-Y620 HydrophobicContact CZ3-CG 4.38Å; P593-Y620 WeakPolarHBondContact CD-OH 3.5Å; P593-Y620 PolarHBondContact O-OH 3.15Å; V595-Y620 HydrophobicContact CG2-CE1 3.9Å; L618-Y620 PolarHBondContact O-N 3.32Å; Y620-K622 PolarHBondContact O-N 2.76Å; Y620-K622 VanDerWaalsContact O-N 3.13Å; Y620-R624 HydrophobicContact CE1-CB 4.05Å; Y620-M625 HydrophobicContact CD1-CG 3.6Å; Y620-M625 HydrophobicContact CD1-SD 3.93Å; Y620-M625 HydrophobicContact CE1-CG 4.27Å; Y620-M625 HydrophobicContact CG-SD 4.26Å; Y620-L713 HydrophobicContact CD1-CD2 4.09Å; Y620-L713 HydrophobicContact CD2-CB 4.39Å; Y620-L713 HydrophobicContact CD2-CD2 3.82Å; Y620-L713 HydrophobicContact CD2-CG 3.9Å; Y620-L713 HydrophobicContact CE1-CD2 4.48Å; Y620-L713 HydrophobicContact CE2-CD2 4.23Å; Y620-L713 HydrophobicContact CE2-CG 4.12Å; Y620-L713 HydrophobicContact CG-CD2 3.74Å; Y620-L713 HydrophobicContact CG-CG 4.33Å; Y620-Q714 HydrophobicContact CD2-CG 4.11Å; Y620-I717 HydrophobicContact CE2-CD1 3.65Å; Y620-I717 WeakPolarHBondContact OH-CD1 3.04Å
621P96.6Very high95.4Very high13 Ų1325.3 Ų25.38%0.08414%0.138CC..  trans-60.2117.8-177.2-23.833.4000110.9E589 W592 S623 R624E589-P621 HydrophobicContact CB-CG 3.63Å; E589-P621 HydrophobicContact CG-CG 3.87Å; W592-P621 HydrophobicContact CD2-CG 4.36Å; W592-P621 HydrophobicContact CE3-CG 3.95Å; W592-P621 HydrophobicContact CZ3-CG 4.4Å; P621-S623 PolarHBondContact O-N 2.71Å; P621-R624 HydrophobicContact CB-CB 4.14Å; P621-R624 HydrophobicContact CB-CG 3.82Å; P621-R624 HydrophobicContact CG-CG 4.4Å; P621-R624 WeakPolarHBondContact O-CA 3.1Å; P621-R624 WeakPolarHBondContact O-CB 3.45Å; P621-R624 PolarHBondContact O-N 2.99Å
622K95.9Very high95Very high39 Ų3925.7 Ų25.717%0.1714%0.142CC..G310 helixtrans-64.5-31-175.7-53.4-51.6-168.7-172.50112L616 L618 Y620 R624 M625 S650 F651 A652L616-K622 VanDerWaalsContact O-CE 3.28Å; L616-K622 WeakPolarHBondContact O-CE 3.35Å; L616-K622 PolarHBondContact O-NZ 3.3Å; L618-K622 PolarHBondContact O-NZ 2.86Å; Y620-K622 PolarHBondContact O-N 2.76Å; Y620-K622 VanDerWaalsContact O-N 3.13Å; K622-R624 PolarHBondContact O-N 2.88Å; K622-M625 PolarHBondContact O-N 2.66Å; K622-M625 VanDerWaalsContact O-O 3.06Å; K622-S650 CarbonylContact C-O 3.32Å; K622-S650 WeakPolarHBondContact CB-O 3.35Å; K622-F651 HydrophobicContact CB-CD2 4.34Å; K622-F651 HydrophobicContact CB-CG 4.38Å; K622-F651 HydrophobicContact CD-CD2 4.35Å; K622-F651 HydrophobicContact CD-CE1 4.03Å; K622-F651 HydrophobicContact CD-CE2 3.8Å; K622-F651 HydrophobicContact CD-CZ 3.64Å; K622-F651 HydrophobicContact CG-CE2 4.35Å; K622-F651 WeakPolarHBondContact O-CA 3.3Å; K622-A652 PolarHBondContact O-N 3.18Å; K622-A652 VanDerWaalsContact O-N 3.15Å
623S94.8Very high94.5Very high78 Ų7825.6 Ų25.655%0.54514%0.142SC..G310 helixtrans-61.1-18169.253.80000114.4P621P621-S623 PolarHBondContact O-N 2.71Å
624R96.6Very high94Very high71 Ų7127.3 Ų27.327%0.26815%0.15SC..G310 helixtrans-102.610.2174.5-55.2-60.2-63.6178.8-3.6112.8E590 W592 F594 V595 Y620 P621 K622E590-R624 WeakPolarHBondContact O-CD 3.25Å; E590-R624 PolarHBondContact O-NE 2.71Å; E590-R624 PolarHBondContact O-NH1 2.84Å; W592-R624 PolarHBondContact O-NE 2.68Å; W592-R624 PolarHBondContact O-NH2 3.1Å; F594-R624 VanDerWaalsContact CD2-O 3.31Å; F594-R624 WeakPolarHBondContact CD2-O 2.95Å; V595-R624 PolarHBondContact N-O 2.97Å; Y620-R624 HydrophobicContact CE1-CB 4.05Å; P621-R624 HydrophobicContact CB-CB 4.14Å; P621-R624 HydrophobicContact CB-CG 3.82Å; P621-R624 HydrophobicContact CG-CG 4.4Å; P621-R624 WeakPolarHBondContact O-CA 3.1Å; P621-R624 WeakPolarHBondContact O-CB 3.45Å; P621-R624 PolarHBondContact O-N 2.99Å; K622-R624 PolarHBondContact O-N 2.88Å
625M97Very high93.6Very high0 Ų031.1 Ų31.10%017%0.171CC..EExtended strand (participates in β ladder)trans-124.2126.6179.4-61.5-168.975.600112.4V595 L597 L618 Y620 K622 F651 A652 L713V595-M625 CarbonylContact O-C 3.59Å; V595-M625 VanDerWaalsContact O-CA 3.31Å; V595-M625 WeakPolarHBondContact O-CA 3.43Å; L597-M625 HydrophobicContact CB-CE 4.15Å; L597-M625 HydrophobicContact CD1-CE 3.84Å; L618-M625 HydrophobicContact CD1-CE 3.77Å; L618-M625 HydrophobicContact CD1-SD 4.37Å; Y620-M625 HydrophobicContact CD1-CG 3.6Å; Y620-M625 HydrophobicContact CD1-SD 3.93Å; Y620-M625 HydrophobicContact CE1-CG 4.27Å; Y620-M625 HydrophobicContact CG-SD 4.26Å; K622-M625 PolarHBondContact O-N 2.66Å; K622-M625 VanDerWaalsContact O-O 3.06Å; M625-F651 HydrophobicContact CB-CD1 3.57Å; M625-F651 HydrophobicContact CB-CE1 3.78Å; M625-F651 HydrophobicContact CE-CE1 4.26Å; M625-F651 HydrophobicContact CG-CE1 4.47Å; M625-F651 HydrophobicContact SD-CE1 3.94Å; M625-A652 WeakPolarHBondContact O-CB 3.27Å; M625-A652 PolarHBondContact O-N 2.94Å; M625-L713 HydrophobicContact CE-CD2 3.71Å; M625-L713 HydrophobicContact SD-CD2 4.26Å
626G95.7Very high93.2Very high0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-98.9149.5161.100000111.1V595 V596 L597V595-G626 PolarHBondContact O-N 2.79Å; V596-G626 CarbonylContact C-O 3.57Å; V596-G626 WeakPolarHBondContact CA-O 3.15Å; L597-G626 PolarHBondContact N-O 2.83Å
627I95.7Very high92.7Very high0 Ų030.7 Ų30.70%017%0.169CC..EExtended strand (participates in β ladder)trans-112.5131.4171.3-68.1164.4000110.2L597 L629 F643 A647 F651 F653 V654 E655L597-I627 HydrophobicContact CB-CG1 4.37Å; L597-I627 CarbonylContact O-C 3.59Å; L597-I627 WeakPolarHBondContact O-CA 3.43Å; I627-L629 HydrophobicContact CG2-CB 4.15Å; I627-F643 HydrophobicContact CD1-CE1 4.22Å; I627-F643 HydrophobicContact CD1-CZ 3.85Å; I627-A647 HydrophobicContact CD1-CB 4.01Å; I627-F651 HydrophobicContact CD1-CB 4.45Å; I627-F651 HydrophobicContact CD1-CD1 3.47Å; I627-F651 VanDerWaalsContact CD1-CD1 3.47Å; I627-F651 HydrophobicContact CD1-CD2 3.97Å; I627-F651 HydrophobicContact CD1-CE1 3.5Å; I627-F651 VanDerWaalsContact CD1-CE1 3.5Å; I627-F651 HydrophobicContact CD1-CE2 3.98Å; I627-F651 HydrophobicContact CD1-CG 3.7Å; I627-F651 HydrophobicContact CD1-CZ 3.74Å; I627-F651 HydrophobicContact CG1-CD1 3.69Å; I627-F651 HydrophobicContact CG1-CE1 3.84Å; I627-F651 HydrophobicContact CG1-CG 4.29Å; I627-F653 PolarHBondContact N-O 2.91Å; I627-V654 HydrophobicContact CB-CB 4.48Å; I627-V654 HydrophobicContact CB-CG1 4.11Å; I627-V654 HydrophobicContact CB-CG2 4.32Å; I627-V654 HydrophobicContact CD1-CG2 4.18Å; I627-V654 HydrophobicContact CG2-CG1 4.11Å; I627-E655 PolarHBondContact O-N 3.24Å
628Y95.2Very high92.3Very high1 Ų137.8 Ų37.80%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-104.7124160.1178.1-82.7000107.8L597 A598 S599 F600 E655 P657 A682 N685 A686 W689L597-Y628 PolarHBondContact O-N 2.86Å; A598-Y628 CarbonylContact C-O 3.49Å; A598-Y628 WeakPolarHBondContact CA-O 3.41Å; A598-Y628 HydrophobicContact CB-CD1 4.33Å; S599-Y628 PolarHBondContact N-O 3.31Å; F600-Y628 HydrophobicContact CE1-CE1 4.15Å; F600-Y628 HydrophobicContact CZ-CD1 4.43Å; F600-Y628 HydrophobicContact CZ-CE1 4.29Å; Y628-E655 CarbonylContact C-O 3.52Å; Y628-E655 WeakPolarHBondContact CA-O 3.27Å; Y628-P657 HydrophobicContact CD2-CG 4.41Å; Y628-P657 HydrophobicContact CE1-CG 4.32Å; Y628-P657 HydrophobicContact CE2-CG 3.55Å; Y628-P657 VanDerWaalsContact CZ-CG 3.49Å; Y628-P657 WeakPolarHBondContact OH-CG 3.24Å; Y628-A682 PolarHBondContact OH-O 3.22Å; Y628-A682 VanDerWaalsContact OH-O 3.1Å; Y628-N685 HydrophobicContact CE2-CB 4.37Å; Y628-N685 WeakPolarHBondContact OH-CB 3.42Å; Y628-A686 HydrophobicContact CD1-CB 3.73Å; Y628-A686 HydrophobicContact CD2-CB 4.43Å; Y628-A686 HydrophobicContact CE1-CB 3.8Å; Y628-A686 HydrophobicContact CE2-CB 4.46Å; Y628-A686 HydrophobicContact CG-CB 4.07Å; Y628-W689 HydrophobicContact CD2-CB 4.22Å; Y628-W689 HydrophobicContact CD2-CD2 4.03Å; Y628-W689 HydrophobicContact CD2-CE3 4.41Å; Y628-W689 AromaticContact CD2-CG 3.9Å; Y628-W689 HydrophobicContact CD2-CG 3.9Å; Y628-W689 HydrophobicContact CE2-CD2 4.35Å; Y628-W689 HydrophobicContact CE2-CG 4.04Å
629L92.2Very high92Very high1 Ų140.6 Ų40.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-123.6116.7-175.9-170.7158.9000112F612 I627 N631 V640 F643 E655 S656 P657F612-L629 HydrophobicContact CE1-CD1 4.09Å; I627-L629 HydrophobicContact CG2-CB 4.15Å; L629-N631 HydrophobicContact CD2-CB 4.38Å; L629-V640 HydrophobicContact CD1-CG1 4.29Å; L629-V640 HydrophobicContact CD2-CB 4.47Å; L629-V640 HydrophobicContact CD2-CG1 3.46Å; L629-V640 VanDerWaalsContact CD2-CG1 3.46Å; L629-V640 HydrophobicContact CD2-CG2 4.23Å; L629-F643 HydrophobicContact CD1-CD1 3.55Å; L629-F643 HydrophobicContact CD1-CE1 3.71Å; L629-E655 PolarHBondContact N-O 3.4Å; L629-S656 WeakPolarHBondContact O-CA 3.47Å; L629-S656 WeakPolarHBondContact O-CB 3.49Å; L629-S656 PolarHBondContact O-OG 2.86Å; L629-P657 VanDerWaalsContact O-CD 3.28Å; L629-P657 WeakPolarHBondContact O-CD 3.37Å
630Y91.8Very high91.7Very high19 Ų1937.7 Ų37.78%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-107.3130.6170.8174.2-99.7000111.6S599 F600 I601 T602 S672 A682S599-Y630 PolarHBondContact O-N 2.71Å; F600-Y630 AromaticContact CD1-CD1 3.95Å; F600-Y630 HydrophobicContact CD1-CD1 3.95Å; F600-Y630 HydrophobicContact CD1-CG 4.16Å; I601-Y630 PolarHBondContact N-O 2.62Å; T602-Y630 HydrophobicContact CG2-CD1 4.14Å; T602-Y630 HydrophobicContact CG2-CE1 3.91Å; Y630-S672 PolarHBondContact OH-OG 2.64Å; Y630-A682 HydrophobicContact CD1-CB 4.27Å; Y630-A682 HydrophobicContact CD2-CB 3.31Å; Y630-A682 HydrophobicContact CE2-CB 3.68Å; Y630-A682 HydrophobicContact CG-CB 3.63Å
631N89.5Confident91.3Very high7 Ų739.6 Ų39.64%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-126.8113.1170.9178.939.6000110.5L629 V633 V640L629-N631 HydrophobicContact CD2-CB 4.38Å; N631-V633 PolarHBondContact ND2-O 3.02Å; N631-V633 PolarHBondContact OD1-N 2.9Å; N631-V633 VanDerWaalsContact OD1-N 3.09Å; N631-V633 PolarHBondContact OD1-O 3.2Å; N631-V633 VanDerWaalsContact OD1-O 3.12Å; N631-V640 HydrophobicContact CB-CG2 3.89Å
632G88Confident91Very high9 Ų941.6 Ų41.69%0.09321%0.21CC..  trans-96.37.7172.700000114I601I601-G632 PolarHBondContact O-N 3.48Å
633V86.7Confident90.9Very high10 Ų1040.1 Ų40.16%0.06120%0.204CC..  trans-122.6110.2-176.9-175.80000110.6I601 P604 N631 N635 Y636 S831I601-V633 HydrophobicContact CG2-CG2 4.27Å; P604-V633 HydrophobicContact CG-CG1 4.39Å; N631-V633 PolarHBondContact ND2-O 3.02Å; N631-V633 PolarHBondContact OD1-N 2.9Å; N631-V633 VanDerWaalsContact OD1-N 3.09Å; N631-V633 PolarHBondContact OD1-O 3.2Å; N631-V633 VanDerWaalsContact OD1-O 3.12Å; V633-N635 VanDerWaalsContact C-N 3.29Å; V633-N635 PolarHBondContact O-N 3.29Å; V633-Y636 HydrophobicContact CB-CD2 3.62Å; V633-Y636 HydrophobicContact CB-CE2 3.86Å; V633-Y636 HydrophobicContact CG1-CD2 3.63Å; V633-Y636 HydrophobicContact CG1-CE2 3.56Å; V633-Y636 HydrophobicContact CG1-CG 4.5Å; V633-Y636 HydrophobicContact CG2-CD2 4.31Å; V633-Y636 HydrophobicContact CG2-CE2 4.2Å; V633-Y636 PolarHBondContact O-N 3.1Å; V633-S831 WeakPolarHBondContact CG1-OG 3.27Å
634E84Confident90.7Very high129 Ų12940.4 Ų40.460%0.60319%0.193SC*.G310 helixtrans-52-43.1-175.5-179.4163-160.600113.7Y636 T637 I671E634-Y636 PolarHBondContact O-N 3.02Å; E634-Y636 VanDerWaalsContact O-N 3.1Å; E634-T637 VanDerWaalsContact O-CB 3.27Å; E634-T637 WeakPolarHBondContact O-CB 3.45Å; E634-T637 PolarHBondContact O-N 3.11Å; E634-T637 PolarHBondContact O-OG1 3.38Å; E634-I671 HydrophobicContact CB-CD1 4.24Å; E634-I671 HydrophobicContact CB-CG1 4.49Å; E634-I671 HydrophobicContact CB-CG2 4.14Å; E634-I671 HydrophobicContact CG-CD1 3.7Å; E634-I671 HydrophobicContact CG-CG1 4.44Å
635N86.6Confident90.5Very high85 Ų8544.2 Ų44.246%0.45521%0.208SC..G310 helixtrans-62-21.9-175.4-64.3-37.2000114.4V633 S831 A832V633-N635 VanDerWaalsContact C-N 3.29Å; V633-N635 PolarHBondContact O-N 3.29Å; N635-S831 WeakPolarHBondContact CB-O 3.42Å; N635-S831 VanDerWaalsContact ND2-C 3.32Å; N635-S831 PolarHBondContact ND2-O 2.83Å; N635-S831 PolarHBondContact ND2-OG 2.97Å; N635-A832 WeakPolarHBondContact ND2-CA 3.3Å; N635-A832 PolarHBondContact ND2-N 2.95Å
636Y88.9Confident90.4Very high13 Ų1348.1 Ų48.15%0.05123%0.226CC..G310 helixtrans-91.40.8177-53.4-51.3000114.2I601 S605 V608 V633 E634 R638 L639 V640 Y829 S831I601-Y636 HydrophobicContact CG2-CD2 3.57Å; I601-Y636 HydrophobicContact CG2-CE2 3.91Å; S605-Y636 PolarHBondContact N-OH 3.13Å; S605-Y636 PolarHBondContact O-OH 2.99Å; V608-Y636 HydrophobicContact CB-CD1 4.09Å; V608-Y636 HydrophobicContact CB-CE1 4.12Å; V608-Y636 HydrophobicContact CB-CG 4.43Å; V608-Y636 HydrophobicContact CG1-CD1 4.26Å; V608-Y636 HydrophobicContact CG1-CG 4.19Å; V608-Y636 HydrophobicContact CG2-CD1 4.07Å; V608-Y636 HydrophobicContact CG2-CD2 4.12Å; V608-Y636 HydrophobicContact CG2-CE1 3.77Å; V608-Y636 HydrophobicContact CG2-CE2 3.86Å; V608-Y636 HydrophobicContact CG2-CG 4.24Å; V633-Y636 HydrophobicContact CB-CD2 3.62Å; V633-Y636 HydrophobicContact CB-CE2 3.86Å; V633-Y636 HydrophobicContact CG1-CD2 3.63Å; V633-Y636 HydrophobicContact CG1-CE2 3.56Å; V633-Y636 HydrophobicContact CG1-CG 4.5Å; V633-Y636 HydrophobicContact CG2-CD2 4.31Å; V633-Y636 HydrophobicContact CG2-CE2 4.2Å; V633-Y636 PolarHBondContact O-N 3.1Å; E634-Y636 PolarHBondContact O-N 3.02Å; E634-Y636 VanDerWaalsContact O-N 3.1Å; Y636-R638 PolarHBondContact O-N 3.4Å; Y636-R638 VanDerWaalsContact O-N 3.09Å; Y636-L639 HydrophobicContact CD1-CD1 4.17Å; Y636-L639 PolarHBondContact O-N 2.78Å; Y636-V640 WeakPolarHBondContact O-CG2 2.98Å; Y636-V640 PolarHBondContact O-N 3.39Å; Y636-Y829 VanDerWaalsContact OH-CE1 3.25Å; Y636-Y829 WeakPolarHBondContact OH-CE1 3.48Å; Y636-S831 WeakPolarHBondContact OH-CB 3.49Å
637T86.2Confident90.2Very high36 Ų3648.1 Ų48.122%0.22123%0.226CC..Hα-helixtrans-53.4-36.8-175.1-60.20000113.1E634 A641E634-T637 VanDerWaalsContact O-CB 3.27Å; E634-T637 WeakPolarHBondContact O-CB 3.45Å; E634-T637 PolarHBondContact O-N 3.11Å; E634-T637 PolarHBondContact O-OG1 3.38Å; T637-A641 WeakPolarHBondContact O-CB 3.37Å; T637-A641 PolarHBondContact O-N 3.24Å
638R87.6Confident90.1Very high201 Ų20151.2 Ų51.276%0.75825%0.248SC*.Hα-helixtrans-68.5-48.6175.8-174.9175178.11710.8112.6Y636 V640 A641 D642Y636-R638 PolarHBondContact O-N 3.4Å; Y636-R638 VanDerWaalsContact O-N 3.09Å; R638-V640 VanDerWaalsContact C-N 3.28Å; R638-V640 PolarHBondContact O-N 3.2Å; R638-A641 PolarHBondContact O-N 3.33Å; R638-A641 VanDerWaalsContact O-N 3.16Å; R638-D642 PolarHBondContact O-N 3.4Å
639L89.7Confident90.1Very high65 Ų6557.9 Ų57.934%0.3428%0.276SS..Hα-helixtrans-60.3-40.2177.2-65.3177000111.3V608 F612 Y636 D642 F643V608-L639 HydrophobicContact CB-CD1 4.33Å; V608-L639 HydrophobicContact CG1-CD1 4.3Å; F612-L639 HydrophobicContact CD2-CB 4.3Å; F612-L639 HydrophobicContact CE2-CB 3.86Å; Y636-L639 HydrophobicContact CD1-CD1 4.17Å; Y636-L639 PolarHBondContact O-N 2.78Å; L639-D642 PolarHBondContact O-N 3.34Å; L639-F643 WeakPolarHBondContact O-CB 3.41Å; L639-F643 PolarHBondContact O-N 3.02Å
640V90.1Very high90.2Very high3 Ų360.7 Ų60.72%0.01830%0.296CS..Hα-helixtrans-60.1-45.6174.2167.30000111.6I601 F612 L629 N631 Y636 R638 R644I601-V640 HydrophobicContact CD1-CG2 3.83Å; F612-V640 HydrophobicContact CE2-CG2 4.34Å; F612-V640 HydrophobicContact CZ-CB 4.49Å; F612-V640 HydrophobicContact CZ-CG2 3.82Å; L629-V640 HydrophobicContact CD1-CG1 4.29Å; L629-V640 HydrophobicContact CD2-CB 4.47Å; L629-V640 HydrophobicContact CD2-CG1 3.46Å; L629-V640 VanDerWaalsContact CD2-CG1 3.46Å; L629-V640 HydrophobicContact CD2-CG2 4.23Å; N631-V640 HydrophobicContact CB-CG2 3.89Å; Y636-V640 WeakPolarHBondContact O-CG2 2.98Å; Y636-V640 PolarHBondContact O-N 3.39Å; R638-V640 VanDerWaalsContact C-N 3.28Å; R638-V640 PolarHBondContact O-N 3.2Å; V640-R644 VanDerWaalsContact O-CB 3.31Å; V640-R644 WeakPolarHBondContact O-CB 3.41Å; V640-R644 PolarHBondContact O-N 2.83Å
641A88.6Confident90.3Very high51 Ų5160.3 Ų60.342%0.42130%0.295SS..Hα-helixtrans-66.8-39.1178.500000112.4T637 R638 R645T637-A641 WeakPolarHBondContact O-CB 3.37Å; T637-A641 PolarHBondContact O-N 3.24Å; R638-A641 PolarHBondContact O-N 3.33Å; R638-A641 VanDerWaalsContact O-N 3.16Å; A641-R645 WeakPolarHBondContact O-CB 3.44Å; A641-R645 PolarHBondContact O-N 2.9Å; A641-R645 VanDerWaalsContact O-N 3.1Å
642D91Very high90.4Very high55 Ų5562.4 Ų62.429%0.29431%0.314SS..Hα-helixtrans-67.5-45.5176.5-71.1-32.3000111.5R638 L639 R645 E646R638-D642 PolarHBondContact O-N 3.4Å; L639-D642 PolarHBondContact O-N 3.34Å; D642-R645 PolarHBondContact O-N 3.34Å; D642-R645 IonicContact OD1-CZ 3.77Å; D642-R645 IonicContact OD1-NH1 2.73Å; D642-R645 PolarHBondContact OD1-NH1 2.8Å; D642-R645 IonicContact OD1-NH2 2.79Å; D642-R645 PolarHBondContact OD1-NH2 3.06Å; D642-E646 PolarHBondContact O-N 3.36Å; D642-E646 VanDerWaalsContact O-N 3.14Å
643F93.5Very high90.5Very high9 Ų964.1 Ų64.14%0.03932%0.318CS..Hα-helixtrans-60.5-46.1172.7170-102.6000112.3F612 L615 L616 I627 L629 L639 R645 E646 A647F612-F643 HydrophobicContact CB-CB 4.15Å; F612-F643 HydrophobicContact CB-CD2 3.56Å; F612-F643 HydrophobicContact CB-CE2 4.19Å; F612-F643 HydrophobicContact CB-CG 4Å; F612-F643 HydrophobicContact CD1-CB 3.79Å; F612-F643 AromaticContact CD1-CD1 3.57Å; F612-F643 HydrophobicContact CD1-CD1 3.57Å; F612-F643 AromaticContact CD1-CD2 3.57Å; F612-F643 HydrophobicContact CD1-CD2 3.57Å; F612-F643 AromaticContact CD1-CE1 4Å; F612-F643 HydrophobicContact CD1-CE1 4Å; F612-F643 AromaticContact CD1-CE2 3.96Å; F612-F643 HydrophobicContact CD1-CE2 3.96Å; F612-F643 AromaticContact CD1-CG 3.32Å; F612-F643 HydrophobicContact CD1-CG 3.32Å; F612-F643 HydrophobicContact CD1-CZ 4.16Å; F612-F643 HydrophobicContact CD2-CB 3.83Å; F612-F643 HydrophobicContact CD2-CG 4.29Å; F612-F643 HydrophobicContact CE1-CB 4.08Å; F612-F643 AromaticContact CE1-CD1 3.63Å; F612-F643 HydrophobicContact CE1-CD1 3.63Å; F612-F643 HydrophobicContact CE1-CD2 4.44Å; F612-F643 HydrophobicContact CE1-CE1 4.16Å; F612-F643 AromaticContact CE1-CG 3.78Å; F612-F643 HydrophobicContact CE1-CG 3.78Å; F612-F643 HydrophobicContact CE2-CB 4.1Å; F612-F643 HydrophobicContact CG-CB 3.67Å; F612-F643 HydrophobicContact CG-CD1 4.32Å; F612-F643 AromaticContact CG-CD2 3.72Å; F612-F643 HydrophobicContact CG-CD2 3.72Å; F612-F643 HydrophobicContact CG-CE2 4.42Å; F612-F643 AromaticContact CG-CG 3.63Å; F612-F643 HydrophobicContact CG-CG 3.63Å; F612-F643 HydrophobicContact CZ-CB 4.22Å; F612-F643 HydrophobicContact CZ-CD1 4.39Å; F612-F643 HydrophobicContact CZ-CG 4.41Å; L615-F643 HydrophobicContact CB-CE2 4.09Å; L615-F643 HydrophobicContact CB-CZ 4.08Å; L615-F643 HydrophobicContact CD1-CE1 4.24Å; L615-F643 HydrophobicContact CD1-CE2 4.28Å; L615-F643 HydrophobicContact CD1-CZ 3.71Å; L615-F643 HydrophobicContact CG-CZ 4.5Å; L616-F643 HydrophobicContact CD2-CD2 4.31Å; L616-F643 HydrophobicContact CD2-CE2 3.73Å; L616-F643 HydrophobicContact CG-CD2 4.29Å; L616-F643 HydrophobicContact CG-CE2 3.88Å; I627-F643 HydrophobicContact CD1-CE1 4.22Å; I627-F643 HydrophobicContact CD1-CZ 3.85Å; L629-F643 HydrophobicContact CD1-CD1 3.55Å; L629-F643 HydrophobicContact CD1-CE1 3.71Å; L639-F643 WeakPolarHBondContact O-CB 3.41Å; L639-F643 PolarHBondContact O-N 3.02Å; F643-R645 VanDerWaalsContact C-N 3.31Å; F643-R645 PolarHBondContact O-N 2.96Å; F643-E646 PolarHBondContact O-N 2.87Å; F643-E646 VanDerWaalsContact O-N 3.11Å; F643-A647 HydrophobicContact CE1-CB 4.2Å; F643-A647 HydrophobicContact CE2-CB 4.13Å; F643-A647 HydrophobicContact CZ-CB 3.95Å; F643-A647 WeakPolarHBondContact O-CB 3.19Å; F643-A647 PolarHBondContact O-N 2.86Å
644R90.9Very high90.5Very high84 Ų8464.1 Ų64.132%0.31732%0.318SS..Hα-helixtrans-56.2-47.1178-178.6179.4-177-159.91.5110.9V640 E646 A647 S648 V654V640-R644 VanDerWaalsContact O-CB 3.31Å; V640-R644 WeakPolarHBondContact O-CB 3.41Å; V640-R644 PolarHBondContact O-N 2.83Å; R644-E646 VanDerWaalsContact C-N 3.28Å; R644-E646 PolarHBondContact O-N 3.22Å; R644-A647 PolarHBondContact O-N 3.32Å; R644-S648 VanDerWaalsContact O-CB 3.3Å; R644-S648 WeakPolarHBondContact O-CB 3.35Å; R644-S648 PolarHBondContact O-N 3.23Å; R644-S648 PolarHBondContact O-OG 3.36Å; R644-V654 HydrophobicContact CB-CG1 4.49Å; R644-V654 HydrophobicContact CG-CG1 3.97Å
645R92Very high90.4Very high151 Ų15161.2 Ų61.257%0.5731%0.305SS*.Hα-helixtrans-61.6-33.8178.4-174.7178.564.6-108.6-2.9112.8A641 D642 F643A641-R645 WeakPolarHBondContact O-CB 3.44Å; A641-R645 PolarHBondContact O-N 2.9Å; A641-R645 VanDerWaalsContact O-N 3.1Å; D642-R645 PolarHBondContact O-N 3.34Å; D642-R645 IonicContact OD1-CZ 3.77Å; D642-R645 IonicContact OD1-NH1 2.73Å; D642-R645 PolarHBondContact OD1-NH1 2.8Å; D642-R645 IonicContact OD1-NH2 2.79Å; D642-R645 PolarHBondContact OD1-NH2 3.06Å; F643-R645 VanDerWaalsContact C-N 3.31Å; F643-R645 PolarHBondContact O-N 2.96Å
646E93.6Very high89.6Confident82 Ų8257.8 Ų57.838%0.38329%0.288SS..Hα-helixtrans-76.3-51.1176.2-16458-133.500111.9L616 D642 F643 R644 S648 K649L616-E646 HydrophobicContact CD1-CG 4.1Å; D642-E646 PolarHBondContact O-N 3.36Å; D642-E646 VanDerWaalsContact O-N 3.14Å; F643-E646 PolarHBondContact O-N 2.87Å; F643-E646 VanDerWaalsContact O-N 3.11Å; R644-E646 VanDerWaalsContact C-N 3.28Å; R644-E646 PolarHBondContact O-N 3.22Å; E646-S648 VanDerWaalsContact C-N 3.32Å; E646-S648 PolarHBondContact O-N 3.25Å; E646-K649 WeakPolarHBondContact O-CB 3.36Å; E646-K649 WeakPolarHBondContact O-CG 3.33Å; E646-K649 PolarHBondContact O-N 2.88Å; E646-K649 VanDerWaalsContact O-N 3.11Å; E646-K649 WeakPolarHBondContact OE1-CD 3.16Å; E646-K649 WeakPolarHBondContact OE1-CE 3.28Å; E646-K649 IonicContact OE1-NZ 2.7Å; E646-K649 PolarHBondContact OE1-NZ 3.39Å; E646-K649 WeakPolarHBondContact OE2-CE 3.43Å; E646-K649 IonicContact OE2-NZ 3.17Å; E646-K649 PolarHBondContact OE2-NZ 3.22Å
647A92.9Very high88.3Confident0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-62.8-36.6-177.600000112.3L616 I627 F643 R644 K649 S650 F651 V654L616-A647 HydrophobicContact CD2-CB 4.18Å; I627-A647 HydrophobicContact CD1-CB 4.01Å; F643-A647 HydrophobicContact CE1-CB 4.2Å; F643-A647 HydrophobicContact CE2-CB 4.13Å; F643-A647 HydrophobicContact CZ-CB 3.95Å; F643-A647 WeakPolarHBondContact O-CB 3.19Å; F643-A647 PolarHBondContact O-N 2.86Å; R644-A647 PolarHBondContact O-N 3.32Å; A647-K649 PolarHBondContact O-N 3.17Å; A647-S650 PolarHBondContact O-N 2.84Å; A647-S650 VanDerWaalsContact O-N 3.11Å; A647-F651 HydrophobicContact CB-CD2 3.91Å; A647-F651 HydrophobicContact CB-CE2 4.23Å; A647-F651 WeakPolarHBondContact O-CD2 3.25Å; A647-F651 PolarHBondContact O-N 2.84Å; A647-V654 HydrophobicContact CB-CG1 4.46Å; A647-V654 HydrophobicContact CB-CG2 3.73Å
648S92.8Very high86.6Confident65 Ų6560.1 Ų60.146%0.45531%0.306SS..THydrogen-bonded Turntrans-60.3-11175.6-720000114.8R644 E646R644-S648 VanDerWaalsContact O-CB 3.3Å; R644-S648 WeakPolarHBondContact O-CB 3.35Å; R644-S648 PolarHBondContact O-N 3.23Å; R644-S648 PolarHBondContact O-OG 3.36Å; E646-S648 VanDerWaalsContact C-N 3.32Å; E646-S648 PolarHBondContact O-N 3.25Å
649K95.2Very high84.5Confident140 Ų14054.3 Ų54.361%0.60929%0.289SS*.THydrogen-bonded Turntrans-79-20.9175.2-58.3176.7-168.51670114E646 A647E646-K649 WeakPolarHBondContact O-CB 3.36Å; E646-K649 WeakPolarHBondContact O-CG 3.33Å; E646-K649 PolarHBondContact O-N 2.88Å; E646-K649 VanDerWaalsContact O-N 3.11Å; E646-K649 WeakPolarHBondContact OE1-CD 3.16Å; E646-K649 WeakPolarHBondContact OE1-CE 3.28Å; E646-K649 IonicContact OE1-NZ 2.7Å; E646-K649 PolarHBondContact OE1-NZ 3.39Å; E646-K649 WeakPolarHBondContact OE2-CE 3.43Å; E646-K649 IonicContact OE2-NZ 3.17Å; E646-K649 PolarHBondContact OE2-NZ 3.22Å; A647-K649 PolarHBondContact O-N 3.17Å
650S93.7Very high81.9Confident60 Ų6057 Ų5742%0.4231%0.308SS..THydrogen-bonded Turntrans-137.6-29.4-168.659.70000115K622 A647K622-S650 CarbonylContact C-O 3.32Å; K622-S650 WeakPolarHBondContact CB-O 3.35Å; A647-S650 PolarHBondContact O-N 2.84Å; A647-S650 VanDerWaalsContact O-N 3.11Å
651F94.6Very high79.1Confident11 Ų1160.9 Ų60.95%0.04834%0.336CS..SBendtrans-75148.5175.9-75.7-103.2000110.9L616 K622 M625 I627 A647 F653 V654L616-F651 HydrophobicContact CD2-CE2 3.89Å; K622-F651 HydrophobicContact CB-CD2 4.34Å; K622-F651 HydrophobicContact CB-CG 4.38Å; K622-F651 HydrophobicContact CD-CD2 4.35Å; K622-F651 HydrophobicContact CD-CE1 4.03Å; K622-F651 HydrophobicContact CD-CE2 3.8Å; K622-F651 HydrophobicContact CD-CZ 3.64Å; K622-F651 HydrophobicContact CG-CE2 4.35Å; K622-F651 WeakPolarHBondContact O-CA 3.3Å; M625-F651 HydrophobicContact CB-CD1 3.57Å; M625-F651 HydrophobicContact CB-CE1 3.78Å; M625-F651 HydrophobicContact CE-CE1 4.26Å; M625-F651 HydrophobicContact CG-CE1 4.47Å; M625-F651 HydrophobicContact SD-CE1 3.94Å; I627-F651 HydrophobicContact CD1-CB 4.45Å; I627-F651 HydrophobicContact CD1-CD1 3.47Å; I627-F651 VanDerWaalsContact CD1-CD1 3.47Å; I627-F651 HydrophobicContact CD1-CD2 3.97Å; I627-F651 HydrophobicContact CD1-CE1 3.5Å; I627-F651 VanDerWaalsContact CD1-CE1 3.5Å; I627-F651 HydrophobicContact CD1-CE2 3.98Å; I627-F651 HydrophobicContact CD1-CG 3.7Å; I627-F651 HydrophobicContact CD1-CZ 3.74Å; I627-F651 HydrophobicContact CG1-CD1 3.69Å; I627-F651 HydrophobicContact CG1-CE1 3.84Å; I627-F651 HydrophobicContact CG1-CG 4.29Å; A647-F651 HydrophobicContact CB-CD2 3.91Å; A647-F651 HydrophobicContact CB-CE2 4.23Å; A647-F651 WeakPolarHBondContact O-CD2 3.25Å; A647-F651 PolarHBondContact O-N 2.84Å; F651-F653 PolarHBondContact O-N 3.43Å; F651-V654 HydrophobicContact CB-CG2 3.86Å
652A91.9Very high76.4Confident52 Ų5262.4 Ų62.443%0.4336%0.357SS..SBendtrans-56.3-35.6-179.300000112.8F594 K622 M625F594-A652 HydrophobicContact CE2-CB 3.92Å; F594-A652 HydrophobicContact CZ-CB 4.27Å; K622-A652 PolarHBondContact O-N 3.18Å; K622-A652 VanDerWaalsContact O-N 3.15Å; M625-A652 WeakPolarHBondContact O-CB 3.27Å; M625-A652 PolarHBondContact O-N 2.94Å
653F90.5Very high73.4Confident44 Ų4465 Ų6519%0.19337%0.371CS..EExtended strand (participates in β ladder)trans-159.4157.8164.754.7-97.3000110.1F594 V596 I627 F651 E655 R693F594-F653 AromaticContact CE1-CE1 3.96Å; F594-F653 HydrophobicContact CE1-CE1 3.96Å; F594-F653 HydrophobicContact CE1-CZ 4.19Å; F594-F653 HydrophobicContact CZ-CD1 4.4Å; F594-F653 AromaticContact CZ-CE1 3.56Å; F594-F653 HydrophobicContact CZ-CE1 3.56Å; F594-F653 HydrophobicContact CZ-CZ 4.09Å; V596-F653 HydrophobicContact CG2-CZ 4.18Å; I627-F653 PolarHBondContact N-O 2.91Å; F651-F653 PolarHBondContact O-N 3.43Å; F653-E655 HydrophobicContact CB-CG 4.38Å; F653-E655 HydrophobicContact CD2-CB 4.34Å; F653-E655 HydrophobicContact CD2-CG 3.8Å; F653-E655 HydrophobicContact CG-CG 4.45Å; F653-R693 VanDerWaalsContact CZ-CD 3.41Å
654V85.8Confident70.4Confident10 Ų1073.8 Ų73.86%0.06141%0.412CS..EExtended strand (participates in β ladder)trans-134.9108.7172.5-174.50000109.2I627 R644 A647 F651I627-V654 HydrophobicContact CB-CB 4.48Å; I627-V654 HydrophobicContact CB-CG1 4.11Å; I627-V654 HydrophobicContact CB-CG2 4.32Å; I627-V654 HydrophobicContact CD1-CG2 4.18Å; I627-V654 HydrophobicContact CG2-CG1 4.11Å; R644-V654 HydrophobicContact CB-CG1 4.49Å; R644-V654 HydrophobicContact CG-CG1 3.97Å; A647-V654 HydrophobicContact CB-CG1 4.46Å; A647-V654 HydrophobicContact CB-CG2 3.73Å; F651-V654 HydrophobicContact CB-CG2 3.86Å
655E82.8Confident67.6Low69 Ų6979.6 Ų79.632%0.32243%0.434SS..EExtended strand (participates in β ladder)trans-120.7123.6-166.4-72.9-88.9-141.300109.1I627 Y628 L629 F653 W689I627-E655 PolarHBondContact O-N 3.24Å; Y628-E655 CarbonylContact C-O 3.52Å; Y628-E655 WeakPolarHBondContact CA-O 3.27Å; L629-E655 PolarHBondContact N-O 3.4Å; F653-E655 HydrophobicContact CB-CG 4.38Å; F653-E655 HydrophobicContact CD2-CB 4.34Å; F653-E655 HydrophobicContact CD2-CG 3.8Å; F653-E655 HydrophobicContact CG-CG 4.45Å; E655-W689 HydrophobicContact CB-CE3 4.25Å; E655-W689 HydrophobicContact CB-CH2 3.68Å; E655-W689 HydrophobicContact CB-CZ3 3.43Å; E655-W689 VanDerWaalsContact CB-CZ3 3.43Å; E655-W689 VanDerWaalsContact CD-CH2 3.44Å; E655-W689 HydrophobicContact CG-CH2 3.69Å; E655-W689 HydrophobicContact CG-CZ3 3.46Å; E655-W689 VanDerWaalsContact CG-CZ3 3.46Å; E655-W689 WeakPolarHBondContact OE1-CH2 2.87Å
656S70.1Confident64.7Low13 Ų1379.9 Ų79.99%0.09144%0.439CS..  trans-124.6115.6178.5-171.20000107.1L629 S658L629-S656 WeakPolarHBondContact O-CA 3.47Å; L629-S656 WeakPolarHBondContact O-CB 3.49Å; L629-S656 PolarHBondContact O-OG 2.86Å; S656-S658 PolarHBondContact O-N 2.87Å
657P60.4Low61.7Low41 Ų4179.8 Ų79.827%0.26645%0.448SS..  trans-63.4108-174.9-16.827.2000110.6Y628 L629 I659Y628-P657 HydrophobicContact CD2-CG 4.41Å; Y628-P657 HydrophobicContact CE1-CG 4.32Å; Y628-P657 HydrophobicContact CE2-CG 3.55Å; Y628-P657 VanDerWaalsContact CZ-CG 3.49Å; Y628-P657 WeakPolarHBondContact OH-CG 3.24Å; L629-P657 VanDerWaalsContact O-CD 3.28Å; L629-P657 WeakPolarHBondContact O-CD 3.37Å; P657-I659 PolarHBondContact O-N 3.2Å
658S50.8Low59Low56 Ų5687.3 Ų87.339%0.39248%0.481SS..  trans-69.4112.2155.158.30000107.1S656 T660S656-S658 PolarHBondContact O-N 2.87Å; S658-T660 VanDerWaalsContact C-N 3.25Å; S658-T660 PolarHBondContact O-N 3.28Å
659I44Very low56.5Low80 Ų8085.5 Ų85.541%0.4147%0.467SS..  trans-64.296.8162.2-60.4174.3000105.5P657 S661 K670P657-I659 PolarHBondContact O-N 3.2Å; I659-S661 PolarHBondContact O-N 3.33Å; I659-K670 HydrophobicContact CB-CB 4.24Å; I659-K670 HydrophobicContact CB-CD 4.09Å; I659-K670 HydrophobicContact CB-CG 4.49Å; I659-K670 HydrophobicContact CG2-CD 4.15Å; I659-K670 WeakPolarHBondContact O-CB 3.33Å; I659-K670 WeakPolarHBondContact O-CD 3.41Å
660T34.8Very low53.8Low120 Ų12083.5 Ų83.574%0.73646%0.458SS*.  trans-67.3123.7-166.732.40000111.3S658S658-T660 VanDerWaalsContact C-N 3.25Å; S658-T660 PolarHBondContact O-N 3.28Å
661S32.1Very low51.5Low86 Ų8683.8 Ų83.860%0.60145%0.454SS*.  trans-13278.3152.854.20000109.6I659 K670I659-S661 PolarHBondContact O-N 3.33Å; S661-K670 PolarHBondContact OG-NZ 3.47Å
662G31.2Very low49.3Very low83 Ų8383.7 Ų83.786%0.85646%0.455SS*.SBendtrans94.90.1138.400000121
663D28.9Very low47Very low110 Ų11087.1 Ų87.159%0.58847%0.471SS*.  trans-141125.4173.9-151.4-26.2000113.4R665D663-R665 PolarHBondContact OD1-N 2.81Å
664E30.1Very low45.2Very low193 Ų19387.1 Ų87.190%0.90248%0.483SS*.SBendtrans-91.3-5.6-170.8-65.7-175143.200113.7
665R32.4Very low44.2Very low205 Ų20588.5 Ų88.577%0.77449%0.493SS*.SBendtrans-96.2-12.5-173.4-79.5176.3-71.6-170.5-3.7116D663D663-R665 PolarHBondContact OD1-N 2.81Å
666F31Very low43.2Very low157 Ų15788.1 Ų88.169%0.68950%0.502SS*.  trans-142.690.4167.7-63.5-82.6000109.6F668F666-F668 HydrophobicContact CB-CD2 3.68Å; F666-F668 HydrophobicContact CB-CE2 3.66Å; F666-F668 HydrophobicContact CD1-CE2 4.15Å; F666-F668 HydrophobicContact CG-CE2 4.12Å; F666-F668 PolarHBondContact O-N 2.81Å
667S30.4Very low43.2Very low80 Ų8090.6 Ų90.656%0.55952%0.523SS*.  trans-74.961172.347.30000111.5V669S667-V669 PolarHBondContact O-N 2.82Å
668F34.7Very low44.1Very low158 Ų15890.2 Ų90.269%0.69352%0.519SS*.  trans-57.5124.4154.9-68.7-74.3000107.2F666 K670F666-F668 HydrophobicContact CB-CD2 3.68Å; F666-F668 HydrophobicContact CB-CE2 3.66Å; F666-F668 HydrophobicContact CD1-CE2 4.15Å; F666-F668 HydrophobicContact CG-CE2 4.12Å; F666-F668 PolarHBondContact O-N 2.81Å; F668-K670 PolarHBondContact O-N 2.88Å; F668-K670 VanDerWaalsContact O-N 3.08Å
669V40.3Very low46Very low28 Ų2889.2 Ų89.217%0.1751%0.508CS..  trans-52.4119.9176.2177.20000107.3S667 I671S667-V669 PolarHBondContact O-N 2.82Å; V669-I671 VanDerWaalsContact C-N 3.32Å; V669-I671 PolarHBondContact O-N 2.68Å
670K39.8Very low48.3Very low98 Ų9886.4 Ų86.443%0.42649%0.492SS..  trans-67.3100.8173.2-174.3174-173.8169.80107.1I659 S661 F668 S672I659-K670 HydrophobicContact CB-CB 4.24Å; I659-K670 HydrophobicContact CB-CD 4.09Å; I659-K670 HydrophobicContact CB-CG 4.49Å; I659-K670 HydrophobicContact CG2-CD 4.15Å; I659-K670 WeakPolarHBondContact O-CB 3.33Å; I659-K670 WeakPolarHBondContact O-CD 3.41Å; S661-K670 PolarHBondContact OG-NZ 3.47Å; F668-K670 PolarHBondContact O-N 2.88Å; F668-K670 VanDerWaalsContact O-N 3.08Å; K670-S672 PolarHBondContact O-N 3.5Å
671I45.3Very low50.9Low65 Ų6586 Ų8633%0.33348%0.482SS..  trans-52.2108.9174.8-63148.2000106.8E634 V669E634-I671 HydrophobicContact CB-CD1 4.24Å; E634-I671 HydrophobicContact CB-CG1 4.49Å; E634-I671 HydrophobicContact CB-CG2 4.14Å; E634-I671 HydrophobicContact CG-CD1 3.7Å; E634-I671 HydrophobicContact CG-CG1 4.44Å; V669-I671 VanDerWaalsContact C-N 3.32Å; V669-I671 PolarHBondContact O-N 2.68Å
672S47.2Very low53.7Low9 Ų982.1 Ų82.16%0.06346%0.455CS..  trans-69.6149.4165.384.60000107.3Y630 K670 G674 D678Y630-S672 PolarHBondContact OH-OG 2.64Å; K670-S672 PolarHBondContact O-N 3.5Å; S672-G674 PolarHBondContact O-N 3.09Å; S672-D678 WeakPolarHBondContact OG-CB 3.41Å
673T44.6Very low56.8Low125 Ų12578.3 Ų78.377%0.76742%0.415SS*.  trans-79.647.8-173.6470000112.2S675 D678T673-S675 PolarHBondContact O-N 2.73Å; T673-D678 PolarHBondContact N-OD2 3.06Å
674G52.5Low60Low43 Ų4373.4 Ų73.444%0.44339%0.389SS..SBendtrans51.522.3172.900000115.3S672S672-G674 PolarHBondContact O-N 3.09Å
675S64.2Low63Low39 Ų3966.7 Ų66.727%0.27336%0.359SS..  trans-89.5149.8-166.483.20000111.4T673 A677 D678 E679T673-S675 PolarHBondContact O-N 2.73Å; S675-A677 PolarHBondContact O-N 2.92Å; S675-A677 PolarHBondContact OG-N 2.64Å; S675-D678 VanDerWaalsContact CB-OD2 3.3Å; S675-D678 WeakPolarHBondContact CB-OD2 3.47Å; S675-D678 PolarHBondContact N-OD2 3.14Å; S675-D678 PolarHBondContact O-N 2.93Å; S675-D678 PolarHBondContact OG-N 2.87Å; S675-D678 PolarHBondContact OG-OD2 3Å; S675-E679 PolarHBondContact O-N 3Å
676A61.6Low65.9Low62 Ų6257 Ų5751%0.51232%0.323SS..Hα-helixtrans-63.9-8174.700000113.7R680A676-R680 VanDerWaalsContact O-CB 3.29Å; A676-R680 WeakPolarHBondContact O-CB 3.45Å
677A70.1Confident69Low65 Ų6549.7 Ų49.754%0.53729%0.291SS..Hα-helixtrans-83.9-44.2168.500000111.3S675 R680 Q681S675-A677 PolarHBondContact O-N 2.92Å; S675-A677 PolarHBondContact OG-N 2.64Å; A677-R680 PolarHBondContact O-N 3.2Å; A677-Q681 PolarHBondContact O-N 2.9Å
678D80.8Confident72.1Confident33 Ų3349.9 Ų49.918%0.17628%0.283CS..Hα-helixtrans-66-46.6179-55.1-49.7000111.7S672 T673 S675 R680 Q681 A682S672-D678 WeakPolarHBondContact OG-CB 3.41Å; T673-D678 PolarHBondContact N-OD2 3.06Å; S675-D678 VanDerWaalsContact CB-OD2 3.3Å; S675-D678 WeakPolarHBondContact CB-OD2 3.47Å; S675-D678 PolarHBondContact N-OD2 3.14Å; S675-D678 PolarHBondContact O-N 2.93Å; S675-D678 PolarHBondContact OG-N 2.87Å; S675-D678 PolarHBondContact OG-OD2 3Å; D678-R680 VanDerWaalsContact C-N 3.3Å; D678-R680 PolarHBondContact O-N 2.84Å; D678-Q681 PolarHBondContact O-N 3.25Å; D678-A682 WeakPolarHBondContact O-CB 3.46Å; D678-A682 PolarHBondContact O-N 2.66Å
679E89.1Confident74.7Confident34 Ų3445 Ų4516%0.15926%0.26CS..Hα-helixtrans-55.4-48.1175.4168.1177.2-17700110.8T602 S675 Q681 A682 R683 P797T602-E679 HydrophobicContact CG2-CB 4.17Å; T602-E679 VanDerWaalsContact CG2-CD 3.41Å; T602-E679 HydrophobicContact CG2-CG 3.56Å; S675-E679 PolarHBondContact O-N 3Å; E679-Q681 PolarHBondContact O-N 2.75Å; E679-A682 WeakPolarHBondContact O-CB 3.46Å; E679-A682 PolarHBondContact O-N 3.35Å; E679-R683 HydrophobicContact CG-CG 4.41Å; E679-R683 WeakPolarHBondContact O-CG 3.29Å; E679-R683 PolarHBondContact O-N 3.12Å; E679-R683 IonicContact OE1-CZ 2.79Å; E679-R683 VanDerWaalsContact OE1-CZ 3.24Å; E679-R683 IonicContact OE1-NE 2.84Å; E679-R683 PolarHBondContact OE1-NE 3.09Å; E679-R683 IonicContact OE1-NH2 3.84Å; E679-R683 PolarHBondContact OE1-NH2 2.77Å; E679-P797 HydrophobicContact CG-CG 4.09Å
680R92.1Very high77.3Confident21 Ų2143.7 Ų43.78%0.07925%0.252CS..Hα-helixtrans-61.5-45.8-178-172.9-176.8-58.1-99.92.9111.7A676 A677 D678 A682 R683 D684 Y789 S790 N792 A795 P797A676-R680 VanDerWaalsContact O-CB 3.29Å; A676-R680 WeakPolarHBondContact O-CB 3.45Å; A677-R680 PolarHBondContact O-N 3.2Å; D678-R680 VanDerWaalsContact C-N 3.3Å; D678-R680 PolarHBondContact O-N 2.84Å; R680-A682 VanDerWaalsContact C-N 3.32Å; R680-A682 PolarHBondContact O-N 2.73Å; R680-R683 PolarHBondContact O-N 3.02Å; R680-D684 PolarHBondContact O-N 2.71Å; R680-Y789 WeakPolarHBondContact CD-O 3.38Å; R680-Y789 VanDerWaalsContact CG-O 3.24Å; R680-Y789 WeakPolarHBondContact CG-O 3.32Å; R680-Y789 PolarHBondContact NH1-O 3Å; R680-S790 WeakPolarHBondContact CD-OG 3.32Å; R680-S790 WeakPolarHBondContact CG-OG 3.47Å; R680-N792 PolarHBondContact NH1-O 2.76Å; R680-N792 VanDerWaalsContact NH1-O 3.14Å; R680-A795 PolarHBondContact NH1-O 3.07Å; R680-A795 PolarHBondContact NH2-O 3.07Å; R680-P797 HydrophobicContact CB-CG 4.11Å
681Q90.8Very high80Confident112 Ų11242.2 Ų42.252%0.52325%0.247SC..Hα-helixtrans-63.3-39.6175.8-169.21781400111.2A677 D678 E679 D684 N685A677-Q681 PolarHBondContact O-N 2.9Å; D678-Q681 PolarHBondContact O-N 3.25Å; E679-Q681 PolarHBondContact O-N 2.75Å; Q681-D684 PolarHBondContact O-N 3.12Å; Q681-N685 WeakPolarHBondContact O-CB 2.97Å; Q681-N685 PolarHBondContact O-N 3.1Å; Q681-N685 PolarHBondContact O-ND2 2.82Å; Q681-N685 PolarHBondContact O-OD1 3.31Å
682A91.4Very high82.2Confident5 Ų544.5 Ų44.54%0.04126%0.256CS..Hα-helixtrans-64-41.8175.300000112.6F600 Y628 Y630 D678 E679 R680 N685 A686F600-A682 HydrophobicContact CE1-CB 4.15Å; Y628-A682 PolarHBondContact OH-O 3.22Å; Y628-A682 VanDerWaalsContact OH-O 3.1Å; Y630-A682 HydrophobicContact CD1-CB 4.27Å; Y630-A682 HydrophobicContact CD2-CB 3.31Å; Y630-A682 HydrophobicContact CE2-CB 3.68Å; Y630-A682 HydrophobicContact CG-CB 3.63Å; D678-A682 WeakPolarHBondContact O-CB 3.46Å; D678-A682 PolarHBondContact O-N 2.66Å; E679-A682 WeakPolarHBondContact O-CB 3.46Å; E679-A682 PolarHBondContact O-N 3.35Å; R680-A682 VanDerWaalsContact C-N 3.32Å; R680-A682 PolarHBondContact O-N 2.73Å; A682-N685 PolarHBondContact O-N 3.37Å; A682-A686 PolarHBondContact O-N 3.02Å
683R94.8Very high84.3Confident2 Ų248.2 Ų48.21%0.00827%0.269CS..Hα-helixtrans-66.8-40.1177-67.3-174.1-171.3-88.68.9112.5F600 E679 R680 A686 V687 D702 Y789 D798F600-R683 HydrophobicContact CD1-CG 3.95Å; F600-R683 HydrophobicContact CE1-CB 4.26Å; F600-R683 HydrophobicContact CE1-CG 3.56Å; F600-R683 HydrophobicContact CE2-CG 4.2Å; F600-R683 HydrophobicContact CG-CG 4.46Å; F600-R683 HydrophobicContact CZ-CB 4.18Å; F600-R683 HydrophobicContact CZ-CG 3.71Å; E679-R683 HydrophobicContact CG-CG 4.41Å; E679-R683 WeakPolarHBondContact O-CG 3.29Å; E679-R683 PolarHBondContact O-N 3.12Å; E679-R683 IonicContact OE1-CZ 2.79Å; E679-R683 VanDerWaalsContact OE1-CZ 3.24Å; E679-R683 IonicContact OE1-NE 2.84Å; E679-R683 PolarHBondContact OE1-NE 3.09Å; E679-R683 IonicContact OE1-NH2 3.84Å; E679-R683 PolarHBondContact OE1-NH2 2.77Å; R680-R683 PolarHBondContact O-N 3.02Å; R683-A686 PolarHBondContact O-N 3.22Å; R683-V687 PolarHBondContact O-N 3.04Å; R683-D702 IonicContact CZ-OD1 3.91Å; R683-D702 IonicContact CZ-OD2 3.02Å; R683-D702 IonicContact NH1-OD1 2.71Å; R683-D702 PolarHBondContact NH1-OD1 2.87Å; R683-D702 IonicContact NH1-OD2 3.83Å; R683-D702 IonicContact NH2-OD1 3.96Å; R683-D702 PolarHBondContact NH2-OD1 2.86Å; R683-D702 IonicContact NH2-OD2 3.15Å; R683-D702 PolarHBondContact NH2-OD2 2.55Å; R683-Y789 VanDerWaalsContact C-CD2 3.47Å; R683-Y789 HydrophobicContact CB-CD1 3.63Å; R683-Y789 HydrophobicContact CB-CD2 3.47Å; R683-Y789 VanDerWaalsContact CB-CD2 3.47Å; R683-Y789 HydrophobicContact CB-CE1 3.92Å; R683-Y789 HydrophobicContact CB-CE2 3.76Å; R683-Y789 HydrophobicContact CB-CG 3.42Å; R683-Y789 VanDerWaalsContact CB-CG 3.42Å; R683-Y789 VanDerWaalsContact CD-CD1 3.45Å; R683-Y789 HydrophobicContact CG-CD1 4.18Å; R683-Y789 HydrophobicContact CG-CE1 4.26Å; R683-Y789 HydrophobicContact CG-CG 4.43Å; R683-Y789 WeakPolarHBondContact O-CE2 3.47Å; R683-D798 IonicContact CZ-OD1 2.65Å; R683-D798 IonicContact NE-OD1 3.82Å; R683-D798 IonicContact NH1-OD1 2.85Å; R683-D798 IonicContact NH2-OD1 2.75Å
684D96Very high86.7Confident8 Ų847.7 Ų47.74%0.04326%0.261CS..Hα-helixtrans-67-41.8172.6-77.7-31.2000112.2R680 Q681 A686 V687 Q688 N787 P788 Y789 S790R680-D684 PolarHBondContact O-N 2.71Å; Q681-D684 PolarHBondContact O-N 3.12Å; D684-A686 VanDerWaalsContact C-N 3.29Å; D684-A686 PolarHBondContact O-N 2.7Å; D684-V687 WeakPolarHBondContact O-CB 3.3Å; D684-V687 PolarHBondContact O-N 3.49Å; D684-V687 VanDerWaalsContact O-N 3.14Å; D684-Q688 PolarHBondContact O-N 2.73Å; D684-Q688 VanDerWaalsContact O-N 3.11Å; D684-N787 WeakPolarHBondContact OD1-CA 3.23Å; D684-P788 WeakPolarHBondContact OD1-CD 3.44Å; D684-P788 VanDerWaalsContact OD1-N 3.08Å; D684-Y789 WeakPolarHBondContact OD1-CA 3.34Å; D684-Y789 WeakPolarHBondContact OD1-CB 3.3Å; D684-Y789 WeakPolarHBondContact OD1-CD2 3.39Å; D684-Y789 PolarHBondContact OD1-N 3.23Å; D684-S790 WeakPolarHBondContact OD2-CB 3.11Å; D684-S790 PolarHBondContact OD2-N 2.95Å; D684-S790 PolarHBondContact OD2-OG 3.07Å
685N93.2Very high88.7Confident52 Ų5245.8 Ų45.828%0.27824%0.241SC..Hα-helixtrans-59.5-38.3174.8-75.3-17.4000111.8Y628 Q681 A682 V687 Q688 W689Y628-N685 HydrophobicContact CE2-CB 4.37Å; Y628-N685 WeakPolarHBondContact OH-CB 3.42Å; Q681-N685 WeakPolarHBondContact O-CB 2.97Å; Q681-N685 PolarHBondContact O-N 3.1Å; Q681-N685 PolarHBondContact O-ND2 2.82Å; Q681-N685 PolarHBondContact O-OD1 3.31Å; A682-N685 PolarHBondContact O-N 3.37Å; N685-V687 VanDerWaalsContact C-N 3.32Å; N685-V687 PolarHBondContact O-N 3.14Å; N685-Q688 PolarHBondContact O-N 2.81Å; N685-W689 WeakPolarHBondContact O-CB 3.28Å; N685-W689 VanDerWaalsContact O-CD1 3.24Å; N685-W689 PolarHBondContact O-N 2.98Å
686A93.9Very high90.3Very high1 Ų146.1 Ų46.11%0.00824%0.24CC..Hα-helixtrans-63.4-35.9176.600000112.9A598 F600 Y628 A682 R683 D684 C690A598-A686 HydrophobicContact CB-CB 3.81Å; F600-A686 HydrophobicContact CZ-CB 3.81Å; Y628-A686 HydrophobicContact CD1-CB 3.73Å; Y628-A686 HydrophobicContact CD2-CB 4.43Å; Y628-A686 HydrophobicContact CE1-CB 3.8Å; Y628-A686 HydrophobicContact CE2-CB 4.46Å; Y628-A686 HydrophobicContact CG-CB 4.07Å; A682-A686 PolarHBondContact O-N 3.02Å; R683-A686 PolarHBondContact O-N 3.22Å; D684-A686 VanDerWaalsContact C-N 3.29Å; D684-A686 PolarHBondContact O-N 2.7Å; A686-C690 PolarHBondContact O-N 3.48Å
687V96.8Very high92.1Very high3 Ų343.8 Ų43.82%0.01822%0.218CC..Hα-helixtrans-63.2-51172.7170.70000110.2R683 D684 N685 W689 C690 Q691 L698 L782 M785 P788 Y789R683-V687 PolarHBondContact O-N 3.04Å; D684-V687 WeakPolarHBondContact O-CB 3.3Å; D684-V687 PolarHBondContact O-N 3.49Å; D684-V687 VanDerWaalsContact O-N 3.14Å; N685-V687 VanDerWaalsContact C-N 3.32Å; N685-V687 PolarHBondContact O-N 3.14Å; V687-W689 PolarHBondContact O-N 2.92Å; V687-C690 PolarHBondContact O-N 3Å; V687-Q691 WeakPolarHBondContact O-CG 3.46Å; V687-Q691 PolarHBondContact O-N 3.19Å; V687-L698 HydrophobicContact CG2-CD2 3.82Å; V687-L782 HydrophobicContact CG1-CD1 3.92Å; V687-L782 HydrophobicContact CG2-CD1 4.4Å; V687-M785 HydrophobicContact CG1-CB 3.93Å; V687-P788 HydrophobicContact CG2-CG 4.1Å; V687-Y789 HydrophobicContact CG2-CD2 4.47Å; V687-Y789 HydrophobicContact CG2-CE2 3.87Å
688Q94.4Very high93.4Very high84 Ų8440.7 Ų40.739%0.39319%0.192SC..Hα-helixtrans-59.1-45.3177.9-178.5179.6-21.900111.8D684 N685 C690 Q691 E692D684-Q688 PolarHBondContact O-N 2.73Å; D684-Q688 VanDerWaalsContact O-N 3.11Å; N685-Q688 PolarHBondContact O-N 2.81Å; Q688-C690 VanDerWaalsContact C-N 3.26Å; Q688-C690 PolarHBondContact O-N 3.14Å; Q688-Q691 WeakPolarHBondContact O-CB 3.35Å; Q688-Q691 PolarHBondContact O-N 3.16Å; Q688-Q691 VanDerWaalsContact O-N 3.11Å; Q688-E692 HydrophobicContact CG-CG 4.23Å; Q688-E692 WeakPolarHBondContact CG-OE1 3.23Å; Q688-E692 PolarHBondContact NE2-OE1 3.12Å; Q688-E692 WeakPolarHBondContact O-CG 3.25Å; Q688-E692 PolarHBondContact O-N 2.69Å
689W90.8Very high94.3Very high57 Ų5739.3 Ų39.322%0.21619%0.185CC..Hα-helixtrans-56.9-38.2178.8-98.266.1000113.7Y628 E655 N685 V687 R693Y628-W689 HydrophobicContact CD2-CB 4.22Å; Y628-W689 HydrophobicContact CD2-CD2 4.03Å; Y628-W689 HydrophobicContact CD2-CE3 4.41Å; Y628-W689 AromaticContact CD2-CG 3.9Å; Y628-W689 HydrophobicContact CD2-CG 3.9Å; Y628-W689 HydrophobicContact CE2-CD2 4.35Å; Y628-W689 HydrophobicContact CE2-CG 4.04Å; E655-W689 HydrophobicContact CB-CE3 4.25Å; E655-W689 HydrophobicContact CB-CH2 3.68Å; E655-W689 HydrophobicContact CB-CZ3 3.43Å; E655-W689 VanDerWaalsContact CB-CZ3 3.43Å; E655-W689 VanDerWaalsContact CD-CH2 3.44Å; E655-W689 HydrophobicContact CG-CH2 3.69Å; E655-W689 HydrophobicContact CG-CZ3 3.46Å; E655-W689 VanDerWaalsContact CG-CZ3 3.46Å; E655-W689 WeakPolarHBondContact OE1-CH2 2.87Å; N685-W689 WeakPolarHBondContact O-CB 3.28Å; N685-W689 VanDerWaalsContact O-CD1 3.24Å; N685-W689 PolarHBondContact O-N 2.98Å; V687-W689 PolarHBondContact O-N 2.92Å; W689-R693 WeakPolarHBondContact O-CD 3.28Å; W689-R693 PolarHBondContact O-N 2.73Å; W689-R693 PolarHBondContact O-NH1 3.27Å; W689-R693 VanDerWaalsContact O-NH1 3.15Å
690C94.2Very high94.7Very high0 Ų037.8 Ų37.80%018%0.178CC..Hα-helixtrans-72.7-42.4176.8-153.60000111.2V596 A686 V687 Q688 R693 N694 C695 L698 L782V596-C690 HydrophobicContact CB-CB 4.27Å; V596-C690 VanDerWaalsContact CB-SG 3.55Å; V596-C690 HydrophobicContact CG2-CB 4.19Å; V596-C690 VanDerWaalsContact CG2-SG 3.58Å; A686-C690 PolarHBondContact O-N 3.48Å; V687-C690 PolarHBondContact O-N 3Å; Q688-C690 VanDerWaalsContact C-N 3.26Å; Q688-C690 PolarHBondContact O-N 3.14Å; C690-R693 PolarHBondContact O-N 3.07Å; C690-N694 PolarHBondContact O-N 3.35Å; C690-C695 VanDerWaalsContact CA-SG 3.56Å; C690-C695 HydrophobicContact CB-CB 4.19Å; C690-C695 WeakPolarHBondContact CB-SG 3.46Å; C690-C695 WeakPolarHBondContact O-CB 3.31Å; C690-C695 PolarHBondContact O-N 3.48Å; C690-C695 PolarHBondContact O-SG 3.26Å; C690-C695 WeakPolarHBondContact SG-CB 2.98Å; C690-C695 CovalentContact SG-SG 2.02Å; C690-C695 PolarHBondContact SG-SG 3.41Å; C690-L698 HydrophobicContact CB-CB 4.49Å; C690-L698 HydrophobicContact CB-CD1 4.17Å; C690-L782 HydrophobicContact CB-CD2 4.03Å
691Q95.5Very high95Very high67 Ų6736.8 Ų36.831%0.31317%0.174SC..Hα-helixtrans-60.2-49175.6-69.4169.7-16.400112.1V687 Q688 R693 N694 L782 M785V687-Q691 WeakPolarHBondContact O-CG 3.46Å; V687-Q691 PolarHBondContact O-N 3.19Å; Q688-Q691 WeakPolarHBondContact O-CB 3.35Å; Q688-Q691 PolarHBondContact O-N 3.16Å; Q688-Q691 VanDerWaalsContact O-N 3.11Å; Q691-R693 PolarHBondContact O-N 3.17Å; Q691-N694 PolarHBondContact O-N 2.9Å; Q691-L782 HydrophobicContact CG-CG 4.47Å; Q691-L782 PolarHBondContact NE2-O 3.29Å; Q691-M785 PolarHBondContact NE2-O 2.84Å
692E93.2Very high95.3Very high113 Ų11331.9 Ų31.953%0.52815%0.151SC..Hα-helixtrans-57.9-31.4178.4-73.8172.7175.700113Q688 N694Q688-E692 HydrophobicContact CG-CG 4.23Å; Q688-E692 WeakPolarHBondContact CG-OE1 3.23Å; Q688-E692 PolarHBondContact NE2-OE1 3.12Å; Q688-E692 WeakPolarHBondContact O-CG 3.25Å; Q688-E692 PolarHBondContact O-N 2.69Å; E692-N694 VanDerWaalsContact C-N 3.35Å
693R91.5Very high95.5Very high87 Ų8731.7 Ų31.733%0.32815%0.15SC..THydrogen-bonded Turntrans-93.87.8179.5-71.2164.7-176.364.38.2113.1F653 W689 C690 Q691 C695F653-R693 VanDerWaalsContact CZ-CD 3.41Å; W689-R693 WeakPolarHBondContact O-CD 3.28Å; W689-R693 PolarHBondContact O-N 2.73Å; W689-R693 PolarHBondContact O-NH1 3.27Å; W689-R693 VanDerWaalsContact O-NH1 3.15Å; C690-R693 PolarHBondContact O-N 3.07Å; Q691-R693 PolarHBondContact O-N 3.17Å; R693-C695 PolarHBondContact O-N 2.91Å
694N93.7Very high95.5Very high114 Ų11432 Ų3261%0.6115%0.152SC*.THydrogen-bonded Turntrans51.937.5-179.8-170.732.1000112.8C690 Q691 E692 K779C690-N694 PolarHBondContact O-N 3.35Å; Q691-N694 PolarHBondContact O-N 2.9Å; E692-N694 VanDerWaalsContact C-N 3.35Å; N694-K779 WeakPolarHBondContact O-CE 3.33Å; N694-K779 PolarHBondContact O-NZ 3.38Å; N694-K779 WeakPolarHBondContact OD1-CE 3.48Å; N694-K779 PolarHBondContact OD1-NZ 2.9Å; N694-K779 VanDerWaalsContact OD1-NZ 3.09Å
695C95.2Very high95.6Very high3 Ų331.6 Ų31.62%0.0215%0.15CC..  trans-60.6154.6-178.473.30000112.1F594 V596 C690 R693 K779 L782F594-C695 HydrophobicContact CD1-CB 4.14Å; V596-C695 HydrophobicContact CG2-CB 3.95Å; C690-C695 VanDerWaalsContact CA-SG 3.56Å; C690-C695 HydrophobicContact CB-CB 4.19Å; C690-C695 WeakPolarHBondContact CB-SG 3.46Å; C690-C695 WeakPolarHBondContact O-CB 3.31Å; C690-C695 PolarHBondContact O-N 3.48Å; C690-C695 PolarHBondContact O-SG 3.26Å; C690-C695 WeakPolarHBondContact SG-CB 2.98Å; C690-C695 CovalentContact SG-SG 2.02Å; C690-C695 PolarHBondContact SG-SG 3.41Å; R693-C695 PolarHBondContact O-N 2.91Å; C695-K779 WeakPolarHBondContact O-CD 3.37Å; C695-K779 WeakPolarHBondContact O-CE 3.36Å; C695-K779 WeakPolarHBondContact O-CG 3.5Å; C695-K779 PolarHBondContact O-NZ 2.82Å; C695-L782 WeakPolarHBondContact SG-CD2 3.37Å
696D97.9Very high95.8Very high45 Ų4529.6 Ų29.624%0.24114%0.138CC..SBendtrans-89.6-31175.7-60.2-48.6000112P593 F594 K779P593-D696 HydrophobicContact CB-CB 3.76Å; F594-D696 PolarHBondContact N-OD2 2.67Å; F594-D696 PolarHBondContact O-N 2.86Å; D696-K779 WeakPolarHBondContact O-CB 3.37Å; D696-K779 PolarHBondContact O-N 3.06Å; D696-K779 IonicContact OD1-NZ 3.65Å; D696-K779 PolarHBondContact OD1-NZ 3.03Å
697Y98.5Very high95.9Very high13 Ų1329.9 Ų29.95%0.05114%0.139CC..EExtended strand (participates in β ladder)trans-142.5145.9175-61.9-87.9000112.9L583 P593 F594 V595 V596 I717 L776 V777 R778L583-Y697 WeakPolarHBondContact CD1-OH 3.24Å; P593-Y697 HydrophobicContact CB-CD2 3.75Å; P593-Y697 HydrophobicContact CB-CE2 3.65Å; P593-Y697 HydrophobicContact CG-CE2 3.97Å; F594-Y697 PolarHBondContact O-N 2.9Å; V595-Y697 WeakPolarHBondContact CA-O 3.43Å; V596-Y697 PolarHBondContact N-O 3.31Å; Y697-I717 HydrophobicContact CD2-CD1 4.25Å; Y697-I717 HydrophobicContact CD2-CG1 4.07Å; Y697-I717 HydrophobicContact CE2-CD1 4.44Å; Y697-I717 HydrophobicContact CE2-CG1 4.03Å; Y697-I717 HydrophobicContact CE2-CG2 3.94Å; Y697-I717 HydrophobicContact CG-CG1 4.37Å; Y697-L776 HydrophobicContact CD1-CD1 4.22Å; Y697-L776 HydrophobicContact CD1-CD2 3.69Å; Y697-L776 HydrophobicContact CD1-CG 3.77Å; Y697-L776 HydrophobicContact CE1-CD2 4.1Å; Y697-L776 HydrophobicContact CG-CD1 4.21Å; Y697-L776 HydrophobicContact CG-CD2 4.24Å; Y697-L776 HydrophobicContact CG-CG 4.26Å; Y697-V777 WeakPolarHBondContact CA-O 3.48Å; Y697-R778 HydrophobicContact CD1-CB 4.2Å; Y697-R778 HydrophobicContact CD1-CG 4.4Å; Y697-R778 HydrophobicContact CE1-CB 3.85Å; Y697-R778 HydrophobicContact CE1-CG 3.73Å
698L98.5Very high95.8Very high1 Ų133.8 Ų33.81%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-105.9117.3164178.165.2000108.6V596 A598 V687 C690 V700 L776 V777 L782V596-L698 HydrophobicContact CB-CD1 4.26Å; V596-L698 HydrophobicContact CG1-CD1 4.26Å; V596-L698 CarbonylContact O-C 3.54Å; V596-L698 WeakPolarHBondContact O-CA 3.47Å; A598-L698 HydrophobicContact CB-CD1 3.9Å; V687-L698 HydrophobicContact CG2-CD2 3.82Å; C690-L698 HydrophobicContact CB-CB 4.49Å; C690-L698 HydrophobicContact CB-CD1 4.17Å; L698-V700 HydrophobicContact CD2-CG2 4.16Å; L698-V700 HydrophobicContact CG-CG2 4.12Å; L698-L776 CarbonylContact O-C 3.56Å; L698-L776 WeakPolarHBondContact O-CA 3.47Å; L698-V777 HydrophobicContact CB-CB 4.36Å; L698-V777 PolarHBondContact N-O 3.44Å; L698-V777 PolarHBondContact O-N 2.75Å; L698-L782 HydrophobicContact CB-CD1 4.09Å; L698-L782 HydrophobicContact CB-CD2 3.88Å; L698-L782 HydrophobicContact CD2-CD1 3.85Å
699L98.6Very high95.8Very high4 Ų434.3 Ų34.32%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-96.9105.5170.2176.966.8000108.6V595 V596 L597 A598 L618 W701 L713 L774 L776V595-L699 HydrophobicContact CG1-CB 4.06Å; V596-L699 PolarHBondContact O-N 3.35Å; L597-L699 CarbonylContact C-O 3.5Å; L597-L699 WeakPolarHBondContact CA-O 3.26Å; L597-L699 HydrophobicContact CD1-CD2 4.11Å; L597-L699 HydrophobicContact CG-CD2 4.11Å; A598-L699 PolarHBondContact N-O 2.82Å; L618-L699 HydrophobicContact CD1-CD2 4.49Å; L699-W701 HydrophobicContact CD2-CE3 4.15Å; L699-L713 HydrophobicContact CD2-CD1 4.28Å; L699-L713 HydrophobicContact CD2-CD2 4.48Å; L699-L774 HydrophobicContact CD1-CD2 3.71Å; L699-L776 HydrophobicContact CB-CD1 3.9Å; L699-L776 HydrophobicContact CD1-CB 4.5Å; L699-L776 HydrophobicContact CD1-CD1 4.15Å
700V98.4Very high96.1Very high1 Ų134.5 Ų34.51%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-82.3132.8170.7178.40000108.4F600 L698 L774 Y775F600-V700 HydrophobicContact CD2-CG1 3.95Å; F600-V700 HydrophobicContact CE2-CG1 3.92Å; L698-V700 HydrophobicContact CD2-CG2 4.16Å; L698-V700 HydrophobicContact CG-CG2 4.12Å; V700-L774 VanDerWaalsContact O-CA 3.29Å; V700-L774 WeakPolarHBondContact O-CA 3.37Å; V700-Y775 HydrophobicContact CB-CD2 4.04Å; V700-Y775 HydrophobicContact CB-CE1 4.21Å; V700-Y775 HydrophobicContact CB-CE2 3.7Å; V700-Y775 HydrophobicContact CB-CG 4.44Å; V700-Y775 HydrophobicContact CG1-CE1 4Å; V700-Y775 HydrophobicContact CG1-CE2 4.14Å; V700-Y775 HydrophobicContact CG2-CD2 4.19Å; V700-Y775 HydrophobicContact CG2-CE2 3.62Å; V700-Y775 PolarHBondContact N-O 2.98Å; V700-Y775 PolarHBondContact O-N 3.07Å
701W98.1Very high96.3Very high0 Ų036.2 Ų36.20%017%0.174CC..EExtended strand (participates in β ladder)trans-149.1111.2-179.5-167.7-11.8000112.2L597 A598 S599 F600 Y611 N614 L615 L618 L699 A705 L707 M773 L774L597-W701 HydrophobicContact CD1-CE3 4.24Å; A598-W701 PolarHBondContact O-N 3.31Å; S599-W701 WeakPolarHBondContact CA-O 3.25Å; F600-W701 PolarHBondContact N-O 2.9Å; F600-W701 VanDerWaalsContact N-O 3.12Å; Y611-W701 AromaticContact CE2-CD1 3.69Å; Y611-W701 HydrophobicContact CE2-CD2 4.4Å; Y611-W701 HydrophobicContact CE2-CG 4.16Å; Y611-W701 AromaticContact CE2-NE1 3.59Å; Y611-W701 PolarHBondContact OH-O 2.9Å; N614-W701 HydrophobicContact CB-CH2 4.46Å; N614-W701 HydrophobicContact CB-CZ2 4.39Å; N614-W701 WeakPolarHBondContact OD1-CZ2 3.33Å; L615-W701 HydrophobicContact CD2-CD2 3.57Å; L615-W701 HydrophobicContact CD2-CE3 3.37Å; L615-W701 HydrophobicContact CD2-CG 4.29Å; L615-W701 HydrophobicContact CD2-CH2 3.75Å; L615-W701 HydrophobicContact CD2-CZ2 3.96Å; L615-W701 HydrophobicContact CD2-CZ3 3.46Å; L615-W701 VanDerWaalsContact CD2-CZ3 3.46Å; L618-W701 HydrophobicContact CD1-CZ3 3.92Å; L618-W701 HydrophobicContact CD2-CH2 4.35Å; L618-W701 HydrophobicContact CD2-CZ3 3.98Å; L618-W701 HydrophobicContact CG-CZ3 4.02Å; L699-W701 HydrophobicContact CD2-CE3 4.15Å; W701-A705 PolarHBondContact NE1-O 3.22Å; W701-A705 VanDerWaalsContact NE1-O 3.07Å; W701-L707 HydrophobicContact CH2-CB 4.31Å; W701-L707 HydrophobicContact CH2-CD1 3.51Å; W701-L707 HydrophobicContact CH2-CG 3.93Å; W701-L707 HydrophobicContact CZ2-CB 4.29Å; W701-L707 HydrophobicContact CZ2-CD1 3.89Å; W701-L707 HydrophobicContact CZ2-CG 3.81Å; W701-L707 HydrophobicContact CZ3-CD1 3.9Å; W701-M773 CarbonylContact C-O 3.5Å; W701-M773 WeakPolarHBondContact CA-O 3.27Å; W701-L774 HydrophobicContact CB-CG 4.25Å; W701-L774 HydrophobicContact CD2-CD1 3.72Å; W701-L774 HydrophobicContact CD2-CG 4.16Å; W701-L774 HydrophobicContact CE3-CD1 4.35Å; W701-L774 HydrophobicContact CG-CD1 3.85Å; W701-L774 HydrophobicContact CG-CG 3.88Å; W701-L774 HydrophobicContact CZ2-CD1 4.23Å
702D97.2Very high96.4Very high9 Ų933.1 Ų33.15%0.04816%0.159CC..EExtended strand (participates in β ladder)trans-85.4152178.5-69.321.7000112.8F600 R683 N704 A705 M773F600-D702 WeakPolarHBondContact O-CA 3.07Å; R683-D702 IonicContact CZ-OD1 3.91Å; R683-D702 IonicContact CZ-OD2 3.02Å; R683-D702 IonicContact NH1-OD1 2.71Å; R683-D702 PolarHBondContact NH1-OD1 2.87Å; R683-D702 IonicContact NH1-OD2 3.83Å; R683-D702 IonicContact NH2-OD1 3.96Å; R683-D702 PolarHBondContact NH2-OD1 2.86Å; R683-D702 IonicContact NH2-OD2 3.15Å; R683-D702 PolarHBondContact NH2-OD2 2.55Å; D702-N704 PolarHBondContact O-N 2.96Å; D702-A705 PolarHBondContact O-N 3.2Å; D702-A705 VanDerWaalsContact O-N 3.08Å; D702-M773 PolarHBondContact N-O 3.35Å
703A95.8Very high96.6Very high2 Ų227.9 Ų27.92%0.01714%0.135CC..THydrogen-bonded Turntrans-63.4-9.3-173.200000116.2F600 I601 Y611 R706F600-A703 PolarHBondContact O-N 2.96Å; I601-A703 HydrophobicContact CB-CB 4.16Å; I601-A703 HydrophobicContact CG1-CB 3.88Å; I601-A703 HydrophobicContact CG2-CB 4.01Å; Y611-A703 HydrophobicContact CD1-CB 4.49Å; Y611-A703 HydrophobicContact CE1-CB 4.44Å; A703-R706 PolarHBondContact O-NH1 2.86Å; A703-R706 PolarHBondContact O-NH2 2.95Å
704N95Very high96.9Very high8 Ų825 Ų254%0.04313%0.125CC..THydrogen-bonded Turntrans-102.93.4176.763.62.6000114D702 S823 L824 D826D702-N704 PolarHBondContact O-N 2.96Å; N704-S823 WeakPolarHBondContact O-CA 3.35Å; N704-L824 HydrophobicContact CB-CB 4.48Å; N704-L824 PolarHBondContact O-N 3.43Å; N704-D826 PolarHBondContact ND2-OD2 3.49Å
705A97.4Very high97.1Very high0 Ų021 Ų210%010%0.103CC..EExtended strand (participates in β ladder)trans-93.6133.9169.100000111.8W701 D702 L728 M773 L774W701-A705 PolarHBondContact NE1-O 3.22Å; W701-A705 VanDerWaalsContact NE1-O 3.07Å; D702-A705 PolarHBondContact O-N 3.2Å; D702-A705 VanDerWaalsContact O-N 3.08Å; A705-L728 HydrophobicContact CB-CD1 3.5Å; A705-L728 VanDerWaalsContact CB-CD1 3.5Å; A705-M773 HydrophobicContact CB-CB 4.24Å; A705-L774 HydrophobicContact CB-CB 4.11Å; A705-L774 HydrophobicContact CB-CD1 4.2Å
706R96.7Very high97.2Very high9 Ų920.9 Ų20.93%0.03410%0.103CC..EExtended strand (participates in β ladder)trans-123.1133.5174.1-64.2-67171-76.5-5.9110.3P606 F607 A703 G821 R822 L824 E847P606-R706 PolarHBondContact O-NH2 3.13Å; F607-R706 PolarHBondContact O-NH2 3.3Å; A703-R706 PolarHBondContact O-NH1 2.86Å; A703-R706 PolarHBondContact O-NH2 2.95Å; R706-G821 CarbonylContact O-C 3.54Å; R706-G821 WeakPolarHBondContact O-CA 3.37Å; R706-R822 HydrophobicContact CB-CG 4.25Å; R706-R822 PolarHBondContact N-O 2.86Å; R706-R822 PolarHBondContact O-N 2.92Å; R706-L824 HydrophobicContact CG-CD1 4.05Å; R706-L824 HydrophobicContact CG-CD2 3.92Å; R706-L824 HydrophobicContact CG-CG 4.02Å; R706-E847 HydrophobicContact CG-CG 4.22Å
707L97.1Very high97.2Very high7 Ų718.8 Ų18.84%0.0379%0.092CC..EExtended strand (participates in β ladder)trans-103.6129.5172.8-66.6-177.8000110.4N614 L618 W701 T712 P726 L728 L774 Y820N614-L707 PolarHBondContact ND2-O 3.43Å; N614-L707 PolarHBondContact OD1-N 3.25Å; N614-L707 PolarHBondContact OD1-O 3.35Å; L618-L707 HydrophobicContact CD2-CD1 4.24Å; W701-L707 HydrophobicContact CH2-CB 4.31Å; W701-L707 HydrophobicContact CH2-CD1 3.51Å; W701-L707 HydrophobicContact CH2-CG 3.93Å; W701-L707 HydrophobicContact CZ2-CB 4.29Å; W701-L707 HydrophobicContact CZ2-CD1 3.89Å; W701-L707 HydrophobicContact CZ2-CG 3.81Å; W701-L707 HydrophobicContact CZ3-CD1 3.9Å; L707-T712 HydrophobicContact CD1-CG2 3.73Å; L707-T712 HydrophobicContact CD2-CG2 3.91Å; L707-T712 HydrophobicContact CG-CG2 4.49Å; L707-P726 HydrophobicContact CD2-CG 4.46Å; L707-L728 HydrophobicContact CD2-CD2 4.1Å; L707-L774 HydrophobicContact CD1-CD1 3.95Å; L707-L774 HydrophobicContact CD2-CD1 3.79Å; L707-L774 HydrophobicContact CG-CD1 3.8Å; L707-Y820 CarbonylContact C-O 3.56Å; L707-Y820 WeakPolarHBondContact CA-O 3.39Å
708E94.1Very high97.1Very high86 Ų8621 Ų2140%0.40210%0.102SC..SBendtrans-84.5-17.9168.8-68.9-177.214200111.8P710 Y820 R822E708-P710 WeakPolarHBondContact O-CD 3.45Å; E708-Y820 PolarHBondContact N-O 3.22Å; E708-R822 IonicContact OE1-CZ 2.78Å; E708-R822 IonicContact OE1-NH1 3.95Å; E708-R822 PolarHBondContact OE1-NH1 2.74Å; E708-R822 IonicContact OE1-NH2 3.29Å; E708-R822 PolarHBondContact OE1-NH2 3.39Å; E708-R822 IonicContact OE2-NH1 2.74Å
709R95.3Very high97Very high94 Ų9422.3 Ų22.336%0.35511%0.106SC..  trans-107110.5-174.1-73-160.770.794.40.3113.2D711 T712 E819R709-D711 WeakPolarHBondContact CB-OD1 3.29Å; R709-D711 IonicContact CZ-OD1 2.74Å; R709-D711 IonicContact CZ-OD2 2.69Å; R709-D711 IonicContact NE-OD1 3.85Å; R709-D711 PolarHBondContact NE-OD1 2.99Å; R709-D711 IonicContact NE-OD2 3.99Å; R709-D711 VanDerWaalsContact NH2-CG 3.29Å; R709-D711 IonicContact NH2-OD1 3.33Å; R709-D711 PolarHBondContact NH2-OD1 3.31Å; R709-D711 VanDerWaalsContact NH2-OD1 3.1Å; R709-D711 IonicContact NH2-OD2 3.02Å; R709-D711 PolarHBondContact NH2-OD2 2.81Å; R709-D711 PolarHBondContact O-N 3.4Å; R709-T712 WeakPolarHBondContact CB-OG1 3.22Å; R709-T712 WeakPolarHBondContact O-CB 3.34Å; R709-T712 PolarHBondContact O-N 2.89Å; R709-T712 PolarHBondContact O-OG1 3.06Å; R709-E819 VanDerWaalsContact CD-O 3.29Å; R709-E819 WeakPolarHBondContact CD-O 3.29Å
710P97Very high96.9Very high61 Ų6123 Ų2340%0.39611%0.11SC..THydrogen-bonded Turntrans-56.2-31.6173.4-30.438.4000114.8S617 S619 E708 T712S617-P710 WeakPolarHBondContact O-CB 3.37Å; S619-P710 PolarHBondContact N-O 3.23Å; E708-P710 WeakPolarHBondContact O-CD 3.45Å; P710-T712 VanDerWaalsContact C-N 3.33Å; P710-T712 PolarHBondContact O-N 2.72Å
711D97.3Very high96.7Very high36 Ų3624 Ų2419%0.19312%0.115CC..THydrogen-bonded Turntrans-85.72.6-175.568.2-32.1000114.3R709 L713 Q714 L715R709-D711 WeakPolarHBondContact CB-OD1 3.29Å; R709-D711 IonicContact CZ-OD1 2.74Å; R709-D711 IonicContact CZ-OD2 2.69Å; R709-D711 IonicContact NE-OD1 3.85Å; R709-D711 PolarHBondContact NE-OD1 2.99Å; R709-D711 IonicContact NE-OD2 3.99Å; R709-D711 VanDerWaalsContact NH2-CG 3.29Å; R709-D711 IonicContact NH2-OD1 3.33Å; R709-D711 PolarHBondContact NH2-OD1 3.31Å; R709-D711 VanDerWaalsContact NH2-OD1 3.1Å; R709-D711 IonicContact NH2-OD2 3.02Å; R709-D711 PolarHBondContact NH2-OD2 2.81Å; R709-D711 PolarHBondContact O-N 3.4Å; D711-L713 VanDerWaalsContact C-N 3.29Å; D711-L713 PolarHBondContact O-N 2.82Å; D711-L713 VanDerWaalsContact O-N 3.16Å; D711-Q714 WeakPolarHBondContact O-CB 3.44Å; D711-Q714 PolarHBondContact O-N 3.44Å; D711-L715 PolarHBondContact O-N 3.18Å; D711-L715 VanDerWaalsContact O-N 3.16Å
712T98.1Very high96.6Very high2 Ų224.3 Ų24.31%0.01212%0.117CC..Hα-helixtrans-49-45.5-175.8-64.60000113.5L707 R709 P710 Q714 L715 L716 P726 Y820L707-T712 HydrophobicContact CD1-CG2 3.73Å; L707-T712 HydrophobicContact CD2-CG2 3.91Å; L707-T712 HydrophobicContact CG-CG2 4.49Å; R709-T712 WeakPolarHBondContact CB-OG1 3.22Å; R709-T712 WeakPolarHBondContact O-CB 3.34Å; R709-T712 PolarHBondContact O-N 2.89Å; R709-T712 PolarHBondContact O-OG1 3.06Å; P710-T712 VanDerWaalsContact C-N 3.33Å; P710-T712 PolarHBondContact O-N 2.72Å; T712-Q714 VanDerWaalsContact C-N 3.31Å; T712-Q714 PolarHBondContact O-N 3.28Å; T712-L715 WeakPolarHBondContact O-CB 3.27Å; T712-L715 PolarHBondContact O-N 2.89Å; T712-L715 VanDerWaalsContact O-N 3.14Å; T712-L716 HydrophobicContact CG2-CD1 3.82Å; T712-L716 HydrophobicContact CG2-CG 4.18Å; T712-L716 WeakPolarHBondContact O-CG 3.35Å; T712-L716 PolarHBondContact O-N 2.76Å; T712-P726 HydrophobicContact CG2-CG 4.37Å; T712-Y820 HydrophobicContact CG2-CD1 3.63Å; T712-Y820 HydrophobicContact CG2-CE1 4.03Å
713L98Very high96.7Very high3 Ų323.9 Ų23.92%0.01611%0.114CC..Hα-helixtrans-61.4-39.1-179.7177.654.9000112.1V595 Y620 M625 L699 D711 I717 L776V595-L713 HydrophobicContact CB-CD2 4.45Å; V595-L713 HydrophobicContact CG1-CD1 4.25Å; V595-L713 HydrophobicContact CG1-CD2 4.17Å; V595-L713 HydrophobicContact CG2-CD1 4.48Å; V595-L713 HydrophobicContact CG2-CD2 4.25Å; Y620-L713 HydrophobicContact CD1-CD2 4.09Å; Y620-L713 HydrophobicContact CD2-CB 4.39Å; Y620-L713 HydrophobicContact CD2-CD2 3.82Å; Y620-L713 HydrophobicContact CD2-CG 3.9Å; Y620-L713 HydrophobicContact CE1-CD2 4.48Å; Y620-L713 HydrophobicContact CE2-CD2 4.23Å; Y620-L713 HydrophobicContact CE2-CG 4.12Å; Y620-L713 HydrophobicContact CG-CD2 3.74Å; Y620-L713 HydrophobicContact CG-CG 4.33Å; M625-L713 HydrophobicContact CE-CD2 3.71Å; M625-L713 HydrophobicContact SD-CD2 4.26Å; L699-L713 HydrophobicContact CD2-CD1 4.28Å; L699-L713 HydrophobicContact CD2-CD2 4.48Å; D711-L713 VanDerWaalsContact C-N 3.29Å; D711-L713 PolarHBondContact O-N 2.82Å; D711-L713 VanDerWaalsContact O-N 3.16Å; L713-I717 HydrophobicContact CD1-CD1 3.85Å; L713-I717 HydrophobicContact CD1-CG1 4.16Å; L713-I717 HydrophobicContact CG-CD1 4Å; L713-I717 VanDerWaalsContact O-CG1 3.3Å; L713-I717 WeakPolarHBondContact O-CG1 3.41Å; L713-I717 PolarHBondContact O-N 2.81Å; L713-L776 HydrophobicContact CD1-CD1 3.66Å; L713-L776 HydrophobicContact CD1-CD2 4.46Å
714Q97.6Very high96.8Very high27 Ų2723.9 Ų23.913%0.12611%0.114CC..Hα-helixtrans-63.1-45.2174.4-54.2-179.123.300111.2L585 W592 S619 Y620 D711 T712 L716 I717 K718L585-Q714 HydrophobicContact CD1-CB 3.94Å; L585-Q714 HydrophobicContact CD1-CG 4.09Å; W592-Q714 HydrophobicContact CH2-CG 4.1Å; W592-Q714 HydrophobicContact CZ3-CG 3.82Å; S619-Q714 PolarHBondContact O-NE2 3.42Å; Y620-Q714 HydrophobicContact CD2-CG 4.11Å; D711-Q714 WeakPolarHBondContact O-CB 3.44Å; D711-Q714 PolarHBondContact O-N 3.44Å; T712-Q714 VanDerWaalsContact C-N 3.31Å; T712-Q714 PolarHBondContact O-N 3.28Å; Q714-L716 PolarHBondContact O-N 2.92Å; Q714-I717 PolarHBondContact O-N 3.04Å; Q714-K718 WeakPolarHBondContact O-CB 3.39Å; Q714-K718 WeakPolarHBondContact O-CD 3.4Å; Q714-K718 WeakPolarHBondContact O-CG 3.27Å; Q714-K718 PolarHBondContact O-N 2.91Å
715L97Very high97Very high29 Ų2923.5 Ų23.515%0.15211%0.112CC..Hα-helixtrans-60.9-45.4-179.7-65.3173.5000111.2D711 T712 K718 R719 V818 Y820D711-L715 PolarHBondContact O-N 3.18Å; D711-L715 VanDerWaalsContact O-N 3.16Å; T712-L715 WeakPolarHBondContact O-CB 3.27Å; T712-L715 PolarHBondContact O-N 2.89Å; T712-L715 VanDerWaalsContact O-N 3.14Å; L715-K718 PolarHBondContact O-N 2.78Å; L715-R719 WeakPolarHBondContact O-CG 3.1Å; L715-R719 PolarHBondContact O-N 2.69Å; L715-V818 HydrophobicContact CD1-CG2 4.16Å; L715-Y820 HydrophobicContact CB-CE1 4.16Å; L715-Y820 HydrophobicContact CD1-CE1 3.9Å
716L97.9Very high97Very high1 Ų123.5 Ų23.51%0.00511%0.112CC..Hα-helixtrans-64.6-41.4178.4-64.9174.5000112.3T712 Q714 R719 V724 P726 L774 L776T712-L716 HydrophobicContact CG2-CD1 3.82Å; T712-L716 HydrophobicContact CG2-CG 4.18Å; T712-L716 WeakPolarHBondContact O-CG 3.35Å; T712-L716 PolarHBondContact O-N 2.76Å; Q714-L716 PolarHBondContact O-N 2.92Å; L716-R719 PolarHBondContact O-N 2.87Å; L716-V724 HydrophobicContact CB-CG1 4.25Å; L716-V724 HydrophobicContact CD2-CG1 4.2Å; L716-V724 HydrophobicContact CD2-CG2 4.01Å; L716-P726 HydrophobicContact CD1-CG 4.24Å; L716-P726 HydrophobicContact CD2-CB 4.3Å; L716-L774 HydrophobicContact CD1-CD2 4.42Å; L716-L776 HydrophobicContact CB-CB 4.4Å; L716-L776 HydrophobicContact CB-CD2 3.82Å; L716-L776 HydrophobicContact CD1-CB 4.48Å
717I97.9Very high97.1Very high1 Ų124 Ų241%0.00512%0.115CC..Hα-helixtrans-61.7-46.4174-70.5167.2000110.5L585 P593 V595 Y620 Y697 L713 Q714 R719 N720 L776L585-I717 HydrophobicContact CD2-CG2 3.92Å; P593-I717 HydrophobicContact CG-CG2 4.34Å; V595-I717 HydrophobicContact CG2-CD1 4.12Å; Y620-I717 HydrophobicContact CE2-CD1 3.65Å; Y620-I717 WeakPolarHBondContact OH-CD1 3.04Å; Y697-I717 HydrophobicContact CD2-CD1 4.25Å; Y697-I717 HydrophobicContact CD2-CG1 4.07Å; Y697-I717 HydrophobicContact CE2-CD1 4.44Å; Y697-I717 HydrophobicContact CE2-CG1 4.03Å; Y697-I717 HydrophobicContact CE2-CG2 3.94Å; Y697-I717 HydrophobicContact CG-CG1 4.37Å; L713-I717 HydrophobicContact CD1-CD1 3.85Å; L713-I717 HydrophobicContact CD1-CG1 4.16Å; L713-I717 HydrophobicContact CG-CD1 4Å; L713-I717 VanDerWaalsContact O-CG1 3.3Å; L713-I717 WeakPolarHBondContact O-CG1 3.41Å; L713-I717 PolarHBondContact O-N 2.81Å; Q714-I717 PolarHBondContact O-N 3.04Å; I717-R719 PolarHBondContact O-N 3.22Å; I717-R719 VanDerWaalsContact O-N 3.12Å; I717-N720 PolarHBondContact O-N 3.01Å; I717-L776 HydrophobicContact CG1-CD2 3.67Å
718K96.9Very high97.1Very high61 Ų6123.7 Ų23.727%0.26511%0.113SC..Hα-helixtrans-59-23.8178.8-71.1167.5-177.7172.50113Q582 L583 L585 Q714 L715 N720Q582-K718 VanDerWaalsContact CA-O 3.27Å; Q582-K718 WeakPolarHBondContact CA-O 3.41Å; Q582-K718 WeakPolarHBondContact CB-O 3.3Å; L583-K718 PolarHBondContact N-O 2.94Å; L583-K718 WeakPolarHBondContact O-CG 3.43Å; L585-K718 HydrophobicContact CG-CG 4.43Å; Q714-K718 WeakPolarHBondContact O-CB 3.39Å; Q714-K718 WeakPolarHBondContact O-CD 3.4Å; Q714-K718 WeakPolarHBondContact O-CG 3.27Å; Q714-K718 PolarHBondContact O-N 2.91Å; L715-K718 PolarHBondContact O-N 2.78Å; K718-N720 VanDerWaalsContact C-N 3.26Å; K718-N720 PolarHBondContact O-N 2.8Å
719R95.5Very high97.2Very high27 Ų2724.3 Ų24.310%0.10211%0.112CC..THydrogen-bonded Turntrans-70.8-15.4175.4-60.2-36.9-169.4-163.8-4.1114.9Q582 L715 L716 I717 K721 I765 D815 T817Q582-R719 VanDerWaalsContact NE2-NH1 3.18Å; L715-R719 WeakPolarHBondContact O-CG 3.1Å; L715-R719 PolarHBondContact O-N 2.69Å; L716-R719 PolarHBondContact O-N 2.87Å; I717-R719 PolarHBondContact O-N 3.22Å; I717-R719 VanDerWaalsContact O-N 3.12Å; R719-K721 VanDerWaalsContact C-N 3.26Å; R719-K721 HydrophobicContact CB-CG 4.09Å; R719-K721 VanDerWaalsContact O-CD 3.27Å; R719-K721 WeakPolarHBondContact O-CD 2.96Å; R719-K721 WeakPolarHBondContact O-CE 3.22Å; R719-K721 WeakPolarHBondContact O-CG 3.21Å; R719-K721 PolarHBondContact O-N 3.48Å; R719-K721 PolarHBondContact O-NZ 3.03Å; R719-I765 HydrophobicContact CB-CD1 4.33Å; R719-I765 HydrophobicContact CG-CD1 3.89Å; R719-D815 WeakPolarHBondContact CG-OD2 3.4Å; R719-D815 IonicContact CZ-OD2 3.49Å; R719-D815 IonicContact NE-OD2 3.33Å; R719-D815 PolarHBondContact NE-OD2 3.43Å; R719-D815 IonicContact NH2-OD2 2.73Å; R719-T817 PolarHBondContact NH2-OG1 3.24Å
720N96.1Very high97.1Very high20 Ų2020.5 Ų20.511%0.10710%0.1CC..THydrogen-bonded Turntrans5238.3177.5-161.117.9000114.4D581 L583 I717 K718 R778D581-N720 VanDerWaalsContact CG-ND2 3.31Å; D581-N720 WeakPolarHBondContact O-CB 3.32Å; D581-N720 PolarHBondContact O-ND2 2.83Å; D581-N720 VanDerWaalsContact O-ND2 3.12Å; D581-N720 PolarHBondContact OD1-ND2 3.08Å; D581-N720 PolarHBondContact OD2-ND2 3.35Å; L583-N720 HydrophobicContact CD1-CB 4.03Å; L583-N720 WeakPolarHBondContact CD1-OD1 3.35Å; L583-N720 HydrophobicContact CG-CB 3.84Å; I717-N720 PolarHBondContact O-N 3.01Å; K718-N720 VanDerWaalsContact C-N 3.26Å; K718-N720 PolarHBondContact O-N 2.8Å; N720-R778 PolarHBondContact O-NH1 2.58Å; N720-R778 PolarHBondContact OD1-NH1 3.12Å
721K95.6Very high96.6Very high21 Ų2121.5 Ų21.59%0.09110%0.099CC..  trans-99.4150.4-177.3-60.6-44174.4-147.60112.4R719 V724 I765 Y813R719-K721 VanDerWaalsContact C-N 3.26Å; R719-K721 HydrophobicContact CB-CG 4.09Å; R719-K721 VanDerWaalsContact O-CD 3.27Å; R719-K721 WeakPolarHBondContact O-CD 2.96Å; R719-K721 WeakPolarHBondContact O-CE 3.22Å; R719-K721 WeakPolarHBondContact O-CG 3.21Å; R719-K721 PolarHBondContact O-N 3.48Å; R719-K721 PolarHBondContact O-NZ 3.03Å; K721-V724 HydrophobicContact CB-CB 3.98Å; K721-V724 HydrophobicContact CB-CG1 4.26Å; K721-I765 HydrophobicContact CG-CG2 4.43Å; K721-Y813 HydrophobicContact CB-CD2 3.79Å; K721-Y813 HydrophobicContact CB-CE2 4.24Å; K721-Y813 HydrophobicContact CB-CG 4.38Å; K721-Y813 HydrophobicContact CD-CD2 4.35Å; K721-Y813 HydrophobicContact CD-CE2 4.19Å; K721-Y813 HydrophobicContact CG-CD2 3.98Å; K721-Y813 HydrophobicContact CG-CE2 4.32Å; K721-Y813 HydrophobicContact CG-CG 4.19Å
722P95.3Very high95.9Very high7 Ų723.9 Ų23.95%0.04513%0.131CC..SBendtrans-60.2-49.5179.718.8-31.3000113.4D333 R778 R781 F811 Y813D333-P722 WeakPolarHBondContact OD2-CB 3.35Å; D333-P722 VanDerWaalsContact OD2-CG 3.24Å; D333-P722 WeakPolarHBondContact OD2-CG 3.25Å; P722-R778 PolarHBondContact O-N 3.24Å; P722-R781 HydrophobicContact CB-CG 3.62Å; P722-F811 HydrophobicContact CG-CB 4.37Å; P722-F811 WeakPolarHBondContact CG-O 3.46Å; P722-Y813 HydrophobicContact CG-CD2 4.38Å; P722-Y813 HydrophobicContact CG-CE2 3.91Å
723V98.4Very high95.5Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-134.6129.4166.7-179.50000108V771 Y775 L776 V777 F801 F811 M812 Y813V723-V771 HydrophobicContact CG1-CG2 4.22Å; V723-Y775 HydrophobicContact CG1-CD2 4.28Å; V723-L776 CarbonylContact C-O 3.52Å; V723-L776 VanDerWaalsContact CA-O 3.3Å; V723-L776 WeakPolarHBondContact CA-O 3.47Å; V723-V777 HydrophobicContact CG1-CG2 4.39Å; V723-V777 HydrophobicContact CG2-CG1 4.2Å; V723-V777 HydrophobicContact CG2-CG2 4.26Å; V723-F801 HydrophobicContact CG1-CE1 4.43Å; V723-F801 HydrophobicContact CG1-CZ 4.25Å; V723-F801 HydrophobicContact CG2-CZ 4.38Å; V723-F811 PolarHBondContact N-O 2.83Å; V723-M812 HydrophobicContact CB-CB 4.45Å; V723-M812 HydrophobicContact CB-CG 4.03Å; V723-M812 HydrophobicContact CG1-CB 4.44Å; V723-M812 HydrophobicContact CG1-CG 4.05Å; V723-M812 HydrophobicContact CG2-CG 4.46Å; V723-Y813 PolarHBondContact O-N 3.2Å
724V98.4Very high95.2Very high1 Ų130.8 Ų30.81%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-141.4128.5177.959.90000113L716 K721 Y775 L776 Y813 D815L716-V724 HydrophobicContact CB-CG1 4.25Å; L716-V724 HydrophobicContact CD2-CG1 4.2Å; L716-V724 HydrophobicContact CD2-CG2 4.01Å; K721-V724 HydrophobicContact CB-CB 3.98Å; K721-V724 HydrophobicContact CB-CG1 4.26Å; V724-Y775 CarbonylContact O-C 3.51Å; V724-Y775 WeakPolarHBondContact O-CA 3.45Å; V724-L776 HydrophobicContact CG1-CB 4.14Å; V724-L776 PolarHBondContact N-O 2.76Å; V724-L776 PolarHBondContact O-N 3.08Å; V724-Y813 CarbonylContact C-O 3.53Å; V724-Y813 WeakPolarHBondContact CA-O 3.24Å; V724-D815 HydrophobicContact CG2-CB 4.2Å
725A98.8Very high95Very high0 Ų036.4 Ų36.40%018%0.18CC..EExtended strand (participates in β ladder)trans-102.2140.2170.500000110V771 L774 Y813 V814 D815A725-V771 HydrophobicContact CB-CB 4.08Å; A725-V771 HydrophobicContact CB-CG1 3.98Å; A725-L774 WeakPolarHBondContact CA-O 3.33Å; A725-L774 VanDerWaalsContact CB-O 3.28Å; A725-L774 WeakPolarHBondContact CB-O 3.45Å; A725-Y813 PolarHBondContact N-O 2.92Å; A725-V814 CarbonylContact O-C 3.48Å; A725-V814 VanDerWaalsContact O-CA 3.31Å; A725-V814 WeakPolarHBondContact O-CA 3.5Å; A725-D815 PolarHBondContact O-N 3.02Å
726P98.6Very high95Very high0 Ų035.8 Ų35.80%018%0.178CC..EExtended strand (participates in β ladder)trans-69.5147.515830.4-29000109.1L707 T712 L716 L728 N737 L774 Y820L707-P726 HydrophobicContact CD2-CG 4.46Å; T712-P726 HydrophobicContact CG2-CG 4.37Å; L716-P726 HydrophobicContact CD1-CG 4.24Å; L716-P726 HydrophobicContact CD2-CB 4.3Å; P726-L728 HydrophobicContact CG-CD2 4.49Å; P726-L728 HydrophobicContact CG-CG 4.47Å; P726-L728 PolarHBondContact O-N 3.2Å; P726-N737 PolarHBondContact O-ND2 2.96Å; P726-N737 PolarHBondContact O-OD1 2.93Å; P726-L774 WeakPolarHBondContact CD-O 3.07Å; P726-L774 HydrophobicContact CG-CD2 3.79Å; P726-Y820 HydrophobicContact CB-CD1 3.73Å; P726-Y820 HydrophobicContact CB-CD2 3.43Å; P726-Y820 VanDerWaalsContact CB-CD2 3.43Å; P726-Y820 HydrophobicContact CB-CE1 4.2Å; P726-Y820 HydrophobicContact CB-CE2 3.95Å; P726-Y820 HydrophobicContact CB-CG 3.31Å
727L98.5Very high95Very high20 Ų2035.7 Ų35.711%0.10518%0.178CC..PPolyproline II helixtrans-67.6117.1171.7177.363.4000110F738 V814 D815 N816L727-F738 HydrophobicContact CD1-CD1 3.65Å; L727-F738 HydrophobicContact CD1-CE1 3.55Å; L727-V814 HydrophobicContact CB-CG2 3.92Å; L727-V814 HydrophobicContact CD1-CG2 4.22Å; L727-D815 PolarHBondContact N-O 3.02Å; L727-N816 HydrophobicContact CB-CB 3.76Å; L727-N816 HydrophobicContact CD2-CB 3.51Å; L727-N816 HydrophobicContact CG-CB 4.27Å
728L98.1Very high95Very high0 Ų035.7 Ų35.70%018%0.177CC..  trans-116.7119.8170.5-55.8179.2000108.3A705 L707 P726 S736 N737 L774A705-L728 HydrophobicContact CB-CD1 3.5Å; A705-L728 VanDerWaalsContact CB-CD1 3.5Å; L707-L728 HydrophobicContact CD2-CD2 4.1Å; P726-L728 HydrophobicContact CG-CD2 4.49Å; P726-L728 HydrophobicContact CG-CG 4.47Å; P726-L728 PolarHBondContact O-N 3.2Å; L728-S736 CarbonylContact O-C 3.59Å; L728-S736 WeakPolarHBondContact O-CA 3.4Å; L728-S736 WeakPolarHBondContact O-CB 3.49Å; L728-N737 HydrophobicContact CB-CB 4.27Å; L728-N737 PolarHBondContact N-OD1 3.38Å; L728-N737 PolarHBondContact O-N 3.16Å; L728-N737 PolarHBondContact O-OD1 3.03Å; L728-L774 HydrophobicContact CD1-CB 3.8Å; L728-L774 HydrophobicContact CD1-CD1 4.16Å
729R95.1Very high95.1Very high100 Ų10034.7 Ų34.738%0.37717%0.172SC..EExtended strand (participates in β ladder)trans-111.9150.8176.464.4176.6176.9154.4-1.3111.1W735 V758 E819 R822 S823R729-W735 CarbonylContact C-O 3.49Å; R729-W735 WeakPolarHBondContact CA-O 3.38Å; R729-V758 HydrophobicContact CB-CG1 4.36Å; R729-E819 IonicContact NH2-OE1 2.63Å; R729-E819 PolarHBondContact NH2-OE1 3.24Å; R729-R822 VanDerWaalsContact O-CA 3.29Å; R729-R822 WeakPolarHBondContact O-CA 3.43Å; R729-R822 VanDerWaalsContact O-CB 3.23Å; R729-R822 WeakPolarHBondContact O-CB 3.5Å; R729-S823 PolarHBondContact O-N 3.26Å
730T92.9Very high95.1Very high14 Ų1433.8 Ų33.89%0.08617%0.172CC..EExtended strand (participates in β ladder)trans-76.4133.9169.5-48.60000109.6G732 R733 W735 S823 D825T730-G732 PolarHBondContact O-N 3.14Å; T730-R733 PolarHBondContact O-N 3.38Å; T730-R733 VanDerWaalsContact O-N 3.12Å; T730-W735 PolarHBondContact N-O 3.48Å; T730-S823 WeakPolarHBondContact CA-O 3.48Å; T730-S823 PolarHBondContact N-OG 3.28Å; T730-S823 PolarHBondContact OG1-OG 2.74Å; T730-D825 HydrophobicContact CG2-CB 4.19Å
731E86.6Confident94.9Very high82 Ų8233.7 Ų33.738%0.38317%0.173SC..THydrogen-bonded Turntrans-60.7137.9-175.8-172.9154.5-125.800112.2R733 K846E731-R733 PolarHBondContact O-N 2.96Å; E731-R733 VanDerWaalsContact O-N 3.07Å; E731-K846 WeakPolarHBondContact OE1-CD 3.5Å; E731-K846 WeakPolarHBondContact OE1-CE 3.35Å; E731-K846 IonicContact OE1-NZ 3.24Å; E731-K846 PolarHBondContact OE1-NZ 3.16Å; E731-K846 WeakPolarHBondContact OE2-CD 3.42Å; E731-K846 WeakPolarHBondContact OE2-CG 3.39Å
732G82.8Confident94.8Very high85 Ų8533.6 Ų33.688%0.87617%0.174SC*.THydrogen-bonded Turntrans66.33-176.400000115.8T730T730-G732 PolarHBondContact O-N 3.14Å
733R89.3Confident94.5Very high111 Ų11134.8 Ų34.842%0.41918%0.182SC..SBendtrans-126.8169.1-176.6-58.2-173.5-171.9172.312.2111.7T730 E731 D825T730-R733 PolarHBondContact O-N 3.38Å; T730-R733 VanDerWaalsContact O-N 3.12Å; E731-R733 PolarHBondContact O-N 2.96Å; E731-R733 VanDerWaalsContact O-N 3.07Å; R733-D825 IonicContact CZ-OD2 2.76Å; R733-D825 IonicContact NH1-OD1 3.63Å; R733-D825 IonicContact NH1-OD2 3.9Å; R733-D825 PolarHBondContact NH1-OD2 3.49Å; R733-D825 IonicContact NH2-OD2 3.9Å; R733-D825 PolarHBondContact NH2-OD2 3.28Å
734L92.4Very high93.8Very high40 Ų4043.2 Ų43.221%0.20923%0.227CC..SBendtrans-94.1-3.6174.9-71.8176.1000113.4Y754 V755 V758 E759L734-Y754 WeakPolarHBondContact O-CE1 3.19Å; L734-Y754 PolarHBondContact O-OH 3.2Å; L734-V755 HydrophobicContact CD1-CG2 4.34Å; L734-V755 HydrophobicContact CD2-CG1 4.24Å; L734-V758 HydrophobicContact CD2-CG1 4.05Å; L734-E759 HydrophobicContact CD2-CG 4Å
735W93.3Very high93.3Very high145 Ų14548.4 Ų48.455%0.54926%0.255SS..  trans-69.8135.8179.3-56.6123.3000110.1R729 T730R729-W735 CarbonylContact C-O 3.49Å; R729-W735 WeakPolarHBondContact CA-O 3.38Å; T730-W735 PolarHBondContact N-O 3.48Å
736S96.8Very high92.7Very high15 Ų1549.6 Ų49.611%0.10527%0.267CS..BIsolated β-bridgetrans-146.7168.5-177.266.40000111.7L728 F738 Y754L728-S736 CarbonylContact O-C 3.59Å; L728-S736 WeakPolarHBondContact O-CA 3.4Å; L728-S736 WeakPolarHBondContact O-CB 3.49Å; S736-F738 PolarHBondContact O-N 3.05Å; S736-F738 VanDerWaalsContact O-N 3.1Å; S736-F738 VanDerWaalsContact OG-CD1 3.22Å; S736-F738 WeakPolarHBondContact OG-CD1 3.5Å; S736-F738 WeakPolarHBondContact OG-CE1 3.22Å; S736-Y754 PolarHBondContact N-OH 3.5Å; S736-Y754 PolarHBondContact OG-OH 2.95Å
737N97.9Very high92.4Very high0 Ų055 Ų550%029%0.291CS..SBendtrans-76.921.8-179.572.1-37.2000115.5P726 L728 V771 T772 M773P726-N737 PolarHBondContact O-ND2 2.96Å; P726-N737 PolarHBondContact O-OD1 2.93Å; L728-N737 HydrophobicContact CB-CB 4.27Å; L728-N737 PolarHBondContact N-OD1 3.38Å; L728-N737 PolarHBondContact O-N 3.16Å; L728-N737 PolarHBondContact O-OD1 3.03Å; N737-V771 WeakPolarHBondContact O-CA 3.3Å; N737-T772 HydrophobicContact CB-CG2 4.08Å; N737-T772 WeakPolarHBondContact CB-O 3.25Å; N737-T772 WeakPolarHBondContact O-CG2 3.44Å; N737-T772 PolarHBondContact O-N 3Å; N737-M773 HydrophobicContact CB-CB 4.14Å; N737-M773 HydrophobicContact CB-CG 4.32Å; N737-M773 HydrophobicContact CB-SD 3.81Å
738F98.3Very high92.2Very high0 Ų057.5 Ų57.50%030%0.299CS..EExtended strand (participates in β ladder)trans-146.8157.7176.485.7-84.5000111.9L727 S736 Y754 I757 V758 V768 Y770 V771 V814L727-F738 HydrophobicContact CD1-CD1 3.65Å; L727-F738 HydrophobicContact CD1-CE1 3.55Å; S736-F738 PolarHBondContact O-N 3.05Å; S736-F738 VanDerWaalsContact O-N 3.1Å; S736-F738 VanDerWaalsContact OG-CD1 3.22Å; S736-F738 WeakPolarHBondContact OG-CD1 3.5Å; S736-F738 WeakPolarHBondContact OG-CE1 3.22Å; F738-Y754 HydrophobicContact CD1-CE2 4.31Å; F738-Y754 HydrophobicContact CD2-CD2 4.43Å; F738-Y754 HydrophobicContact CD2-CE2 4.33Å; F738-Y754 HydrophobicContact CE1-CD2 4.18Å; F738-Y754 AromaticContact CE1-CE2 3.82Å; F738-Y754 HydrophobicContact CE1-CE2 3.82Å; F738-Y754 AromaticContact CE2-CD2 3.62Å; F738-Y754 HydrophobicContact CE2-CD2 3.62Å; F738-Y754 AromaticContact CE2-CE2 3.85Å; F738-Y754 HydrophobicContact CE2-CE2 3.85Å; F738-Y754 AromaticContact CZ-CD2 3.46Å; F738-Y754 HydrophobicContact CZ-CD2 3.46Å; F738-Y754 VanDerWaalsContact CZ-CD2 3.46Å; F738-Y754 AromaticContact CZ-CE2 3.57Å; F738-Y754 HydrophobicContact CZ-CE2 3.57Å; F738-Y754 WeakPolarHBondContact O-CE2 3.2Å; F738-I757 HydrophobicContact CE1-CG2 4.09Å; F738-I757 HydrophobicContact CZ-CB 4.15Å; F738-I757 HydrophobicContact CZ-CG2 3.69Å; F738-V758 HydrophobicContact CE1-CG2 3.7Å; F738-V758 HydrophobicContact CZ-CG2 4.08Å; F738-V768 HydrophobicContact CB-CG2 4.36Å; F738-V768 HydrophobicContact CD2-CB 4.1Å; F738-V768 HydrophobicContact CD2-CG1 3.64Å; F738-V768 HydrophobicContact CD2-CG2 4.37Å; F738-V768 HydrophobicContact CE2-CG1 3.95Å; F738-Y770 VanDerWaalsContact CA-O 3.28Å; F738-Y770 WeakPolarHBondContact CA-O 3.33Å; F738-Y770 WeakPolarHBondContact CB-O 3.4Å; F738-V771 HydrophobicContact CB-CG1 4.43Å; F738-V814 HydrophobicContact CB-CB 4.24Å; F738-V814 HydrophobicContact CB-CG1 4.37Å; F738-V814 HydrophobicContact CB-CG2 4.35Å; F738-V814 HydrophobicContact CD1-CB 4.44Å; F738-V814 HydrophobicContact CD1-CG1 4.09Å; F738-V814 HydrophobicContact CD1-CG2 4.05Å; F738-V814 HydrophobicContact CD2-CG1 3.95Å; F738-V814 HydrophobicContact CE1-CG1 4.36Å; F738-V814 HydrophobicContact CE2-CG1 4.22Å; F738-V814 HydrophobicContact CG-CB 4.23Å; F738-V814 HydrophobicContact CG-CG1 3.88Å; F738-V814 HydrophobicContact CG-CG2 4.29Å; F738-V814 HydrophobicContact CZ-CG1 4.42Å
739W97.8Very high91.9Very high40 Ų4061.7 Ų61.715%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-116.3134.2167.3-48-20000109.8I742 Y748 P769 Y770 M799W739-I742 HydrophobicContact CE3-CD1 4.3Å; W739-I742 HydrophobicContact CE3-CG1 4.05Å; W739-Y748 HydrophobicContact CB-CD2 4.02Å; W739-Y748 HydrophobicContact CB-CE2 4.39Å; W739-Y748 AromaticContact CD1-CD2 3.55Å; W739-Y748 AromaticContact CD2-CD2 3.87Å; W739-Y748 HydrophobicContact CD2-CD2 3.87Å; W739-Y748 AromaticContact CG-CD2 3.56Å; W739-Y748 HydrophobicContact CG-CD2 3.56Å; W739-Y748 HydrophobicContact CG-CE2 4.23Å; W739-Y748 AromaticContact NE1-CD2 3.86Å; W739-P769 VanDerWaalsContact O-CD 3.23Å; W739-P769 WeakPolarHBondContact O-CD 3.43Å; W739-Y770 HydrophobicContact CB-CD1 4.35Å; W739-Y770 HydrophobicContact CB-CG 4.4Å; W739-Y770 AromaticContact CD1-CD1 3.59Å; W739-Y770 AromaticContact CD1-CE1 4Å; W739-Y770 AromaticContact CD2-CD1 3.58Å; W739-Y770 HydrophobicContact CD2-CD1 3.58Å; W739-Y770 HydrophobicContact CD2-CD2 4.01Å; W739-Y770 HydrophobicContact CD2-CE1 4.11Å; W739-Y770 HydrophobicContact CD2-CE2 4.49Å; W739-Y770 AromaticContact CD2-CG 3.53Å; W739-Y770 HydrophobicContact CD2-CG 3.53Å; W739-Y770 AromaticContact CE2-CD1 3.63Å; W739-Y770 AromaticContact CE2-CE1 3.65Å; W739-Y770 AromaticContact CE2-CG 3.91Å; W739-Y770 AromaticContact CE2-CZ 3.95Å; W739-Y770 HydrophobicContact CE3-CD1 4.25Å; W739-Y770 AromaticContact CE3-CD2 3.85Å; W739-Y770 HydrophobicContact CE3-CD2 3.85Å; W739-Y770 AromaticContact CE3-CG 3.72Å; W739-Y770 HydrophobicContact CE3-CG 3.72Å; W739-Y770 AromaticContact CG-CD1 3.58Å; W739-Y770 HydrophobicContact CG-CD1 3.58Å; W739-Y770 HydrophobicContact CG-CE1 4.33Å; W739-Y770 AromaticContact CG-CG 3.83Å; W739-Y770 HydrophobicContact CG-CG 3.83Å; W739-Y770 HydrophobicContact CH2-CD2 4.11Å; W739-Y770 AromaticContact CH2-CE2 3.99Å; W739-Y770 HydrophobicContact CH2-CE2 3.99Å; W739-Y770 HydrophobicContact CZ2-CD1 4.33Å; W739-Y770 HydrophobicContact CZ2-CD2 4.24Å; W739-Y770 HydrophobicContact CZ2-CE1 4.05Å; W739-Y770 AromaticContact CZ2-CE2 3.95Å; W739-Y770 HydrophobicContact CZ2-CE2 3.95Å; W739-Y770 HydrophobicContact CZ2-CG 4.44Å; W739-Y770 AromaticContact CZ2-CZ 3.86Å; W739-Y770 AromaticContact CZ3-CD2 3.91Å; W739-Y770 HydrophobicContact CZ3-CD2 3.91Å; W739-Y770 HydrophobicContact CZ3-CE2 4.26Å; W739-Y770 HydrophobicContact CZ3-CG 4.26Å; W739-Y770 PolarHBondContact N-O 2.91Å; W739-Y770 VanDerWaalsContact N-O 3.11Å; W739-Y770 AromaticContact NE1-CD1 3.59Å; W739-Y770 AromaticContact NE1-CE1 3.54Å; W739-M799 HydrophobicContact CH2-CG 3.75Å; W739-M799 HydrophobicContact CH2-SD 3.73Å; W739-M799 HydrophobicContact CZ3-CG 4.23Å; W739-M799 HydrophobicContact CZ3-SD 4.15Å
740G95.6Very high91.8Very high9 Ų962.3 Ų62.39%0.09332%0.321CS..SBendtrans-81.7-18.5178.100000114.7S751G740-S751 WeakPolarHBondContact CA-OG 3.27Å
741A93.6Very high91.7Very high17 Ų1762 Ų6214%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-146.1166.6175.500000111.2Q749A741-Q749 CarbonylContact C-O 3.56Å; A741-Q749 HydrophobicContact CB-CB 3.92Å; A741-Q749 HydrophobicContact CB-CG 4.23Å; A741-Q749 WeakPolarHBondContact CB-O 3.44Å; A741-Q749 PolarHBondContact N-O 3.15Å; A741-Q749 PolarHBondContact O-N 3.48Å
742I92.9Very high91.9Very high19 Ų1962.9 Ų62.910%0.09733%0.327CS..EExtended strand (participates in β ladder)trans-137.2132.9177.3-66.4-171.6000108.2W739 G746 F747 Q749 P769 R806W739-I742 HydrophobicContact CE3-CD1 4.3Å; W739-I742 HydrophobicContact CE3-CG1 4.05Å; I742-G746 VanDerWaalsContact CG2-C 3.4Å; I742-F747 WeakPolarHBondContact CA-O 3.47Å; I742-Q749 PolarHBondContact O-OE1 2.73Å; I742-P769 HydrophobicContact CD1-CB 3.7Å; I742-P769 HydrophobicContact CD1-CG 4.21Å; I742-P769 HydrophobicContact CG1-CB 3.86Å; I742-P769 HydrophobicContact CG1-CG 3.86Å; I742-R806 VanDerWaalsContact CD1-CZ 3.46Å
743S88.7Confident92.4Very high32 Ų3259 Ų5922%0.22429%0.286CS..  trans-75.9162.717648.50000112.2N745 G746 F747S743-N745 PolarHBondContact O-N 2.88Å; S743-N745 PolarHBondContact OG-OD1 2.86Å; S743-G746 PolarHBondContact O-N 3.35Å; S743-F747 PolarHBondContact N-O 3.31Å; S743-F747 PolarHBondContact OG-O 3.22Å
744D84.6Confident92.7Very high178 Ų17853.9 Ų53.995%0.95227%0.267SS*.THydrogen-bonded Turntrans-52.6-24.2-174.6-56.5-29.6000115.4
745N86Confident92.8Very high110 Ų11052.3 Ų52.359%0.58826%0.259SS*.THydrogen-bonded Turntrans-88.21.8176.967.6-14.4000114.7S743 F747S743-N745 PolarHBondContact O-N 2.88Å; S743-N745 PolarHBondContact OG-OD1 2.86Å; N745-F747 HydrophobicContact CB-CD2 4.35Å; N745-F747 WeakPolarHBondContact O-CD2 3.4Å; N745-F747 PolarHBondContact OD1-N 3.24Å
746G86.3Confident92.8Very high25 Ų2545.8 Ų45.826%0.25824%0.236SC..SBendtrans92.31.3178.400000116.3I742 S743I742-G746 VanDerWaalsContact CG2-C 3.4Å; S743-G746 PolarHBondContact O-N 3.35Å
747F93.2Very high92.8Very high112 Ų11245.2 Ų45.249%0.49123%0.232SC..SBendtrans-96.5173.3-175.3-74.6-96.4000114I742 S743 N745 Q749 M799I742-F747 WeakPolarHBondContact CA-O 3.47Å; S743-F747 PolarHBondContact N-O 3.31Å; S743-F747 PolarHBondContact OG-O 3.22Å; N745-F747 HydrophobicContact CB-CD2 4.35Å; N745-F747 WeakPolarHBondContact O-CD2 3.4Å; N745-F747 PolarHBondContact OD1-N 3.24Å; F747-Q749 PolarHBondContact O-N 3.12Å; F747-M799 HydrophobicContact CD1-CE 4.24Å; F747-M799 HydrophobicContact CD1-SD 4.35Å; F747-M799 HydrophobicContact CE1-CE 3.79Å; F747-M799 HydrophobicContact CE1-SD 4.46Å; F747-M799 HydrophobicContact CZ-CE 4.16Å
748Y94.5Very high92.7Very high73 Ų7345.4 Ų45.429%0.28623%0.233SC..EExtended strand (participates in β ladder)trans-50.6126178.9174.1-99.2000113W739 R750W739-Y748 HydrophobicContact CB-CD2 4.02Å; W739-Y748 HydrophobicContact CB-CE2 4.39Å; W739-Y748 AromaticContact CD1-CD2 3.55Å; W739-Y748 AromaticContact CD2-CD2 3.87Å; W739-Y748 HydrophobicContact CD2-CD2 3.87Å; W739-Y748 AromaticContact CG-CD2 3.56Å; W739-Y748 HydrophobicContact CG-CD2 3.56Å; W739-Y748 HydrophobicContact CG-CE2 4.23Å; W739-Y748 AromaticContact NE1-CD2 3.86Å; Y748-R750 HydrophobicContact CE1-CB 4.3Å
749Q91.4Very high92.5Very high89 Ų8949.8 Ų49.842%0.41625%0.253SS..EExtended strand (participates in β ladder)trans-128.5141.7161.7-168.4177.819.900109.3A741 I742 F747A741-Q749 CarbonylContact C-O 3.56Å; A741-Q749 HydrophobicContact CB-CB 3.92Å; A741-Q749 HydrophobicContact CB-CG 4.23Å; A741-Q749 WeakPolarHBondContact CB-O 3.44Å; A741-Q749 PolarHBondContact N-O 3.15Å; A741-Q749 PolarHBondContact O-N 3.48Å; I742-Q749 PolarHBondContact O-OE1 2.73Å; F747-Q749 PolarHBondContact O-N 3.12Å
750R93Very high92.2Very high112 Ų11249.8 Ų49.842%0.42327%0.266SS..  trans-80.2122.4174.2175.8173.1-64.6159.1-0.9109.7Y748 Y754Y748-R750 HydrophobicContact CE1-CB 4.3Å; R750-Y754 HydrophobicContact CG-CD1 4.39Å
751S91.8Very high92Very high7 Ų755 Ų555%0.04929%0.288CS..  trans-71.4154.5162.662.60000110.9G740 D753 Y754G740-S751 WeakPolarHBondContact CA-OG 3.27Å; S751-D753 VanDerWaalsContact C-N 3.26Å; S751-D753 WeakPolarHBondContact CB-OD1 3.4Å; S751-D753 PolarHBondContact O-N 3.14Å; S751-D753 PolarHBondContact OG-OD1 3.34Å; S751-Y754 WeakPolarHBondContact O-CB 3.42Å; S751-Y754 PolarHBondContact O-N 3.08Å; S751-Y754 WeakPolarHBondContact OG-CB 3.34Å; S751-Y754 PolarHBondContact OG-N 2.77Å
752D89.4Confident92.1Very high101 Ų10156.4 Ų56.454%0.5429%0.29SS..SBendtrans-56.5-36.9172.648.33.4000113.4K560K560-D752 WeakPolarHBondContact CE-OD1 3.47Å; K560-D752 IonicContact NZ-OD1 2.72Å; K560-D752 PolarHBondContact NZ-OD1 3.34Å; K560-D752 IonicContact NZ-OD2 3.18Å; K560-D752 PolarHBondContact NZ-OD2 3.12Å
753D92.7Very high92.2Very high4 Ų458.5 Ų58.52%0.02130%0.303CS..SBendtrans-85.2-12.8-179.864.5-1.9000115.2Y564 S751 V755 A756 I757 R762Y564-D753 WeakPolarHBondContact CE2-OD2 3.35Å; Y564-D753 VanDerWaalsContact OH-CB 3.23Å; Y564-D753 WeakPolarHBondContact OH-CB 3.31Å; Y564-D753 PolarHBondContact OH-OD2 3.47Å; S751-D753 VanDerWaalsContact C-N 3.26Å; S751-D753 WeakPolarHBondContact CB-OD1 3.4Å; S751-D753 PolarHBondContact O-N 3.14Å; S751-D753 PolarHBondContact OG-OD1 3.34Å; D753-V755 VanDerWaalsContact C-N 3.27Å; D753-V755 PolarHBondContact O-N 2.99Å; D753-V755 VanDerWaalsContact O-N 3.12Å; D753-A756 WeakPolarHBondContact O-CA 3.36Å; D753-A756 WeakPolarHBondContact O-CB 3.3Å; D753-A756 PolarHBondContact O-N 2.81Å; D753-I757 HydrophobicContact CB-CD1 4.39Å; D753-I757 PolarHBondContact O-N 2.82Å; D753-R762 VanDerWaalsContact CB-NH1 3.31Å
754Y95.9Very high92.6Very high3 Ų357 Ų571%0.01229%0.292CS..Hα-helixtrans-48.5-46-176.4-179.1-104000113.5L734 S736 F738 R750 S751 I757 V758L734-Y754 WeakPolarHBondContact O-CE1 3.19Å; L734-Y754 PolarHBondContact O-OH 3.2Å; S736-Y754 PolarHBondContact N-OH 3.5Å; S736-Y754 PolarHBondContact OG-OH 2.95Å; F738-Y754 HydrophobicContact CD1-CE2 4.31Å; F738-Y754 HydrophobicContact CD2-CD2 4.43Å; F738-Y754 HydrophobicContact CD2-CE2 4.33Å; F738-Y754 HydrophobicContact CE1-CD2 4.18Å; F738-Y754 AromaticContact CE1-CE2 3.82Å; F738-Y754 HydrophobicContact CE1-CE2 3.82Å; F738-Y754 AromaticContact CE2-CD2 3.62Å; F738-Y754 HydrophobicContact CE2-CD2 3.62Å; F738-Y754 AromaticContact CE2-CE2 3.85Å; F738-Y754 HydrophobicContact CE2-CE2 3.85Å; F738-Y754 AromaticContact CZ-CD2 3.46Å; F738-Y754 HydrophobicContact CZ-CD2 3.46Å; F738-Y754 VanDerWaalsContact CZ-CD2 3.46Å; F738-Y754 AromaticContact CZ-CE2 3.57Å; F738-Y754 HydrophobicContact CZ-CE2 3.57Å; F738-Y754 WeakPolarHBondContact O-CE2 3.2Å; R750-Y754 HydrophobicContact CG-CD1 4.39Å; S751-Y754 WeakPolarHBondContact O-CB 3.42Å; S751-Y754 PolarHBondContact O-N 3.08Å; S751-Y754 WeakPolarHBondContact OG-CB 3.34Å; S751-Y754 PolarHBondContact OG-N 2.77Å; Y754-I757 PolarHBondContact O-N 3.37Å; Y754-V758 HydrophobicContact CD1-CG2 4.38Å; Y754-V758 HydrophobicContact CD2-CG2 4.36Å; Y754-V758 HydrophobicContact CE1-CG2 4.04Å; Y754-V758 HydrophobicContact CE2-CG2 3.98Å; Y754-V758 WeakPolarHBondContact O-CB 3.38Å; Y754-V758 WeakPolarHBondContact O-CG2 3.43Å; Y754-V758 PolarHBondContact O-N 3.05Å
755V94.7Very high93.2Very high7 Ų748.6 Ų48.64%0.04225%0.248CC..Hα-helixtrans-67.3-40.1-179.1-177.80000111L734 D753 I757 V758 E759L734-V755 HydrophobicContact CD1-CG2 4.34Å; L734-V755 HydrophobicContact CD2-CG1 4.24Å; D753-V755 VanDerWaalsContact C-N 3.27Å; D753-V755 PolarHBondContact O-N 2.99Å; D753-V755 VanDerWaalsContact O-N 3.12Å; V755-I757 VanDerWaalsContact C-N 3.31Å; V755-I757 PolarHBondContact O-N 3.05Å; V755-V758 PolarHBondContact O-N 3.43Å; V755-E759 HydrophobicContact CG1-CG 4.12Å; V755-E759 VanDerWaalsContact O-CB 3.3Å; V755-E759 WeakPolarHBondContact O-CB 2.81Å; V755-E759 WeakPolarHBondContact O-CG 3.35Å; V755-E759 PolarHBondContact O-N 3.07Å
756A93.4Very high93.8Very high9 Ų943.4 Ų43.47%0.07422%0.22CC..Hα-helixtrans-67.7-33.7179.900000111.7D753 G760 Q761 R762D753-A756 WeakPolarHBondContact O-CA 3.36Å; D753-A756 WeakPolarHBondContact O-CB 3.3Å; D753-A756 PolarHBondContact O-N 2.81Å; A756-G760 PolarHBondContact O-N 3.31Å; A756-Q761 HydrophobicContact CB-CB 4.1Å; A756-Q761 WeakPolarHBondContact O-CA 3.24Å; A756-Q761 WeakPolarHBondContact O-CB 3.32Å; A756-Q761 PolarHBondContact O-N 2.91Å; A756-R762 HydrophobicContact CB-CB 4.35Å; A756-R762 HydrophobicContact CB-CG 3.89Å; A756-R762 PolarHBondContact O-N 3.08Å
757I96.5Very high94.3Very high2 Ų242.7 Ų42.71%0.0121%0.21CC..Hα-helixtrans-70.3-50173.2-63.5169.1000110.6F738 D753 Y754 V755 E759 G760 R762 W766 N816F738-I757 HydrophobicContact CE1-CG2 4.09Å; F738-I757 HydrophobicContact CZ-CB 4.15Å; F738-I757 HydrophobicContact CZ-CG2 3.69Å; D753-I757 HydrophobicContact CB-CD1 4.39Å; D753-I757 PolarHBondContact O-N 2.82Å; Y754-I757 PolarHBondContact O-N 3.37Å; V755-I757 VanDerWaalsContact C-N 3.31Å; V755-I757 PolarHBondContact O-N 3.05Å; I757-E759 PolarHBondContact O-N 3.25Å; I757-G760 PolarHBondContact O-N 2.9Å; I757-R762 HydrophobicContact CG1-CB 4.47Å; I757-W766 HydrophobicContact CD1-CB 4.44Å; I757-W766 HydrophobicContact CD1-CD2 3.7Å; I757-W766 HydrophobicContact CD1-CE3 3.92Å; I757-W766 HydrophobicContact CD1-CG 3.91Å; I757-W766 HydrophobicContact CG1-CD2 4Å; I757-W766 HydrophobicContact CG1-CE3 4.41Å; I757-W766 HydrophobicContact CG1-CG 4.39Å; I757-W766 HydrophobicContact CG1-CZ2 4.3Å; I757-W766 HydrophobicContact CG2-CG 4.42Å; I757-N816 PolarHBondContact O-ND2 3.09Å
758V95.8Very high94.5Very high4 Ų437.6 Ų37.62%0.02419%0.188CC..Hα-helixtrans-66.5-34.4-177.6171.90000113.1R729 L734 F738 Y754 V755 G760R729-V758 HydrophobicContact CB-CG1 4.36Å; L734-V758 HydrophobicContact CD2-CG1 4.05Å; F738-V758 HydrophobicContact CE1-CG2 3.7Å; F738-V758 HydrophobicContact CZ-CG2 4.08Å; Y754-V758 HydrophobicContact CD1-CG2 4.38Å; Y754-V758 HydrophobicContact CD2-CG2 4.36Å; Y754-V758 HydrophobicContact CE1-CG2 4.04Å; Y754-V758 HydrophobicContact CE2-CG2 3.98Å; Y754-V758 WeakPolarHBondContact O-CB 3.38Å; Y754-V758 WeakPolarHBondContact O-CG2 3.43Å; Y754-V758 PolarHBondContact O-N 3.05Å; V755-V758 PolarHBondContact O-N 3.43Å; V758-G760 VanDerWaalsContact C-N 3.32Å
759E93.7Very high94.6Very high92 Ų9234.8 Ų34.843%0.4318%0.179SC..THydrogen-bonded Turntrans-86.42.6177.5-65.5-177.6175.100113.5L734 V755 I757 Q761L734-E759 HydrophobicContact CD2-CG 4Å; V755-E759 HydrophobicContact CG1-CG 4.12Å; V755-E759 VanDerWaalsContact O-CB 3.3Å; V755-E759 WeakPolarHBondContact O-CB 2.81Å; V755-E759 WeakPolarHBondContact O-CG 3.35Å; V755-E759 PolarHBondContact O-N 3.07Å; I757-E759 PolarHBondContact O-N 3.25Å; E759-Q761 VanDerWaalsContact C-N 3.25Å; E759-Q761 HydrophobicContact CB-CG 4.15Å; E759-Q761 PolarHBondContact O-N 3.38Å; E759-Q761 PolarHBondContact OE2-NE2 3.35Å
760G92.6Very high95Very high40 Ų4031.2 Ų31.241%0.41216%0.162SC..THydrogen-bonded Turntrans70.615.1-179.900000114.9A756 I757 V758 R762 V763A756-G760 PolarHBondContact O-N 3.31Å; I757-G760 PolarHBondContact O-N 2.9Å; V758-G760 VanDerWaalsContact C-N 3.32Å; G760-R762 VanDerWaalsContact C-N 3.33Å; G760-V763 WeakPolarHBondContact O-CG2 3.44Å
761Q92.4Very high95.2Very high120 Ų12025.9 Ų25.956%0.56114%0.142SC*.SBendtrans-73-27.8173.9-54.7177.87.400111.9A756 E759A756-Q761 HydrophobicContact CB-CB 4.1Å; A756-Q761 WeakPolarHBondContact O-CA 3.24Å; A756-Q761 WeakPolarHBondContact O-CB 3.32Å; A756-Q761 PolarHBondContact O-N 2.91Å; E759-Q761 VanDerWaalsContact C-N 3.25Å; E759-Q761 HydrophobicContact CB-CG 4.15Å; E759-Q761 PolarHBondContact O-N 3.38Å; E759-Q761 PolarHBondContact OE2-NE2 3.35Å
762R93.7Very high95.5Very high45 Ų4526.2 Ų26.217%0.1714%0.143CC..SBendtrans-123.4112.4170.6-67.6-179.8-166.6179.76108.3Y564 W569 D753 A756 I757 G760 W766 N816Y564-R762 PolarHBondContact OH-NH1 2.85Å; W569-R762 HydrophobicContact CH2-CG 4.16Å; W569-R762 HydrophobicContact CZ2-CB 4.24Å; W569-R762 HydrophobicContact CZ2-CG 3.9Å; D753-R762 VanDerWaalsContact CB-NH1 3.31Å; A756-R762 HydrophobicContact CB-CB 4.35Å; A756-R762 HydrophobicContact CB-CG 3.89Å; A756-R762 PolarHBondContact O-N 3.08Å; I757-R762 HydrophobicContact CG1-CB 4.47Å; G760-R762 VanDerWaalsContact C-N 3.33Å; R762-W766 HydrophobicContact CB-CH2 3.81Å; R762-W766 HydrophobicContact CB-CZ2 3.74Å; R762-N816 PolarHBondContact O-ND2 3.02Å
763V96Very high95.9Very high63 Ų6323.1 Ų23.138%0.38213%0.126SC..  trans-106.3131.6-175.9177.20000109.7W569 G760 N816W569-V763 PolarHBondContact NE1-O 3.2Å; W569-V763 VanDerWaalsContact NE1-O 3.12Å; G760-V763 WeakPolarHBondContact O-CG2 3.44Å; V763-N816 WeakPolarHBondContact CA-OD1 3.47Å
764G97Very high96.1Very high0 Ų023 Ų230%013%0.125CC..SBendtrans168.4-164.1-175.500000115.1C575 C578 W766 N816C575-G764 VanDerWaalsContact CB-CA 3.47Å; C578-G764 VanDerWaalsContact SG-CA 3.58Å; G764-W766 PolarHBondContact O-NE1 2.82Å; G764-N816 PolarHBondContact N-OD1 2.84Å; G764-N816 PolarHBondContact O-N 2.9Å; G764-N816 PolarHBondContact O-OD1 3.35Å
765I97.5Very high96.3Very high2 Ų222.8 Ų22.81%0.0113%0.125CC..EExtended strand (participates in β ladder)trans-118.6116.6174.5-64.1165000106.5W568 C578 R719 K721 Y813 V814 D815 T817W568-I765 PolarHBondContact NE1-O 2.82Å; C578-I765 HydrophobicContact CB-CD1 4.12Å; C578-I765 VanDerWaalsContact SG-CG1 3.53Å; C578-I765 PolarHBondContact SG-N 3.27Å; R719-I765 HydrophobicContact CB-CD1 4.33Å; R719-I765 HydrophobicContact CG-CD1 3.89Å; K721-I765 HydrophobicContact CG-CG2 4.43Å; I765-Y813 HydrophobicContact CG2-CD1 3.68Å; I765-Y813 HydrophobicContact CG2-CG 4.04Å; I765-V814 WeakPolarHBondContact CA-O 3.43Å; I765-D815 HydrophobicContact CG1-CB 4.13Å; I765-T817 HydrophobicContact CG1-CG2 4.14Å
766W97.6Very high96.5Very high1 Ų122.6 Ų22.60%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-115.1122.1-164.5-51.190.4000110.8N563 Y564 W569 I757 R762 G764 V768 Y813 V814 N816N563-W766 HydrophobicContact CB-CE3 3.85Å; N563-W766 HydrophobicContact CB-CZ3 4.19Å; Y564-W766 HydrophobicContact CE1-CH2 4.24Å; Y564-W766 AromaticContact CE1-CZ3 3.79Å; Y564-W766 HydrophobicContact CE1-CZ3 3.79Å; Y564-W766 HydrophobicContact CE2-CZ3 4.28Å; Y564-W766 AromaticContact CZ-CZ3 3.6Å; Y564-W766 WeakPolarHBondContact OH-CZ3 3.28Å; W569-W766 HydrophobicContact CB-CH2 4.24Å; W569-W766 HydrophobicContact CB-CZ3 4.43Å; W569-W766 AromaticContact CD1-CH2 3.44Å; W569-W766 VanDerWaalsContact CD1-CH2 3.44Å; W569-W766 AromaticContact CD1-CZ2 3.86Å; W569-W766 HydrophobicContact CD2-CH2 4.1Å; W569-W766 AromaticContact CG-CH2 3.69Å; W569-W766 HydrophobicContact CG-CH2 3.69Å; W569-W766 HydrophobicContact CG-CZ3 4.32Å; W569-W766 AromaticContact NE1-CH2 3.75Å; I757-W766 HydrophobicContact CD1-CB 4.44Å; I757-W766 HydrophobicContact CD1-CD2 3.7Å; I757-W766 HydrophobicContact CD1-CE3 3.92Å; I757-W766 HydrophobicContact CD1-CG 3.91Å; I757-W766 HydrophobicContact CG1-CD2 4Å; I757-W766 HydrophobicContact CG1-CE3 4.41Å; I757-W766 HydrophobicContact CG1-CG 4.39Å; I757-W766 HydrophobicContact CG1-CZ2 4.3Å; I757-W766 HydrophobicContact CG2-CG 4.42Å; R762-W766 HydrophobicContact CB-CH2 3.81Å; R762-W766 HydrophobicContact CB-CZ2 3.74Å; G764-W766 PolarHBondContact O-NE1 2.82Å; W766-V768 HydrophobicContact CB-CG1 4.1Å; W766-V768 PolarHBondContact O-N 2.8Å; W766-Y813 CarbonylContact O-C 3.22Å; W766-Y813 WeakPolarHBondContact O-CA 3.44Å; W766-V814 HydrophobicContact CB-CG1 3.97Å; W766-V814 HydrophobicContact CG-CG1 4.45Å; W766-V814 PolarHBondContact N-O 3.43Å; W766-V814 PolarHBondContact O-N 3.41Å; W766-N816 PolarHBondContact NE1-OD1 2.76Å
767N97.4Very high96.7Very high11 Ų1122.1 Ų22.16%0.05912%0.12CC..EExtended strand (participates in β ladder)trans-67.6117.6168.7-176.6-5.2000108.8N563 F811 M812 Y813N563-N767 PolarHBondContact ND2-O 2.9Å; N563-N767 VanDerWaalsContact OD1-CB 3.27Å; N563-N767 WeakPolarHBondContact OD1-CB 3.47Å; N563-N767 PolarHBondContact OD1-N 2.03Å; N767-F811 WeakPolarHBondContact ND2-CD2 3.46Å; N767-F811 VanDerWaalsContact ND2-CE2 3.25Å; N767-F811 WeakPolarHBondContact ND2-CE2 3.29Å; N767-F811 VanDerWaalsContact ND2-CG 3.29Å; N767-F811 WeakPolarHBondContact ND2-CG 3.46Å; N767-M812 CarbonylContact C-O 3.52Å; N767-M812 WeakPolarHBondContact CA-O 3.45Å; N767-Y813 HydrophobicContact CB-CD1 4.16Å; N767-Y813 HydrophobicContact CB-CE1 3.88Å
768V97.9Very high96.8Very high5 Ų523.8 Ų23.83%0.0313%0.125CC..  trans-131.2144-171.8-70.80000110.7F738 W766 Y770 V771 M812 V814F738-V768 HydrophobicContact CB-CG2 4.36Å; F738-V768 HydrophobicContact CD2-CB 4.1Å; F738-V768 HydrophobicContact CD2-CG1 3.64Å; F738-V768 HydrophobicContact CD2-CG2 4.37Å; F738-V768 HydrophobicContact CE2-CG1 3.95Å; W766-V768 HydrophobicContact CB-CG1 4.1Å; W766-V768 PolarHBondContact O-N 2.8Å; V768-Y770 VanDerWaalsContact C-N 3.27Å; V768-Y770 PolarHBondContact O-N 3.35Å; V768-V771 HydrophobicContact CG2-CG1 3.74Å; V768-M812 PolarHBondContact N-O 3.22Å; V768-V814 HydrophobicContact CG1-CG1 3.84Å; V768-V814 HydrophobicContact CG2-CB 4.18Å; V768-V814 HydrophobicContact CG2-CG1 4.06Å
769P97Very high96.8Very high13 Ų1326.4 Ų26.48%0.08414%0.137CC..SBendtrans-75.7-7.3-174.930.9-39.5000115.2I556 W739 I742 R806 M812I556-P769 HydrophobicContact CG2-CB 4.15Å; I556-P769 HydrophobicContact CG2-CG 4.41Å; W739-P769 VanDerWaalsContact O-CD 3.23Å; W739-P769 WeakPolarHBondContact O-CD 3.43Å; I742-P769 HydrophobicContact CD1-CB 3.7Å; I742-P769 HydrophobicContact CD1-CG 4.21Å; I742-P769 HydrophobicContact CG1-CB 3.86Å; I742-P769 HydrophobicContact CG1-CG 3.86Å; P769-R806 WeakPolarHBondContact O-CD 3.32Å; P769-R806 PolarHBondContact O-NH1 2.69Å; P769-M812 VanDerWaalsContact O-CE 3.25Å; P769-M812 WeakPolarHBondContact O-CE 3.35Å
770Y98.4Very high96.8Very high15 Ų1525.7 Ų25.76%0.05913%0.133CC..EExtended strand (participates in β ladder)trans-152.4136.6-179.8-179.4-85.5000111.7F738 W739 V768 T772 D798 M799 C802F738-Y770 VanDerWaalsContact CA-O 3.28Å; F738-Y770 WeakPolarHBondContact CA-O 3.33Å; F738-Y770 WeakPolarHBondContact CB-O 3.4Å; W739-Y770 HydrophobicContact CB-CD1 4.35Å; W739-Y770 HydrophobicContact CB-CG 4.4Å; W739-Y770 AromaticContact CD1-CD1 3.59Å; W739-Y770 AromaticContact CD1-CE1 4Å; W739-Y770 AromaticContact CD2-CD1 3.58Å; W739-Y770 HydrophobicContact CD2-CD1 3.58Å; W739-Y770 HydrophobicContact CD2-CD2 4.01Å; W739-Y770 HydrophobicContact CD2-CE1 4.11Å; W739-Y770 HydrophobicContact CD2-CE2 4.49Å; W739-Y770 AromaticContact CD2-CG 3.53Å; W739-Y770 HydrophobicContact CD2-CG 3.53Å; W739-Y770 AromaticContact CE2-CD1 3.63Å; W739-Y770 AromaticContact CE2-CE1 3.65Å; W739-Y770 AromaticContact CE2-CG 3.91Å; W739-Y770 AromaticContact CE2-CZ 3.95Å; W739-Y770 HydrophobicContact CE3-CD1 4.25Å; W739-Y770 AromaticContact CE3-CD2 3.85Å; W739-Y770 HydrophobicContact CE3-CD2 3.85Å; W739-Y770 AromaticContact CE3-CG 3.72Å; W739-Y770 HydrophobicContact CE3-CG 3.72Å; W739-Y770 AromaticContact CG-CD1 3.58Å; W739-Y770 HydrophobicContact CG-CD1 3.58Å; W739-Y770 HydrophobicContact CG-CE1 4.33Å; W739-Y770 AromaticContact CG-CG 3.83Å; W739-Y770 HydrophobicContact CG-CG 3.83Å; W739-Y770 HydrophobicContact CH2-CD2 4.11Å; W739-Y770 AromaticContact CH2-CE2 3.99Å; W739-Y770 HydrophobicContact CH2-CE2 3.99Å; W739-Y770 HydrophobicContact CZ2-CD1 4.33Å; W739-Y770 HydrophobicContact CZ2-CD2 4.24Å; W739-Y770 HydrophobicContact CZ2-CE1 4.05Å; W739-Y770 AromaticContact CZ2-CE2 3.95Å; W739-Y770 HydrophobicContact CZ2-CE2 3.95Å; W739-Y770 HydrophobicContact CZ2-CG 4.44Å; W739-Y770 AromaticContact CZ2-CZ 3.86Å; W739-Y770 AromaticContact CZ3-CD2 3.91Å; W739-Y770 HydrophobicContact CZ3-CD2 3.91Å; W739-Y770 HydrophobicContact CZ3-CE2 4.26Å; W739-Y770 HydrophobicContact CZ3-CG 4.26Å; W739-Y770 PolarHBondContact N-O 2.91Å; W739-Y770 VanDerWaalsContact N-O 3.11Å; W739-Y770 AromaticContact NE1-CD1 3.59Å; W739-Y770 AromaticContact NE1-CE1 3.54Å; V768-Y770 VanDerWaalsContact C-N 3.27Å; V768-Y770 PolarHBondContact O-N 3.35Å; Y770-T772 HydrophobicContact CD1-CG2 4.49Å; Y770-T772 HydrophobicContact CE1-CG2 3.59Å; Y770-D798 HydrophobicContact CE2-CB 4.27Å; Y770-D798 WeakPolarHBondContact OH-CB 3.37Å; Y770-M799 HydrophobicContact CD2-CG 4.34Å; Y770-M799 HydrophobicContact CE2-CB 4.4Å; Y770-M799 HydrophobicContact CE2-CG 3.76Å; Y770-C802 HydrophobicContact CD2-CB 3.82Å; Y770-C802 VanDerWaalsContact CD2-SG 3.56Å; Y770-C802 HydrophobicContact CG-CB 4.47Å
771V98.5Very high96.8Very high0 Ų024 Ų240%011%0.114CC..EExtended strand (participates in β ladder)trans-137.1152.5170.6-64.50000110.1V723 A725 N737 F738 V768 Y775 F801 C802 M812V723-V771 HydrophobicContact CG1-CG2 4.22Å; A725-V771 HydrophobicContact CB-CB 4.08Å; A725-V771 HydrophobicContact CB-CG1 3.98Å; N737-V771 WeakPolarHBondContact O-CA 3.3Å; F738-V771 HydrophobicContact CB-CG1 4.43Å; V768-V771 HydrophobicContact CG2-CG1 3.74Å; V771-Y775 HydrophobicContact CG2-CD1 4.3Å; V771-Y775 HydrophobicContact CG2-CG 4.29Å; V771-F801 HydrophobicContact CG2-CE1 4.46Å; V771-C802 PolarHBondContact N-SG 2.89Å; V771-C802 VanDerWaalsContact N-SG 3.38Å; V771-C802 PolarHBondContact O-SG 3.16Å; V771-M812 HydrophobicContact CG1-CB 4.19Å; V771-M812 HydrophobicContact CG2-CB 4.1Å; V771-M812 HydrophobicContact CG2-CG 4.24Å; V771-M812 HydrophobicContact CG2-SD 4.08Å
772T97.9Very high96.9Very high14 Ų1418.4 Ų18.49%0.0869%0.089CC..  trans-151179.4-177.8175.50000110.4N737 Y770 L774 D798N737-T772 HydrophobicContact CB-CG2 4.08Å; N737-T772 WeakPolarHBondContact CB-O 3.25Å; N737-T772 WeakPolarHBondContact O-CG2 3.44Å; N737-T772 PolarHBondContact O-N 3Å; Y770-T772 HydrophobicContact CD1-CG2 4.49Å; Y770-T772 HydrophobicContact CE1-CG2 3.59Å; T772-L774 PolarHBondContact O-N 3.41Å; T772-D798 WeakPolarHBondContact CB-OD2 3.42Å; T772-D798 PolarHBondContact OG1-OD2 2.95Å
773M96.8Very high97Very high35 Ų3520 Ų2017%0.17211%0.106CC..SBendtrans63.5-46.2171.4-59.3168.4173.800117.3W701 D702 A705 N737W701-M773 CarbonylContact C-O 3.5Å; W701-M773 WeakPolarHBondContact CA-O 3.27Å; D702-M773 PolarHBondContact N-O 3.35Å; A705-M773 HydrophobicContact CB-CB 4.24Å; N737-M773 HydrophobicContact CB-CB 4.14Å; N737-M773 HydrophobicContact CB-CG 4.32Å; N737-M773 HydrophobicContact CB-SD 3.81Å
774L98.5Very high96.8Very high1 Ų122.2 Ų22.21%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-154.1116.9178.6-158.9168.2000109.6L699 V700 W701 A705 L707 L716 A725 P726 L728 T772L699-L774 HydrophobicContact CD1-CD2 3.71Å; V700-L774 VanDerWaalsContact O-CA 3.29Å; V700-L774 WeakPolarHBondContact O-CA 3.37Å; W701-L774 HydrophobicContact CB-CG 4.25Å; W701-L774 HydrophobicContact CD2-CD1 3.72Å; W701-L774 HydrophobicContact CD2-CG 4.16Å; W701-L774 HydrophobicContact CE3-CD1 4.35Å; W701-L774 HydrophobicContact CG-CD1 3.85Å; W701-L774 HydrophobicContact CG-CG 3.88Å; W701-L774 HydrophobicContact CZ2-CD1 4.23Å; A705-L774 HydrophobicContact CB-CB 4.11Å; A705-L774 HydrophobicContact CB-CD1 4.2Å; L707-L774 HydrophobicContact CD1-CD1 3.95Å; L707-L774 HydrophobicContact CD2-CD1 3.79Å; L707-L774 HydrophobicContact CG-CD1 3.8Å; L716-L774 HydrophobicContact CD1-CD2 4.42Å; A725-L774 WeakPolarHBondContact CA-O 3.33Å; A725-L774 VanDerWaalsContact CB-O 3.28Å; A725-L774 WeakPolarHBondContact CB-O 3.45Å; P726-L774 WeakPolarHBondContact CD-O 3.07Å; P726-L774 HydrophobicContact CG-CD2 3.79Å; L728-L774 HydrophobicContact CD1-CB 3.8Å; L728-L774 HydrophobicContact CD1-CD1 4.16Å; T772-L774 PolarHBondContact O-N 3.41Å
775Y98.8Very high96.7Very high0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-157.1149.5177.348.8-89.1000112.9V700 V723 V724 V771 V777 Y789 F801V700-Y775 HydrophobicContact CB-CD2 4.04Å; V700-Y775 HydrophobicContact CB-CE1 4.21Å; V700-Y775 HydrophobicContact CB-CE2 3.7Å; V700-Y775 HydrophobicContact CB-CG 4.44Å; V700-Y775 HydrophobicContact CG1-CE1 4Å; V700-Y775 HydrophobicContact CG1-CE2 4.14Å; V700-Y775 HydrophobicContact CG2-CD2 4.19Å; V700-Y775 HydrophobicContact CG2-CE2 3.62Å; V700-Y775 PolarHBondContact N-O 2.98Å; V700-Y775 PolarHBondContact O-N 3.07Å; V723-Y775 HydrophobicContact CG1-CD2 4.28Å; V724-Y775 CarbonylContact O-C 3.51Å; V724-Y775 WeakPolarHBondContact O-CA 3.45Å; V771-Y775 HydrophobicContact CG2-CD1 4.3Å; V771-Y775 HydrophobicContact CG2-CG 4.29Å; Y775-V777 HydrophobicContact CD2-CG2 4.05Å; Y775-V777 HydrophobicContact CE2-CG2 4.37Å; Y775-Y789 WeakPolarHBondContact OH-CE1 3.47Å; Y775-Y789 PolarHBondContact OH-OH 3.38Å; Y775-F801 HydrophobicContact CD2-CE1 4.1Å; Y775-F801 HydrophobicContact CD2-CZ 4.13Å; Y775-F801 HydrophobicContact CE2-CD1 4.16Å; Y775-F801 AromaticContact CE2-CE1 3.55Å; Y775-F801 HydrophobicContact CE2-CE1 3.55Å; Y775-F801 HydrophobicContact CE2-CE2 4.28Å; Y775-F801 AromaticContact CE2-CZ 3.63Å; Y775-F801 HydrophobicContact CE2-CZ 3.63Å; Y775-F801 AromaticContact CZ-CE1 3.95Å
776L98.7Very high96.7Very high2 Ų227.2 Ų27.21%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-103.4130.9178.6-168.674.6000109.9Y697 L698 L699 L713 L716 I717 V723 V724Y697-L776 HydrophobicContact CD1-CD1 4.22Å; Y697-L776 HydrophobicContact CD1-CD2 3.69Å; Y697-L776 HydrophobicContact CD1-CG 3.77Å; Y697-L776 HydrophobicContact CE1-CD2 4.1Å; Y697-L776 HydrophobicContact CG-CD1 4.21Å; Y697-L776 HydrophobicContact CG-CD2 4.24Å; Y697-L776 HydrophobicContact CG-CG 4.26Å; L698-L776 CarbonylContact O-C 3.56Å; L698-L776 WeakPolarHBondContact O-CA 3.47Å; L699-L776 HydrophobicContact CB-CD1 3.9Å; L699-L776 HydrophobicContact CD1-CB 4.5Å; L699-L776 HydrophobicContact CD1-CD1 4.15Å; L713-L776 HydrophobicContact CD1-CD1 3.66Å; L713-L776 HydrophobicContact CD1-CD2 4.46Å; L716-L776 HydrophobicContact CB-CB 4.4Å; L716-L776 HydrophobicContact CB-CD2 3.82Å; L716-L776 HydrophobicContact CD1-CB 4.48Å; I717-L776 HydrophobicContact CG1-CD2 3.67Å; V723-L776 CarbonylContact C-O 3.52Å; V723-L776 VanDerWaalsContact CA-O 3.3Å; V723-L776 WeakPolarHBondContact CA-O 3.47Å; V724-L776 HydrophobicContact CG1-CB 4.14Å; V724-L776 PolarHBondContact N-O 2.76Å; V724-L776 PolarHBondContact O-N 3.08Å
777V98.6Very high96.6Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-114.9126.6177.3-174.20000109.9Y697 L698 V723 Y775 L782 M785 F801Y697-V777 WeakPolarHBondContact CA-O 3.48Å; L698-V777 HydrophobicContact CB-CB 4.36Å; L698-V777 PolarHBondContact N-O 3.44Å; L698-V777 PolarHBondContact O-N 2.75Å; V723-V777 HydrophobicContact CG1-CG2 4.39Å; V723-V777 HydrophobicContact CG2-CG1 4.2Å; V723-V777 HydrophobicContact CG2-CG2 4.26Å; Y775-V777 HydrophobicContact CD2-CG2 4.05Å; Y775-V777 HydrophobicContact CE2-CG2 4.37Å; V777-L782 HydrophobicContact CG1-CB 4.01Å; V777-L782 HydrophobicContact CG1-CD1 4.11Å; V777-M785 HydrophobicContact CG1-CE 3.65Å; V777-M785 HydrophobicContact CG1-SD 4.06Å; V777-F801 HydrophobicContact CG2-CZ 4.18Å
778R97.5Very high96.6Very high36 Ų3630.8 Ų30.814%0.13616%0.16CC..EExtended strand (participates in β ladder)trans-81.5140.7-179.2-170173.780.4-165.6-1.8112.4Y697 N720 P722 E780 R781 L782Y697-R778 HydrophobicContact CD1-CB 4.2Å; Y697-R778 HydrophobicContact CD1-CG 4.4Å; Y697-R778 HydrophobicContact CE1-CB 3.85Å; Y697-R778 HydrophobicContact CE1-CG 3.73Å; N720-R778 PolarHBondContact O-NH1 2.58Å; N720-R778 PolarHBondContact OD1-NH1 3.12Å; P722-R778 PolarHBondContact O-N 3.24Å; R778-E780 VanDerWaalsContact C-N 3.25Å; R778-E780 IonicContact CZ-OE2 2.87Å; R778-E780 IonicContact NE-OE2 2.8Å; R778-E780 IonicContact NH2-OE2 3.76Å; R778-E780 PolarHBondContact NH2-OE2 2.86Å; R778-E780 PolarHBondContact O-N 2.81Å; R778-R781 PolarHBondContact O-N 3.38Å; R778-L782 WeakPolarHBondContact O-CB 3.3Å; R778-L782 PolarHBondContact O-N 2.79Å
779K96.6Very high96.6Very high59 Ų5930.6 Ų30.626%0.25716%0.159SC..Hα-helixtrans-37.6-46.3176.6-166.7174-144.3151.30115.7N694 C695 D696 R781 L782 S783N694-K779 WeakPolarHBondContact O-CE 3.33Å; N694-K779 PolarHBondContact O-NZ 3.38Å; N694-K779 WeakPolarHBondContact OD1-CE 3.48Å; N694-K779 PolarHBondContact OD1-NZ 2.9Å; N694-K779 VanDerWaalsContact OD1-NZ 3.09Å; C695-K779 WeakPolarHBondContact O-CD 3.37Å; C695-K779 WeakPolarHBondContact O-CE 3.36Å; C695-K779 WeakPolarHBondContact O-CG 3.5Å; C695-K779 PolarHBondContact O-NZ 2.82Å; D696-K779 WeakPolarHBondContact O-CB 3.37Å; D696-K779 PolarHBondContact O-N 3.06Å; D696-K779 IonicContact OD1-NZ 3.65Å; D696-K779 PolarHBondContact OD1-NZ 3.03Å; K779-R781 PolarHBondContact O-N 3.37Å; K779-L782 PolarHBondContact O-N 2.82Å; K779-S783 VanDerWaalsContact O-CB 3.29Å; K779-S783 WeakPolarHBondContact O-CB 3.5Å; K779-S783 PolarHBondContact O-N 3.33Å; K779-S783 PolarHBondContact O-OG 3.11Å
780E93Very high96.6Very high77 Ų7732 Ų3236%0.3617%0.169SC..Hα-helixtrans-64.2-23.1-174.5-158.1-144.3144.200114.3R778 K784R778-E780 VanDerWaalsContact C-N 3.25Å; R778-E780 IonicContact CZ-OE2 2.87Å; R778-E780 IonicContact NE-OE2 2.8Å; R778-E780 IonicContact NH2-OE2 3.76Å; R778-E780 PolarHBondContact NH2-OE2 2.86Å; R778-E780 PolarHBondContact O-N 2.81Å; E780-K784 WeakPolarHBondContact O-CE 3.17Å
781R93Very high96.4Very high5 Ų536 Ų362%0.01919%0.185CC..Hα-helixtrans-100.4-43.4172.5-58.4-70.9170.6-101.75.6109.9D333 P722 R778 K779 S783 K784 M785 Y810D333-R781 IonicContact OD1-CZ 2.72Å; D333-R781 VanDerWaalsContact OD1-CZ 3.29Å; D333-R781 IonicContact OD1-NE 2.62Å; D333-R781 PolarHBondContact OD1-NE 3Å; D333-R781 VanDerWaalsContact OD1-NE 3.09Å; D333-R781 IonicContact OD1-NH2 3.14Å; D333-R781 PolarHBondContact OD1-NH2 3.45Å; D333-R781 IonicContact OD2-NE 2.7Å; D333-R781 PolarHBondContact OD2-NE 2.74Å; P722-R781 HydrophobicContact CB-CG 3.62Å; R778-R781 PolarHBondContact O-N 3.38Å; K779-R781 PolarHBondContact O-N 3.37Å; R781-S783 PolarHBondContact O-N 2.76Å; R781-K784 PolarHBondContact O-N 2.88Å; R781-M785 PolarHBondContact O-N 3.01Å; R781-Y810 HydrophobicContact CB-CD2 4.09Å; R781-Y810 HydrophobicContact CB-CE2 4.24Å; R781-Y810 HydrophobicContact CB-CG 4.42Å; R781-Y810 HydrophobicContact CG-CG 4.39Å
782L95Very high96.2Very high3 Ų338 Ų382%0.01620%0.196CC..Hα-helixtrans-53.6-46.5178.8-173.567.7000113.1V687 C690 Q691 C695 L698 V777 R778 K779 K784 M785V687-L782 HydrophobicContact CG1-CD1 3.92Å; V687-L782 HydrophobicContact CG2-CD1 4.4Å; C690-L782 HydrophobicContact CB-CD2 4.03Å; Q691-L782 HydrophobicContact CG-CG 4.47Å; Q691-L782 PolarHBondContact NE2-O 3.29Å; C695-L782 WeakPolarHBondContact SG-CD2 3.37Å; L698-L782 HydrophobicContact CB-CD1 4.09Å; L698-L782 HydrophobicContact CB-CD2 3.88Å; L698-L782 HydrophobicContact CD2-CD1 3.85Å; V777-L782 HydrophobicContact CG1-CB 4.01Å; V777-L782 HydrophobicContact CG1-CD1 4.11Å; R778-L782 WeakPolarHBondContact O-CB 3.3Å; R778-L782 PolarHBondContact O-N 2.79Å; K779-L782 PolarHBondContact O-N 2.82Å; L782-K784 PolarHBondContact O-N 2.83Å; L782-M785 HydrophobicContact CD1-SD 4.12Å; L782-M785 WeakPolarHBondContact O-CB 3.36Å; L782-M785 PolarHBondContact O-N 3.47Å
783S94.6Very high96Very high78 Ų7843.7 Ų43.755%0.54522%0.224SC..THydrogen-bonded Turntrans-61.1-13.1177.752.90000115K779 R781K779-S783 VanDerWaalsContact O-CB 3.29Å; K779-S783 WeakPolarHBondContact O-CB 3.5Å; K779-S783 PolarHBondContact O-N 3.33Å; K779-S783 PolarHBondContact O-OG 3.11Å; R781-S783 PolarHBondContact O-N 2.76Å
784K92.7Very high95.7Very high109 Ų10951.6 Ų51.647%0.47426%0.258SS..THydrogen-bonded Turntrans-106.3-6176.9-57.1176.8-171.7172.60112.6E780 R781 L782 Y804 Y810E780-K784 WeakPolarHBondContact O-CE 3.17Å; R781-K784 PolarHBondContact O-N 2.88Å; L782-K784 PolarHBondContact O-N 2.83Å; K784-Y804 PolarHBondContact O-OH 2.92Å; K784-Y804 VanDerWaalsContact O-OH 3.05Å; K784-Y810 WeakPolarHBondContact CB-OH 3.28Å
785M95.9Very high95.4Very high2 Ų252.2 Ų52.21%0.0126%0.263CS..  trans-73.6130.5178.8-69.4-178.8174.600110.6V687 Q691 V777 R781 L782 P788 F801 Y804 Y810V687-M785 HydrophobicContact CG1-CB 3.93Å; Q691-M785 PolarHBondContact NE2-O 2.84Å; V777-M785 HydrophobicContact CG1-CE 3.65Å; V777-M785 HydrophobicContact CG1-SD 4.06Å; R781-M785 PolarHBondContact O-N 3.01Å; L782-M785 HydrophobicContact CD1-SD 4.12Å; L782-M785 WeakPolarHBondContact O-CB 3.36Å; L782-M785 PolarHBondContact O-N 3.47Å; M785-P788 HydrophobicContact CB-CG 4.21Å; M785-P788 HydrophobicContact SD-CG 4.33Å; M785-F801 HydrophobicContact CE-CE2 4.01Å; M785-F801 HydrophobicContact SD-CE2 4.25Å; M785-Y804 WeakPolarHBondContact CA-OH 3.26Å; M785-Y804 HydrophobicContact CB-CE1 4.39Å; M785-Y804 HydrophobicContact CG-CE1 3.94Å; M785-Y810 HydrophobicContact CE-CD2 4.06Å; M785-Y810 HydrophobicContact CG-CE2 4.44Å
786V95.9Very high95.1Very high105 Ų10555.1 Ų55.164%0.63628%0.279SS*.SBendtrans-131.4109.4174.9-178.20000106.9Y804V786-Y804 PolarHBondContact N-OH 3.04Å
787N96.4Very high94.9Very high87 Ų8755.3 Ų55.347%0.46528%0.28SS..SBendtrans4355.1-177.7-53.8-17.2000114.2D684 Y789 S790 Y791D684-N787 WeakPolarHBondContact OD1-CA 3.23Å; N787-Y789 VanDerWaalsContact C-N 3.29Å; N787-Y789 PolarHBondContact O-N 3.4Å; N787-S790 CarbonylContact O-C 3.57Å; N787-S790 PolarHBondContact O-N 2.74Å; N787-S790 VanDerWaalsContact O-N 3.08Å; N787-Y791 PolarHBondContact O-N 3.08Å
788P97.7Very high94.8Very high0 Ų055.8 Ų55.80%028%0.283CS..G310 helixtrans-63.7-30.7-174.228.9-36.5000113.4D684 V687 M785 S790 Y791 S800 F801 Y804D684-P788 WeakPolarHBondContact OD1-CD 3.44Å; D684-P788 VanDerWaalsContact OD1-N 3.08Å; V687-P788 HydrophobicContact CG2-CG 4.1Å; M785-P788 HydrophobicContact CB-CG 4.21Å; M785-P788 HydrophobicContact SD-CG 4.33Å; P788-S790 VanDerWaalsContact C-N 3.33Å; P788-Y791 WeakPolarHBondContact O-CB 3.48Å; P788-Y791 PolarHBondContact O-N 2.79Å; P788-S800 CarbonylContact O-C 3.58Å; P788-S800 PolarHBondContact O-OG 3.06Å; P788-F801 HydrophobicContact CB-CD2 4.04Å; P788-F801 HydrophobicContact CG-CD2 4.25Å; P788-F801 PolarHBondContact O-N 2.86Å; P788-Y804 HydrophobicContact CB-CD1 3.79Å; P788-Y804 HydrophobicContact CB-CD2 4.02Å; P788-Y804 HydrophobicContact CB-CE1 4.32Å; P788-Y804 HydrophobicContact CB-CG 3.65Å
789Y97.2Very high94.7Very high2 Ų255 Ų551%0.00828%0.281CS..G310 helixtrans-76.5-22.1176.1-58.7-89.1000111.8R680 R683 D684 V687 Y775 N787 P797 S800 F801R680-Y789 WeakPolarHBondContact CD-O 3.38Å; R680-Y789 VanDerWaalsContact CG-O 3.24Å; R680-Y789 WeakPolarHBondContact CG-O 3.32Å; R680-Y789 PolarHBondContact NH1-O 3Å; R683-Y789 VanDerWaalsContact C-CD2 3.47Å; R683-Y789 HydrophobicContact CB-CD1 3.63Å; R683-Y789 HydrophobicContact CB-CD2 3.47Å; R683-Y789 VanDerWaalsContact CB-CD2 3.47Å; R683-Y789 HydrophobicContact CB-CE1 3.92Å; R683-Y789 HydrophobicContact CB-CE2 3.76Å; R683-Y789 HydrophobicContact CB-CG 3.42Å; R683-Y789 VanDerWaalsContact CB-CG 3.42Å; R683-Y789 VanDerWaalsContact CD-CD1 3.45Å; R683-Y789 HydrophobicContact CG-CD1 4.18Å; R683-Y789 HydrophobicContact CG-CE1 4.26Å; R683-Y789 HydrophobicContact CG-CG 4.43Å; R683-Y789 WeakPolarHBondContact O-CE2 3.47Å; D684-Y789 WeakPolarHBondContact OD1-CA 3.34Å; D684-Y789 WeakPolarHBondContact OD1-CB 3.3Å; D684-Y789 WeakPolarHBondContact OD1-CD2 3.39Å; D684-Y789 PolarHBondContact OD1-N 3.23Å; V687-Y789 HydrophobicContact CG2-CD2 4.47Å; V687-Y789 HydrophobicContact CG2-CE2 3.87Å; Y775-Y789 WeakPolarHBondContact OH-CE1 3.47Å; Y775-Y789 PolarHBondContact OH-OH 3.38Å; N787-Y789 VanDerWaalsContact C-N 3.29Å; N787-Y789 PolarHBondContact O-N 3.4Å; Y789-P797 HydrophobicContact CD1-CB 4.15Å; Y789-P797 WeakPolarHBondContact CD1-O 3.05Å; Y789-S800 VanDerWaalsContact O-CB 3.25Å; Y789-S800 WeakPolarHBondContact O-CB 3.35Å; Y789-S800 PolarHBondContact O-OG 3Å; Y789-F801 HydrophobicContact CD1-CB 3.63Å; Y789-F801 HydrophobicContact CD1-CG 4.39Å; Y789-F801 HydrophobicContact CE1-CB 3.5Å; Y789-F801 VanDerWaalsContact CE1-CB 3.5Å; Y789-F801 HydrophobicContact CE1-CD2 4.02Å; Y789-F801 AromaticContact CE1-CG 3.8Å; Y789-F801 HydrophobicContact CE1-CG 3.8Å; Y789-F801 HydrophobicContact CE2-CD2 4.05Å; Y789-F801 HydrophobicContact CG-CB 4.29Å; Y789-F801 AromaticContact CZ-CD2 3.67Å; Y789-F801 AromaticContact CZ-CG 3.93Å
790S96.2Very high94.7Very high41 Ų4152.2 Ų52.229%0.28727%0.269SS..G310 helixtrans-94.74.1170.5-58.80000115.6R680 D684 N787 P788 N792R680-S790 WeakPolarHBondContact CD-OG 3.32Å; R680-S790 WeakPolarHBondContact CG-OG 3.47Å; D684-S790 WeakPolarHBondContact OD2-CB 3.11Å; D684-S790 PolarHBondContact OD2-N 2.95Å; D684-S790 PolarHBondContact OD2-OG 3.07Å; N787-S790 CarbonylContact O-C 3.57Å; N787-S790 PolarHBondContact O-N 2.74Å; N787-S790 VanDerWaalsContact O-N 3.08Å; P788-S790 VanDerWaalsContact C-N 3.33Å; S790-N792 VanDerWaalsContact C-N 3.34Å; S790-N792 PolarHBondContact O-N 2.91Å
791Y96Very high95Very high100 Ų10048.6 Ų48.639%0.39225%0.252SS..SBendtrans-58.7-40.4-179-174.7-113.8000114N787 P788 S800 Q803 Y804 D807N787-Y791 PolarHBondContact O-N 3.08Å; P788-Y791 WeakPolarHBondContact O-CB 3.48Å; P788-Y791 PolarHBondContact O-N 2.79Å; Y791-S800 PolarHBondContact N-OG 2.7Å; Y791-S800 VanDerWaalsContact N-OG 3.16Å; Y791-Q803 HydrophobicContact CD1-CG 4.29Å; Y791-Q803 HydrophobicContact CE1-CG 4.18Å; Y791-Y804 HydrophobicContact CD1-CD2 4.32Å; Y791-Y804 AromaticContact CD2-CD2 3.63Å; Y791-Y804 HydrophobicContact CD2-CD2 3.63Å; Y791-Y804 HydrophobicContact CD2-CE2 4.26Å; Y791-Y804 HydrophobicContact CE2-CD2 4.28Å; Y791-Y804 AromaticContact CG-CD2 3.66Å; Y791-Y804 HydrophobicContact CG-CD2 3.66Å; Y791-Y804 HydrophobicContact CG-CG 4.32Å; Y791-D807 HydrophobicContact CE1-CB 4.1Å; Y791-D807 WeakPolarHBondContact CE1-OD2 3.25Å
792N94Very high95.2Very high43 Ų4348.3 Ų48.323%0.2325%0.251CS..  trans-127.296.6172.6-177-0.3000110.6R680 S790 K794 A795 S800 Q803R680-N792 PolarHBondContact NH1-O 2.76Å; R680-N792 VanDerWaalsContact NH1-O 3.14Å; S790-N792 VanDerWaalsContact C-N 3.34Å; S790-N792 PolarHBondContact O-N 2.91Å; N792-K794 PolarHBondContact O-N 3Å; N792-K794 VanDerWaalsContact O-N 3.12Å; N792-K794 WeakPolarHBondContact OD1-CB 3.47Å; N792-K794 PolarHBondContact OD1-N 3.05Å; N792-A795 HydrophobicContact CB-CB 4.2Å; N792-A795 PolarHBondContact O-N 3.35Å; N792-A795 VanDerWaalsContact O-N 3.14Å; N792-A795 PolarHBondContact OD1-N 3.33Å; N792-S800 PolarHBondContact N-OG 3.34Å; N792-Q803 PolarHBondContact ND2-OE1 3.33Å
793L93.1Very high95.2Very high132 Ų13250.7 Ų50.769%0.69126%0.262SS*.THydrogen-bonded Turntrans-64.4-10.9177.9-60177.6000114.6
794K91.3Very high95.3Very high202 Ų20247.4 Ų47.488%0.87824%0.237SC*.THydrogen-bonded Turntrans-92.4-17.7176-60.6-178.9179179.40113.3N792N792-K794 PolarHBondContact O-N 3Å; N792-K794 VanDerWaalsContact O-N 3.12Å; N792-K794 WeakPolarHBondContact OD1-CB 3.47Å; N792-K794 PolarHBondContact OD1-N 3.05Å
795A91.5Very high95.4Very high14 Ų1442.2 Ų42.212%0.11622%0.215CC..SBendtrans-91.4161.4171.500000109.6R680 N792 M799R680-A795 PolarHBondContact NH1-O 3.07Å; R680-A795 PolarHBondContact NH2-O 3.07Å; N792-A795 HydrophobicContact CB-CB 4.2Å; N792-A795 PolarHBondContact O-N 3.35Å; N792-A795 VanDerWaalsContact O-N 3.14Å; N792-A795 PolarHBondContact OD1-N 3.33Å; A795-M799 HydrophobicContact CB-CB 3.79Å; A795-M799 HydrophobicContact CB-CE 4.28Å
796D92Very high95.2Very high61 Ų6145 Ų4533%0.32623%0.225SC..  trans-63.8167.2165.570.576.2000111D798 M799 S800D796-D798 VanDerWaalsContact C-N 3.33Å; D796-D798 PolarHBondContact O-N 2.87Å; D796-D798 WeakPolarHBondContact OD1-CA 3.42Å; D796-D798 WeakPolarHBondContact OD1-CB 3.47Å; D796-D798 PolarHBondContact OD1-N 2.77Å; D796-M799 PolarHBondContact O-N 3.44Å; D796-M799 PolarHBondContact OD1-N 2.83Å; D796-M799 WeakPolarHBondContact OD2-CB 3.38Å; D796-M799 WeakPolarHBondContact OD2-CE 3.41Å; D796-M799 WeakPolarHBondContact OD2-CG 3.4Å; D796-S800 WeakPolarHBondContact O-CB 3.47Å; D796-S800 PolarHBondContact O-N 2.8Å
797P94.4Very high94.9Very high5 Ų540.9 Ų40.93%0.03220%0.2CC..Hα-helixtrans-57.4-40.1-176.5-26.537.2000114E679 R680 Y789 S800 F801E679-P797 HydrophobicContact CG-CG 4.09Å; R680-P797 HydrophobicContact CB-CG 4.11Å; Y789-P797 HydrophobicContact CD1-CB 4.15Å; Y789-P797 WeakPolarHBondContact CD1-O 3.05Å; P797-S800 WeakPolarHBondContact O-CB 3.35Å; P797-S800 PolarHBondContact O-N 2.86Å; P797-F801 PolarHBondContact O-N 3.09Å
798D96Very high94.6Very high11 Ų1139.9 Ų39.96%0.05919%0.191CC..Hα-helixtrans-75.7-42.3-176.9-73-1.4000111.3R683 Y770 T772 D796 S800 F801 C802R683-D798 IonicContact CZ-OD1 2.65Å; R683-D798 IonicContact NE-OD1 3.82Å; R683-D798 IonicContact NH1-OD1 2.85Å; R683-D798 IonicContact NH2-OD1 2.75Å; Y770-D798 HydrophobicContact CE2-CB 4.27Å; Y770-D798 WeakPolarHBondContact OH-CB 3.37Å; T772-D798 WeakPolarHBondContact CB-OD2 3.42Å; T772-D798 PolarHBondContact OG1-OD2 2.95Å; D796-D798 VanDerWaalsContact C-N 3.33Å; D796-D798 PolarHBondContact O-N 2.87Å; D796-D798 WeakPolarHBondContact OD1-CA 3.42Å; D796-D798 WeakPolarHBondContact OD1-CB 3.47Å; D796-D798 PolarHBondContact OD1-N 2.77Å; D798-S800 PolarHBondContact O-N 3.02Å; D798-F801 PolarHBondContact O-N 3.02Å; D798-C802 WeakPolarHBondContact O-CB 3.25Å; D798-C802 PolarHBondContact O-N 2.89Å; D798-C802 PolarHBondContact O-SG 3.35Å
799M96.5Very high94.1Very high20 Ų2040.5 Ų40.510%0.09920%0.195CC..Hα-helixtrans-59.6-37.6169.9-85-155.6-6800111.5W739 F747 Y770 A795 D796 Q803W739-M799 HydrophobicContact CH2-CG 3.75Å; W739-M799 HydrophobicContact CH2-SD 3.73Å; W739-M799 HydrophobicContact CZ3-CG 4.23Å; W739-M799 HydrophobicContact CZ3-SD 4.15Å; F747-M799 HydrophobicContact CD1-CE 4.24Å; F747-M799 HydrophobicContact CD1-SD 4.35Å; F747-M799 HydrophobicContact CE1-CE 3.79Å; F747-M799 HydrophobicContact CE1-SD 4.46Å; F747-M799 HydrophobicContact CZ-CE 4.16Å; Y770-M799 HydrophobicContact CD2-CG 4.34Å; Y770-M799 HydrophobicContact CE2-CB 4.4Å; Y770-M799 HydrophobicContact CE2-CG 3.76Å; A795-M799 HydrophobicContact CB-CB 3.79Å; A795-M799 HydrophobicContact CB-CE 4.28Å; D796-M799 PolarHBondContact O-N 3.44Å; D796-M799 PolarHBondContact OD1-N 2.83Å; D796-M799 WeakPolarHBondContact OD2-CB 3.38Å; D796-M799 WeakPolarHBondContact OD2-CE 3.41Å; D796-M799 WeakPolarHBondContact OD2-CG 3.4Å; M799-Q803 VanDerWaalsContact O-CB 3.22Å; M799-Q803 WeakPolarHBondContact O-CB 3.37Å; M799-Q803 PolarHBondContact O-N 3.32Å
800S97Very high93.9Very high0 Ų041.6 Ų41.60%020%0.199CC..Hα-helixtrans-64.5-47.9174.7179.20000112P788 Y789 Y791 N792 D796 P797 D798 Q803 Y804P788-S800 CarbonylContact O-C 3.58Å; P788-S800 PolarHBondContact O-OG 3.06Å; Y789-S800 VanDerWaalsContact O-CB 3.25Å; Y789-S800 WeakPolarHBondContact O-CB 3.35Å; Y789-S800 PolarHBondContact O-OG 3Å; Y791-S800 PolarHBondContact N-OG 2.7Å; Y791-S800 VanDerWaalsContact N-OG 3.16Å; N792-S800 PolarHBondContact N-OG 3.34Å; D796-S800 WeakPolarHBondContact O-CB 3.47Å; D796-S800 PolarHBondContact O-N 2.8Å; P797-S800 WeakPolarHBondContact O-CB 3.35Å; P797-S800 PolarHBondContact O-N 2.86Å; D798-S800 PolarHBondContact O-N 3.02Å; S800-Q803 PolarHBondContact O-N 2.81Å; S800-Y804 PolarHBondContact O-N 2.82Å
801F98.1Very high93.9Very high0 Ų039.9 Ų39.90%019%0.186CC..Hα-helixtrans-60-46.7176.2166.6-96.1000111.8V723 V771 Y775 V777 M785 P788 Y789 P797 D798 Q803 Y804 C805 M812V723-F801 HydrophobicContact CG1-CE1 4.43Å; V723-F801 HydrophobicContact CG1-CZ 4.25Å; V723-F801 HydrophobicContact CG2-CZ 4.38Å; V771-F801 HydrophobicContact CG2-CE1 4.46Å; Y775-F801 HydrophobicContact CD2-CE1 4.1Å; Y775-F801 HydrophobicContact CD2-CZ 4.13Å; Y775-F801 HydrophobicContact CE2-CD1 4.16Å; Y775-F801 AromaticContact CE2-CE1 3.55Å; Y775-F801 HydrophobicContact CE2-CE1 3.55Å; Y775-F801 HydrophobicContact CE2-CE2 4.28Å; Y775-F801 AromaticContact CE2-CZ 3.63Å; Y775-F801 HydrophobicContact CE2-CZ 3.63Å; Y775-F801 AromaticContact CZ-CE1 3.95Å; V777-F801 HydrophobicContact CG2-CZ 4.18Å; M785-F801 HydrophobicContact CE-CE2 4.01Å; M785-F801 HydrophobicContact SD-CE2 4.25Å; P788-F801 HydrophobicContact CB-CD2 4.04Å; P788-F801 HydrophobicContact CG-CD2 4.25Å; P788-F801 PolarHBondContact O-N 2.86Å; Y789-F801 HydrophobicContact CD1-CB 3.63Å; Y789-F801 HydrophobicContact CD1-CG 4.39Å; Y789-F801 HydrophobicContact CE1-CB 3.5Å; Y789-F801 VanDerWaalsContact CE1-CB 3.5Å; Y789-F801 HydrophobicContact CE1-CD2 4.02Å; Y789-F801 AromaticContact CE1-CG 3.8Å; Y789-F801 HydrophobicContact CE1-CG 3.8Å; Y789-F801 HydrophobicContact CE2-CD2 4.05Å; Y789-F801 HydrophobicContact CG-CB 4.29Å; Y789-F801 AromaticContact CZ-CD2 3.67Å; Y789-F801 AromaticContact CZ-CG 3.93Å; P797-F801 PolarHBondContact O-N 3.09Å; D798-F801 PolarHBondContact O-N 3.02Å; F801-Q803 VanDerWaalsContact C-N 3.31Å; F801-Q803 PolarHBondContact O-N 3.2Å; F801-Y804 WeakPolarHBondContact O-CB 3.24Å; F801-Y804 PolarHBondContact O-N 3.26Å; F801-C805 PolarHBondContact O-N 2.69Å; F801-C805 PolarHBondContact O-SG 3.32Å; F801-C805 VanDerWaalsContact O-SG 3.35Å; F801-M812 HydrophobicContact CE1-SD 4.41Å
802C97.9Very high94Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-64.3-38.3177.4-66.90000111.4Y770 V771 D798 C805 R806 M812Y770-C802 HydrophobicContact CD2-CB 3.82Å; Y770-C802 VanDerWaalsContact CD2-SG 3.56Å; Y770-C802 HydrophobicContact CG-CB 4.47Å; V771-C802 PolarHBondContact N-SG 2.89Å; V771-C802 VanDerWaalsContact N-SG 3.38Å; V771-C802 PolarHBondContact O-SG 3.16Å; D798-C802 WeakPolarHBondContact O-CB 3.25Å; D798-C802 PolarHBondContact O-N 2.89Å; D798-C802 PolarHBondContact O-SG 3.35Å; C802-C805 PolarHBondContact O-N 2.98Å; C802-R806 WeakPolarHBondContact O-CG 3.33Å; C802-R806 PolarHBondContact O-N 2.83Å; C802-R806 PolarHBondContact O-NH1 2.87Å; C802-M812 HydrophobicContact CB-CE 4.06Å; C802-M812 HydrophobicContact CB-SD 3.95Å; C802-M812 WeakPolarHBondContact O-CE 3.39Å
803Q95.4Very high94.2Very high53 Ų5334 Ų3425%0.24816%0.161CC..Hα-helixtrans-64.4-45.5173.6-176.8178.2-12.700111.6Y791 N792 M799 S800 F801 C805 R806 D807Y791-Q803 HydrophobicContact CD1-CG 4.29Å; Y791-Q803 HydrophobicContact CE1-CG 4.18Å; N792-Q803 PolarHBondContact ND2-OE1 3.33Å; M799-Q803 VanDerWaalsContact O-CB 3.22Å; M799-Q803 WeakPolarHBondContact O-CB 3.37Å; M799-Q803 PolarHBondContact O-N 3.32Å; S800-Q803 PolarHBondContact O-N 2.81Å; F801-Q803 VanDerWaalsContact C-N 3.31Å; F801-Q803 PolarHBondContact O-N 3.2Å; Q803-C805 VanDerWaalsContact C-N 3.27Å; Q803-C805 PolarHBondContact O-N 3.42Å; Q803-R806 PolarHBondContact O-N 3.25Å; Q803-D807 VanDerWaalsContact CG-OD2 3.27Å; Q803-D807 WeakPolarHBondContact CG-OD2 3.37Å; Q803-D807 PolarHBondContact NE2-OD2 3.04Å; Q803-D807 VanDerWaalsContact NE2-OD2 3.1Å; Q803-D807 WeakPolarHBondContact O-CB 3.36Å; Q803-D807 PolarHBondContact O-N 2.82Å
804Y96Very high94.4Very high9 Ų927.8 Ų27.84%0.03513%0.128CC..Hα-helixtrans-53.8-48174.5-178.2-81.8000110.4K784 M785 V786 P788 Y791 S800 F801 D807 K808 Y810K784-Y804 PolarHBondContact O-OH 2.92Å; K784-Y804 VanDerWaalsContact O-OH 3.05Å; M785-Y804 WeakPolarHBondContact CA-OH 3.26Å; M785-Y804 HydrophobicContact CB-CE1 4.39Å; M785-Y804 HydrophobicContact CG-CE1 3.94Å; V786-Y804 PolarHBondContact N-OH 3.04Å; P788-Y804 HydrophobicContact CB-CD1 3.79Å; P788-Y804 HydrophobicContact CB-CD2 4.02Å; P788-Y804 HydrophobicContact CB-CE1 4.32Å; P788-Y804 HydrophobicContact CB-CG 3.65Å; Y791-Y804 HydrophobicContact CD1-CD2 4.32Å; Y791-Y804 AromaticContact CD2-CD2 3.63Å; Y791-Y804 HydrophobicContact CD2-CD2 3.63Å; Y791-Y804 HydrophobicContact CD2-CE2 4.26Å; Y791-Y804 HydrophobicContact CE2-CD2 4.28Å; Y791-Y804 AromaticContact CG-CD2 3.66Å; Y791-Y804 HydrophobicContact CG-CD2 3.66Å; Y791-Y804 HydrophobicContact CG-CG 4.32Å; S800-Y804 PolarHBondContact O-N 2.82Å; F801-Y804 WeakPolarHBondContact O-CB 3.24Å; F801-Y804 PolarHBondContact O-N 3.26Å; Y804-D807 PolarHBondContact O-N 3.42Å; Y804-K808 HydrophobicContact CD1-CG 3.99Å; Y804-K808 HydrophobicContact CE1-CB 4.46Å; Y804-K808 HydrophobicContact CE1-CG 3.65Å; Y804-K808 HydrophobicContact CE2-CG 4.38Å; Y804-K808 HydrophobicContact CG-CG 4.45Å; Y804-K808 WeakPolarHBondContact O-CB 3.34Å; Y804-K808 WeakPolarHBondContact O-CG 3.39Å; Y804-K808 PolarHBondContact O-N 2.95Å; Y804-Y810 HydrophobicContact CE1-CD2 4.39Å; Y804-Y810 HydrophobicContact CE1-CE2 4.02Å
805C95.6Very high94.8Very high0 Ų018.1 Ų18.10%09%0.086CC..Hα-helixtrans-60.2-49.5178.4-68.50000112.1F801 C802 Q803 D807 K808 D809 Y810 M812F801-C805 PolarHBondContact O-N 2.69Å; F801-C805 PolarHBondContact O-SG 3.32Å; F801-C805 VanDerWaalsContact O-SG 3.35Å; C802-C805 PolarHBondContact O-N 2.98Å; Q803-C805 VanDerWaalsContact C-N 3.27Å; Q803-C805 PolarHBondContact O-N 3.42Å; C805-D807 PolarHBondContact O-N 2.93Å; C805-K808 PolarHBondContact O-N 3.03Å; C805-D809 PolarHBondContact O-N 3.36Å; C805-D809 VanDerWaalsContact O-N 3.17Å; C805-Y810 PolarHBondContact O-N 3.13Å; C805-M812 HydrophobicContact CB-CE 3.91Å; C805-M812 HydrophobicContact CB-CG 4.01Å; C805-M812 HydrophobicContact CB-SD 3.69Å
806R92Very high95.1Very high59 Ų5918.1 Ų18.122%0.2238%0.084CC..Hα-helixtrans-59.7-42.7176.1-67.3-173.5-51.1-90.21.7112.6I742 P769 C802 Q803 K808 D809 M812I742-R806 VanDerWaalsContact CD1-CZ 3.46Å; P769-R806 WeakPolarHBondContact O-CD 3.32Å; P769-R806 PolarHBondContact O-NH1 2.69Å; C802-R806 WeakPolarHBondContact O-CG 3.33Å; C802-R806 PolarHBondContact O-N 2.83Å; C802-R806 PolarHBondContact O-NH1 2.87Å; Q803-R806 PolarHBondContact O-N 3.25Å; R806-K808 PolarHBondContact O-N 2.98Å; R806-D809 PolarHBondContact O-N 2.85Å; R806-M812 HydrophobicContact CG-CE 3.85Å
807D89Confident95.3Very high20 Ų2016.9 Ų16.911%0.1078%0.078CC..Hα-helixtrans-73.5-13.1-178.6-76.8-30.7000113.8R364 Y791 Q803 Y804 C805R364-D807 IonicContact CZ-OD1 3.55Å; R364-D807 VanDerWaalsContact CZ-OD1 3.25Å; R364-D807 IonicContact NH1-OD1 2.69Å; R364-D807 PolarHBondContact NH1-OD1 3.01Å; R364-D807 IonicContact NH2-OD1 3.69Å; R364-D807 PolarHBondContact NH2-OD1 3.28Å; Y791-D807 HydrophobicContact CE1-CB 4.1Å; Y791-D807 WeakPolarHBondContact CE1-OD2 3.25Å; Q803-D807 VanDerWaalsContact CG-OD2 3.27Å; Q803-D807 WeakPolarHBondContact CG-OD2 3.37Å; Q803-D807 PolarHBondContact NE2-OD2 3.04Å; Q803-D807 VanDerWaalsContact NE2-OD2 3.1Å; Q803-D807 WeakPolarHBondContact O-CB 3.36Å; Q803-D807 PolarHBondContact O-N 2.82Å; Y804-D807 PolarHBondContact O-N 3.42Å; C805-D807 PolarHBondContact O-N 2.93Å
808K88.8Confident95.3Very high66 Ų6619.2 Ų19.229%0.2879%0.092SC..THydrogen-bonded Turntrans-106.12.8174.8-64.2-62.8-175.8178.40114.6L400 Y804 C805 R806 Y810L400-K808 HydrophobicContact CD2-CD 4.1Å; Y804-K808 HydrophobicContact CD1-CG 3.99Å; Y804-K808 HydrophobicContact CE1-CB 4.46Å; Y804-K808 HydrophobicContact CE1-CG 3.65Å; Y804-K808 HydrophobicContact CE2-CG 4.38Å; Y804-K808 HydrophobicContact CG-CG 4.45Å; Y804-K808 WeakPolarHBondContact O-CB 3.34Å; Y804-K808 WeakPolarHBondContact O-CG 3.39Å; Y804-K808 PolarHBondContact O-N 2.95Å; C805-K808 PolarHBondContact O-N 3.03Å; R806-K808 PolarHBondContact O-N 2.98Å; K808-Y810 VanDerWaalsContact C-N 3.32Å; K808-Y810 HydrophobicContact CB-CD1 3.88Å; K808-Y810 HydrophobicContact CB-CD2 4.01Å; K808-Y810 HydrophobicContact CB-CE1 3.74Å; K808-Y810 HydrophobicContact CB-CE2 3.9Å; K808-Y810 HydrophobicContact CB-CG 3.99Å; K808-Y810 HydrophobicContact CG-CE2 4.42Å; K808-Y810 VanDerWaalsContact O-CD1 3.23Å; K808-Y810 WeakPolarHBondContact O-CD1 3.4Å; K808-Y810 VanDerWaalsContact O-CE1 3.25Å; K808-Y810 WeakPolarHBondContact O-CE1 3.5Å
809D88.1Confident95.3Very high13 Ų1323.9 Ų23.97%0.0711%0.114CC..THydrogen-bonded Turntrans56.642.3-170.7-166.140.9000113.3T332 D333 G334 S402 C805 R806 F811T332-D809 WeakPolarHBondContact CB-OD2 3.5Å; T332-D809 PolarHBondContact OG1-OD2 3.41Å; D333-D809 WeakPolarHBondContact CB-O 3.4Å; G334-D809 PolarHBondContact N-OD2 2.88Å; S402-D809 WeakPolarHBondContact CA-OD2 3.21Å; S402-D809 WeakPolarHBondContact CB-OD1 3.38Å; S402-D809 VanDerWaalsContact CB-OD2 3.26Å; S402-D809 WeakPolarHBondContact CB-OD2 3.5Å; C805-D809 PolarHBondContact O-N 3.36Å; C805-D809 VanDerWaalsContact O-N 3.17Å; R806-D809 PolarHBondContact O-N 2.85Å; D809-F811 WeakPolarHBondContact OD1-CE1 3.4Å
810Y93.2Very high95.3Very high24 Ų2422.9 Ų22.99%0.09411%0.109CC..  trans-100.2107.4172.5-58.7-7.4000107.6D333 R781 K784 M785 Y804 C805 K808D333-Y810 VanDerWaalsContact OD2-CA 3.3Å; D333-Y810 WeakPolarHBondContact OD2-CA 3.38Å; R781-Y810 HydrophobicContact CB-CD2 4.09Å; R781-Y810 HydrophobicContact CB-CE2 4.24Å; R781-Y810 HydrophobicContact CB-CG 4.42Å; R781-Y810 HydrophobicContact CG-CG 4.39Å; K784-Y810 WeakPolarHBondContact CB-OH 3.28Å; M785-Y810 HydrophobicContact CE-CD2 4.06Å; M785-Y810 HydrophobicContact CG-CE2 4.44Å; Y804-Y810 HydrophobicContact CE1-CD2 4.39Å; Y804-Y810 HydrophobicContact CE1-CE2 4.02Å; C805-Y810 PolarHBondContact O-N 3.13Å; K808-Y810 VanDerWaalsContact C-N 3.32Å; K808-Y810 HydrophobicContact CB-CD1 3.88Å; K808-Y810 HydrophobicContact CB-CD2 4.01Å; K808-Y810 HydrophobicContact CB-CE1 3.74Å; K808-Y810 HydrophobicContact CB-CE2 3.9Å; K808-Y810 HydrophobicContact CB-CG 3.99Å; K808-Y810 HydrophobicContact CG-CE2 4.42Å; K808-Y810 VanDerWaalsContact O-CD1 3.23Å; K808-Y810 WeakPolarHBondContact O-CD1 3.4Å; K808-Y810 VanDerWaalsContact O-CE1 3.25Å; K808-Y810 WeakPolarHBondContact O-CE1 3.5Å
811F95.8Very high95.3Very high6 Ų623 Ų233%0.02611%0.111CC..  trans-70.7137-178.2-73.5-2.8000110.4D333 R337 N559 P722 V723 N767 D809 Y813D333-F811 HydrophobicContact CB-CB 3.98Å; D333-F811 HydrophobicContact CB-CD1 3.93Å; D333-F811 HydrophobicContact CB-CD2 3.67Å; D333-F811 HydrophobicContact CB-CE1 4.36Å; D333-F811 HydrophobicContact CB-CE2 4.13Å; D333-F811 HydrophobicContact CB-CG 3.57Å; D333-F811 HydrophobicContact CB-CZ 4.46Å; D333-F811 WeakPolarHBondContact O-CE2 3.45Å; D333-F811 PolarHBondContact OD2-N 3.33Å; R337-F811 HydrophobicContact CB-CE2 4.16Å; N559-F811 WeakPolarHBondContact ND2-CE1 3.45Å; P722-F811 HydrophobicContact CG-CB 4.37Å; P722-F811 WeakPolarHBondContact CG-O 3.46Å; V723-F811 PolarHBondContact N-O 2.83Å; N767-F811 WeakPolarHBondContact ND2-CD2 3.46Å; N767-F811 VanDerWaalsContact ND2-CE2 3.25Å; N767-F811 WeakPolarHBondContact ND2-CE2 3.29Å; N767-F811 VanDerWaalsContact ND2-CG 3.29Å; N767-F811 WeakPolarHBondContact ND2-CG 3.46Å; D809-F811 WeakPolarHBondContact OD1-CE1 3.4Å; F811-Y813 HydrophobicContact CB-CD2 4.32Å; F811-Y813 HydrophobicContact CB-CE2 3.59Å
812M98.1Very high95.2Very high2 Ų224.2 Ų24.21%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-109.6128.6175.4-63.4168.1-73.400107.5V723 N767 V768 P769 V771 F801 C802 C805 R806V723-M812 HydrophobicContact CB-CB 4.45Å; V723-M812 HydrophobicContact CB-CG 4.03Å; V723-M812 HydrophobicContact CG1-CB 4.44Å; V723-M812 HydrophobicContact CG1-CG 4.05Å; V723-M812 HydrophobicContact CG2-CG 4.46Å; N767-M812 CarbonylContact C-O 3.52Å; N767-M812 WeakPolarHBondContact CA-O 3.45Å; V768-M812 PolarHBondContact N-O 3.22Å; P769-M812 VanDerWaalsContact O-CE 3.25Å; P769-M812 WeakPolarHBondContact O-CE 3.35Å; V771-M812 HydrophobicContact CG1-CB 4.19Å; V771-M812 HydrophobicContact CG2-CB 4.1Å; V771-M812 HydrophobicContact CG2-CG 4.24Å; V771-M812 HydrophobicContact CG2-SD 4.08Å; F801-M812 HydrophobicContact CE1-SD 4.41Å; C802-M812 HydrophobicContact CB-CE 4.06Å; C802-M812 HydrophobicContact CB-SD 3.95Å; C802-M812 WeakPolarHBondContact O-CE 3.39Å; C805-M812 HydrophobicContact CB-CE 3.91Å; C805-M812 HydrophobicContact CB-CG 4.01Å; C805-M812 HydrophobicContact CB-SD 3.69Å; R806-M812 HydrophobicContact CG-CE 3.85Å
813Y98.3Very high95.1Very high18 Ų1824.3 Ų24.37%0.07112%0.116CC..EExtended strand (participates in β ladder)trans-112.6145.5-177.3-66.9-90.4000111W568 K721 P722 V723 V724 A725 I765 W766 N767 F811W568-Y813 AromaticContact CH2-CE1 3.94Å; W568-Y813 HydrophobicContact CH2-CE1 3.94Å; W568-Y813 HydrophobicContact CZ2-CD1 4.49Å; W568-Y813 AromaticContact CZ2-CE1 3.78Å; W568-Y813 HydrophobicContact CZ2-CE1 3.78Å; K721-Y813 HydrophobicContact CB-CD2 3.79Å; K721-Y813 HydrophobicContact CB-CE2 4.24Å; K721-Y813 HydrophobicContact CB-CG 4.38Å; K721-Y813 HydrophobicContact CD-CD2 4.35Å; K721-Y813 HydrophobicContact CD-CE2 4.19Å; K721-Y813 HydrophobicContact CG-CD2 3.98Å; K721-Y813 HydrophobicContact CG-CE2 4.32Å; K721-Y813 HydrophobicContact CG-CG 4.19Å; P722-Y813 HydrophobicContact CG-CD2 4.38Å; P722-Y813 HydrophobicContact CG-CE2 3.91Å; V723-Y813 PolarHBondContact O-N 3.2Å; V724-Y813 CarbonylContact C-O 3.53Å; V724-Y813 WeakPolarHBondContact CA-O 3.24Å; A725-Y813 PolarHBondContact N-O 2.92Å; I765-Y813 HydrophobicContact CG2-CD1 3.68Å; I765-Y813 HydrophobicContact CG2-CG 4.04Å; W766-Y813 CarbonylContact O-C 3.22Å; W766-Y813 WeakPolarHBondContact O-CA 3.44Å; N767-Y813 HydrophobicContact CB-CD1 4.16Å; N767-Y813 HydrophobicContact CB-CE1 3.88Å; F811-Y813 HydrophobicContact CB-CD2 4.32Å; F811-Y813 HydrophobicContact CB-CE2 3.59Å
814V98.5Very high95.1Very high0 Ų022 Ų220%011%0.105CC..EExtended strand (participates in β ladder)trans-111.9128.1161.566.90000109.6A725 L727 F738 I765 W766 V768A725-V814 CarbonylContact O-C 3.48Å; A725-V814 VanDerWaalsContact O-CA 3.31Å; A725-V814 WeakPolarHBondContact O-CA 3.5Å; L727-V814 HydrophobicContact CB-CG2 3.92Å; L727-V814 HydrophobicContact CD1-CG2 4.22Å; F738-V814 HydrophobicContact CB-CB 4.24Å; F738-V814 HydrophobicContact CB-CG1 4.37Å; F738-V814 HydrophobicContact CB-CG2 4.35Å; F738-V814 HydrophobicContact CD1-CB 4.44Å; F738-V814 HydrophobicContact CD1-CG1 4.09Å; F738-V814 HydrophobicContact CD1-CG2 4.05Å; F738-V814 HydrophobicContact CD2-CG1 3.95Å; F738-V814 HydrophobicContact CE1-CG1 4.36Å; F738-V814 HydrophobicContact CE2-CG1 4.22Å; F738-V814 HydrophobicContact CG-CB 4.23Å; F738-V814 HydrophobicContact CG-CG1 3.88Å; F738-V814 HydrophobicContact CG-CG2 4.29Å; F738-V814 HydrophobicContact CZ-CG1 4.42Å; I765-V814 WeakPolarHBondContact CA-O 3.43Å; W766-V814 HydrophobicContact CB-CG1 3.97Å; W766-V814 HydrophobicContact CG-CG1 4.45Å; W766-V814 PolarHBondContact N-O 3.43Å; W766-V814 PolarHBondContact O-N 3.41Å; V768-V814 HydrophobicContact CG1-CG1 3.84Å; V768-V814 HydrophobicContact CG2-CB 4.18Å; V768-V814 HydrophobicContact CG2-CG1 4.06Å
815D98.1Very high94.9Very high0 Ų022.7 Ų22.70%011%0.109CC..EExtended strand (participates in β ladder)trans-99.4117.4177.7-170.9-24.1000109.4R719 V724 A725 L727 I765 T817 Y820R719-D815 WeakPolarHBondContact CG-OD2 3.4Å; R719-D815 IonicContact CZ-OD2 3.49Å; R719-D815 IonicContact NE-OD2 3.33Å; R719-D815 PolarHBondContact NE-OD2 3.43Å; R719-D815 IonicContact NH2-OD2 2.73Å; V724-D815 HydrophobicContact CG2-CB 4.2Å; A725-D815 PolarHBondContact O-N 3.02Å; L727-D815 PolarHBondContact N-O 3.02Å; I765-D815 HydrophobicContact CG1-CB 4.13Å; D815-T817 VanDerWaalsContact OD1-CB 3.22Å; D815-T817 WeakPolarHBondContact OD1-CB 3.34Å; D815-T817 VanDerWaalsContact OD1-CG2 3.28Å; D815-T817 WeakPolarHBondContact OD1-CG2 3.46Å; D815-T817 PolarHBondContact OD1-N 3.38Å; D815-T817 PolarHBondContact OD1-OG1 3.26Å; D815-T817 PolarHBondContact OD2-OG1 2.59Å; D815-Y820 HydrophobicContact CB-CE2 4.13Å; D815-Y820 VanDerWaalsContact CG-OH 3.23Å; D815-Y820 WeakPolarHBondContact O-CE2 3.22Å; D815-Y820 PolarHBondContact OD2-OH 2.92Å; D815-Y820 VanDerWaalsContact OD2-OH 3.09Å
816N97.7Very high94.6Very high13 Ų1324.1 Ų24.17%0.0712%0.117CC..  trans-117.622.3170.977.7-22.3000112.8L727 I757 R762 V763 G764 W766 V818L727-N816 HydrophobicContact CB-CB 3.76Å; L727-N816 HydrophobicContact CD2-CB 3.51Å; L727-N816 HydrophobicContact CG-CB 4.27Å; I757-N816 PolarHBondContact O-ND2 3.09Å; R762-N816 PolarHBondContact O-ND2 3.02Å; V763-N816 WeakPolarHBondContact CA-OD1 3.47Å; G764-N816 PolarHBondContact N-OD1 2.84Å; G764-N816 PolarHBondContact O-N 2.9Å; G764-N816 PolarHBondContact O-OD1 3.35Å; W766-N816 PolarHBondContact NE1-OD1 2.76Å; N816-V818 PolarHBondContact O-N 3.2Å
817T96.1Very high94.3Very high35 Ų3531 Ų3122%0.21514%0.144CC..SBendtrans-64.7-21.7178.859.50000113.9C578 R719 I765 D815C578-T817 HydrophobicContact CB-CG2 4.47Å; R719-T817 PolarHBondContact NH2-OG1 3.24Å; I765-T817 HydrophobicContact CG1-CG2 4.14Å; D815-T817 VanDerWaalsContact OD1-CB 3.22Å; D815-T817 WeakPolarHBondContact OD1-CB 3.34Å; D815-T817 VanDerWaalsContact OD1-CG2 3.28Å; D815-T817 WeakPolarHBondContact OD1-CG2 3.46Å; D815-T817 PolarHBondContact OD1-N 3.38Å; D815-T817 PolarHBondContact OD1-OG1 3.26Å; D815-T817 PolarHBondContact OD2-OG1 2.59Å
818V95.3Very high94Very high54 Ų5433.6 Ų33.633%0.32718%0.176SC..SBendtrans-140.3162.1171.8-620000110.1L715 N816 Y820L715-V818 HydrophobicContact CD1-CG2 4.16Å; N816-V818 PolarHBondContact O-N 3.2Å; V818-Y820 HydrophobicContact CG2-CD1 4Å; V818-Y820 HydrophobicContact CG2-CD2 3.9Å; V818-Y820 HydrophobicContact CG2-CE1 3.65Å; V818-Y820 HydrophobicContact CG2-CE2 3.51Å; V818-Y820 HydrophobicContact CG2-CG 4.13Å; V818-Y820 VanDerWaalsContact O-CD2 3.22Å; V818-Y820 WeakPolarHBondContact O-CD2 3.49Å; V818-Y820 PolarHBondContact O-N 3.21Å
819E95.5Very high94Very high109 Ų10932 Ų3251%0.50917%0.168SC..  trans-77.4111.3168.3-168.1157.8-143.200108.9R709 R729R709-E819 VanDerWaalsContact CD-O 3.29Å; R709-E819 WeakPolarHBondContact CD-O 3.29Å; R729-E819 IonicContact NH2-OE1 2.63Å; R729-E819 PolarHBondContact NH2-OE1 3.24Å
820Y97.2Very high93.9Very high0 Ų035 Ų350%018%0.184CC..  trans-90.4-33.5-178.4-72.1-82000112.9L707 E708 T712 L715 P726 D815 V818L707-Y820 CarbonylContact C-O 3.56Å; L707-Y820 WeakPolarHBondContact CA-O 3.39Å; E708-Y820 PolarHBondContact N-O 3.22Å; T712-Y820 HydrophobicContact CG2-CD1 3.63Å; T712-Y820 HydrophobicContact CG2-CE1 4.03Å; L715-Y820 HydrophobicContact CB-CE1 4.16Å; L715-Y820 HydrophobicContact CD1-CE1 3.9Å; P726-Y820 HydrophobicContact CB-CD1 3.73Å; P726-Y820 HydrophobicContact CB-CD2 3.43Å; P726-Y820 VanDerWaalsContact CB-CD2 3.43Å; P726-Y820 HydrophobicContact CB-CE1 4.2Å; P726-Y820 HydrophobicContact CB-CE2 3.95Å; P726-Y820 HydrophobicContact CB-CG 3.31Å; D815-Y820 HydrophobicContact CB-CE2 4.13Å; D815-Y820 VanDerWaalsContact CG-OH 3.23Å; D815-Y820 WeakPolarHBondContact O-CE2 3.22Å; D815-Y820 PolarHBondContact OD2-OH 2.92Å; D815-Y820 VanDerWaalsContact OD2-OH 3.09Å; V818-Y820 HydrophobicContact CG2-CD1 4Å; V818-Y820 HydrophobicContact CG2-CD2 3.9Å; V818-Y820 HydrophobicContact CG2-CE1 3.65Å; V818-Y820 HydrophobicContact CG2-CE2 3.51Å; V818-Y820 HydrophobicContact CG2-CG 4.13Å; V818-Y820 VanDerWaalsContact O-CD2 3.22Å; V818-Y820 WeakPolarHBondContact O-CD2 3.49Å; V818-Y820 PolarHBondContact O-N 3.21Å
821G96Very high93.6Very high3 Ų334.9 Ų34.93%0.03119%0.187CC..EExtended strand (participates in β ladder)trans154.9-147.4-175.900000112.5R706R706-G821 CarbonylContact O-C 3.54Å; R706-G821 WeakPolarHBondContact O-CA 3.37Å
822R96.3Very high92.9Very high25 Ų2537.9 Ų37.99%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-145.6163.5-171.362.5-175.2135.9-79.3-8.7113.4R706 E708 R729 L824 E847R706-R822 HydrophobicContact CB-CG 4.25Å; R706-R822 PolarHBondContact N-O 2.86Å; R706-R822 PolarHBondContact O-N 2.92Å; E708-R822 IonicContact OE1-CZ 2.78Å; E708-R822 IonicContact OE1-NH1 3.95Å; E708-R822 PolarHBondContact OE1-NH1 2.74Å; E708-R822 IonicContact OE1-NH2 3.29Å; E708-R822 PolarHBondContact OE1-NH2 3.39Å; E708-R822 IonicContact OE2-NH1 2.74Å; R729-R822 VanDerWaalsContact O-CA 3.29Å; R729-R822 WeakPolarHBondContact O-CA 3.43Å; R729-R822 VanDerWaalsContact O-CB 3.23Å; R729-R822 WeakPolarHBondContact O-CB 3.5Å; R822-L824 HydrophobicContact CG-CD2 4.4Å; R822-E847 IonicContact CZ-OE1 3.26Å; R822-E847 VanDerWaalsContact NE-CD 3.34Å; R822-E847 IonicContact NE-OE1 2.75Å; R822-E847 PolarHBondContact NE-OE1 2.79Å; R822-E847 IonicContact NE-OE2 3.49Å; R822-E847 PolarHBondContact NE-OE2 3.06Å; R822-E847 IonicContact NH2-OE1 3.77Å; R822-E847 PolarHBondContact NH2-OE1 2.78Å
823S96.2Very high92.1Very high2 Ų241.1 Ų41.11%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-101.4143.8164.256.20000110.2N704 R729 T730N704-S823 WeakPolarHBondContact O-CA 3.35Å; R729-S823 PolarHBondContact O-N 3.26Å; T730-S823 WeakPolarHBondContact CA-O 3.48Å; T730-S823 PolarHBondContact N-OG 3.28Å; T730-S823 PolarHBondContact OG1-OG 2.74Å
824L95.3Very high90.7Very high5 Ų543 Ų433%0.02625%0.246CC..  trans-87.3147.5178.7-55.8-168.9000111.3P606 F607 N704 R706 R822 D826 N844 E847P606-L824 HydrophobicContact CG-CB 4.19Å; P606-L824 HydrophobicContact CG-CD1 4.03Å; F607-L824 HydrophobicContact CD2-CD1 4.41Å; N704-L824 HydrophobicContact CB-CB 4.48Å; N704-L824 PolarHBondContact O-N 3.43Å; R706-L824 HydrophobicContact CG-CD1 4.05Å; R706-L824 HydrophobicContact CG-CD2 3.92Å; R706-L824 HydrophobicContact CG-CG 4.02Å; R822-L824 HydrophobicContact CG-CD2 4.4Å; L824-D826 PolarHBondContact O-N 2.85Å; L824-N844 VanDerWaalsContact CA-OD1 3.31Å; L824-N844 WeakPolarHBondContact CA-OD1 3.49Å; L824-N844 WeakPolarHBondContact CB-OD1 3.41Å; L824-E847 HydrophobicContact CD1-CG 4.13Å; L824-E847 HydrophobicContact CD2-CG 3.73Å; L824-E847 WeakPolarHBondContact CD2-OE2 3.11Å
825D91.6Very high89.7Confident23 Ų2343.2 Ų43.212%0.12325%0.248CC..  trans-84.9101.8169.2-172.38.4000109.1T730 R733 Y827 N844T730-D825 HydrophobicContact CG2-CB 4.19Å; R733-D825 IonicContact CZ-OD2 2.76Å; R733-D825 IonicContact NH1-OD1 3.63Å; R733-D825 IonicContact NH1-OD2 3.9Å; R733-D825 PolarHBondContact NH1-OD2 3.49Å; R733-D825 IonicContact NH2-OD2 3.9Å; R733-D825 PolarHBondContact NH2-OD2 3.28Å; D825-Y827 VanDerWaalsContact C-N 3.35Å; D825-Y827 WeakPolarHBondContact OD1-CB 3.44Å; D825-Y827 PolarHBondContact OD1-N 3.24Å; D825-N844 PolarHBondContact N-OD1 3.22Å; D825-N844 PolarHBondContact O-ND2 2.57Å
826D89.4Confident88.9Confident29 Ų2943.6 Ų43.616%0.15525%0.25CS..  trans-91.57.2177.356.548000113.3K603 N704 L824 G828 Y829K603-D826 WeakPolarHBondContact CE-OD2 3.41Å; K603-D826 IonicContact NZ-OD1 3.03Å; K603-D826 PolarHBondContact NZ-OD1 3.1Å; K603-D826 IonicContact NZ-OD2 2.7Å; K603-D826 PolarHBondContact NZ-OD2 3.33Å; N704-D826 PolarHBondContact ND2-OD2 3.49Å; L824-D826 PolarHBondContact O-N 2.85Å; D826-G828 PolarHBondContact O-N 2.94Å; D826-G828 VanDerWaalsContact O-N 3.15Å; D826-Y829 WeakPolarHBondContact O-CB 3.46Å; D826-Y829 PolarHBondContact O-N 2.7Å; D826-Y829 VanDerWaalsContact O-N 3.12Å
827Y85.8Confident88.7Confident205 Ų20543.8 Ų43.880%0.80425%0.251SS*.THydrogen-bonded Turntrans-65.4115.5-176.8-171.7-94.6000112.3D825 Y829D825-Y827 VanDerWaalsContact C-N 3.35Å; D825-Y827 WeakPolarHBondContact OD1-CB 3.44Å; D825-Y827 PolarHBondContact OD1-N 3.24Å; Y827-Y829 VanDerWaalsContact C-N 3.32Å
828G82Confident88.6Confident74 Ų7442.3 Ų42.376%0.76324%0.242SC*.THydrogen-bonded Turntrans78.211.4-178.900000114.5D826 D830D826-G828 PolarHBondContact O-N 2.94Å; D826-G828 VanDerWaalsContact O-N 3.15Å; G828-D830 PolarHBondContact O-N 2.9Å
829Y89.5Confident88.5Confident31 Ų3141.5 Ų41.512%0.12224%0.241CC..  trans-69.4126.3175.2-174.1-84.2000111.5P604 P606 Y636 D826 Y827 D837 N840P604-Y829 HydrophobicContact CB-CD1 3.8Å; P604-Y829 HydrophobicContact CB-CE1 4.47Å; P604-Y829 WeakPolarHBondContact CB-O 3.49Å; P606-Y829 VanDerWaalsContact CA-CE2 3.49Å; P606-Y829 HydrophobicContact CB-CD2 3.62Å; P606-Y829 HydrophobicContact CB-CE2 3.58Å; P606-Y829 HydrophobicContact CB-CG 4.48Å; P606-Y829 HydrophobicContact CG-CD2 4.19Å; Y636-Y829 VanDerWaalsContact OH-CE1 3.25Å; Y636-Y829 WeakPolarHBondContact OH-CE1 3.48Å; D826-Y829 WeakPolarHBondContact O-CB 3.46Å; D826-Y829 PolarHBondContact O-N 2.7Å; D826-Y829 VanDerWaalsContact O-N 3.12Å; Y827-Y829 VanDerWaalsContact C-N 3.32Å; Y829-D837 PolarHBondContact OH-OD1 2.73Å; Y829-N840 WeakPolarHBondContact CD2-ND2 3.27Å
830D86.6Confident88.3Confident77 Ų7737 Ų3741%0.41222%0.22SC..  trans-107.9110.6175.5178.510.8000111.2G828 A832 N833 S836G828-D830 PolarHBondContact O-N 2.9Å; D830-A832 VanDerWaalsContact C-N 3.25Å; D830-A832 PolarHBondContact O-N 2.91Å; D830-A832 WeakPolarHBondContact OD1-CB 3.4Å; D830-A832 PolarHBondContact OD1-N 3.31Å; D830-N833 HydrophobicContact CB-CB 4.44Å; D830-S836 WeakPolarHBondContact O-CB 3.5Å; D830-S836 PolarHBondContact O-OG 3.09Å
831S85.4Confident88.2Confident21 Ų2137.2 Ų37.215%0.14722%0.221CC..THydrogen-bonded Turntrans-71.9-11.1178.264.10000115.3V633 N635 Y636V633-S831 WeakPolarHBondContact CG1-OG 3.27Å; N635-S831 WeakPolarHBondContact CB-O 3.42Å; N635-S831 VanDerWaalsContact ND2-C 3.32Å; N635-S831 PolarHBondContact ND2-O 2.83Å; N635-S831 PolarHBondContact ND2-OG 2.97Å; Y636-S831 WeakPolarHBondContact OH-CB 3.49Å
832A83Confident87.8Confident70 Ų7042.2 Ų42.258%0.57925%0.247SC*.THydrogen-bonded Turntrans-87.8-24.418000000112.8N635 D830N635-A832 WeakPolarHBondContact ND2-CA 3.3Å; N635-A832 PolarHBondContact ND2-N 2.95Å; D830-A832 VanDerWaalsContact C-N 3.25Å; D830-A832 PolarHBondContact O-N 2.91Å; D830-A832 WeakPolarHBondContact OD1-CB 3.4Å; D830-A832 PolarHBondContact OD1-N 3.31Å
833N81Confident87.5Confident69 Ų6943.2 Ų43.237%0.36926%0.258SS..SBendtrans-83.1124.9178.9172.721.9000111.2D830 S835 S836D830-N833 HydrophobicContact CB-CB 4.44Å; N833-S835 PolarHBondContact ND2-OG 3.18Å; N833-S835 PolarHBondContact O-N 3.49Å; N833-S835 PolarHBondContact OD1-N 2.87Å; N833-S835 PolarHBondContact OD1-OG 3.49Å; N833-S836 WeakPolarHBondContact CB-OG 3.49Å; N833-S836 WeakPolarHBondContact O-CB 3.34Å; N833-S836 PolarHBondContact O-N 3.22Å; N833-S836 PolarHBondContact O-OG 3.3Å
834S68.3Low87.4Confident57 Ų5743.4 Ų43.440%0.39926%0.259SS..THydrogen-bonded Turntrans-60.6-23.317952.40000113.9
835S76.9Confident87.3Confident6 Ų646.3 Ų46.34%0.04227%0.271CS..THydrogen-bonded Turntrans-90.52.5-179.977.20000114.8N833 L838 A839 T891N833-S835 PolarHBondContact ND2-OG 3.18Å; N833-S835 PolarHBondContact O-N 3.49Å; N833-S835 PolarHBondContact OD1-N 2.87Å; N833-S835 PolarHBondContact OD1-OG 3.49Å; S835-L838 WeakPolarHBondContact O-CB 3.25Å; S835-L838 PolarHBondContact O-N 2.97Å; S835-A839 WeakPolarHBondContact O-CB 3.5Å; S835-A839 PolarHBondContact O-N 3.07Å; S835-T891 WeakPolarHBondContact CB-OG1 3.4Å
836S82.5Confident87.5Confident8 Ų848.6 Ų48.66%0.05628%0.28CS..THydrogen-bonded Turntrans-68.1-41.2-167.2-72.80000115.4D830 N833 A839 N840D830-S836 WeakPolarHBondContact O-CB 3.5Å; D830-S836 PolarHBondContact O-OG 3.09Å; N833-S836 WeakPolarHBondContact CB-OG 3.49Å; N833-S836 WeakPolarHBondContact O-CB 3.34Å; N833-S836 PolarHBondContact O-N 3.22Å; N833-S836 PolarHBondContact O-OG 3.3Å; S836-A839 PolarHBondContact O-N 2.85Å; S836-N840 PolarHBondContact O-N 3.49Å; S836-N840 PolarHBondContact O-ND2 3.07Å
837D93.4Very high87.7Confident17 Ų1747.6 Ų47.69%0.09127%0.274CS..THydrogen-bonded Turntrans-66.7-40.6172.6-88.9-8.5000110.7P606 F607 Y829 A839 N840 K851 Y852P606-D837 WeakPolarHBondContact CA-OD1 3.48Å; F607-D837 HydrophobicContact CD1-CB 4.03Å; F607-D837 VanDerWaalsContact CD1-CG 3.48Å; F607-D837 HydrophobicContact CE1-CB 3.72Å; F607-D837 HydrophobicContact CZ-CB 4.44Å; F607-D837 PolarHBondContact N-OD1 3.12Å; Y829-D837 PolarHBondContact OH-OD1 2.73Å; D837-A839 VanDerWaalsContact C-N 3.28Å; D837-A839 PolarHBondContact O-N 3.48Å; D837-N840 WeakPolarHBondContact O-CB 3.29Å; D837-N840 PolarHBondContact O-N 2.94Å; D837-K851 IonicContact OD2-NZ 3.52Å; D837-K851 PolarHBondContact OD2-NZ 2.76Å; D837-Y852 HydrophobicContact CB-CE2 4.09Å; D837-Y852 WeakPolarHBondContact CB-OH 3.32Å
838L93.7Very high88.2Confident4 Ų437.9 Ų37.92%0.02124%0.236CC..G310 helixtrans-57.6-41.4174-75.1173.7000111.8S835 N840 W848 Y852 F884 D887 L888 L927 V930S835-L838 WeakPolarHBondContact O-CB 3.25Å; S835-L838 PolarHBondContact O-N 2.97Å; L838-N840 PolarHBondContact O-N 2.96Å; L838-W848 PolarHBondContact O-NE1 2.86Å; L838-Y852 HydrophobicContact CD2-CD1 4.27Å; L838-Y852 HydrophobicContact CD2-CD2 4.23Å; L838-Y852 HydrophobicContact CD2-CE1 3.9Å; L838-Y852 HydrophobicContact CD2-CE2 3.87Å; L838-Y852 HydrophobicContact CD2-CG 4.4Å; L838-Y852 HydrophobicContact CG-CE2 4.3Å; L838-F884 HydrophobicContact CD2-CD2 3.36Å; L838-F884 HydrophobicContact CD2-CE2 3.45Å; L838-F884 VanDerWaalsContact CD2-CE2 3.45Å; L838-F884 HydrophobicContact CD2-CG 4.33Å; L838-F884 HydrophobicContact CD2-CZ 4.44Å; L838-D887 HydrophobicContact CD1-CB 3.96Å; L838-D887 HydrophobicContact CD2-CB 4.43Å; L838-D887 HydrophobicContact CG-CB 4.09Å; L838-L888 HydrophobicContact CD1-CB 4.34Å; L838-L888 HydrophobicContact CD1-CD1 4.35Å; L838-L927 HydrophobicContact CD1-CD1 4.49Å; L838-V930 WeakPolarHBondContact O-CG1 3.08Å
839A92.4Very high88.9Confident36 Ų3637.1 Ų37.130%0.29821%0.213SC..G310 helixtrans-69.1-13.7179.400000113.8S835 S836 D837 L841 L927S835-A839 WeakPolarHBondContact O-CB 3.5Å; S835-A839 PolarHBondContact O-N 3.07Å; S836-A839 PolarHBondContact O-N 2.85Å; D837-A839 VanDerWaalsContact C-N 3.28Å; D837-A839 PolarHBondContact O-N 3.48Å; A839-L841 PolarHBondContact O-N 2.67Å; A839-L927 HydrophobicContact CB-CD2 4.01Å
840N92.4Very high89.2Confident16 Ų1642.3 Ų42.39%0.08623%0.232CC..G310 helixtrans-83.82.6-169-103.2-100000116.3F607 Y829 S836 D837 L838 L842 S843 N844F607-N840 HydrophobicContact CE2-CB 4.01Å; F607-N840 HydrophobicContact CZ-CB 3.89Å; Y829-N840 WeakPolarHBondContact CD2-ND2 3.27Å; S836-N840 PolarHBondContact O-N 3.49Å; S836-N840 PolarHBondContact O-ND2 3.07Å; D837-N840 WeakPolarHBondContact O-CB 3.29Å; D837-N840 PolarHBondContact O-N 2.94Å; L838-N840 PolarHBondContact O-N 2.96Å; N840-L842 PolarHBondContact O-N 3.35Å; N840-L842 VanDerWaalsContact O-N 3.12Å; N840-S843 PolarHBondContact O-N 3.33Å; N840-N844 PolarHBondContact O-N 2.78Å; N840-N844 PolarHBondContact OD1-ND2 3.39Å
841L93.7Very high89.6Confident4 Ų439.9 Ų39.92%0.02122%0.218CC..G310 helixtrans-50.3-37.9177.4174.857.9000113.5A839 K845 W848 V930 K933 I934 Y938A839-L841 PolarHBondContact O-N 2.67Å; L841-K845 HydrophobicContact CD1-CB 4.48Å; L841-K845 HydrophobicContact CD1-CD 4.47Å; L841-K845 HydrophobicContact CD1-CG 4.05Å; L841-K845 WeakPolarHBondContact O-CA 3.35Å; L841-W848 HydrophobicContact CB-CD2 3.97Å; L841-W848 HydrophobicContact CB-CG 3.8Å; L841-W848 HydrophobicContact CD1-CB 4.34Å; L841-W848 HydrophobicContact CD1-CD2 3.78Å; L841-W848 HydrophobicContact CD1-CE3 3.75Å; L841-W848 HydrophobicContact CD1-CG 4.04Å; L841-W848 HydrophobicContact CD1-CZ3 4.42Å; L841-W848 HydrophobicContact CG-CD2 4.31Å; L841-W848 HydrophobicContact CG-CG 4.49Å; L841-W848 VanDerWaalsContact N-CD1 3.32Å; L841-V930 HydrophobicContact CB-CG1 4.1Å; L841-V930 HydrophobicContact CD2-CG1 4.26Å; L841-K933 HydrophobicContact CD2-CB 4.19Å; L841-K933 HydrophobicContact CD2-CG 4.06Å; L841-K933 HydrophobicContact CG-CG 4.49Å; L841-I934 HydrophobicContact CD2-CD1 4.4Å; L841-I934 HydrophobicContact CD2-CG1 3.58Å; L841-Y938 HydrophobicContact CD1-CE2 4.15Å; L841-Y938 VanDerWaalsContact CD1-OH 3.27Å; L841-Y938 WeakPolarHBondContact CD1-OH 3.29Å; L841-Y938 HydrophobicContact CD2-CE2 4.2Å
842L87.8Confident90.2Very high107 Ų10738.9 Ų38.956%0.5621%0.211SC*.G310 helixtrans-75-26.9-176.4-60.5179.1000113.4N840 V930 K933N840-L842 PolarHBondContact O-N 3.35Å; N840-L842 VanDerWaalsContact O-N 3.12Å; L842-V930 HydrophobicContact CD1-CG2 4.44Å; L842-K933 HydrophobicContact CD2-CB 4.07Å; L842-K933 HydrophobicContact CD2-CG 3.83Å
843S90.4Very high90.9Very high47 Ų4736.7 Ų36.733%0.32919%0.189SC..THydrogen-bonded Turntrans-99.5-37.7-175.2-61.70000112.3N840N840-S843 PolarHBondContact O-N 3.33Å
844N94.3Very high91.7Very high6 Ų635 Ų353%0.03218%0.179CC..  trans-137.357.7-166.8-65-63.6000110F607 L824 D825 N840 K846 E847 W848F607-N844 HydrophobicContact CE2-CB 3.82Å; L824-N844 VanDerWaalsContact CA-OD1 3.31Å; L824-N844 WeakPolarHBondContact CA-OD1 3.49Å; L824-N844 WeakPolarHBondContact CB-OD1 3.41Å; D825-N844 PolarHBondContact N-OD1 3.22Å; D825-N844 PolarHBondContact O-ND2 2.57Å; N840-N844 PolarHBondContact O-N 2.78Å; N840-N844 PolarHBondContact OD1-ND2 3.39Å; N844-K846 PolarHBondContact O-N 3.12Å; N844-E847 PolarHBondContact O-N 2.71Å; N844-W848 PolarHBondContact O-N 2.8Å
845K94.2Very high93Very high66 Ų6640.8 Ų40.829%0.28720%0.197SC..Hα-helixtrans-55.7-47.9-169.4176.2164.9174.41630113.5L841 E847 W848 E849 D937 Y938L841-K845 HydrophobicContact CD1-CB 4.48Å; L841-K845 HydrophobicContact CD1-CD 4.47Å; L841-K845 HydrophobicContact CD1-CG 4.05Å; L841-K845 WeakPolarHBondContact O-CA 3.35Å; K845-E847 PolarHBondContact O-N 3.44Å; K845-W848 WeakPolarHBondContact O-CB 3.25Å; K845-W848 PolarHBondContact O-N 3.4Å; K845-E849 VanDerWaalsContact CE-CD 3.43Å; K845-E849 WeakPolarHBondContact CE-OE1 3.14Å; K845-E849 HydrophobicContact CG-CG 4.15Å; K845-E849 IonicContact NZ-OE1 2.81Å; K845-E849 WeakPolarHBondContact O-CG 3.4Å; K845-E849 PolarHBondContact O-N 3.14Å; K845-D937 IonicContact NZ-OD2 3.43Å; K845-D937 PolarHBondContact NZ-OD2 3.4Å; K845-Y938 WeakPolarHBondContact CE-OH 3.46Å
846K94Very high93.9Very high70 Ų7042.5 Ų42.530%0.30421%0.206SC..Hα-helixtrans-64-39.3-176.4-76.7178.9172.4168.60113.6E731 N844 E849 R850E731-K846 WeakPolarHBondContact OE1-CD 3.5Å; E731-K846 WeakPolarHBondContact OE1-CE 3.35Å; E731-K846 IonicContact OE1-NZ 3.24Å; E731-K846 PolarHBondContact OE1-NZ 3.16Å; E731-K846 WeakPolarHBondContact OE2-CD 3.42Å; E731-K846 WeakPolarHBondContact OE2-CG 3.39Å; N844-K846 PolarHBondContact O-N 3.12Å; K846-E849 PolarHBondContact O-N 3.12Å; K846-R850 WeakPolarHBondContact O-CB 3.38Å; K846-R850 PolarHBondContact O-N 3.45Å
847E94.9Very high94.6Very high9 Ų942.7 Ų42.74%0.04221%0.205CC..Hα-helixtrans-69.3-39.2175.9-75.256.4-132.400111F607 L610 R706 R822 L824 N844 K845 R850 K851F607-E847 HydrophobicContact CB-CB 4.47Å; F607-E847 HydrophobicContact CD2-CB 3.32Å; F607-E847 HydrophobicContact CD2-CG 4.12Å; F607-E847 HydrophobicContact CE2-CB 3.57Å; F607-E847 HydrophobicContact CG-CB 3.89Å; F607-E847 HydrophobicContact CZ-CB 4.32Å; L610-E847 HydrophobicContact CD1-CB 4.3Å; L610-E847 WeakPolarHBondContact CD1-O 3.47Å; R706-E847 HydrophobicContact CG-CG 4.22Å; R822-E847 IonicContact CZ-OE1 3.26Å; R822-E847 VanDerWaalsContact NE-CD 3.34Å; R822-E847 IonicContact NE-OE1 2.75Å; R822-E847 PolarHBondContact NE-OE1 2.79Å; R822-E847 IonicContact NE-OE2 3.49Å; R822-E847 PolarHBondContact NE-OE2 3.06Å; R822-E847 IonicContact NH2-OE1 3.77Å; R822-E847 PolarHBondContact NH2-OE1 2.78Å; L824-E847 HydrophobicContact CD1-CG 4.13Å; L824-E847 HydrophobicContact CD2-CG 3.73Å; L824-E847 WeakPolarHBondContact CD2-OE2 3.11Å; N844-E847 PolarHBondContact O-N 2.71Å; K845-E847 PolarHBondContact O-N 3.44Å; E847-R850 PolarHBondContact O-N 3.11Å; E847-K851 PolarHBondContact O-N 3.35Å
848W96.4Very high94.7Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-59.7-49.8171.5-168.3101000111.2F607 L838 L841 N844 K845 R850 K851 Y852 L853 F880 F884 I934 Y938F607-W848 HydrophobicContact CZ-CB 3.93Å; L838-W848 PolarHBondContact O-NE1 2.86Å; L841-W848 HydrophobicContact CB-CD2 3.97Å; L841-W848 HydrophobicContact CB-CG 3.8Å; L841-W848 HydrophobicContact CD1-CB 4.34Å; L841-W848 HydrophobicContact CD1-CD2 3.78Å; L841-W848 HydrophobicContact CD1-CE3 3.75Å; L841-W848 HydrophobicContact CD1-CG 4.04Å; L841-W848 HydrophobicContact CD1-CZ3 4.42Å; L841-W848 HydrophobicContact CG-CD2 4.31Å; L841-W848 HydrophobicContact CG-CG 4.49Å; L841-W848 VanDerWaalsContact N-CD1 3.32Å; N844-W848 PolarHBondContact O-N 2.8Å; K845-W848 WeakPolarHBondContact O-CB 3.25Å; K845-W848 PolarHBondContact O-N 3.4Å; W848-R850 VanDerWaalsContact C-N 3.34Å; W848-R850 PolarHBondContact O-N 2.03Å; W848-K851 PolarHBondContact O-N 3.2Å; W848-Y852 AromaticContact CD1-CD2 3.57Å; W848-Y852 AromaticContact CD1-CE2 3.96Å; W848-Y852 AromaticContact CD2-CD2 3.85Å; W848-Y852 HydrophobicContact CD2-CD2 3.85Å; W848-Y852 HydrophobicContact CD2-CG 4.46Å; W848-Y852 AromaticContact CE2-CD2 3.61Å; W848-Y852 AromaticContact CG-CD2 3.81Å; W848-Y852 HydrophobicContact CG-CD2 3.81Å; W848-Y852 HydrophobicContact CZ2-CD2 4.22Å; W848-Y852 HydrophobicContact CZ2-CG 4.43Å; W848-Y852 AromaticContact NE1-CD2 3.47Å; W848-Y852 AromaticContact NE1-CE2 3.94Å; W848-Y852 VanDerWaalsContact O-CB 3.28Å; W848-Y852 WeakPolarHBondContact O-CB 3.39Å; W848-Y852 PolarHBondContact O-N 3.22Å; W848-L853 HydrophobicContact CZ3-CD2 4.18Å; W848-L853 HydrophobicContact CZ3-CG 4.23Å; W848-F880 HydrophobicContact CH2-CD1 4.43Å; W848-F880 AromaticContact CH2-CE1 3.98Å; W848-F880 HydrophobicContact CH2-CE1 3.98Å; W848-F884 HydrophobicContact CH2-CD2 4.29Å; W848-F884 HydrophobicContact CH2-CE2 4.27Å; W848-F884 AromaticContact CZ2-CD2 3.97Å; W848-F884 HydrophobicContact CZ2-CD2 3.97Å; W848-F884 AromaticContact CZ2-CE2 3.84Å; W848-F884 HydrophobicContact CZ2-CE2 3.84Å; W848-I934 HydrophobicContact CH2-CD1 3.75Å; W848-I934 HydrophobicContact CH2-CG1 3.9Å; W848-I934 HydrophobicContact CZ2-CD1 3.57Å; W848-I934 HydrophobicContact CZ2-CG1 4.08Å; W848-Y938 HydrophobicContact CE3-CE2 4.18Å; W848-Y938 HydrophobicContact CH2-CE2 4.15Å; W848-Y938 HydrophobicContact CZ3-CD2 4.27Å; W848-Y938 AromaticContact CZ3-CE2 3.54Å; W848-Y938 HydrophobicContact CZ3-CE2 3.54Å
849E96.5Very high94.8Very high59 Ų5948.7 Ų48.728%0.27624%0.244SC..Hα-helixtrans-56.7-46.4176.6-74.3177.4146.600111.3K845 K846 K851 Y852 L853 Y938K845-E849 VanDerWaalsContact CE-CD 3.43Å; K845-E849 WeakPolarHBondContact CE-OE1 3.14Å; K845-E849 HydrophobicContact CG-CG 4.15Å; K845-E849 IonicContact NZ-OE1 2.81Å; K845-E849 WeakPolarHBondContact O-CG 3.4Å; K845-E849 PolarHBondContact O-N 3.14Å; K846-E849 PolarHBondContact O-N 3.12Å; E849-K851 PolarHBondContact O-N 2.96Å; E849-Y852 PolarHBondContact O-N 3.05Å; E849-L853 HydrophobicContact CB-CD1 3.92Å; E849-L853 HydrophobicContact CB-CG 4.41Å; E849-L853 HydrophobicContact CG-CD1 3.73Å; E849-L853 HydrophobicContact CG-CG 4.4Å; E849-L853 WeakPolarHBondContact O-CB 3.22Å; E849-L853 PolarHBondContact O-N 3.03Å; E849-Y938 HydrophobicContact CG-CE1 4.32Å; E849-Y938 VanDerWaalsContact CG-OH 3.24Å; E849-Y938 WeakPolarHBondContact CG-OH 3.3Å; E849-Y938 PolarHBondContact OE1-OH 3.07Å
850R95Very high95Very high140 Ų14047 Ų4753%0.52823%0.23SC..Hα-helixtrans-62.3-37.8178.4176.9172.7168.6163.6-3.7113.3L610 E613 K846 E847 W848L610-R850 HydrophobicContact CD1-CB 4.22Å; L610-R850 HydrophobicContact CD1-CG 4.08Å; L610-R850 HydrophobicContact CD2-CG 4.33Å; E613-R850 IonicContact OE2-CZ 2.63Å; E613-R850 IonicContact OE2-NE 2.86Å; E613-R850 IonicContact OE2-NH2 3.17Å; E613-R850 PolarHBondContact OE2-NH2 3.04Å; K846-R850 WeakPolarHBondContact O-CB 3.38Å; K846-R850 PolarHBondContact O-N 3.45Å; E847-R850 PolarHBondContact O-N 3.11Å; W848-R850 VanDerWaalsContact C-N 3.34Å; W848-R850 PolarHBondContact O-N 2.03Å
851K95.9Very high95Very high25 Ų2549.5 Ų49.511%0.10924%0.243CC..Hα-helixtrans-79.8-38.9179-171.6168.8172.6159.60112.4F607 D609 L610 D837 E847 W848 E849 S881 A883 D887F607-K851 HydrophobicContact CD1-CB 4.35Å; F607-K851 HydrophobicContact CD1-CD 3.63Å; F607-K851 HydrophobicContact CE1-CB 4.4Å; F607-K851 HydrophobicContact CE1-CD 3.99Å; D609-K851 IonicContact OD1-NZ 3.33Å; D609-K851 PolarHBondContact OD1-NZ 3.21Å; D609-K851 WeakPolarHBondContact OD2-CE 3.46Å; D609-K851 IonicContact OD2-NZ 3.67Å; D609-K851 PolarHBondContact OD2-NZ 2.75Å; L610-K851 HydrophobicContact CD1-CB 4.16Å; D837-K851 IonicContact OD2-NZ 3.52Å; D837-K851 PolarHBondContact OD2-NZ 2.76Å; E847-K851 PolarHBondContact O-N 3.35Å; W848-K851 PolarHBondContact O-N 3.2Å; E849-K851 PolarHBondContact O-N 2.96Å; K851-S881 WeakPolarHBondContact O-CB 3.34Å; K851-S881 PolarHBondContact O-OG 2.99Å; K851-A883 HydrophobicContact CG-CB 4.47Å; K851-D887 IonicContact NZ-OD2 3.92Å
852Y97.7Very high95.1Very high1 Ų154 Ų540%0.00426%0.264CS..Hα-helixtrans-117.6-20.5-158.5-66.5-46.3000116.5F607 D837 L838 W848 E849 F880 S881 A883 F884 D887F607-Y852 HydrophobicContact CE1-CD2 4.46Å; F607-Y852 AromaticContact CE1-CE2 3.96Å; F607-Y852 HydrophobicContact CE1-CE2 3.96Å; D837-Y852 HydrophobicContact CB-CE2 4.09Å; D837-Y852 WeakPolarHBondContact CB-OH 3.32Å; L838-Y852 HydrophobicContact CD2-CD1 4.27Å; L838-Y852 HydrophobicContact CD2-CD2 4.23Å; L838-Y852 HydrophobicContact CD2-CE1 3.9Å; L838-Y852 HydrophobicContact CD2-CE2 3.87Å; L838-Y852 HydrophobicContact CD2-CG 4.4Å; L838-Y852 HydrophobicContact CG-CE2 4.3Å; W848-Y852 AromaticContact CD1-CD2 3.57Å; W848-Y852 AromaticContact CD1-CE2 3.96Å; W848-Y852 AromaticContact CD2-CD2 3.85Å; W848-Y852 HydrophobicContact CD2-CD2 3.85Å; W848-Y852 HydrophobicContact CD2-CG 4.46Å; W848-Y852 AromaticContact CE2-CD2 3.61Å; W848-Y852 AromaticContact CG-CD2 3.81Å; W848-Y852 HydrophobicContact CG-CD2 3.81Å; W848-Y852 HydrophobicContact CZ2-CD2 4.22Å; W848-Y852 HydrophobicContact CZ2-CG 4.43Å; W848-Y852 AromaticContact NE1-CD2 3.47Å; W848-Y852 AromaticContact NE1-CE2 3.94Å; W848-Y852 VanDerWaalsContact O-CB 3.28Å; W848-Y852 WeakPolarHBondContact O-CB 3.39Å; W848-Y852 PolarHBondContact O-N 3.22Å; E849-Y852 PolarHBondContact O-N 3.05Å; Y852-F880 CarbonylContact O-C 3.6Å; Y852-F880 WeakPolarHBondContact O-CA 3.41Å; Y852-S881 PolarHBondContact O-N 3.03Å; Y852-A883 HydrophobicContact CD1-CB 4.5Å; Y852-A883 HydrophobicContact CE1-CB 4.48Å; Y852-F884 HydrophobicContact CD1-CB 3.54Å; Y852-F884 HydrophobicContact CD1-CD2 4.08Å; Y852-F884 HydrophobicContact CD1-CG 4.32Å; Y852-F884 HydrophobicContact CE1-CB 4.37Å; Y852-F884 HydrophobicContact CG-CB 4.07Å; Y852-F884 AromaticContact CG-CD2 3.99Å; Y852-F884 HydrophobicContact CG-CD2 3.99Å; Y852-D887 HydrophobicContact CE1-CB 4.27Å; Y852-D887 WeakPolarHBondContact CE1-OD2 3.35Å; Y852-D887 PolarHBondContact OH-OD2 3.28Å
853L97.7Very high95.3Very high24 Ų2457 Ų5713%0.12628%0.281CS..BIsolated β-bridgetrans-76.5150.3170.3-71178.3000111.4W848 E849 Y857 F880 Y938W848-L853 HydrophobicContact CZ3-CD2 4.18Å; W848-L853 HydrophobicContact CZ3-CG 4.23Å; E849-L853 HydrophobicContact CB-CD1 3.92Å; E849-L853 HydrophobicContact CB-CG 4.41Å; E849-L853 HydrophobicContact CG-CD1 3.73Å; E849-L853 HydrophobicContact CG-CG 4.4Å; E849-L853 WeakPolarHBondContact O-CB 3.22Å; E849-L853 PolarHBondContact O-N 3.03Å; L853-Y857 HydrophobicContact CD1-CD1 3.94Å; L853-Y857 HydrophobicContact CD1-CE1 4.38Å; L853-Y857 HydrophobicContact CD2-CD1 4.22Å; L853-Y857 HydrophobicContact CD2-CG 4.41Å; L853-F880 HydrophobicContact CD2-CD1 4.48Å; L853-F880 HydrophobicContact CD2-CE1 4.47Å; L853-Y938 HydrophobicContact CD1-CD1 4.15Å; L853-Y938 HydrophobicContact CD1-CE1 3.8Å; L853-Y938 HydrophobicContact CD2-CD1 3.95Å; L853-Y938 HydrophobicContact CD2-CD2 4.14Å; L853-Y938 HydrophobicContact CD2-CE1 4.17Å; L853-Y938 HydrophobicContact CD2-CE2 4.34Å; L853-Y938 HydrophobicContact CD2-CG 3.95Å; L853-Y938 HydrophobicContact CG-CE1 4.45Å
854H97.9Very high95.4Very high32 Ų3261.2 Ų61.215%0.14830%0.3CS..  trans-65.9136.5168.9-168.2-97.2000109.8D856 Y857 P878 I879H854-D856 IonicContact CE1-OD2 2.93Å; H854-D856 PolarHBondContact CE1-OD2 2.78Å; H854-D856 VanDerWaalsContact CE1-OD2 3.26Å; H854-D856 PolarHBondContact ND1-N 2.82Å; H854-D856 IonicContact ND1-OD2 3.62Å; H854-D856 PolarHBondContact O-N 3.3Å; H854-Y857 VanDerWaalsContact O-CB 3.22Å; H854-Y857 WeakPolarHBondContact O-CB 3.41Å; H854-Y857 PolarHBondContact O-N 3.13Å; H854-P878 HydrophobicContact CB-CB 4.06Å; H854-P878 WeakPolarHBondContact ND1-CB 3.42Å; H854-I879 PolarHBondContact N-O 2.74Å
855K96Very high95.4Very high179 Ų17963.8 Ų63.878%0.77831%0.309SS*.THydrogen-bonded Turntrans-53-29.7-178.868.8-174.6-179.1178.80114.2
856D95.3Very high95.4Very high42 Ų4266.8 Ų66.823%0.22533%0.333CS..THydrogen-bonded Turntrans-97.7-0.1-179.9-60.9-67.1000113.6H854 G858 K859 P878H854-D856 IonicContact CE1-OD2 2.93Å; H854-D856 PolarHBondContact CE1-OD2 2.78Å; H854-D856 VanDerWaalsContact CE1-OD2 3.26Å; H854-D856 PolarHBondContact ND1-N 2.82Å; H854-D856 IonicContact ND1-OD2 3.62Å; H854-D856 PolarHBondContact O-N 3.3Å; D856-G858 PolarHBondContact O-N 3.07Å; D856-K859 HydrophobicContact CB-CD 4.29Å; D856-K859 WeakPolarHBondContact O-CB 3.45Å; D856-K859 PolarHBondContact O-N 3.11Å; D856-K859 WeakPolarHBondContact OD1-CE 3.37Å; D856-K859 IonicContact OD1-NZ 2.69Å; D856-K859 PolarHBondContact OD1-NZ 3.27Å; D856-P878 HydrophobicContact CB-CG 4.48Å
857Y97.5Very high95.4Very high13 Ų1364.2 Ų64.25%0.05132%0.322CS..Hα-helixtrans-56.7-38.3179.8169.7-98.1000112.1L853 H854 K859 V860 L861 I879 Y938 V942L853-Y857 HydrophobicContact CD1-CD1 3.94Å; L853-Y857 HydrophobicContact CD1-CE1 4.38Å; L853-Y857 HydrophobicContact CD2-CD1 4.22Å; L853-Y857 HydrophobicContact CD2-CG 4.41Å; H854-Y857 VanDerWaalsContact O-CB 3.22Å; H854-Y857 WeakPolarHBondContact O-CB 3.41Å; H854-Y857 PolarHBondContact O-N 3.13Å; Y857-K859 PolarHBondContact O-N 2.02Å; Y857-V860 VanDerWaalsContact O-CB 3.27Å; Y857-V860 WeakPolarHBondContact O-CB 3.32Å; Y857-V860 PolarHBondContact O-N 2.86Å; Y857-L861 HydrophobicContact CE1-CD1 3.94Å; Y857-L861 HydrophobicContact CE1-CG 4.44Å; Y857-I879 HydrophobicContact CD2-CG1 4.29Å; Y857-I879 HydrophobicContact CE2-CG1 4.45Å; Y857-Y938 HydrophobicContact CE1-CD1 4.01Å; Y857-Y938 VanDerWaalsContact OH-CA 3.3Å; Y857-Y938 WeakPolarHBondContact OH-CA 3.39Å; Y857-Y938 PolarHBondContact OH-O 3.24Å; Y857-V942 HydrophobicContact CE2-CG2 4.01Å
858G95.1Very high95.3Very high49 Ų4966 Ų6651%0.50534%0.338SS..Hα-helixtrans-56.3-34.6176.600000113.5D856 V860 L861D856-G858 PolarHBondContact O-N 3.07Å; G858-V860 VanDerWaalsContact C-N 3.33Å; G858-V860 PolarHBondContact O-N 3.26Å; G858-L861 PolarHBondContact O-N 2.85Å
859K95.8Very high95.3Very high97 Ų9770.4 Ų70.442%0.42236%0.362SS..Hα-helixtrans-68.9-31.8178.1-59.2173.9-179.2164.60112.5D856 Y857 L861 E862 Y865D856-K859 HydrophobicContact CB-CD 4.29Å; D856-K859 WeakPolarHBondContact O-CB 3.45Å; D856-K859 PolarHBondContact O-N 3.11Å; D856-K859 WeakPolarHBondContact OD1-CE 3.37Å; D856-K859 IonicContact OD1-NZ 2.69Å; D856-K859 PolarHBondContact OD1-NZ 3.27Å; Y857-K859 PolarHBondContact O-N 2.02Å; K859-L861 PolarHBondContact O-N 3.3Å; K859-L861 VanDerWaalsContact O-N 3.08Å; K859-E862 WeakPolarHBondContact CA-OE2 3.39Å; K859-E862 WeakPolarHBondContact O-CB 3.42Å; K859-E862 PolarHBondContact O-N 3.25Å; K859-Y865 HydrophobicContact CB-CD2 3.97Å; K859-Y865 HydrophobicContact CB-CE2 4.19Å; K859-Y865 WeakPolarHBondContact O-CB 3.47Å; K859-Y865 WeakPolarHBondContact O-CD2 3.17Å; K859-Y865 VanDerWaalsContact O-CG 3.25Å
860V96.1Very high95.2Very high0 Ų070.2 Ų70.20%037%0.366CS..Hα-helixtrans-57.3-29178.5-174.40000111.5Y857 G858 Y865 L867 F877 P878 V942 K945Y857-V860 VanDerWaalsContact O-CB 3.27Å; Y857-V860 WeakPolarHBondContact O-CB 3.32Å; Y857-V860 PolarHBondContact O-N 2.86Å; G858-V860 VanDerWaalsContact C-N 3.33Å; G858-V860 PolarHBondContact O-N 3.26Å; V860-Y865 HydrophobicContact CB-CD1 4.48Å; V860-Y865 HydrophobicContact CB-CE1 4.35Å; V860-Y865 HydrophobicContact CG1-CD1 4.42Å; V860-Y865 HydrophobicContact CG1-CE1 4.25Å; V860-Y865 HydrophobicContact CG2-CE1 4.16Å; V860-L867 HydrophobicContact CG1-CD2 3.62Å; V860-F877 HydrophobicContact CG1-CB 3.86Å; V860-F877 HydrophobicContact CG1-CD2 4.32Å; V860-F877 HydrophobicContact CG1-CG 4.29Å; V860-F877 HydrophobicContact CG2-CB 4.31Å; V860-P878 HydrophobicContact CG2-CG 3.91Å; V860-V942 HydrophobicContact CG1-CG1 3.96Å; V860-V942 HydrophobicContact CG1-CG2 3.87Å; V860-K945 PolarHBondContact O-NZ 3.14Å
861L93.8Very high95.2Very high70 Ų7063.8 Ų63.837%0.36634%0.342SS..THydrogen-bonded Turntrans-87.9-7.8-179.8-54.3-176.5000114.5Y857 G858 K859 P941 V942Y857-L861 HydrophobicContact CE1-CD1 3.94Å; Y857-L861 HydrophobicContact CE1-CG 4.44Å; G858-L861 PolarHBondContact O-N 2.85Å; K859-L861 PolarHBondContact O-N 3.3Å; K859-L861 VanDerWaalsContact O-N 3.08Å; L861-P941 HydrophobicContact CD2-CB 3.73Å; L861-V942 HydrophobicContact CD2-CG2 3.86Å
862E95.7Very high95.1Very high98 Ų9866 Ų6646%0.45836%0.359SS..SBendtrans-69.7138.1176.5-64168.7162.300109.9K859 D864 Y865 K945K859-E862 WeakPolarHBondContact CA-OE2 3.39Å; K859-E862 WeakPolarHBondContact O-CB 3.42Å; K859-E862 PolarHBondContact O-N 3.25Å; E862-D864 PolarHBondContact O-N 2.71Å; E862-D864 VanDerWaalsContact O-N 3.14Å; E862-Y865 WeakPolarHBondContact O-CB 3.43Å; E862-Y865 PolarHBondContact O-N 3.45Å; E862-K945 PolarHBondContact O-NZ 3.27Å
863D90.3Very high95Very high170 Ų17069.7 Ų69.791%0.90938%0.379SS*.THydrogen-bonded Turntrans-59.4-30.6-170.2-75.2-34000113.7
864D92.9Very high95Very high135 Ų13568.5 Ų68.572%0.72237%0.373SS*.THydrogen-bonded Turntrans-88.5-9.9-18064.8-35000114.3E862 V866E862-D864 PolarHBondContact O-N 2.71Å; E862-D864 VanDerWaalsContact O-N 3.14Å; D864-V866 PolarHBondContact O-N 2.95Å
865Y94.3Very high94.9Very high61 Ų6168.7 Ų68.724%0.23937%0.372CS..  trans-68.3116.5178.2-175.3-78.4000111.4K859 V860 E862 L867 K945K859-Y865 HydrophobicContact CB-CD2 3.97Å; K859-Y865 HydrophobicContact CB-CE2 4.19Å; K859-Y865 WeakPolarHBondContact O-CB 3.47Å; K859-Y865 WeakPolarHBondContact O-CD2 3.17Å; K859-Y865 VanDerWaalsContact O-CG 3.25Å; V860-Y865 HydrophobicContact CB-CD1 4.48Å; V860-Y865 HydrophobicContact CB-CE1 4.35Å; V860-Y865 HydrophobicContact CG1-CD1 4.42Å; V860-Y865 HydrophobicContact CG1-CE1 4.25Å; V860-Y865 HydrophobicContact CG2-CE1 4.16Å; E862-Y865 WeakPolarHBondContact O-CB 3.43Å; E862-Y865 PolarHBondContact O-N 3.45Å; Y865-L867 HydrophobicContact CD1-CD2 4.42Å; Y865-L867 HydrophobicContact CE1-CD2 4.21Å; Y865-K945 WeakPolarHBondContact O-CE 3.38Å; Y865-K945 PolarHBondContact O-NZ 3.29Å
866V94Very high94.9Very high129 Ų12960.6 Ų60.678%0.78234%0.338SS*.  trans-85.7115.7177.4-176.80000110D864D864-V866 PolarHBondContact O-N 2.95Å
867L94.5Very high95Very high15 Ų1558.6 Ų58.68%0.07933%0.328CS..  trans-62.8136.4173.5-66.7169.6000110.7V860 Y865 Y875 F877 V942 A946V860-L867 HydrophobicContact CG1-CD2 3.62Å; Y865-L867 HydrophobicContact CD1-CD2 4.42Å; Y865-L867 HydrophobicContact CE1-CD2 4.21Å; L867-Y875 HydrophobicContact CB-CD1 3.78Å; L867-Y875 HydrophobicContact CD1-CD1 3.71Å; L867-Y875 HydrophobicContact CD1-CE1 4.29Å; L867-Y875 HydrophobicContact CD1-CG 4.39Å; L867-Y875 HydrophobicContact CG-CD1 4.4Å; L867-F877 HydrophobicContact CD2-CB 3.92Å; L867-F877 HydrophobicContact CD2-CD1 4.5Å; L867-F877 HydrophobicContact CD2-CG 4.44Å; L867-V942 HydrophobicContact CD1-CG1 4.2Å; L867-V942 HydrophobicContact CD2-CG1 3.86Å; L867-A946 HydrophobicContact CD1-CB 3.73Å
868A94Very high95Very high46 Ų4658.1 Ų58.138%0.3833%0.326SS..EExtended strand (participates in β ladder)trans-69.5139.6175.900000110.3P870 Y875 S876A868-P870 WeakPolarHBondContact O-CD 3.39Å; A868-Y875 CarbonylContact O-C 3.57Å; A868-Y875 WeakPolarHBondContact O-CA 3.32Å; A868-S876 PolarHBondContact N-O 3.06Å; A868-S876 PolarHBondContact O-N 3.19Å
869L94.9Very high95.1Very high93 Ų9355.8 Ų55.849%0.48730%0.302SS..EExtended strand (participates in β ladder)trans-120.976.8-179.7-83154.8000109.7C871 V874 Y875L869-C871 PolarHBondContact O-N 2.92Å; L869-V874 WeakPolarHBondContact CA-O 3.35Å; L869-Y875 HydrophobicContact CD1-CE1 4.24Å; L869-Y875 HydrophobicContact CD2-CD1 3.86Å; L869-Y875 HydrophobicContact CD2-CD2 4.38Å; L869-Y875 HydrophobicContact CD2-CE1 3.82Å; L869-Y875 HydrophobicContact CD2-CE2 4.3Å; L869-Y875 HydrophobicContact CD2-CG 4.16Å; L869-Y875 HydrophobicContact CG-CD1 4.13Å; L869-Y875 HydrophobicContact CG-CE1 4.17Å
870P94.5Very high95.3Very high56 Ų5651.2 Ų51.236%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-56.9-29.3176.521.9-35.4000113.3A868 V874 C1007 A1009 L1018A868-P870 WeakPolarHBondContact O-CD 3.39Å; P870-V874 VanDerWaalsContact CD-O 3.24Å; P870-V874 WeakPolarHBondContact CD-O 3.4Å; P870-V874 HydrophobicContact CG-CG1 4.28Å; P870-C1007 PolarHBondContact O-SG 2.89Å; P870-A1009 HydrophobicContact CB-CB 4.49Å; P870-L1018 HydrophobicContact CG-CD2 3.91Å
871C95.3Very high95.3Very high5 Ų551.8 Ų51.83%0.03429%0.286CS..EExtended strand (participates in β ladder)trans-139.3161.7171.3-64.30000110.1L869 D873 V874 Y1002 C1007L869-C871 PolarHBondContact O-N 2.92Å; C871-D873 PolarHBondContact O-N 3.2Å; C871-V874 HydrophobicContact CB-CB 3.87Å; C871-V874 HydrophobicContact CB-CG2 3.74Å; C871-V874 PolarHBondContact O-N 3.47Å; C871-V874 VanDerWaalsContact O-N 3.07Å; C871-Y1002 HydrophobicContact CB-CD2 4.11Å; C871-C1007 WeakPolarHBondContact CA-SG 3.5Å; C871-C1007 HydrophobicContact CB-CB 3.79Å; C871-C1007 WeakPolarHBondContact CB-SG 3.29Å; C871-C1007 VanDerWaalsContact SG-C 3.59Å; C871-C1007 WeakPolarHBondContact SG-CB 3.46Å; C871-C1007 CovalentContact SG-SG 2.03Å; C871-C1007 PolarHBondContact SG-SG 3.39Å
872P94.7Very high95.5Very high70 Ų7051.8 Ų51.846%0.45529%0.29SS..THydrogen-bonded Turntrans-54.5130175.5-24.534.6000111.4V874 Y1005 H1026P872-V874 PolarHBondContact O-N 2.85Å; P872-V874 VanDerWaalsContact O-N 3.07Å; P872-Y1005 HydrophobicContact CG-CD1 4.36Å; P872-Y1005 HydrophobicContact CG-CG 4.33Å; P872-H1026 PolarHBondContact O-NE2 2.84Å; P872-H1026 VanDerWaalsContact O-NE2 3.11Å
873D94.8Very high95.4Very high79 Ų7948.9 Ų48.942%0.42228%0.283SS..THydrogen-bonded Turntrans5417.1-175.9-55.8-33.6000116.1C871 P1021C871-D873 PolarHBondContact O-N 3.2Å; D873-P1021 WeakPolarHBondContact O-CD 3.31Å
874V96.8Very high95.7Very high0 Ų041 Ų410%024%0.24CC..EExtended strand (participates in β ladder)trans-109.5100.7172.7-178.80000108.2L869 P870 C871 P872 Y1002 L1018 H1020L869-V874 WeakPolarHBondContact CA-O 3.35Å; P870-V874 VanDerWaalsContact CD-O 3.24Å; P870-V874 WeakPolarHBondContact CD-O 3.4Å; P870-V874 HydrophobicContact CG-CG1 4.28Å; C871-V874 HydrophobicContact CB-CB 3.87Å; C871-V874 HydrophobicContact CB-CG2 3.74Å; C871-V874 PolarHBondContact O-N 3.47Å; C871-V874 VanDerWaalsContact O-N 3.07Å; P872-V874 PolarHBondContact O-N 2.85Å; P872-V874 VanDerWaalsContact O-N 3.07Å; V874-Y1002 HydrophobicContact CB-CE2 4.36Å; V874-Y1002 HydrophobicContact CG1-CE2 3.83Å; V874-Y1002 WeakPolarHBondContact CG1-OH 3.46Å; V874-Y1002 HydrophobicContact CG2-CD1 4Å; V874-Y1002 HydrophobicContact CG2-CD2 4.04Å; V874-Y1002 HydrophobicContact CG2-CE1 3.7Å; V874-Y1002 HydrophobicContact CG2-CE2 3.76Å; V874-Y1002 HydrophobicContact CG2-CG 4.15Å; V874-L1018 HydrophobicContact CG1-CB 4.5Å; V874-L1018 HydrophobicContact CG1-CD2 4.08Å; V874-H1020 HydrophobicContact CB-CB 4.41Å; V874-H1020 HydrophobicContact CG1-CB 4.38Å; V874-H1020 HydrophobicContact CG2-CB 3.93Å
875Y96.8Very high96Very high36 Ų3634.6 Ų34.614%0.14121%0.206CC..EExtended strand (participates in β ladder)trans-85.2143.1-178.9-62.9-91.9000110.8L867 A868 L869 A946 F947 L1018 M1019L867-Y875 HydrophobicContact CB-CD1 3.78Å; L867-Y875 HydrophobicContact CD1-CD1 3.71Å; L867-Y875 HydrophobicContact CD1-CE1 4.29Å; L867-Y875 HydrophobicContact CD1-CG 4.39Å; L867-Y875 HydrophobicContact CG-CD1 4.4Å; A868-Y875 CarbonylContact O-C 3.57Å; A868-Y875 WeakPolarHBondContact O-CA 3.32Å; L869-Y875 HydrophobicContact CD1-CE1 4.24Å; L869-Y875 HydrophobicContact CD2-CD1 3.86Å; L869-Y875 HydrophobicContact CD2-CD2 4.38Å; L869-Y875 HydrophobicContact CD2-CE1 3.82Å; L869-Y875 HydrophobicContact CD2-CE2 4.3Å; L869-Y875 HydrophobicContact CD2-CG 4.16Å; L869-Y875 HydrophobicContact CG-CD1 4.13Å; L869-Y875 HydrophobicContact CG-CE1 4.17Å; Y875-A946 HydrophobicContact CD1-CB 3.94Å; Y875-A946 HydrophobicContact CD2-CB 3.91Å; Y875-A946 HydrophobicContact CE1-CB 3.98Å; Y875-A946 HydrophobicContact CE2-CB 3.98Å; Y875-A946 HydrophobicContact CG-CB 3.89Å; Y875-A946 PolarHBondContact OH-O 3.02Å; Y875-F947 HydrophobicContact CD2-CE1 4.1Å; Y875-F947 HydrophobicContact CD2-CE2 4.39Å; Y875-F947 AromaticContact CD2-CZ 3.81Å; Y875-F947 HydrophobicContact CD2-CZ 3.81Å; Y875-F947 HydrophobicContact CE2-CD1 4.18Å; Y875-F947 AromaticContact CE2-CE1 3.58Å; Y875-F947 HydrophobicContact CE2-CE1 3.58Å; Y875-F947 AromaticContact CE2-CZ 3.79Å; Y875-F947 HydrophobicContact CE2-CZ 3.79Å; Y875-L1018 CarbonylContact O-C 3.59Å; Y875-L1018 WeakPolarHBondContact O-CA 3.5Å; Y875-M1019 PolarHBondContact N-O 3.45Å; Y875-M1019 PolarHBondContact O-N 2.94Å
876S96.5Very high96Very high9 Ų936.8 Ų36.86%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-126.9131.7177.1-175.10000110.9A868 A1017A868-S876 PolarHBondContact N-O 3.06Å; A868-S876 PolarHBondContact O-N 3.19Å; S876-A1017 VanDerWaalsContact CA-O 3.3Å; S876-A1017 WeakPolarHBondContact CA-O 3.33Å
877F97Very high96Very high0 Ų031.8 Ų31.80%019%0.186CC..EExtended strand (participates in β ladder)trans-154.2149.7-179.659.6-82.6000112.7V860 L867 I879 V942 W1016 A1017 M1019V860-F877 HydrophobicContact CG1-CB 3.86Å; V860-F877 HydrophobicContact CG1-CD2 4.32Å; V860-F877 HydrophobicContact CG1-CG 4.29Å; V860-F877 HydrophobicContact CG2-CB 4.31Å; L867-F877 HydrophobicContact CD2-CB 3.92Å; L867-F877 HydrophobicContact CD2-CD1 4.5Å; L867-F877 HydrophobicContact CD2-CG 4.44Å; F877-I879 HydrophobicContact CD2-CB 4.32Å; F877-I879 HydrophobicContact CE2-CB 4.11Å; F877-I879 HydrophobicContact CE2-CD1 4.28Å; F877-V942 HydrophobicContact CD1-CG1 3.73Å; F877-V942 HydrophobicContact CD2-CB 4.46Å; F877-V942 HydrophobicContact CD2-CG1 4Å; F877-V942 HydrophobicContact CD2-CG2 4.14Å; F877-V942 HydrophobicContact CE1-CB 4.39Å; F877-V942 HydrophobicContact CE1-CG1 3.71Å; F877-V942 HydrophobicContact CE2-CB 4.07Å; F877-V942 HydrophobicContact CE2-CG1 3.96Å; F877-V942 HydrophobicContact CE2-CG2 3.91Å; F877-V942 HydrophobicContact CG-CG1 3.88Å; F877-V942 HydrophobicContact CZ-CB 4.03Å; F877-V942 HydrophobicContact CZ-CG1 3.82Å; F877-V942 HydrophobicContact CZ-CG2 4.38Å; F877-W1016 WeakPolarHBondContact O-CA 3.36Å; F877-A1017 HydrophobicContact CD1-CB 4.48Å; F877-A1017 HydrophobicContact CD2-CB 4.47Å; F877-A1017 HydrophobicContact CE1-CB 4.05Å; F877-A1017 HydrophobicContact CE2-CB 4.05Å; F877-A1017 HydrophobicContact CZ-CB 3.82Å; F877-A1017 PolarHBondContact N-O 3.09Å; F877-A1017 VanDerWaalsContact N-O 3.09Å; F877-A1017 PolarHBondContact O-N 3.14Å; F877-M1019 HydrophobicContact CE1-CB 3.94Å; F877-M1019 HydrophobicContact CE1-CE 4.1Å; F877-M1019 HydrophobicContact CE1-SD 4.41Å
878P97.3Very high96.2Very high3 Ų331.1 Ų31.12%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-74.2135.3172.929.8-32.8000110.7H854 D856 V860 W1016H854-P878 HydrophobicContact CB-CB 4.06Å; H854-P878 WeakPolarHBondContact ND1-CB 3.42Å; D856-P878 HydrophobicContact CB-CG 4.48Å; V860-P878 HydrophobicContact CG2-CG 3.91Å; P878-W1016 HydrophobicContact CB-CD2 4Å; P878-W1016 HydrophobicContact CB-CG 4.27Å; P878-W1016 HydrophobicContact CB-CZ2 4.23Å; P878-W1016 HydrophobicContact CG-CH2 4.43Å; P878-W1016 HydrophobicContact CG-CZ2 4.24Å
879I97.9Very high96.3Very high0 Ų030.1 Ų30.10%017%0.17CC..  trans-129.1-43.3178.6-174.3171.3000113.4H854 Y857 F877 V939 I986 G1015 A1017H854-I879 PolarHBondContact N-O 2.74Å; Y857-I879 HydrophobicContact CD2-CG1 4.29Å; Y857-I879 HydrophobicContact CE2-CG1 4.45Å; F877-I879 HydrophobicContact CD2-CB 4.32Å; F877-I879 HydrophobicContact CE2-CB 4.11Å; F877-I879 HydrophobicContact CE2-CD1 4.28Å; I879-V939 HydrophobicContact CD1-CG2 3.87Å; I879-I986 HydrophobicContact CG2-CD1 4.14Å; I879-I986 HydrophobicContact CG2-CG2 4.18Å; I879-G1015 VanDerWaalsContact CG2-O 3.32Å; I879-G1015 WeakPolarHBondContact CG2-O 3.42Å; I879-G1015 PolarHBondContact N-O 2.77Å; I879-A1017 HydrophobicContact CG2-CB 3.89Å
880F98.3Very high96.3Very high0 Ų029 Ų290%017%0.165CC..BIsolated β-bridgetrans-118.6155.3-173.5-63-48.4000114.9W848 Y852 L853 F884 W931 I934 I986 G1015W848-F880 HydrophobicContact CH2-CD1 4.43Å; W848-F880 AromaticContact CH2-CE1 3.98Å; W848-F880 HydrophobicContact CH2-CE1 3.98Å; Y852-F880 CarbonylContact O-C 3.6Å; Y852-F880 WeakPolarHBondContact O-CA 3.41Å; L853-F880 HydrophobicContact CD2-CD1 4.48Å; L853-F880 HydrophobicContact CD2-CE1 4.47Å; F880-F884 HydrophobicContact CB-CB 3.93Å; F880-F884 HydrophobicContact CB-CD1 3.53Å; F880-F884 HydrophobicContact CB-CE1 4.36Å; F880-F884 HydrophobicContact CB-CG 3.87Å; F880-F884 AromaticContact CD1-CD1 3.97Å; F880-F884 HydrophobicContact CD1-CD1 3.97Å; F880-F884 HydrophobicContact CD1-CD2 4.27Å; F880-F884 HydrophobicContact CD1-CE1 4.28Å; F880-F884 AromaticContact CD1-CG 3.99Å; F880-F884 HydrophobicContact CD1-CG 3.99Å; F880-F884 AromaticContact CD2-CD1 3.45Å; F880-F884 HydrophobicContact CD2-CD1 3.45Å; F880-F884 VanDerWaalsContact CD2-CD1 3.45Å; F880-F884 AromaticContact CD2-CE1 3.39Å; F880-F884 HydrophobicContact CD2-CE1 3.39Å; F880-F884 HydrophobicContact CD2-CG 4.3Å; F880-F884 HydrophobicContact CD2-CZ 4.2Å; F880-F884 HydrophobicContact CE2-CD1 4.18Å; F880-F884 AromaticContact CE2-CE1 3.68Å; F880-F884 HydrophobicContact CE2-CE1 3.68Å; F880-F884 HydrophobicContact CE2-CZ 4.1Å; F880-F884 HydrophobicContact CG-CB 4.36Å; F880-F884 AromaticContact CG-CD1 3.36Å; F880-F884 HydrophobicContact CG-CD1 3.36Å; F880-F884 HydrophobicContact CG-CD2 4.47Å; F880-F884 AromaticContact CG-CE1 3.76Å; F880-F884 HydrophobicContact CG-CE1 3.76Å; F880-F884 AromaticContact CG-CG 3.79Å; F880-F884 HydrophobicContact CG-CG 3.79Å; F880-F884 HydrophobicContact CG-CZ 4.47Å; F880-F884 HydrophobicContact CZ-CE1 4.27Å; F880-F884 HydrophobicContact CZ-CZ 4.29Å; F880-W931 AromaticContact CE2-CH2 3.82Å; F880-W931 HydrophobicContact CE2-CH2 3.82Å; F880-W931 AromaticContact CE2-CZ3 3.98Å; F880-W931 HydrophobicContact CE2-CZ3 3.98Å; F880-W931 HydrophobicContact CZ-CH2 4.13Å; F880-W931 HydrophobicContact CZ-CZ3 4.03Å; F880-I934 HydrophobicContact CE1-CG2 4.15Å; F880-I934 HydrophobicContact CZ-CG2 3.57Å; F880-I986 HydrophobicContact CD2-CD1 4.22Å; F880-I986 HydrophobicContact CD2-CG2 4.1Å; F880-I986 HydrophobicContact CE2-CD1 3.62Å; F880-G1015 PolarHBondContact N-O 3.37Å
881S97.6Very high96.3Very high13 Ų1326.6 Ų26.69%0.09115%0.149CC..  trans-77.1160.5174.283.70000111.6K851 Y852 A883 F884 C885K851-S881 WeakPolarHBondContact O-CB 3.34Å; K851-S881 PolarHBondContact O-OG 2.99Å; Y852-S881 PolarHBondContact O-N 3.03Å; S881-A883 PolarHBondContact O-N 2.96Å; S881-A883 PolarHBondContact OG-N 2.76Å; S881-F884 PolarHBondContact O-N 3.13Å; S881-F884 PolarHBondContact OG-N 3.02Å; S881-F884 VanDerWaalsContact OG-N 3.16Å; S881-C885 PolarHBondContact O-N 3.47Å; S881-C885 PolarHBondContact O-SG 2.84Å
882P96.6Very high96.3Very high70 Ų7026.4 Ų26.446%0.45515%0.148SC..Hα-helixtrans-56.2-29.7168.4-27.736.9000113.8K886 L1014P882-K886 WeakPolarHBondContact O-CB 3.4Å; P882-K886 PolarHBondContact O-N 2.7Å; P882-K886 VanDerWaalsContact O-N 3.07Å; P882-L1014 HydrophobicContact CB-CD2 3.77Å; P882-L1014 HydrophobicContact CG-CD2 4.06Å
883A94.8Very high96.4Very high36 Ų3626.2 Ų26.230%0.29814%0.141SC..Hα-helixtrans-69.7-40.2177.800000111.7K851 Y852 S881 K886 D887K851-A883 HydrophobicContact CG-CB 4.47Å; Y852-A883 HydrophobicContact CD1-CB 4.5Å; Y852-A883 HydrophobicContact CE1-CB 4.48Å; S881-A883 PolarHBondContact O-N 2.96Å; S881-A883 PolarHBondContact OG-N 2.76Å; A883-K886 PolarHBondContact O-N 2.77Å; A883-D887 WeakPolarHBondContact O-CB 3.49Å; A883-D887 VanDerWaalsContact O-CG 3.27Å; A883-D887 PolarHBondContact O-N 3.38Å
884F97.2Very high96.3Very high4 Ų425.9 Ų25.92%0.01815%0.15CC..Hα-helixtrans-60.4-48.5174.8176.3-90.7000110.9L838 W848 Y852 F880 S881 K886 D887 L888 W931 I934L838-F884 HydrophobicContact CD2-CD2 3.36Å; L838-F884 HydrophobicContact CD2-CE2 3.45Å; L838-F884 VanDerWaalsContact CD2-CE2 3.45Å; L838-F884 HydrophobicContact CD2-CG 4.33Å; L838-F884 HydrophobicContact CD2-CZ 4.44Å; W848-F884 HydrophobicContact CH2-CD2 4.29Å; W848-F884 HydrophobicContact CH2-CE2 4.27Å; W848-F884 AromaticContact CZ2-CD2 3.97Å; W848-F884 HydrophobicContact CZ2-CD2 3.97Å; W848-F884 AromaticContact CZ2-CE2 3.84Å; W848-F884 HydrophobicContact CZ2-CE2 3.84Å; Y852-F884 HydrophobicContact CD1-CB 3.54Å; Y852-F884 HydrophobicContact CD1-CD2 4.08Å; Y852-F884 HydrophobicContact CD1-CG 4.32Å; Y852-F884 HydrophobicContact CE1-CB 4.37Å; Y852-F884 HydrophobicContact CG-CB 4.07Å; Y852-F884 AromaticContact CG-CD2 3.99Å; Y852-F884 HydrophobicContact CG-CD2 3.99Å; F880-F884 HydrophobicContact CB-CB 3.93Å; F880-F884 HydrophobicContact CB-CD1 3.53Å; F880-F884 HydrophobicContact CB-CE1 4.36Å; F880-F884 HydrophobicContact CB-CG 3.87Å; F880-F884 AromaticContact CD1-CD1 3.97Å; F880-F884 HydrophobicContact CD1-CD1 3.97Å; F880-F884 HydrophobicContact CD1-CD2 4.27Å; F880-F884 HydrophobicContact CD1-CE1 4.28Å; F880-F884 AromaticContact CD1-CG 3.99Å; F880-F884 HydrophobicContact CD1-CG 3.99Å; F880-F884 AromaticContact CD2-CD1 3.45Å; F880-F884 HydrophobicContact CD2-CD1 3.45Å; F880-F884 VanDerWaalsContact CD2-CD1 3.45Å; F880-F884 AromaticContact CD2-CE1 3.39Å; F880-F884 HydrophobicContact CD2-CE1 3.39Å; F880-F884 HydrophobicContact CD2-CG 4.3Å; F880-F884 HydrophobicContact CD2-CZ 4.2Å; F880-F884 HydrophobicContact CE2-CD1 4.18Å; F880-F884 AromaticContact CE2-CE1 3.68Å; F880-F884 HydrophobicContact CE2-CE1 3.68Å; F880-F884 HydrophobicContact CE2-CZ 4.1Å; F880-F884 HydrophobicContact CG-CB 4.36Å; F880-F884 AromaticContact CG-CD1 3.36Å; F880-F884 HydrophobicContact CG-CD1 3.36Å; F880-F884 HydrophobicContact CG-CD2 4.47Å; F880-F884 AromaticContact CG-CE1 3.76Å; F880-F884 HydrophobicContact CG-CE1 3.76Å; F880-F884 AromaticContact CG-CG 3.79Å; F880-F884 HydrophobicContact CG-CG 3.79Å; F880-F884 HydrophobicContact CG-CZ 4.47Å; F880-F884 HydrophobicContact CZ-CE1 4.27Å; F880-F884 HydrophobicContact CZ-CZ 4.29Å; S881-F884 PolarHBondContact O-N 3.13Å; S881-F884 PolarHBondContact OG-N 3.02Å; S881-F884 VanDerWaalsContact OG-N 3.16Å; F884-K886 VanDerWaalsContact C-N 3.33Å; F884-K886 PolarHBondContact O-N 2.87Å; F884-D887 PolarHBondContact O-N 3.29Å; F884-L888 HydrophobicContact CE1-CB 4.36Å; F884-L888 HydrophobicContact CE1-CD2 3.77Å; F884-L888 HydrophobicContact CZ-CD2 3.97Å; F884-L888 VanDerWaalsContact O-CB 3.29Å; F884-L888 WeakPolarHBondContact O-CB 3.41Å; F884-L888 PolarHBondContact O-N 3.28Å; F884-W931 HydrophobicContact CE1-CZ3 4.4Å; F884-W931 AromaticContact CZ-CZ3 3.83Å; F884-W931 HydrophobicContact CZ-CZ3 3.83Å; F884-I934 HydrophobicContact CE2-CD1 4.34Å
885C97.5Very high96.1Very high1 Ų129.7 Ų29.71%0.00716%0.164CC..Hα-helixtrans-62-43.4-177-580000111.3S881 I889 L988 L1014S881-C885 PolarHBondContact O-N 3.47Å; S881-C885 PolarHBondContact O-SG 2.84Å; C885-I889 WeakPolarHBondContact O-CG1 3.38Å; C885-I889 PolarHBondContact O-N 3.31Å; C885-I889 VanDerWaalsContact O-N 3.08Å; C885-L988 HydrophobicContact CB-CB 4.43Å; C885-L988 HydrophobicContact CB-CD2 4.4Å; C885-L988 WeakPolarHBondContact CB-O 3.43Å; C885-L1014 HydrophobicContact CB-CD1 3.61Å; C885-L1014 HydrophobicContact CB-CG 4.46Å
886K94.9Very high96Very high107 Ų10729.9 Ų29.947%0.46518%0.177SC..Hα-helixtrans-62.6-53.4174.8-174.7-160.6143.6-62.10111.9P882 A883 F884 L888 I889 D890P882-K886 WeakPolarHBondContact O-CB 3.4Å; P882-K886 PolarHBondContact O-N 2.7Å; P882-K886 VanDerWaalsContact O-N 3.07Å; A883-K886 PolarHBondContact O-N 2.77Å; F884-K886 VanDerWaalsContact C-N 3.33Å; F884-K886 PolarHBondContact O-N 2.87Å; K886-L888 PolarHBondContact O-N 2.78Å; K886-I889 PolarHBondContact O-N 3Å; K886-D890 WeakPolarHBondContact CE-OD2 3.4Å; K886-D890 IonicContact NZ-OD2 3.69Å; K886-D890 PolarHBondContact NZ-OD2 3.11Å; K886-D890 PolarHBondContact O-N 3.2Å
887D94.9Very high95.9Very high24 Ų2436 Ų3613%0.12820%0.203CC..Hα-helixtrans-65.4-29.3-175.9-67.6-4.4000111.6L838 K851 Y852 A883 F884 T891L838-D887 HydrophobicContact CD1-CB 3.96Å; L838-D887 HydrophobicContact CD2-CB 4.43Å; L838-D887 HydrophobicContact CG-CB 4.09Å; K851-D887 IonicContact NZ-OD2 3.92Å; Y852-D887 HydrophobicContact CE1-CB 4.27Å; Y852-D887 WeakPolarHBondContact CE1-OD2 3.35Å; Y852-D887 PolarHBondContact OH-OD2 3.28Å; A883-D887 WeakPolarHBondContact O-CB 3.49Å; A883-D887 VanDerWaalsContact O-CG 3.27Å; A883-D887 PolarHBondContact O-N 3.38Å; F884-D887 PolarHBondContact O-N 3.29Å; D887-T891 WeakPolarHBondContact O-CB 3.01Å; D887-T891 PolarHBondContact O-N 3.03Å; D887-T891 PolarHBondContact O-OG1 2.93Å
888L97.2Very high95.8Very high2 Ų237.1 Ų37.11%0.0121%0.207CC..Hα-helixtrans-70.2-46.1173.7-171.367.2000111.2L838 F884 K886 T891 M892 M922 L927 V962 L988 M1041L838-L888 HydrophobicContact CD1-CB 4.34Å; L838-L888 HydrophobicContact CD1-CD1 4.35Å; F884-L888 HydrophobicContact CE1-CB 4.36Å; F884-L888 HydrophobicContact CE1-CD2 3.77Å; F884-L888 HydrophobicContact CZ-CD2 3.97Å; F884-L888 VanDerWaalsContact O-CB 3.29Å; F884-L888 WeakPolarHBondContact O-CB 3.41Å; F884-L888 PolarHBondContact O-N 3.28Å; K886-L888 PolarHBondContact O-N 2.78Å; L888-T891 WeakPolarHBondContact O-CB 3.3Å; L888-T891 PolarHBondContact O-N 2.84Å; L888-M892 HydrophobicContact CD1-CE 3.46Å; L888-M892 VanDerWaalsContact CD1-CE 3.46Å; L888-M892 HydrophobicContact CG-CE 4.07Å; L888-M892 WeakPolarHBondContact O-CG 3.41Å; L888-M892 PolarHBondContact O-N 3.22Å; L888-M922 HydrophobicContact CD1-SD 4.5Å; L888-L927 HydrophobicContact CD1-CD1 4.18Å; L888-V962 HydrophobicContact CD2-CG2 3.96Å; L888-V962 HydrophobicContact CG-CG2 4.2Å; L888-L988 HydrophobicContact CD2-CD1 3.85Å; L888-L988 HydrophobicContact CD2-CD2 3.94Å; L888-L988 HydrophobicContact CG-CD1 4.5Å; L888-M1041 HydrophobicContact CD2-CB 4.31Å; L888-M1041 HydrophobicContact CD2-CG 4.42Å
889I96.6Very high95.6Very high24 Ų2437.2 Ų37.212%0.12321%0.208CC..Hα-helixtrans-59.6-47.4174.3-70.9167.1000110.6C885 K886 T891 M892 E893 L988 N989 Y1039C885-I889 WeakPolarHBondContact O-CG1 3.38Å; C885-I889 PolarHBondContact O-N 3.31Å; C885-I889 VanDerWaalsContact O-N 3.08Å; K886-I889 PolarHBondContact O-N 3Å; I889-T891 VanDerWaalsContact C-N 3.26Å; I889-T891 PolarHBondContact O-N 2.83Å; I889-M892 PolarHBondContact O-N 3.08Å; I889-M892 VanDerWaalsContact O-N 3.08Å; I889-E893 HydrophobicContact CG2-CG 4.5Å; I889-E893 PolarHBondContact O-N 2.85Å; I889-L988 HydrophobicContact CD1-CB 3.84Å; I889-L988 VanDerWaalsContact CD1-O 3.29Å; I889-L988 WeakPolarHBondContact CD1-O 3Å; I889-L988 HydrophobicContact CG1-CB 4.1Å; I889-L988 HydrophobicContact CG1-CD1 4.35Å; I889-N989 HydrophobicContact CD1-CB 4.11Å; I889-Y1039 HydrophobicContact CD1-CD2 3.63Å; I889-Y1039 HydrophobicContact CD1-CE2 4.32Å; I889-Y1039 HydrophobicContact CD1-CG 3.96Å; I889-Y1039 HydrophobicContact CG1-CD1 4.4Å; I889-Y1039 HydrophobicContact CG1-CD2 3.97Å; I889-Y1039 HydrophobicContact CG1-CG 3.91Å; I889-Y1039 HydrophobicContact CG2-CD2 4.21Å; I889-Y1039 HydrophobicContact CG2-CE1 4.42Å; I889-Y1039 HydrophobicContact CG2-CE2 3.93Å
890D94.5Very high95.2Very high71 Ų7141.2 Ų41.238%0.3824%0.235SC..Hα-helixtrans-59.9-37.4178.3-72.5-12.6000111.4K886 A894K886-D890 WeakPolarHBondContact CE-OD2 3.4Å; K886-D890 IonicContact NZ-OD2 3.69Å; K886-D890 PolarHBondContact NZ-OD2 3.11Å; K886-D890 PolarHBondContact O-N 3.2Å; D890-A894 WeakPolarHBondContact O-CB 3.35Å; D890-A894 PolarHBondContact O-N 3.02Å
891T95.1Very high94.5Very high5 Ų542.2 Ų42.23%0.03125%0.246CC..Hα-helixtrans-63.2-44.4173.3-64.40000112.2S835 D887 L888 I889 Y895 V925 L927S835-T891 WeakPolarHBondContact CB-OG1 3.4Å; D887-T891 WeakPolarHBondContact O-CB 3.01Å; D887-T891 PolarHBondContact O-N 3.03Å; D887-T891 PolarHBondContact O-OG1 2.93Å; L888-T891 WeakPolarHBondContact O-CB 3.3Å; L888-T891 PolarHBondContact O-N 2.84Å; I889-T891 VanDerWaalsContact C-N 3.26Å; I889-T891 PolarHBondContact O-N 2.83Å; T891-Y895 PolarHBondContact O-N 2.81Å; T891-Y895 VanDerWaalsContact O-N 3.12Å; T891-V925 HydrophobicContact CG2-CB 4.19Å; T891-V925 HydrophobicContact CG2-CG1 4.4Å; T891-V925 HydrophobicContact CG2-CG2 4.42Å; T891-L927 HydrophobicContact CG2-CD1 4.18Å
892M95.8Very high93.9Very high0 Ų043.9 Ų43.90%026%0.258CS..Hα-helixtrans-67.9-44.1179.9-61.7-50.8138.400112L888 I889 Y895 G896 W898 I920 M922 V925 V962L888-M892 HydrophobicContact CD1-CE 3.46Å; L888-M892 VanDerWaalsContact CD1-CE 3.46Å; L888-M892 HydrophobicContact CG-CE 4.07Å; L888-M892 WeakPolarHBondContact O-CG 3.41Å; L888-M892 PolarHBondContact O-N 3.22Å; I889-M892 PolarHBondContact O-N 3.08Å; I889-M892 VanDerWaalsContact O-N 3.08Å; M892-Y895 PolarHBondContact O-N 3.34Å; M892-G896 PolarHBondContact O-N 2.75Å; M892-W898 HydrophobicContact CB-CH2 3.72Å; M892-W898 HydrophobicContact CB-CZ2 3.63Å; M892-W898 HydrophobicContact CG-CH2 4.34Å; M892-I920 HydrophobicContact CB-CD1 3.98Å; M892-I920 VanDerWaalsContact O-CD1 3.23Å; M892-I920 WeakPolarHBondContact O-CD1 3.45Å; M892-I920 HydrophobicContact SD-CB 3.81Å; M892-I920 HydrophobicContact SD-CD1 4.48Å; M892-I920 HydrophobicContact SD-CG2 3.57Å; M892-I920 VanDerWaalsContact SD-CG2 3.57Å; M892-M922 HydrophobicContact CE-CE 3.48Å; M892-M922 VanDerWaalsContact CE-CE 3.48Å; M892-M922 HydrophobicContact CE-SD 4.32Å; M892-M922 HydrophobicContact SD-CE 4.22Å; M892-V925 HydrophobicContact CE-CG2 3.86Å; M892-V925 HydrophobicContact SD-CG1 4.22Å; M892-V925 HydrophobicContact SD-CG2 4.36Å; M892-V962 HydrophobicContact CE-CG2 4.1Å; M892-V962 HydrophobicContact CG-CB 3.9Å; M892-V962 HydrophobicContact CG-CG1 4.08Å; M892-V962 HydrophobicContact CG-CG2 3.92Å; M892-V962 HydrophobicContact SD-CB 4.3Å; M892-V962 HydrophobicContact SD-CG2 4.22Å
893E95.5Very high93.4Very high66 Ų6644 Ų4431%0.30825%0.252SS..Hα-helixtrans-73.6-30.1179.2-68.4-62.9172.600112.9I889 Y895 G896 W898 R964 Y1039I889-E893 HydrophobicContact CG2-CG 4.5Å; I889-E893 PolarHBondContact O-N 2.85Å; E893-Y895 VanDerWaalsContact C-N 3.31Å; E893-Y895 PolarHBondContact O-N 2.65Å; E893-G896 PolarHBondContact O-N 2.92Å; E893-W898 HydrophobicContact CG-CZ2 4.17Å; E893-W898 WeakPolarHBondContact OE1-CZ2 3.49Å; E893-W898 PolarHBondContact OE1-NE1 2.79Å; E893-W898 PolarHBondContact OE2-NE1 2.65Å; E893-R964 VanDerWaalsContact OE1-CD 3.29Å; E893-R964 WeakPolarHBondContact OE1-CD 3.4Å; E893-R964 IonicContact OE1-CZ 2.67Å; E893-R964 IonicContact OE1-NE 3.41Å; E893-R964 IonicContact OE1-NH1 3.55Å; E893-R964 PolarHBondContact OE1-NH1 2.99Å; E893-R964 IonicContact OE2-NH1 3.22Å; E893-R964 PolarHBondContact OE2-NH1 3.2Å; E893-R964 VanDerWaalsContact OE2-NH1 3.17Å; E893-Y1039 PolarHBondContact OE1-OH 3.05Å
894A92.9Very high92.8Very high73 Ų7349.6 Ų49.660%0.60327%0.272SS*.Hα-helixtrans-65.5-33.2169.300000112.5D890D890-A894 WeakPolarHBondContact O-CB 3.35Å; D890-A894 PolarHBondContact O-N 3.02Å
895Y94Very high92Very high79 Ų7950 Ų5031%0.3127%0.274SS..Hα-helixtrans-72.5-40.5171.8-176.1-107.4000112.2T891 M892 E893 K897 I920 Q924 V925T891-Y895 PolarHBondContact O-N 2.81Å; T891-Y895 VanDerWaalsContact O-N 3.12Å; M892-Y895 PolarHBondContact O-N 3.34Å; E893-Y895 VanDerWaalsContact C-N 3.31Å; E893-Y895 PolarHBondContact O-N 2.65Å; Y895-K897 HydrophobicContact CD1-CB 4.02Å; Y895-K897 HydrophobicContact CE1-CB 3.62Å; Y895-K897 HydrophobicContact CE1-CD 4.26Å; Y895-K897 HydrophobicContact CE1-CG 4.3Å; Y895-K897 HydrophobicContact CE2-CD 4.48Å; Y895-K897 PolarHBondContact O-N 3.09Å; Y895-I920 HydrophobicContact CD1-CD1 3.91Å; Y895-I920 HydrophobicContact CD1-CG1 4.19Å; Y895-I920 HydrophobicContact CD1-CG2 3.89Å; Y895-I920 HydrophobicContact CE1-CG2 4.22Å; Y895-Q924 HydrophobicContact CE1-CB 3.99Å; Y895-Q924 WeakPolarHBondContact CE2-O 3.39Å; Y895-V925 HydrophobicContact CD1-CG1 4.12Å; Y895-V925 HydrophobicContact CD2-CG1 4.05Å; Y895-V925 HydrophobicContact CG-CG1 3.74Å
896G93.8Very high91.2Very high40 Ų4054.8 Ų54.841%0.41231%0.314SS..  trans68.9-13.8167.300000117.2M892 E893 W898M892-G896 PolarHBondContact O-N 2.75Å; E893-G896 PolarHBondContact O-N 2.92Å; G896-W898 PolarHBondContact O-N 2.85Å
897K94.3Very high90.5Very high137 Ų13753.5 Ų53.560%0.59631%0.306SS*.  trans-85.854.6-177.8-56.8173.6-171.8172.60112.9Y895 R907Y895-K897 HydrophobicContact CD1-CB 4.02Å; Y895-K897 HydrophobicContact CE1-CB 3.62Å; Y895-K897 HydrophobicContact CE1-CD 4.26Å; Y895-K897 HydrophobicContact CE1-CG 4.3Å; Y895-K897 HydrophobicContact CE2-CD 4.48Å; Y895-K897 PolarHBondContact O-N 3.09Å; K897-R907 PolarHBondContact O-NH1 2.98Å; K897-R907 VanDerWaalsContact O-NH1 3.09Å
898W95.2Very high89.6Confident25 Ų2553.5 Ų53.510%0.09531%0.306CS..  trans-53.7147.8170.3-63.495.1000111.8M892 E893 G896 R918 I920 V962 R964 Y1039M892-W898 HydrophobicContact CB-CH2 3.72Å; M892-W898 HydrophobicContact CB-CZ2 3.63Å; M892-W898 HydrophobicContact CG-CH2 4.34Å; E893-W898 HydrophobicContact CG-CZ2 4.17Å; E893-W898 WeakPolarHBondContact OE1-CZ2 3.49Å; E893-W898 PolarHBondContact OE1-NE1 2.79Å; E893-W898 PolarHBondContact OE2-NE1 2.65Å; G896-W898 PolarHBondContact O-N 2.85Å; W898-R918 HydrophobicContact CB-CG 4.39Å; W898-I920 HydrophobicContact CD2-CD1 3.56Å; W898-I920 HydrophobicContact CD2-CG1 3.94Å; W898-I920 HydrophobicContact CE3-CD1 3.89Å; W898-I920 HydrophobicContact CE3-CG1 3.85Å; W898-I920 HydrophobicContact CG-CD1 3.96Å; W898-I920 HydrophobicContact CG-CG1 4.33Å; W898-I920 HydrophobicContact CH2-CD1 4.23Å; W898-I920 HydrophobicContact CZ2-CD1 3.94Å; W898-I920 HydrophobicContact CZ3-CD1 4.2Å; W898-I920 HydrophobicContact CZ3-CG1 4.26Å; W898-V962 HydrophobicContact CH2-CG1 3.99Å; W898-V962 HydrophobicContact CZ3-CG1 4.28Å; W898-R964 HydrophobicContact CD2-CB 4.49Å; W898-R964 HydrophobicContact CE3-CB 3.9Å; W898-R964 HydrophobicContact CH2-CB 3.83Å; W898-R964 HydrophobicContact CZ2-CB 4.4Å; W898-R964 HydrophobicContact CZ3-CB 3.55Å; W898-Y1039 HydrophobicContact CH2-CD1 4.02Å; W898-Y1039 AromaticContact CH2-CE1 3.85Å; W898-Y1039 HydrophobicContact CH2-CE1 3.85Å; W898-Y1039 AromaticContact CZ2-CE1 3.9Å; W898-Y1039 HydrophobicContact CZ2-CE1 3.9Å
899S93.4Very high88.3Confident5 Ų562.6 Ų62.64%0.03535%0.354CS..  trans-61.5168.5174.8104.70000112G901 R907 T917 R918 D919S899-G901 PolarHBondContact OG-N 2.89Å; S899-R907 VanDerWaalsContact CB-CZ 3.46Å; S899-T917 PolarHBondContact OG-O 2.8Å; S899-R918 WeakPolarHBondContact O-CG 3.28Å; S899-R918 PolarHBondContact O-NE 3.07Å; S899-R918 WeakPolarHBondContact OG-CA 3.13Å; S899-D919 PolarHBondContact N-O 3.5Å
900S88.4Confident87.1Confident83 Ų8365 Ų6558%0.5839%0.385SS*.  trans-79.6-12.517038.10000114.3S902S900-S902 VanDerWaalsContact C-N 3.26Å; S900-S902 PolarHBondContact OG-OG 3.07Å
901G84.9Confident86.3Confident21 Ų2162.9 Ų62.922%0.21638%0.379CS..SBendtrans69.722.2-167.800000113.2S899 P916S899-G901 PolarHBondContact OG-N 2.89Å; G901-P916 WeakPolarHBondContact O-CG 3.44Å
902S85.2Confident85.5Confident49 Ų4969.1 Ų69.134%0.34340%0.404SS..SBendtrans-102.7152.4-179.358.80000112.6S900 E904 P916S900-S902 VanDerWaalsContact C-N 3.26Å; S900-S902 PolarHBondContact OG-OG 3.07Å; S902-E904 PolarHBondContact O-N 3.32Å; S902-E904 PolarHBondContact OG-O 2.61Å; S902-P916 VanDerWaalsContact C-CB 3.47Å; S902-P916 VanDerWaalsContact O-CB 3.31Å; S902-P916 WeakPolarHBondContact O-CB 3.38Å
903H84.7Confident84.7Confident71 Ų7169.9 Ų69.933%0.32941%0.407SS..SBendtrans-58.8-29.2177.7-75.8-67.1000114.6Y912 E913 N914 P916H903-Y912 HydrophobicContact CB-CD2 4.36Å; H903-Y912 HydrophobicContact CB-CE2 3.72Å; H903-Y912 CarbonylContact O-C 3.49Å; H903-Y912 VanDerWaalsContact O-CA 3.29Å; H903-Y912 WeakPolarHBondContact O-CA 3.33Å; H903-Y912 WeakPolarHBondContact O-CD2 3.42Å; H903-E913 PolarHBondContact ND1-O 2.86Å; H903-E913 PolarHBondContact O-N 2.88Å; H903-N914 PolarHBondContact CE1-O 3.32Å; H903-N914 VanDerWaalsContact CE1-O 3.3Å; H903-P916 VanDerWaalsContact CE1-CD 3.42Å; H903-P916 WeakPolarHBondContact CE1-CD 3.37Å; H903-P916 WeakPolarHBondContact ND1-CD 3.39Å
904E82Confident83.9Confident155 Ų15572.3 Ų72.372%0.72442%0.422SS*.BIsolated β-bridgetrans-91.7123.5172.9-66.4-178.7-178.300109.4S902S902-E904 PolarHBondContact O-N 3.32Å; S902-E904 PolarHBondContact OG-O 2.61Å
905D80.8Confident83.4Confident11 Ų1170.1 Ų70.16%0.05940%0.401CS..  trans-144.2100175-168.9-13.5000111.1R907 L908 G911D905-R907 VanDerWaalsContact CG-NE 3.35Å; D905-R907 PolarHBondContact O-N 3.28Å; D905-R907 VanDerWaalsContact O-N 3.08Å; D905-R907 WeakPolarHBondContact OD1-CA 3.1Å; D905-R907 WeakPolarHBondContact OD1-CB 3.04Å; D905-R907 WeakPolarHBondContact OD1-CG 3.34Å; D905-R907 PolarHBondContact OD1-N 3.21Å; D905-R907 IonicContact OD1-NE 3.2Å; D905-R907 PolarHBondContact OD1-NE 3.46Å; D905-R907 IonicContact OD2-CZ 3.54Å; D905-R907 IonicContact OD2-NE 3.13Å; D905-R907 PolarHBondContact OD2-NE 3.02Å; D905-R907 IonicContact OD2-NH2 2.68Å; D905-R907 PolarHBondContact OD2-NH2 2.82Å; D905-L908 HydrophobicContact CB-CD1 4.08Å; D905-L908 HydrophobicContact CB-CG 4.12Å; D905-L908 PolarHBondContact O-N 3.21Å; D905-G911 PolarHBondContact N-O 3.4Å; D905-G911 CarbonylContact O-C 3.57Å; D905-G911 VanDerWaalsContact O-CA 3.3Å; D905-G911 WeakPolarHBondContact O-CA 3.39Å
906A80.8Confident83.1Confident103 Ų10367 Ų6785%0.85139%0.391SS*.THydrogen-bonded Turntrans-65.1-7.1177.800000114.4L908A906-L908 VanDerWaalsContact C-N 3.3Å
907R81.2Confident83Confident79 Ų7965.3 Ų65.330%0.29837%0.372SS..THydrogen-bonded Turntrans-76.8-19.5172.3-50.9170-44.9140.119.9111.5K897 S899 D905 D919 Q924K897-R907 PolarHBondContact O-NH1 2.98Å; K897-R907 VanDerWaalsContact O-NH1 3.09Å; S899-R907 VanDerWaalsContact CB-CZ 3.46Å; D905-R907 VanDerWaalsContact CG-NE 3.35Å; D905-R907 PolarHBondContact O-N 3.28Å; D905-R907 VanDerWaalsContact O-N 3.08Å; D905-R907 WeakPolarHBondContact OD1-CA 3.1Å; D905-R907 WeakPolarHBondContact OD1-CB 3.04Å; D905-R907 WeakPolarHBondContact OD1-CG 3.34Å; D905-R907 PolarHBondContact OD1-N 3.21Å; D905-R907 IonicContact OD1-NE 3.2Å; D905-R907 PolarHBondContact OD1-NE 3.46Å; D905-R907 IonicContact OD2-CZ 3.54Å; D905-R907 IonicContact OD2-NE 3.13Å; D905-R907 PolarHBondContact OD2-NE 3.02Å; D905-R907 IonicContact OD2-NH2 2.68Å; D905-R907 PolarHBondContact OD2-NH2 2.82Å; R907-D919 IonicContact CZ-OD1 2.71Å; R907-D919 PolarHBondContact NH1-O 2.88Å; R907-D919 IonicContact NH2-OD1 3.9Å; R907-D919 PolarHBondContact NH2-OD1 2.82Å; R907-Q924 VanDerWaalsContact CD-NE2 3.31Å
908L75.8Confident83Confident24 Ų2462 Ų6213%0.12636%0.356CS..SBendtrans-93.8151.3-177.9-60.8-179.3000113.3D905 A906 G910 G911 E913 H921 M959D905-L908 HydrophobicContact CB-CD1 4.08Å; D905-L908 HydrophobicContact CB-CG 4.12Å; D905-L908 PolarHBondContact O-N 3.21Å; A906-L908 VanDerWaalsContact C-N 3.3Å; L908-G910 PolarHBondContact O-N 3.27Å; L908-G911 PolarHBondContact O-N 2.92Å; L908-E913 HydrophobicContact CD1-CB 3.89Å; L908-E913 HydrophobicContact CD1-CG 4.39Å; L908-H921 WeakPolarHBondContact CD2-NE2 3.43Å; L908-M959 HydrophobicContact CD1-CE 4.33Å; L908-M959 HydrophobicContact CD2-CE 4.3Å
909L69.3Low83Confident193 Ų19360.8 Ų60.8100%1.0135%0.351SS*.THydrogen-bonded Turntrans-75.890.6-179.9-143.9155.8000110
910G71.7Confident83.1Confident75 Ų7560.5 Ų60.577%0.77335%0.35SS*.THydrogen-bonded Turntrans124.2-11.9-172.700000113.9L908 Y912L908-G910 PolarHBondContact O-N 3.27Å; G910-Y912 VanDerWaalsContact C-N 3.27Å; G910-Y912 PolarHBondContact O-N 2.86Å
911G76.8Confident83.4Confident26 Ų2656.8 Ų56.827%0.26832%0.323SS..SBendtrans760.2171.500000116.6D905 L908D905-G911 PolarHBondContact N-O 3.4Å; D905-G911 CarbonylContact O-C 3.57Å; D905-G911 VanDerWaalsContact O-CA 3.3Å; D905-G911 WeakPolarHBondContact O-CA 3.39Å; L908-G911 PolarHBondContact O-N 2.92Å
912Y78.9Confident83.9Confident137 Ų13755.9 Ų55.954%0.53731%0.313SS..BIsolated β-bridgetrans-138.5135.5-172.3-170.1-91000112.8H903 G910 N914H903-Y912 HydrophobicContact CB-CD2 4.36Å; H903-Y912 HydrophobicContact CB-CE2 3.72Å; H903-Y912 CarbonylContact O-C 3.49Å; H903-Y912 VanDerWaalsContact O-CA 3.29Å; H903-Y912 WeakPolarHBondContact O-CA 3.33Å; H903-Y912 WeakPolarHBondContact O-CD2 3.42Å; G910-Y912 VanDerWaalsContact C-N 3.27Å; G910-Y912 PolarHBondContact O-N 2.86Å; Y912-N914 WeakPolarHBondContact CE1-OD1 3.4Å
913E78.9Confident84.3Confident16 Ų1657.5 Ų57.58%0.07532%0.318CS..  trans-121.1123.9177.1-171160.7-128.400111.8H903 L908 V915 P916 T917H903-E913 PolarHBondContact ND1-O 2.86Å; H903-E913 PolarHBondContact O-N 2.88Å; L908-E913 HydrophobicContact CD1-CB 3.89Å; L908-E913 HydrophobicContact CD1-CG 4.39Å; E913-V915 VanDerWaalsContact C-N 3.29Å; E913-V915 PolarHBondContact O-N 3.04Å; E913-P916 HydrophobicContact CB-CB 4.41Å; E913-P916 HydrophobicContact CG-CB 4.44Å; E913-P916 VanDerWaalsContact OE2-CA 3.3Å; E913-P916 WeakPolarHBondContact OE2-CA 3.31Å; E913-T917 PolarHBondContact OE2-N 3.25Å
914N78.5Confident84.7Confident117 Ų11755.9 Ų55.963%0.62631%0.31SS*.SBendtrans-66.7-29.6-175.4-71.3-23.8000113.3H903 Y912 R974H903-N914 PolarHBondContact CE1-O 3.32Å; H903-N914 VanDerWaalsContact CE1-O 3.3Å; Y912-N914 WeakPolarHBondContact CE1-OD1 3.4Å; N914-R974 PolarHBondContact O-NH2 3.01Å
915V84Confident85.2Confident27 Ų2749.6 Ų49.616%0.16428%0.283CS..SBendtrans-143.279.8-175.6-169.30000107.3E913 L973 R974 H976E913-V915 VanDerWaalsContact C-N 3.29Å; E913-V915 PolarHBondContact O-N 3.04Å; V915-L973 HydrophobicContact CG1-CD1 3.8Å; V915-L973 HydrophobicContact CG1-CG 4.09Å; V915-R974 HydrophobicContact CG1-CG 4.17Å; V915-H976 HydrophobicContact CB-CB 4.41Å; V915-H976 HydrophobicContact CG1-CB 3.99Å; V915-H976 HydrophobicContact CG2-CB 3.75Å
916P87.7Confident85.6Confident14 Ų1452 Ų529%0.09131%0.311CS..  trans-71.3140.6-164.528.7-36.8000112.4G901 S902 H903 E913 Q970G901-P916 WeakPolarHBondContact O-CG 3.44Å; S902-P916 VanDerWaalsContact C-CB 3.47Å; S902-P916 VanDerWaalsContact O-CB 3.31Å; S902-P916 WeakPolarHBondContact O-CB 3.38Å; H903-P916 VanDerWaalsContact CE1-CD 3.42Å; H903-P916 WeakPolarHBondContact CE1-CD 3.37Å; H903-P916 WeakPolarHBondContact ND1-CD 3.39Å; E913-P916 HydrophobicContact CB-CB 4.41Å; E913-P916 HydrophobicContact CG-CB 4.44Å; E913-P916 VanDerWaalsContact OE2-CA 3.3Å; E913-P916 WeakPolarHBondContact OE2-CA 3.31Å; P916-Q970 PolarHBondContact O-NE2 2.86Å
917T90.9Very high86.3Confident4 Ų447.5 Ų47.53%0.02527%0.272CS..  trans-115.7163.9173.338.90000111.3S899 E913 D919 V963 Q970 L973S899-T917 PolarHBondContact OG-O 2.8Å; E913-T917 PolarHBondContact OE2-N 3.25Å; T917-D919 VanDerWaalsContact C-OD2 3.26Å; T917-D919 WeakPolarHBondContact CB-OD2 3.28Å; T917-D919 PolarHBondContact OG1-OD2 3.34Å; T917-V963 HydrophobicContact CG2-CG1 3.92Å; T917-V963 HydrophobicContact CG2-CG2 4.03Å; T917-Q970 VanDerWaalsContact C-OE1 3.32Å; T917-L973 HydrophobicContact CG2-CD1 3.72Å; T917-L973 HydrophobicContact CG2-CD2 3.66Å; T917-L973 HydrophobicContact CG2-CG 4.33Å
918R94.1Very high86.9Confident66 Ų6647.2 Ų47.225%0.24927%0.274CS..SBendtrans-92.896.4173-169144.9-160.1-157.1-7.3109.9W898 S899 R964 E969 Q970W898-R918 HydrophobicContact CB-CG 4.39Å; S899-R918 WeakPolarHBondContact O-CG 3.28Å; S899-R918 PolarHBondContact O-NE 3.07Å; S899-R918 WeakPolarHBondContact OG-CA 3.13Å; R918-R964 PolarHBondContact O-N 3.21Å; R918-E969 WeakPolarHBondContact CD-OE2 3.45Å; R918-E969 IonicContact CZ-OE1 2.85Å; R918-E969 IonicContact CZ-OE2 3.04Å; R918-E969 IonicContact NE-OE2 3.62Å; R918-E969 IonicContact NH1-OE1 3.77Å; R918-E969 PolarHBondContact NH1-OE1 3.17Å; R918-E969 IonicContact NH1-OE2 2.78Å; R918-E969 PolarHBondContact NH1-OE2 2.92Å; R918-Q970 HydrophobicContact CB-CB 4.28Å
919D95.5Very high87.7Confident0 Ų049.1 Ų49.10%029%0.293CS..EExtended strand (participates in β ladder)trans-142.6169.9-159.155.449.4000116.3S899 R907 T917 H921 F961 V962 V963S899-D919 PolarHBondContact N-O 3.5Å; R907-D919 IonicContact CZ-OD1 2.71Å; R907-D919 PolarHBondContact NH1-O 2.88Å; R907-D919 IonicContact NH2-OD1 3.9Å; R907-D919 PolarHBondContact NH2-OD1 2.82Å; T917-D919 VanDerWaalsContact C-OD2 3.26Å; T917-D919 WeakPolarHBondContact CB-OD2 3.28Å; T917-D919 PolarHBondContact OG1-OD2 3.34Å; D919-H921 IonicContact OD1-CD2 2.8Å; D919-F961 HydrophobicContact CB-CB 4.39Å; D919-F961 HydrophobicContact CB-CD2 3.97Å; D919-V962 WeakPolarHBondContact CA-O 2.98Å; D919-V962 WeakPolarHBondContact CB-O 3.41Å; D919-V963 HydrophobicContact CB-CG2 4.39Å
920I95.7Very high88.9Confident0 Ų040.5 Ų40.50%025%0.249CC..EExtended strand (participates in β ladder)trans-134.4128.1167.1-64.9164.9000108.6M892 Y895 W898 Q924 V925 F961 V962M892-I920 HydrophobicContact CB-CD1 3.98Å; M892-I920 VanDerWaalsContact O-CD1 3.23Å; M892-I920 WeakPolarHBondContact O-CD1 3.45Å; M892-I920 HydrophobicContact SD-CB 3.81Å; M892-I920 HydrophobicContact SD-CD1 4.48Å; M892-I920 HydrophobicContact SD-CG2 3.57Å; M892-I920 VanDerWaalsContact SD-CG2 3.57Å; Y895-I920 HydrophobicContact CD1-CD1 3.91Å; Y895-I920 HydrophobicContact CD1-CG1 4.19Å; Y895-I920 HydrophobicContact CD1-CG2 3.89Å; Y895-I920 HydrophobicContact CE1-CG2 4.22Å; W898-I920 HydrophobicContact CD2-CD1 3.56Å; W898-I920 HydrophobicContact CD2-CG1 3.94Å; W898-I920 HydrophobicContact CE3-CD1 3.89Å; W898-I920 HydrophobicContact CE3-CG1 3.85Å; W898-I920 HydrophobicContact CG-CD1 3.96Å; W898-I920 HydrophobicContact CG-CG1 4.33Å; W898-I920 HydrophobicContact CH2-CD1 4.23Å; W898-I920 HydrophobicContact CZ2-CD1 3.94Å; W898-I920 HydrophobicContact CZ3-CD1 4.2Å; W898-I920 HydrophobicContact CZ3-CG1 4.26Å; I920-Q924 HydrophobicContact CG2-CB 4.3Å; I920-V925 HydrophobicContact CG2-CG1 3.82Å; I920-F961 CarbonylContact O-C 3.57Å; I920-F961 VanDerWaalsContact O-CA 3.29Å; I920-F961 WeakPolarHBondContact O-CA 3.31Å; I920-V962 PolarHBondContact N-O 2.7Å; I920-V962 PolarHBondContact O-N 3.09Å
921H94.9Very high90.1Very high5 Ų537.1 Ų37.12%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-84.4147.6177.7-76.6-117.9000112.3L908 D919 N923 Q924 N960 F961L908-H921 WeakPolarHBondContact CD2-NE2 3.43Å; D919-H921 IonicContact OD1-CD2 2.8Å; H921-N923 VanDerWaalsContact CB-OD1 3.25Å; H921-N923 WeakPolarHBondContact CB-OD1 3.41Å; H921-N923 PolarHBondContact O-N 2.81Å; H921-N923 VanDerWaalsContact O-N 3.13Å; H921-Q924 HydrophobicContact CB-CG 4.14Å; H921-Q924 WeakPolarHBondContact O-CB 3.42Å; H921-Q924 PolarHBondContact O-N 3.03Å; H921-N960 CarbonylContact C-O 3.55Å; H921-N960 WeakPolarHBondContact CA-O 3.35Å; H921-F961 HydrophobicContact CB-CB 4.48Å; H921-F961 AromaticContact CE1-CD1 3.91Å; H921-F961 AromaticContact NE2-CG 3.92Å
922M95.3Very high91Very high2 Ų238.7 Ų38.71%0.0121%0.214CC..THydrogen-bonded Turntrans-58.7-29.5-178.6-64-59.899.700113.6L888 M892 Q924 V925 G926 L927 E928 W931 N960 V962 M1041L888-M922 HydrophobicContact CD1-SD 4.5Å; M892-M922 HydrophobicContact CE-CE 3.48Å; M892-M922 VanDerWaalsContact CE-CE 3.48Å; M892-M922 HydrophobicContact CE-SD 4.32Å; M892-M922 HydrophobicContact SD-CE 4.22Å; M922-Q924 VanDerWaalsContact C-N 3.35Å; M922-V925 WeakPolarHBondContact O-CG2 3.42Å; M922-G926 PolarHBondContact O-N 3.48Å; M922-L927 HydrophobicContact CB-CB 4.47Å; M922-L927 PolarHBondContact O-N 2.91Å; M922-L927 HydrophobicContact SD-CB 4.28Å; M922-E928 HydrophobicContact CB-CB 4.35Å; M922-E928 PolarHBondContact O-N 3.48Å; M922-W931 HydrophobicContact CB-CB 4.36Å; M922-W931 HydrophobicContact CG-CB 3.93Å; M922-W931 HydrophobicContact CG-CD2 4.46Å; M922-W931 HydrophobicContact CG-CG 3.89Å; M922-W931 HydrophobicContact SD-CB 4.49Å; M922-W931 HydrophobicContact SD-CG 4.47Å; M922-N960 HydrophobicContact CB-CB 4.23Å; M922-N960 HydrophobicContact CG-CB 3.71Å; M922-N960 WeakPolarHBondContact CG-O 3.45Å; M922-N960 PolarHBondContact N-O 2.88Å; M922-V962 HydrophobicContact CE-CG2 3.83Å; M922-M1041 HydrophobicContact CE-CE 3.78Å; M922-M1041 HydrophobicContact CE-SD 3.69Å; M922-M1041 HydrophobicContact CG-CE 3.57Å; M922-M1041 HydrophobicContact SD-CE 3.7Å; M922-M1041 HydrophobicContact SD-SD 4.23Å
923N92.5Very high91.8Very high82 Ų8235.3 Ų35.344%0.43920%0.202SC..THydrogen-bonded Turntrans-71.2-28.1177.162.31.8000112.9H921 V925 G926 E928H921-N923 VanDerWaalsContact CB-OD1 3.25Å; H921-N923 WeakPolarHBondContact CB-OD1 3.41Å; H921-N923 PolarHBondContact O-N 2.81Å; H921-N923 VanDerWaalsContact O-N 3.13Å; N923-V925 VanDerWaalsContact C-N 3.28Å; N923-V925 PolarHBondContact O-N 2.83Å; N923-G926 PolarHBondContact O-N 3.33Å; N923-E928 HydrophobicContact CB-CB 4Å; N923-E928 HydrophobicContact CB-CG 4.45Å
924Q92.8Very high92.7Very high37 Ų3734.7 Ų34.717%0.17320%0.2CC..THydrogen-bonded Turntrans-69.9-26.5178.5-61.3177.9-5500112.7Y895 R907 I920 H921 M922Y895-Q924 HydrophobicContact CE1-CB 3.99Å; Y895-Q924 WeakPolarHBondContact CE2-O 3.39Å; R907-Q924 VanDerWaalsContact CD-NE2 3.31Å; I920-Q924 HydrophobicContact CG2-CB 4.3Å; H921-Q924 HydrophobicContact CB-CG 4.14Å; H921-Q924 WeakPolarHBondContact O-CB 3.42Å; H921-Q924 PolarHBondContact O-N 3.03Å; M922-Q924 VanDerWaalsContact C-N 3.35Å
925V92.7Very high93.6Very high24 Ų2429.1 Ų29.115%0.14517%0.17CC..THydrogen-bonded Turntrans-107.69.5177.8-61.60000113.2T891 M892 Y895 I920 M922 N923 L927T891-V925 HydrophobicContact CG2-CB 4.19Å; T891-V925 HydrophobicContact CG2-CG1 4.4Å; T891-V925 HydrophobicContact CG2-CG2 4.42Å; M892-V925 HydrophobicContact CE-CG2 3.86Å; M892-V925 HydrophobicContact SD-CG1 4.22Å; M892-V925 HydrophobicContact SD-CG2 4.36Å; Y895-V925 HydrophobicContact CD1-CG1 4.12Å; Y895-V925 HydrophobicContact CD2-CG1 4.05Å; Y895-V925 HydrophobicContact CG-CG1 3.74Å; I920-V925 HydrophobicContact CG2-CG1 3.82Å; M922-V925 WeakPolarHBondContact O-CG2 3.42Å; N923-V925 VanDerWaalsContact C-N 3.28Å; N923-V925 PolarHBondContact O-N 2.83Å; V925-L927 VanDerWaalsContact C-N 3.29Å; V925-L927 HydrophobicContact CG2-CB 4.14Å; V925-L927 HydrophobicContact CG2-CD1 4.06Å; V925-L927 HydrophobicContact CG2-CG 4.04Å; V925-L927 PolarHBondContact O-N 2.91Å
926G90.2Very high94.2Very high62 Ų6229.3 Ų29.364%0.63917%0.17SC*.THydrogen-bonded Turntrans72.710.617700000116M922 N923M922-G926 PolarHBondContact O-N 3.48Å; N923-G926 PolarHBondContact O-N 3.33Å
927L94.1Very high94.6Very high8 Ų830.2 Ų30.24%0.04217%0.174CC..  trans-94.2-2-177.4-66.8-179.9000114.4L838 A839 L888 T891 M922 V925 A929 V930 W931L838-L927 HydrophobicContact CD1-CD1 4.49Å; A839-L927 HydrophobicContact CB-CD2 4.01Å; L888-L927 HydrophobicContact CD1-CD1 4.18Å; T891-L927 HydrophobicContact CG2-CD1 4.18Å; M922-L927 HydrophobicContact CB-CB 4.47Å; M922-L927 PolarHBondContact O-N 2.91Å; M922-L927 HydrophobicContact SD-CB 4.28Å; V925-L927 VanDerWaalsContact C-N 3.29Å; V925-L927 HydrophobicContact CG2-CB 4.14Å; V925-L927 HydrophobicContact CG2-CD1 4.06Å; V925-L927 HydrophobicContact CG2-CG 4.04Å; V925-L927 PolarHBondContact O-N 2.91Å; L927-A929 PolarHBondContact O-N 3.19Å; L927-V930 WeakPolarHBondContact O-CB 3.38Å; L927-V930 PolarHBondContact O-N 2.91Å; L927-V930 VanDerWaalsContact O-N 3.09Å; L927-W931 WeakPolarHBondContact O-CB 3.5Å; L927-W931 PolarHBondContact O-N 3.42Å
928E93.9Very high94.9Very high73 Ų7330.2 Ų30.234%0.34117%0.174SC..Hα-helixtrans-52.4-49.6-176.1179.8177.5-134.800113.7M922 N923 V930 W931 L932M922-E928 HydrophobicContact CB-CB 4.35Å; M922-E928 PolarHBondContact O-N 3.48Å; N923-E928 HydrophobicContact CB-CB 4Å; N923-E928 HydrophobicContact CB-CG 4.45Å; E928-V930 VanDerWaalsContact C-N 3.28Å; E928-V930 PolarHBondContact O-N 2.92Å; E928-W931 PolarHBondContact O-N 2.92Å; E928-L932 HydrophobicContact CG-CD1 4.1Å; E928-L932 HydrophobicContact CG-CG 4.47Å; E928-L932 WeakPolarHBondContact O-CB 3.11Å; E928-L932 WeakPolarHBondContact O-CG 3.32Å; E928-L932 PolarHBondContact O-N 3.08Å
929A93Very high95.1Very high64 Ų6427.1 Ų27.153%0.52916%0.162SC..Hα-helixtrans-64.2-34.2-179.500000112.9L927 K933L927-A929 PolarHBondContact O-N 3.19Å; A929-K933 PolarHBondContact O-N 3.42Å
930V94.5Very high95.1Very high12 Ų1228.8 Ų28.87%0.07317%0.168CC..Hα-helixtrans-72.1-42.1176.61720000110L838 L841 L842 L927 E928 K933 I934L838-V930 WeakPolarHBondContact O-CG1 3.08Å; L841-V930 HydrophobicContact CB-CG1 4.1Å; L841-V930 HydrophobicContact CD2-CG1 4.26Å; L842-V930 HydrophobicContact CD1-CG2 4.44Å; L927-V930 WeakPolarHBondContact O-CB 3.38Å; L927-V930 PolarHBondContact O-N 2.91Å; L927-V930 VanDerWaalsContact O-N 3.09Å; E928-V930 VanDerWaalsContact C-N 3.28Å; E928-V930 PolarHBondContact O-N 2.92Å; V930-K933 WeakPolarHBondContact O-CB 3.3Å; V930-K933 PolarHBondContact O-N 3.48Å; V930-K933 VanDerWaalsContact O-N 3.16Å; V930-I934 HydrophobicContact CG1-CD1 4.24Å; V930-I934 WeakPolarHBondContact O-CG1 3.29Å; V930-I934 PolarHBondContact O-N 3.29Å
931W96.8Very high95.1Very high4 Ų430.4 Ų30.42%0.01518%0.179CC..Hα-helixtrans-66.8-42.6177.6-171.5-99.1000112.8F880 F884 M922 L927 E928 K933 I934 L935 N960 I986 M1041 S1043F880-W931 AromaticContact CE2-CH2 3.82Å; F880-W931 HydrophobicContact CE2-CH2 3.82Å; F880-W931 AromaticContact CE2-CZ3 3.98Å; F880-W931 HydrophobicContact CE2-CZ3 3.98Å; F880-W931 HydrophobicContact CZ-CH2 4.13Å; F880-W931 HydrophobicContact CZ-CZ3 4.03Å; F884-W931 HydrophobicContact CE1-CZ3 4.4Å; F884-W931 AromaticContact CZ-CZ3 3.83Å; F884-W931 HydrophobicContact CZ-CZ3 3.83Å; M922-W931 HydrophobicContact CB-CB 4.36Å; M922-W931 HydrophobicContact CG-CB 3.93Å; M922-W931 HydrophobicContact CG-CD2 4.46Å; M922-W931 HydrophobicContact CG-CG 3.89Å; M922-W931 HydrophobicContact SD-CB 4.49Å; M922-W931 HydrophobicContact SD-CG 4.47Å; L927-W931 WeakPolarHBondContact O-CB 3.5Å; L927-W931 PolarHBondContact O-N 3.42Å; E928-W931 PolarHBondContact O-N 2.92Å; W931-K933 PolarHBondContact O-N 3.25Å; W931-I934 HydrophobicContact CE3-CB 4.34Å; W931-I934 HydrophobicContact CE3-CD1 3.73Å; W931-I934 HydrophobicContact CE3-CG2 4.1Å; W931-I934 HydrophobicContact CH2-CG2 4.27Å; W931-I934 HydrophobicContact CZ3-CD1 4.06Å; W931-I934 HydrophobicContact CZ3-CG2 3.95Å; W931-I934 WeakPolarHBondContact O-CA 3.1Å; W931-I934 VanDerWaalsContact O-CB 3.32Å; W931-I934 WeakPolarHBondContact O-CB 3.46Å; W931-I934 PolarHBondContact O-N 3.36Å; W931-I934 VanDerWaalsContact O-N 3.08Å; W931-L935 HydrophobicContact CZ2-CD2 4.39Å; W931-L935 WeakPolarHBondContact O-CG 3.35Å; W931-L935 PolarHBondContact O-N 2.92Å; W931-N960 VanDerWaalsContact CD1-CB 3.49Å; W931-N960 VanDerWaalsContact CD1-CG 3.42Å; W931-N960 VanDerWaalsContact CD1-OD1 3.25Å; W931-N960 HydrophobicContact CG-CB 4.36Å; W931-N960 PolarHBondContact NE1-OD1 2.89Å; W931-I986 HydrophobicContact CH2-CD1 3.97Å; W931-I986 HydrophobicContact CZ2-CD1 4.39Å; W931-M1041 HydrophobicContact CD2-CE 3.63Å; W931-M1041 HydrophobicContact CE3-CE 4.21Å; W931-M1041 HydrophobicContact CG-CE 4.07Å; W931-M1041 HydrophobicContact CH2-CE 4.12Å; W931-M1041 HydrophobicContact CH2-CG 3.46Å; W931-M1041 VanDerWaalsContact CH2-CG 3.46Å; W931-M1041 HydrophobicContact CZ2-CE 3.53Å; W931-M1041 HydrophobicContact CZ2-CG 3.54Å; W931-M1041 HydrophobicContact CZ2-SD 4.41Å; W931-M1041 HydrophobicContact CZ3-CE 4.44Å; W931-M1041 HydrophobicContact CZ3-CG 4.13Å; W931-S1043 WeakPolarHBondContact CZ2-OG 3.43Å; W931-S1043 PolarHBondContact NE1-OG 3.3Å
932L96.3Very high95.2Very high59 Ų5930.1 Ų30.131%0.30918%0.178SC..Hα-helixtrans-59.8-34.2171.5-70.4174.3000111.7E928 L935 D936 A957E928-L932 HydrophobicContact CG-CD1 4.1Å; E928-L932 HydrophobicContact CG-CG 4.47Å; E928-L932 WeakPolarHBondContact O-CB 3.11Å; E928-L932 WeakPolarHBondContact O-CG 3.32Å; E928-L932 PolarHBondContact O-N 3.08Å; L932-L935 HydrophobicContact CD2-CD1 4.37Å; L932-L935 PolarHBondContact O-N 2.97Å; L932-D936 PolarHBondContact O-N 3.1Å; L932-D936 VanDerWaalsContact O-N 3.14Å; L932-A957 HydrophobicContact CD2-CB 4.26Å
933K96.2Very high95.3Very high65 Ų6530 Ų3028%0.28318%0.177SC..Hα-helixtrans-70.1-37.7173.5-171.451.4170158.80112.7L841 L842 A929 V930 W931 L935 D936 D937L841-K933 HydrophobicContact CD2-CB 4.19Å; L841-K933 HydrophobicContact CD2-CG 4.06Å; L841-K933 HydrophobicContact CG-CG 4.49Å; L842-K933 HydrophobicContact CD2-CB 4.07Å; L842-K933 HydrophobicContact CD2-CG 3.83Å; A929-K933 PolarHBondContact O-N 3.42Å; V930-K933 WeakPolarHBondContact O-CB 3.3Å; V930-K933 PolarHBondContact O-N 3.48Å; V930-K933 VanDerWaalsContact O-N 3.16Å; W931-K933 PolarHBondContact O-N 3.25Å; K933-L935 VanDerWaalsContact C-N 3.32Å; K933-D936 IonicContact NZ-OD2 3.01Å; K933-D936 PolarHBondContact O-N 3.35Å; K933-D937 VanDerWaalsContact CE-CG 3.49Å; K933-D937 WeakPolarHBondContact CE-OD1 3.29Å; K933-D937 WeakPolarHBondContact CE-OD2 3.47Å; K933-D937 VanDerWaalsContact NZ-CG 3.3Å; K933-D937 IonicContact NZ-OD1 2.86Å; K933-D937 PolarHBondContact NZ-OD1 2.85Å; K933-D937 IonicContact NZ-OD2 3.97Å; K933-D937 PolarHBondContact NZ-OD2 2.89Å; K933-D937 WeakPolarHBondContact O-CB 3.21Å; K933-D937 PolarHBondContact O-N 2.84Å
934I97.5Very high95.4Very high3 Ų327.5 Ų27.52%0.01516%0.163CC..Hα-helixtrans-59.3-42.9171.1-74.8167.8000111L841 W848 F880 F884 V930 W931 Y938 V939L841-I934 HydrophobicContact CD2-CD1 4.4Å; L841-I934 HydrophobicContact CD2-CG1 3.58Å; W848-I934 HydrophobicContact CH2-CD1 3.75Å; W848-I934 HydrophobicContact CH2-CG1 3.9Å; W848-I934 HydrophobicContact CZ2-CD1 3.57Å; W848-I934 HydrophobicContact CZ2-CG1 4.08Å; F880-I934 HydrophobicContact CE1-CG2 4.15Å; F880-I934 HydrophobicContact CZ-CG2 3.57Å; F884-I934 HydrophobicContact CE2-CD1 4.34Å; V930-I934 HydrophobicContact CG1-CD1 4.24Å; V930-I934 WeakPolarHBondContact O-CG1 3.29Å; V930-I934 PolarHBondContact O-N 3.29Å; W931-I934 HydrophobicContact CE3-CB 4.34Å; W931-I934 HydrophobicContact CE3-CD1 3.73Å; W931-I934 HydrophobicContact CE3-CG2 4.1Å; W931-I934 HydrophobicContact CH2-CG2 4.27Å; W931-I934 HydrophobicContact CZ3-CD1 4.06Å; W931-I934 HydrophobicContact CZ3-CG2 3.95Å; W931-I934 WeakPolarHBondContact O-CA 3.1Å; W931-I934 VanDerWaalsContact O-CB 3.32Å; W931-I934 WeakPolarHBondContact O-CB 3.46Å; W931-I934 PolarHBondContact O-N 3.36Å; W931-I934 VanDerWaalsContact O-N 3.08Å; I934-Y938 HydrophobicContact CB-CD2 4.25Å; I934-Y938 HydrophobicContact CG1-CD2 4.19Å; I934-Y938 HydrophobicContact CG1-CE2 4.27Å; I934-Y938 HydrophobicContact CG2-CD2 4.23Å; I934-Y938 WeakPolarHBondContact O-CB 3.41Å; I934-Y938 PolarHBondContact O-N 2.85Å; I934-V939 PolarHBondContact O-N 3.19Å
935L97.5Very high95.4Very high0 Ų028.5 Ų28.50%017%0.166CC..Iπ-helixtrans-62.5-42.8176.5-64.9-177.4000111.9W931 L932 K933 V939 R940 P955 A957 V1045W931-L935 HydrophobicContact CZ2-CD2 4.39Å; W931-L935 WeakPolarHBondContact O-CG 3.35Å; W931-L935 PolarHBondContact O-N 2.92Å; L932-L935 HydrophobicContact CD2-CD1 4.37Å; L932-L935 PolarHBondContact O-N 2.97Å; K933-L935 VanDerWaalsContact C-N 3.32Å; L935-V939 HydrophobicContact CD2-CB 4.1Å; L935-V939 HydrophobicContact CD2-CG1 4.43Å; L935-V939 HydrophobicContact CD2-CG2 3.72Å; L935-V939 PolarHBondContact O-N 3.34Å; L935-R940 WeakPolarHBondContact O-CB 3.3Å; L935-R940 PolarHBondContact O-N 3.14Å; L935-P955 HydrophobicContact CB-CG 3.96Å; L935-A957 HydrophobicContact CD1-CB 3.52Å; L935-V1045 HydrophobicContact CD1-CG2 4.22Å; L935-V1045 HydrophobicContact CD2-CG2 4.47Å
936D96.7Very high95.4Very high32 Ų3227.9 Ų27.917%0.17116%0.164CC..Iπ-helixtrans-72.6-37.6179.9-174.537.3000114.2L932 K933 R940 P954 P955L932-D936 PolarHBondContact O-N 3.1Å; L932-D936 VanDerWaalsContact O-N 3.14Å; K933-D936 IonicContact NZ-OD2 3.01Å; K933-D936 PolarHBondContact O-N 3.35Å; D936-R940 PolarHBondContact O-NE 3.16Å; D936-R940 PolarHBondContact O-NH2 2.8Å; D936-R940 IonicContact OD1-CZ 3.55Å; D936-R940 IonicContact OD1-NE 3.73Å; D936-R940 PolarHBondContact OD1-NE 3.22Å; D936-R940 IonicContact OD1-NH2 3.67Å; D936-P954 HydrophobicContact CB-CB 4.36Å; D936-P955 HydrophobicContact CB-CG 4.33Å
937D95.9Very high95.6Very high33 Ų3327.1 Ų27.118%0.17614%0.143CC..Iπ-helixtrans-88.4-31.5-176.2-82.54.3000113.8K845 K933 P941K845-D937 IonicContact NZ-OD2 3.43Å; K845-D937 PolarHBondContact NZ-OD2 3.4Å; K933-D937 VanDerWaalsContact CE-CG 3.49Å; K933-D937 WeakPolarHBondContact CE-OD1 3.29Å; K933-D937 WeakPolarHBondContact CE-OD2 3.47Å; K933-D937 VanDerWaalsContact NZ-CG 3.3Å; K933-D937 IonicContact NZ-OD1 2.86Å; K933-D937 PolarHBondContact NZ-OD1 2.85Å; K933-D937 IonicContact NZ-OD2 3.97Å; K933-D937 PolarHBondContact NZ-OD2 2.89Å; K933-D937 WeakPolarHBondContact O-CB 3.21Å; K933-D937 PolarHBondContact O-N 2.84Å; D937-P941 WeakPolarHBondContact O-CG 3.36Å
938Y97.3Very high95.4Very high4 Ų432.7 Ų32.72%0.01618%0.177CC..Iπ-helixtrans-124.1-32.6-169.6-47.7-57.1000115.1L841 K845 W848 E849 L853 Y857 I934L841-Y938 HydrophobicContact CD1-CE2 4.15Å; L841-Y938 VanDerWaalsContact CD1-OH 3.27Å; L841-Y938 WeakPolarHBondContact CD1-OH 3.29Å; L841-Y938 HydrophobicContact CD2-CE2 4.2Å; K845-Y938 WeakPolarHBondContact CE-OH 3.46Å; W848-Y938 HydrophobicContact CE3-CE2 4.18Å; W848-Y938 HydrophobicContact CH2-CE2 4.15Å; W848-Y938 HydrophobicContact CZ3-CD2 4.27Å; W848-Y938 AromaticContact CZ3-CE2 3.54Å; W848-Y938 HydrophobicContact CZ3-CE2 3.54Å; E849-Y938 HydrophobicContact CG-CE1 4.32Å; E849-Y938 VanDerWaalsContact CG-OH 3.24Å; E849-Y938 WeakPolarHBondContact CG-OH 3.3Å; E849-Y938 PolarHBondContact OE1-OH 3.07Å; L853-Y938 HydrophobicContact CD1-CD1 4.15Å; L853-Y938 HydrophobicContact CD1-CE1 3.8Å; L853-Y938 HydrophobicContact CD2-CD1 3.95Å; L853-Y938 HydrophobicContact CD2-CD2 4.14Å; L853-Y938 HydrophobicContact CD2-CE1 4.17Å; L853-Y938 HydrophobicContact CD2-CE2 4.34Å; L853-Y938 HydrophobicContact CD2-CG 3.95Å; L853-Y938 HydrophobicContact CG-CE1 4.45Å; Y857-Y938 HydrophobicContact CE1-CD1 4.01Å; Y857-Y938 VanDerWaalsContact OH-CA 3.3Å; Y857-Y938 WeakPolarHBondContact OH-CA 3.39Å; Y857-Y938 PolarHBondContact OH-O 3.24Å; I934-Y938 HydrophobicContact CB-CD2 4.25Å; I934-Y938 HydrophobicContact CG1-CD2 4.19Å; I934-Y938 HydrophobicContact CG1-CE2 4.27Å; I934-Y938 HydrophobicContact CG2-CD2 4.23Å; I934-Y938 WeakPolarHBondContact O-CB 3.41Å; I934-Y938 PolarHBondContact O-N 2.85Å
939V97.3Very high95.4Very high0 Ų031.8 Ų31.80%019%0.188CC..Iπ-helixtrans-83.9-49.1175.4174.70000111.2I879 I934 L935 V942 Q943 Y982 V984I879-V939 HydrophobicContact CD1-CG2 3.87Å; I934-V939 PolarHBondContact O-N 3.19Å; L935-V939 HydrophobicContact CD2-CB 4.1Å; L935-V939 HydrophobicContact CD2-CG1 4.43Å; L935-V939 HydrophobicContact CD2-CG2 3.72Å; L935-V939 PolarHBondContact O-N 3.34Å; V939-V942 PolarHBondContact O-N 3.46Å; V939-Q943 PolarHBondContact O-N 3.17Å; V939-Y982 HydrophobicContact CG1-CE2 4.09Å; V939-V984 HydrophobicContact CG1-CG2 3.73Å
940R96.8Very high95.4Very high35 Ų3532.5 Ų32.513%0.13218%0.177CC..Hα-helixtrans-54.5-43.2-176-178.1-173.155.762.617.7113.5L935 D936 V942 Q943 E944 S952 P955L935-R940 WeakPolarHBondContact O-CB 3.3Å; L935-R940 PolarHBondContact O-N 3.14Å; D936-R940 PolarHBondContact O-NE 3.16Å; D936-R940 PolarHBondContact O-NH2 2.8Å; D936-R940 IonicContact OD1-CZ 3.55Å; D936-R940 IonicContact OD1-NE 3.73Å; D936-R940 PolarHBondContact OD1-NE 3.22Å; D936-R940 IonicContact OD1-NH2 3.67Å; R940-V942 VanDerWaalsContact C-N 3.29Å; R940-V942 PolarHBondContact O-N 3.24Å; R940-Q943 WeakPolarHBondContact O-CB 3.36Å; R940-Q943 PolarHBondContact O-N 3.18Å; R940-E944 WeakPolarHBondContact CD-OE1 3.26Å; R940-E944 HydrophobicContact CG-CG 4.13Å; R940-E944 WeakPolarHBondContact CG-OE1 3.49Å; R940-E944 IonicContact CZ-OE1 3.57Å; R940-E944 IonicContact NE-OE1 3.86Å; R940-E944 IonicContact NH1-OE1 2.74Å; R940-E944 PolarHBondContact NH1-OE1 2.84Å; R940-E944 IonicContact NH1-OE2 2.69Å; R940-E944 WeakPolarHBondContact O-CG 3.42Å; R940-E944 PolarHBondContact O-N 2.83Å; R940-S952 WeakPolarHBondContact CD-O 3.43Å; R940-P955 HydrophobicContact CB-CG 4.4Å
941P95.9Very high95.3Very high34 Ų3438.9 Ų38.922%0.22120%0.201CC..Hα-helixtrans-60.3-38177.3-25.336.9000113.1L861 D937 K945L861-P941 HydrophobicContact CD2-CB 3.73Å; D937-P941 WeakPolarHBondContact O-CG 3.36Å; P941-K945 PolarHBondContact O-N 3.44Å
942V96.5Very high94.6Very high0 Ų039.8 Ų39.80%021%0.208CC..Hα-helixtrans-73.2-38.4176.3-171.50000111.1Y857 V860 L861 L867 F877 V939 R940 K945 A946 M1019Y857-V942 HydrophobicContact CE2-CG2 4.01Å; V860-V942 HydrophobicContact CG1-CG1 3.96Å; V860-V942 HydrophobicContact CG1-CG2 3.87Å; L861-V942 HydrophobicContact CD2-CG2 3.86Å; L867-V942 HydrophobicContact CD1-CG1 4.2Å; L867-V942 HydrophobicContact CD2-CG1 3.86Å; F877-V942 HydrophobicContact CD1-CG1 3.73Å; F877-V942 HydrophobicContact CD2-CB 4.46Å; F877-V942 HydrophobicContact CD2-CG1 4Å; F877-V942 HydrophobicContact CD2-CG2 4.14Å; F877-V942 HydrophobicContact CE1-CB 4.39Å; F877-V942 HydrophobicContact CE1-CG1 3.71Å; F877-V942 HydrophobicContact CE2-CB 4.07Å; F877-V942 HydrophobicContact CE2-CG1 3.96Å; F877-V942 HydrophobicContact CE2-CG2 3.91Å; F877-V942 HydrophobicContact CG-CG1 3.88Å; F877-V942 HydrophobicContact CZ-CB 4.03Å; F877-V942 HydrophobicContact CZ-CG1 3.82Å; F877-V942 HydrophobicContact CZ-CG2 4.38Å; V939-V942 PolarHBondContact O-N 3.46Å; R940-V942 VanDerWaalsContact C-N 3.29Å; R940-V942 PolarHBondContact O-N 3.24Å; V942-K945 PolarHBondContact O-N 3.3Å; V942-A946 WeakPolarHBondContact O-CB 3.45Å; V942-A946 PolarHBondContact O-N 3.43Å; V942-M1019 HydrophobicContact CG1-CE 4.28Å
943Q96Very high94.3Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-57.3-50.1172.1174.6-81.6-78.500111.8V939 R940 K945 A946 F947 Y950 Y982 M1019V939-Q943 PolarHBondContact O-N 3.17Å; R940-Q943 WeakPolarHBondContact O-CB 3.36Å; R940-Q943 PolarHBondContact O-N 3.18Å; Q943-K945 PolarHBondContact O-N 2.71Å; Q943-A946 PolarHBondContact O-N 3.11Å; Q943-F947 HydrophobicContact CG-CD2 4.2Å; Q943-F947 PolarHBondContact O-N 2.91Å; Q943-Y950 PolarHBondContact NE2-O 2.86Å; Q943-Y982 HydrophobicContact CB-CE2 4.34Å; Q943-Y982 HydrophobicContact CG-CD1 4.38Å; Q943-Y982 HydrophobicContact CG-CE1 3.84Å; Q943-Y982 HydrophobicContact CG-CE2 4.05Å; Q943-M1019 HydrophobicContact CB-CE 4.5Å; Q943-M1019 HydrophobicContact CB-SD 3.89Å; Q943-M1019 HydrophobicContact CG-SD 4.49Å
944E95Very high94Very high29 Ų2946 Ų4614%0.13624%0.236CC..Hα-helixtrans-65.1-28.1-177.4-72.6179.6-167.700111.7R940 Y951 R953R940-E944 WeakPolarHBondContact CD-OE1 3.26Å; R940-E944 HydrophobicContact CG-CG 4.13Å; R940-E944 WeakPolarHBondContact CG-OE1 3.49Å; R940-E944 IonicContact CZ-OE1 3.57Å; R940-E944 IonicContact NE-OE1 3.86Å; R940-E944 IonicContact NH1-OE1 2.74Å; R940-E944 PolarHBondContact NH1-OE1 2.84Å; R940-E944 IonicContact NH1-OE2 2.69Å; R940-E944 WeakPolarHBondContact O-CG 3.42Å; R940-E944 PolarHBondContact O-N 2.83Å; E944-Y951 HydrophobicContact CG-CD1 3.99Å; E944-Y951 HydrophobicContact CG-CE1 4.46Å; E944-R953 IonicContact OE1-CZ 2.83Å; E944-R953 IonicContact OE1-NE 3.16Å; E944-R953 PolarHBondContact OE1-NE 3.26Å; E944-R953 IonicContact OE1-NH2 2.6Å; E944-R953 PolarHBondContact OE1-NH2 3.15Å; E944-R953 IonicContact OE2-CZ 2.67Å; E944-R953 IonicContact OE2-NE 3.8Å; E944-R953 IonicContact OE2-NH2 3.46Å; E944-R953 PolarHBondContact OE2-NH2 3.46Å
945K93.3Very high93.7Very high58 Ų5846.1 Ų46.125%0.25224%0.238SC..Hα-helixtrans-77.1-41.1172.6-178.2175.6173.7-1760112.9V860 E862 Y865 P941 V942 Q943V860-K945 PolarHBondContact O-NZ 3.14Å; E862-K945 PolarHBondContact O-NZ 3.27Å; Y865-K945 WeakPolarHBondContact O-CE 3.38Å; Y865-K945 PolarHBondContact O-NZ 3.29Å; P941-K945 PolarHBondContact O-N 3.44Å; V942-K945 PolarHBondContact O-N 3.3Å; Q943-K945 PolarHBondContact O-N 2.71Å
946A93.4Very high93.5Very high11 Ų1153.2 Ų53.29%0.09127%0.268CS..Hα-helixtrans-71.5-48.4-179.700000112.3L867 Y875 V942 Q943 M1019L867-A946 HydrophobicContact CD1-CB 3.73Å; Y875-A946 HydrophobicContact CD1-CB 3.94Å; Y875-A946 HydrophobicContact CD2-CB 3.91Å; Y875-A946 HydrophobicContact CE1-CB 3.98Å; Y875-A946 HydrophobicContact CE2-CB 3.98Å; Y875-A946 HydrophobicContact CG-CB 3.89Å; Y875-A946 PolarHBondContact OH-O 3.02Å; V942-A946 WeakPolarHBondContact O-CB 3.45Å; V942-A946 PolarHBondContact O-N 3.43Å; Q943-A946 PolarHBondContact O-N 3.11Å; A946-M1019 HydrophobicContact CB-CE 3.48Å; A946-M1019 VanDerWaalsContact CB-CE 3.48Å
947F93.2Very high93.3Very high46 Ų4652 Ų5220%0.20226%0.262CS..SBendtrans-107.867-176.6-55.8-70.6000110.5Y875 Q943 G949 Y950 M1019 P1021Y875-F947 HydrophobicContact CD2-CE1 4.1Å; Y875-F947 HydrophobicContact CD2-CE2 4.39Å; Y875-F947 AromaticContact CD2-CZ 3.81Å; Y875-F947 HydrophobicContact CD2-CZ 3.81Å; Y875-F947 HydrophobicContact CE2-CD1 4.18Å; Y875-F947 AromaticContact CE2-CE1 3.58Å; Y875-F947 HydrophobicContact CE2-CE1 3.58Å; Y875-F947 AromaticContact CE2-CZ 3.79Å; Y875-F947 HydrophobicContact CE2-CZ 3.79Å; Q943-F947 HydrophobicContact CG-CD2 4.2Å; Q943-F947 PolarHBondContact O-N 2.91Å; F947-G949 PolarHBondContact O-N 3.09Å; F947-G949 VanDerWaalsContact O-N 3.15Å; F947-Y950 PolarHBondContact O-N 2.85Å; F947-M1019 HydrophobicContact CD2-CE 4.41Å; F947-M1019 HydrophobicContact CE2-CE 3.95Å; F947-M1019 HydrophobicContact CE2-CG 4.03Å; F947-M1019 HydrophobicContact CE2-SD 4.12Å; F947-P1021 HydrophobicContact CE1-CG 4.33Å
948T90.7Very high92.9Very high124 Ų12456.4 Ų56.476%0.76129%0.286SS*.THydrogen-bonded Turntrans-50.1119.4-179-52.20000111.7
949G92.9Very high92.5Very high54 Ų5458.5 Ų58.556%0.55730%0.296SS*.THydrogen-bonded Turntrans102.5-10.8-178.200000115.2F947F947-G949 PolarHBondContact O-N 3.09Å; F947-G949 VanDerWaalsContact O-N 3.15Å
950Y93.4Very high92.4Very high79 Ų7958.7 Ų58.731%0.3130%0.297SS..  trans-95.2124.9169.2-170.9-93.6000111Q943 F947 T981 Y982 D1046Q943-Y950 PolarHBondContact NE2-O 2.86Å; F947-Y950 PolarHBondContact O-N 2.85Å; Y950-T981 HydrophobicContact CE1-CG2 4.47Å; Y950-T981 HydrophobicContact CE2-CG2 3.87Å; Y950-Y982 HydrophobicContact CE1-CD1 4.42Å; Y950-Y982 HydrophobicContact CE1-CE1 4.27Å; Y950-D1046 VanDerWaalsContact OH-CB 3.27Å; Y950-D1046 WeakPolarHBondContact OH-CB 3.47Å; Y950-D1046 PolarHBondContact OH-OD2 3.24Å
951Y92.4Very high92.4Very high147 Ų14757.3 Ų57.358%0.57629%0.292SS*.  trans-135.8117.2-176.5-55.9-76000111.1E944E944-Y951 HydrophobicContact CG-CD1 3.99Å; E944-Y951 HydrophobicContact CG-CE1 4.46Å
952S83.4Confident92.5Very high22 Ų2255.7 Ų55.715%0.15428%0.281CS..  trans-128.8119.4172.7-170.50000109.7R940 D1046R940-S952 WeakPolarHBondContact CD-O 3.43Å; S952-D1046 WeakPolarHBondContact CB-OD2 3.25Å; S952-D1046 VanDerWaalsContact OG-CG 3.23Å; S952-D1046 PolarHBondContact OG-OD1 3.1Å; S952-D1046 PolarHBondContact OG-OD2 2.82Å
953R90.1Very high92.5Very high169 Ų16955.7 Ų55.764%0.63828%0.282SS*.SBendtrans-141.5111.5-170.1-75.7-179.1-177.1-161.52.5112.4E944E944-R953 IonicContact OE1-CZ 2.83Å; E944-R953 IonicContact OE1-NE 3.16Å; E944-R953 PolarHBondContact OE1-NE 3.26Å; E944-R953 IonicContact OE1-NH2 2.6Å; E944-R953 PolarHBondContact OE1-NH2 3.15Å; E944-R953 IonicContact OE2-CZ 2.67Å; E944-R953 IonicContact OE2-NE 3.8Å; E944-R953 IonicContact OE2-NH2 3.46Å; E944-R953 PolarHBondContact OE2-NH2 3.46Å
954P89Confident92.5Very high85 Ų8556.4 Ų56.455%0.55228%0.284SS*.SBendcis-66.5156-16.831.9-35.6000110.9D936D936-P954 HydrophobicContact CB-CB 4.36Å
955P90.8Very high92.6Very high7 Ų755.3 Ų55.35%0.04528%0.279CS..  trans-65.5150.1173.130.9-34.2000110.2L935 D936 R940 V1045L935-P955 HydrophobicContact CB-CG 3.96Å; D936-P955 HydrophobicContact CB-CG 4.33Å; R940-P955 HydrophobicContact CB-CG 4.4Å; P955-V1045 HydrophobicContact CB-CG1 3.72Å
956K93.3Very high92.7Very high148 Ų14854.1 Ų54.164%0.64327%0.274SS*.  trans-110.1131.8178.1-63.7177-174.4171.30110.2V1045 D1046 P1047K956-V1045 CarbonylContact O-C 3.59Å; K956-V1045 WeakPolarHBondContact O-CA 3.43Å; K956-D1046 PolarHBondContact N-OD1 3.13Å; K956-D1046 WeakPolarHBondContact O-CA 3.42Å; K956-D1046 PolarHBondContact O-N 2.89Å; K956-P1047 VanDerWaalsContact O-CD 3.3Å; K956-P1047 WeakPolarHBondContact O-CD 3.32Å
957A92.9Very high92.7Very high6 Ų656.1 Ų56.15%0.0529%0.286CS..EExtended strand (participates in β ladder)trans-140.6119.4171.500000109.8L932 L935 N960 F1044 V1045L932-A957 HydrophobicContact CD2-CB 4.26Å; L935-A957 HydrophobicContact CD1-CB 3.52Å; A957-N960 WeakPolarHBondContact CB-OD1 3.46Å; A957-N960 PolarHBondContact O-ND2 2.9Å; A957-F1044 WeakPolarHBondContact CA-O 3.39Å; A957-F1044 WeakPolarHBondContact CB-O 3.44Å; A957-V1045 HydrophobicContact CB-CG2 4.38Å
958L86.5Confident92.7Very high127 Ų12760.5 Ų60.567%0.66531%0.307SS*.EExtended strand (participates in β ladder)trans-90.4-29.4178-65.1175.4000112.1P1047L958-P1047 HydrophobicContact CD1-CG 4.26Å; L958-P1047 HydrophobicContact CG-CG 4.29Å
959M88.9Confident92.7Very high48 Ų4857.7 Ų57.724%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-109.2101.7178.4-53-70.4-83.100108L908 F961 S1043 F1044L908-M959 HydrophobicContact CD1-CE 4.33Å; L908-M959 HydrophobicContact CD2-CE 4.3Å; M959-F961 HydrophobicContact CB-CD1 3.97Å; M959-F961 HydrophobicContact CB-CE1 3.75Å; M959-S1043 WeakPolarHBondContact O-CA 3.36Å; M959-F1044 HydrophobicContact CB-CB 4.13Å; M959-F1044 HydrophobicContact CB-CD2 3.75Å; M959-F1044 HydrophobicContact CB-CG 4.17Å; M959-F1044 HydrophobicContact CG-CD2 4.02Å; M959-F1044 PolarHBondContact O-N 2.93Å
960N95.7Very high92.7Very high4 Ų456.8 Ų56.82%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-127.4110.5174.7-52.5-76.2000107.2H921 M922 W931 A957 M1041 V1042 S1043H921-N960 CarbonylContact C-O 3.55Å; H921-N960 WeakPolarHBondContact CA-O 3.35Å; M922-N960 HydrophobicContact CB-CB 4.23Å; M922-N960 HydrophobicContact CG-CB 3.71Å; M922-N960 WeakPolarHBondContact CG-O 3.45Å; M922-N960 PolarHBondContact N-O 2.88Å; W931-N960 VanDerWaalsContact CD1-CB 3.49Å; W931-N960 VanDerWaalsContact CD1-CG 3.42Å; W931-N960 VanDerWaalsContact CD1-OD1 3.25Å; W931-N960 HydrophobicContact CG-CB 4.36Å; W931-N960 PolarHBondContact NE1-OD1 2.89Å; A957-N960 WeakPolarHBondContact CB-OD1 3.46Å; A957-N960 PolarHBondContact O-ND2 2.9Å; N960-M1041 HydrophobicContact CB-CE 3.95Å; N960-V1042 WeakPolarHBondContact CA-O 3Å; N960-S1043 PolarHBondContact OD1-OG 2.85Å
961F96.5Very high92.8Very high5 Ų553.7 Ų53.72%0.02226%0.257CS..EExtended strand (participates in β ladder)trans-153.6143.4-166.156.2-79.1000112.8D919 I920 H921 M959 V963 V1042 F1044D919-F961 HydrophobicContact CB-CB 4.39Å; D919-F961 HydrophobicContact CB-CD2 3.97Å; I920-F961 CarbonylContact O-C 3.57Å; I920-F961 VanDerWaalsContact O-CA 3.29Å; I920-F961 WeakPolarHBondContact O-CA 3.31Å; H921-F961 HydrophobicContact CB-CB 4.48Å; H921-F961 AromaticContact CE1-CD1 3.91Å; H921-F961 AromaticContact NE2-CG 3.92Å; M959-F961 HydrophobicContact CB-CD1 3.97Å; M959-F961 HydrophobicContact CB-CE1 3.75Å; F961-V963 HydrophobicContact CD2-CG2 3.55Å; F961-V963 HydrophobicContact CE2-CG2 3.51Å; F961-V1042 HydrophobicContact CD2-CB 4.4Å; F961-V1042 HydrophobicContact CE1-CB 4.21Å; F961-V1042 HydrophobicContact CE1-CG1 4.09Å; F961-V1042 HydrophobicContact CE2-CB 3.99Å; F961-V1042 HydrophobicContact CE2-CG1 4.29Å; F961-V1042 HydrophobicContact CE2-CG2 4.45Å; F961-V1042 HydrophobicContact CZ-CB 3.88Å; F961-V1042 HydrophobicContact CZ-CG1 3.73Å; F961-V1042 PolarHBondContact N-O 2.97Å; F961-V1042 PolarHBondContact O-N 3.25Å; F961-F1044 HydrophobicContact CE1-CD2 4.43Å; F961-F1044 HydrophobicContact CE1-CE1 4.48Å; F961-F1044 HydrophobicContact CE1-CE2 4.26Å; F961-F1044 HydrophobicContact CE1-CZ 4.29Å; F961-F1044 HydrophobicContact CZ-CE1 4.25Å; F961-F1044 HydrophobicContact CZ-CE2 4.23Å; F961-F1044 AromaticContact CZ-CZ 3.93Å; F961-F1044 HydrophobicContact CZ-CZ 3.93Å
962V98Very high92.9Very high0 Ų049.5 Ų49.50%025%0.249CC..EExtended strand (participates in β ladder)trans-89.6127.1170.1173.40000108.4L888 M892 W898 D919 I920 M922 L988 Y1039 I1040 M1041L888-V962 HydrophobicContact CD2-CG2 3.96Å; L888-V962 HydrophobicContact CG-CG2 4.2Å; M892-V962 HydrophobicContact CE-CG2 4.1Å; M892-V962 HydrophobicContact CG-CB 3.9Å; M892-V962 HydrophobicContact CG-CG1 4.08Å; M892-V962 HydrophobicContact CG-CG2 3.92Å; M892-V962 HydrophobicContact SD-CB 4.3Å; M892-V962 HydrophobicContact SD-CG2 4.22Å; W898-V962 HydrophobicContact CH2-CG1 3.99Å; W898-V962 HydrophobicContact CZ3-CG1 4.28Å; D919-V962 WeakPolarHBondContact CA-O 2.98Å; D919-V962 WeakPolarHBondContact CB-O 3.41Å; I920-V962 PolarHBondContact N-O 2.7Å; I920-V962 PolarHBondContact O-N 3.09Å; M922-V962 HydrophobicContact CE-CG2 3.83Å; V962-L988 HydrophobicContact CG1-CD1 3.9Å; V962-L988 HydrophobicContact CG2-CD1 3.97Å; V962-Y1039 HydrophobicContact CG1-CD1 4.36Å; V962-I1040 CarbonylContact C-O 3.52Å; V962-I1040 VanDerWaalsContact CA-O 3.26Å; V962-I1040 WeakPolarHBondContact CA-O 3.18Å; V962-M1041 HydrophobicContact CG2-CB 4.3Å; V962-M1041 HydrophobicContact CG2-SD 3.56Å; V962-M1041 VanDerWaalsContact CG2-SD 3.56Å
963V96.8Very high93.4Very high1 Ų149.3 Ų49.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-100.2140.7173.4-1750000109.8T917 D919 F961 Y965 Y1039 I1040 V1042T917-V963 HydrophobicContact CG2-CG1 3.92Å; T917-V963 HydrophobicContact CG2-CG2 4.03Å; D919-V963 HydrophobicContact CB-CG2 4.39Å; F961-V963 HydrophobicContact CD2-CG2 3.55Å; F961-V963 HydrophobicContact CE2-CG2 3.51Å; V963-Y965 HydrophobicContact CB-CE2 4.2Å; V963-Y965 HydrophobicContact CG1-CD2 4.03Å; V963-Y965 HydrophobicContact CG1-CE1 4.14Å; V963-Y965 HydrophobicContact CG1-CE2 3.52Å; V963-Y1039 WeakPolarHBondContact O-CA 3.45Å; V963-I1040 HydrophobicContact CB-CD1 4.36Å; V963-I1040 HydrophobicContact CB-CG1 3.84Å; V963-I1040 HydrophobicContact CG2-CG1 4.4Å; V963-I1040 PolarHBondContact N-O 2.99Å; V963-I1040 PolarHBondContact O-N 3.32Å; V963-I1040 VanDerWaalsContact O-N 3.08Å; V963-V1042 HydrophobicContact CG2-CG2 4.16Å
964R97.1Very high93.5Very high14 Ų1448 Ų485%0.05324%0.242CC..EExtended strand (participates in β ladder)trans-117.4114.8173.6-175.1178.182.5-172-6.9110.6E893 W898 R918 K966 E969 T1037 Y1039E893-R964 VanDerWaalsContact OE1-CD 3.29Å; E893-R964 WeakPolarHBondContact OE1-CD 3.4Å; E893-R964 IonicContact OE1-CZ 2.67Å; E893-R964 IonicContact OE1-NE 3.41Å; E893-R964 IonicContact OE1-NH1 3.55Å; E893-R964 PolarHBondContact OE1-NH1 2.99Å; E893-R964 IonicContact OE2-NH1 3.22Å; E893-R964 PolarHBondContact OE2-NH1 3.2Å; E893-R964 VanDerWaalsContact OE2-NH1 3.17Å; W898-R964 HydrophobicContact CD2-CB 4.49Å; W898-R964 HydrophobicContact CE3-CB 3.9Å; W898-R964 HydrophobicContact CH2-CB 3.83Å; W898-R964 HydrophobicContact CZ2-CB 4.4Å; W898-R964 HydrophobicContact CZ3-CB 3.55Å; R918-R964 PolarHBondContact O-N 3.21Å; R964-K966 HydrophobicContact CG-CG 4.4Å; R964-E969 IonicContact CZ-OE1 3.77Å; R964-E969 IonicContact CZ-OE2 2.71Å; R964-E969 IonicContact NE-OE2 3.17Å; R964-E969 PolarHBondContact NE-OE2 2.89Å; R964-E969 IonicContact NH2-OE1 3.45Å; R964-E969 PolarHBondContact NH2-OE1 3.15Å; R964-E969 IonicContact NH2-OE2 3.37Å; R964-E969 PolarHBondContact NH2-OE2 3.23Å; R964-T1037 HydrophobicContact CG-CG2 3.55Å; R964-Y1039 HydrophobicContact CB-CD1 3.98Å; R964-Y1039 HydrophobicContact CB-CE1 3.89Å; R964-Y1039 VanDerWaalsContact CD-CE1 3.43Å; R964-Y1039 HydrophobicContact CG-CD1 3.93Å; R964-Y1039 HydrophobicContact CG-CE1 3.47Å; R964-Y1039 VanDerWaalsContact CG-CE1 3.47Å
965Y96.4Very high93.8Very high6 Ų647 Ų472%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-98.5132.1170.9-59.9-82.9000111.2V963 Q970 L973 T1037 R1038 I1040V963-Y965 HydrophobicContact CB-CE2 4.2Å; V963-Y965 HydrophobicContact CG1-CD2 4.03Å; V963-Y965 HydrophobicContact CG1-CE1 4.14Å; V963-Y965 HydrophobicContact CG1-CE2 3.52Å; Y965-Q970 VanDerWaalsContact CA-O 3.22Å; Y965-Q970 WeakPolarHBondContact CA-O 3.33Å; Y965-Q970 WeakPolarHBondContact CD1-O 3.45Å; Y965-L973 HydrophobicContact CE1-CB 4.15Å; Y965-L973 WeakPolarHBondContact OH-CD2 3.21Å; Y965-T1037 WeakPolarHBondContact O-CA 3.22Å; Y965-R1038 HydrophobicContact CD2-CG 4.48Å; Y965-R1038 PolarHBondContact N-O 3.03Å; Y965-R1038 PolarHBondContact O-N 2.85Å; Y965-I1040 HydrophobicContact CE2-CD1 3.81Å; Y965-I1040 HydrophobicContact CE2-CG1 4.17Å
966K95.3Very high93.9Very high34 Ų3447.6 Ų47.615%0.14824%0.237CC..  trans-141.8142.1175.9-75.5176.1171.5178.50110.3R964 E968 E969 Q970 A971 T1037R964-K966 HydrophobicContact CG-CG 4.4Å; K966-E968 VanDerWaalsContact C-N 3.25Å; K966-E968 WeakPolarHBondContact CD-OE1 3.29Å; K966-E968 PolarHBondContact O-N 3.3Å; K966-E969 HydrophobicContact CB-CB 4.02Å; K966-E969 HydrophobicContact CB-CG 3.98Å; K966-E969 HydrophobicContact CD-CG 4.06Å; K966-E969 IonicContact NZ-OE1 3.94Å; K966-E969 PolarHBondContact O-N 2.67Å; K966-E969 VanDerWaalsContact O-N 3.13Å; K966-Q970 PolarHBondContact N-O 2.89Å; K966-Q970 CarbonylContact O-C 3.28Å; K966-Q970 VanDerWaalsContact O-C 3.28Å; K966-Q970 PolarHBondContact O-N 2.94Å; K966-A971 WeakPolarHBondContact O-CA 3.32Å; K966-A971 PolarHBondContact O-N 2.59Å; K966-T1037 HydrophobicContact CD-CG2 4.25Å; K966-T1037 WeakPolarHBondContact CE-OG1 3.27Å; K966-T1037 HydrophobicContact CG-CG2 3.73Å; K966-T1037 WeakPolarHBondContact CG-OG1 3.47Å
967P94.1Very high93.9Very high52 Ų5243.9 Ų43.934%0.33822%0.222SC..THydrogen-bonded Turntrans-53.6-39.2179.1-26.934.9000114.2G1036P967-G1036 VanDerWaalsContact CD-O 3.32Å; P967-G1036 WeakPolarHBondContact CD-O 3.23Å
968E92.7Very high93.8Very high138 Ų13843.9 Ų43.965%0.64522%0.221SC*.THydrogen-bonded Turntrans-88.8-1.8-177.470-76.317800114.8K966K966-E968 VanDerWaalsContact C-N 3.25Å; K966-E968 WeakPolarHBondContact CD-OE1 3.29Å; K966-E968 PolarHBondContact O-N 3.3Å
969E91.2Very high94Very high65 Ų6540.4 Ų40.430%0.30421%0.21SC..SBendtrans-118.8-101.6179.3-56.8-170.8162.400110.5R918 R964 K966R918-E969 WeakPolarHBondContact CD-OE2 3.45Å; R918-E969 IonicContact CZ-OE1 2.85Å; R918-E969 IonicContact CZ-OE2 3.04Å; R918-E969 IonicContact NE-OE2 3.62Å; R918-E969 IonicContact NH1-OE1 3.77Å; R918-E969 PolarHBondContact NH1-OE1 3.17Å; R918-E969 IonicContact NH1-OE2 2.78Å; R918-E969 PolarHBondContact NH1-OE2 2.92Å; R964-E969 IonicContact CZ-OE1 3.77Å; R964-E969 IonicContact CZ-OE2 2.71Å; R964-E969 IonicContact NE-OE2 3.17Å; R964-E969 PolarHBondContact NE-OE2 2.89Å; R964-E969 IonicContact NH2-OE1 3.45Å; R964-E969 PolarHBondContact NH2-OE1 3.15Å; R964-E969 IonicContact NH2-OE2 3.37Å; R964-E969 PolarHBondContact NH2-OE2 3.23Å; K966-E969 HydrophobicContact CB-CB 4.02Å; K966-E969 HydrophobicContact CB-CG 3.98Å; K966-E969 HydrophobicContact CD-CG 4.06Å; K966-E969 IonicContact NZ-OE1 3.94Å; K966-E969 PolarHBondContact O-N 2.67Å; K966-E969 VanDerWaalsContact O-N 3.13Å
970Q93.4Very high94.3Very high35 Ų3538.1 Ų38.116%0.16420%0.199CC..  trans-115.6109.2169.9179.9171.22.500106.9P916 T917 R918 Y965 K966 S972P916-Q970 PolarHBondContact O-NE2 2.86Å; T917-Q970 VanDerWaalsContact C-OE1 3.32Å; R918-Q970 HydrophobicContact CB-CB 4.28Å; Y965-Q970 VanDerWaalsContact CA-O 3.22Å; Y965-Q970 WeakPolarHBondContact CA-O 3.33Å; Y965-Q970 WeakPolarHBondContact CD1-O 3.45Å; K966-Q970 PolarHBondContact N-O 2.89Å; K966-Q970 CarbonylContact O-C 3.28Å; K966-Q970 VanDerWaalsContact O-C 3.28Å; K966-Q970 PolarHBondContact O-N 2.94Å; Q970-S972 WeakPolarHBondContact CG-O 3.39Å
971A94.2Very high94.3Very high15 Ų1540.6 Ų40.612%0.12422%0.215CC..  trans-91.3-18.2-172.900000113.7K966 Q1032 T1033K966-A971 WeakPolarHBondContact O-CA 3.32Å; K966-A971 PolarHBondContact O-N 2.59Å; A971-Q1032 HydrophobicContact CB-CG 3.93Å; A971-Q1032 CarbonylContact O-C 3.55Å; A971-Q1032 VanDerWaalsContact O-CA 3.31Å; A971-Q1032 WeakPolarHBondContact O-CA 3.45Å; A971-T1033 PolarHBondContact O-N 2.7Å
972S94.8Very high94.3Very high58 Ų5840.6 Ų40.641%0.40621%0.214SC..  trans-151171.4-172.5600000112Q970 G1030Q970-S972 WeakPolarHBondContact CG-O 3.39Å; S972-G1030 WeakPolarHBondContact CA-O 3.47Å; S972-G1030 WeakPolarHBondContact CB-O 3.45Å
973L94.2Very high94.2Very high18 Ų1840.7 Ų40.79%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-133.1124.3173.9-162.961.8000110.2V915 T917 Y965 H976 E1029 G1030V915-L973 HydrophobicContact CG1-CD1 3.8Å; V915-L973 HydrophobicContact CG1-CG 4.09Å; T917-L973 HydrophobicContact CG2-CD1 3.72Å; T917-L973 HydrophobicContact CG2-CD2 3.66Å; T917-L973 HydrophobicContact CG2-CG 4.33Å; Y965-L973 HydrophobicContact CE1-CB 4.15Å; Y965-L973 WeakPolarHBondContact OH-CD2 3.21Å; L973-H976 WeakPolarHBondContact CD2-CE1 3.14Å; L973-E1029 CarbonylContact O-C 3.54Å; L973-E1029 WeakPolarHBondContact O-CA 3.3Å; L973-G1030 PolarHBondContact N-O 2.85Å; L973-G1030 PolarHBondContact O-N 3.26Å
974R92.8Very high94.3Very high143 Ų14340.7 Ų40.754%0.5422%0.215SC..EExtended strand (participates in β ladder)trans-60.1158.1-176.765.2-177.4-177.9140.1-1.4112.9N914 V915 H976N914-R974 PolarHBondContact O-NH2 3.01Å; V915-R974 HydrophobicContact CG1-CG 4.17Å; R974-H976 PolarHBondContact O-N 2.91Å; R974-H976 PolarHBondContact O-ND1 3.12Å
975P93.6Very high94.3Very high63 Ų6340.7 Ų40.741%0.40922%0.216SC..EExtended strand (participates in β ladder)trans-49.3125.1171.4-29.534.3000113.5V1003 M1027 H1028 E1029P975-V1003 HydrophobicContact CB-CG2 4.31Å; P975-V1003 HydrophobicContact CG-CG2 4.42Å; P975-M1027 HydrophobicContact CB-CG 4.38Å; P975-M1027 HydrophobicContact CB-SD 4.38Å; P975-H1028 CarbonylContact C-O 3.52Å; P975-H1028 VanDerWaalsContact CA-O 3.3Å; P975-H1028 WeakPolarHBondContact CA-O 3.33Å; P975-E1029 HydrophobicContact CG-CB 3.98Å; P975-E1029 WeakPolarHBondContact CG-OE2 3.43Å
976H94.1Very high94.3Very high19 Ų1940.4 Ų40.49%0.08822%0.215CC..EExtended strand (participates in β ladder)trans-154.6179.4-178.665-66.6000113.3V915 L973 R974 D978 M1027 H1028V915-H976 HydrophobicContact CB-CB 4.41Å; V915-H976 HydrophobicContact CG1-CB 3.99Å; V915-H976 HydrophobicContact CG2-CB 3.75Å; L973-H976 WeakPolarHBondContact CD2-CE1 3.14Å; R974-H976 PolarHBondContact O-N 2.91Å; R974-H976 PolarHBondContact O-ND1 3.12Å; H976-D978 IonicContact CD2-OD1 3.84Å; H976-D978 IonicContact NE2-OD1 2.72Å; H976-M1027 VanDerWaalsContact O-CA 3.27Å; H976-M1027 WeakPolarHBondContact O-CA 3.43Å; H976-H1028 AromaticContact CE1-CD2 3.9Å; H976-H1028 AromaticContact CE1-CE1 3.95Å; H976-H1028 AromaticContact CE1-NE2 3.4Å; H976-H1028 PolarHBondContact CE1-NE2 2.9Å; H976-H1028 PolarHBondContact N-O 3.33Å; H976-H1028 PolarHBondContact ND1-O 3.49Å; H976-H1028 AromaticContact NE2-CE1 3.8Å; H976-H1028 AromaticContact NE2-NE2 3.5Å; H976-H1028 PolarHBondContact O-N 3.27Å
977H92.3Very high94.4Very high70 Ų7039 Ų3932%0.32421%0.21SC..  trans-123.1151.9167.7-78.9-65.2000109.2G1022 L1024 M1027H977-G1022 PolarHBondContact ND1-O 3.11Å; H977-L1024 VanDerWaalsContact CE1-C 3.43Å; H977-L1024 PolarHBondContact CE1-O 2.99Å; H977-M1027 PolarHBondContact CE1-N 2.92Å
978D92.4Very high94.6Very high7 Ų736.6 Ų36.64%0.03719%0.194CC..  trans-88.1155.1178.5-57.2-36.1000111.8H976 S980 T983 H1020 G1022 R1023 H1028 F1044H976-D978 IonicContact CD2-OD1 3.84Å; H976-D978 IonicContact NE2-OD1 2.72Å; D978-S980 WeakPolarHBondContact CB-OG 3.32Å; D978-S980 PolarHBondContact O-N 2.87Å; D978-T983 WeakPolarHBondContact CB-OG1 3.33Å; D978-T983 VanDerWaalsContact CG-OG1 3.23Å; D978-T983 VanDerWaalsContact OD2-CB 3.25Å; D978-T983 WeakPolarHBondContact OD2-CB 3.44Å; D978-T983 WeakPolarHBondContact OD2-CG2 3.21Å; D978-T983 PolarHBondContact OD2-OG1 3.2Å; D978-H1020 IonicContact OD2-CE1 3.61Å; D978-H1020 PolarHBondContact OD2-CE1 2.74Å; D978-G1022 PolarHBondContact N-O 3.35Å; D978-G1022 VanDerWaalsContact N-O 3.08Å; D978-R1023 WeakPolarHBondContact O-CG 3.37Å; D978-H1028 IonicContact OD1-CE1 2.74Å; D978-H1028 PolarHBondContact OD1-CE1 2.86Å; D978-H1028 IonicContact OD1-NE2 2.62Å; D978-H1028 IonicContact OD2-CE1 2.85Å; D978-H1028 PolarHBondContact OD2-CE1 3.17Å; D978-F1044 HydrophobicContact CB-CD1 3.87Å; D978-F1044 HydrophobicContact CB-CE1 3.63Å; D978-F1044 HydrophobicContact CB-CE2 4.4Å; D978-F1044 HydrophobicContact CB-CG 4.36Å; D978-F1044 HydrophobicContact CB-CZ 3.92Å; D978-F1044 VanDerWaalsContact OD1-CE1 3.29Å; D978-F1044 WeakPolarHBondContact OD1-CE1 3.39Å; D978-F1044 WeakPolarHBondContact OD1-CZ 3.21Å
979A90.6Very high94.8Very high53 Ų5330.7 Ų30.744%0.43817%0.167SC..SBendtrans-82.746.8171.800000111.5R1023 F1044 P1047A979-R1023 PolarHBondContact O-NH2 3Å; A979-F1044 HydrophobicContact CB-CD2 4.45Å; A979-P1047 WeakPolarHBondContact O-CA 3.47Å; A979-P1047 WeakPolarHBondContact O-CB 3.49Å
980S93.9Very high95Very high0 Ų033.3 Ų33.30%017%0.174CC..SBendtrans-134.4161.8-174.5660000112.3D978 Y982 T983 G1022 R1023 V1045D978-S980 WeakPolarHBondContact CB-OG 3.32Å; D978-S980 PolarHBondContact O-N 2.87Å; S980-Y982 VanDerWaalsContact CB-O 3.3Å; S980-Y982 WeakPolarHBondContact CB-O 3.4Å; S980-Y982 PolarHBondContact OG-O 3.08Å; S980-T983 PolarHBondContact OG-OG1 2.92Å; S980-G1022 WeakPolarHBondContact OG-CA 3.41Å; S980-R1023 VanDerWaalsContact O-CD 3.22Å; S980-R1023 WeakPolarHBondContact O-CD 3.28Å; S980-R1023 VanDerWaalsContact O-CG 3.25Å; S980-R1023 WeakPolarHBondContact O-CG 3.32Å; S980-V1045 WeakPolarHBondContact CB-O 3.38Å
981T95.4Very high95Very high56 Ų5633 Ų3334%0.34418%0.177SC..SBendtrans-73.7-47.6160.9-630000109.1Y950 P1021 G1022 V1045 D1046Y950-T981 HydrophobicContact CE1-CG2 4.47Å; Y950-T981 HydrophobicContact CE2-CG2 3.87Å; T981-P1021 WeakPolarHBondContact O-CA 3.44Å; T981-G1022 PolarHBondContact O-N 3.32Å; T981-V1045 PolarHBondContact N-O 3.08Å; T981-D1046 WeakPolarHBondContact CB-O 3.34Å; T981-D1046 PolarHBondContact N-O 2.71Å; T981-D1046 PolarHBondContact OG1-O 2.73Å
982Y96.6Very high94.9Very high5 Ų535.4 Ų35.42%0.0220%0.203CC..EExtended strand (participates in β ladder)trans-137.9148.3170.871.7-82.8000111.1V939 Q943 Y950 S980 V984 M1019 H1020 V1045V939-Y982 HydrophobicContact CG1-CE2 4.09Å; Q943-Y982 HydrophobicContact CB-CE2 4.34Å; Q943-Y982 HydrophobicContact CG-CD1 4.38Å; Q943-Y982 HydrophobicContact CG-CE1 3.84Å; Q943-Y982 HydrophobicContact CG-CE2 4.05Å; Y950-Y982 HydrophobicContact CE1-CD1 4.42Å; Y950-Y982 HydrophobicContact CE1-CE1 4.27Å; S980-Y982 VanDerWaalsContact CB-O 3.3Å; S980-Y982 WeakPolarHBondContact CB-O 3.4Å; S980-Y982 PolarHBondContact OG-O 3.08Å; Y982-V984 HydrophobicContact CD2-CG2 4.14Å; Y982-V984 HydrophobicContact CE2-CG2 3.93Å; Y982-M1019 HydrophobicContact CD2-CG 3.92Å; Y982-M1019 HydrophobicContact CD2-SD 4.12Å; Y982-M1019 HydrophobicContact CE2-CG 4.43Å; Y982-M1019 HydrophobicContact CE2-SD 4.12Å; Y982-H1020 CarbonylContact C-O 3.28Å; Y982-H1020 VanDerWaalsContact CA-O 3.25Å; Y982-H1020 WeakPolarHBondContact CA-O 3.35Å; Y982-H1020 WeakPolarHBondContact CB-O 3.36Å; Y982-V1045 HydrophobicContact CD1-CB 4.17Å; Y982-V1045 HydrophobicContact CD2-CB 4.22Å; Y982-V1045 HydrophobicContact CD2-CG2 4.44Å; Y982-V1045 HydrophobicContact CE1-CB 3.73Å; Y982-V1045 HydrophobicContact CE1-CG1 3.66Å; Y982-V1045 HydrophobicContact CE2-CB 3.81Å; Y982-V1045 HydrophobicContact CE2-CG1 4.17Å; Y982-V1045 HydrophobicContact CE2-CG2 3.93Å; Y982-V1045 HydrophobicContact CG-CB 4.4Å; Y982-V1045 VanDerWaalsContact CZ-CG1 3.45Å; Y982-V1045 PolarHBondContact N-O 3.37Å; Y982-V1045 WeakPolarHBondContact O-CA 3.46Å; Y982-V1045 WeakPolarHBondContact O-CB 3.4Å; Y982-V1045 PolarHBondContact O-N 2.79Å; Y982-V1045 WeakPolarHBondContact OH-CG1 3.25Å
983T97.4Very high94.9Very high3 Ų338.5 Ų38.52%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-109.8146.8177.7-63.90000109.6D978 S980 M1019 H1020 V1042 S1043 F1044D978-T983 WeakPolarHBondContact CB-OG1 3.33Å; D978-T983 VanDerWaalsContact CG-OG1 3.23Å; D978-T983 VanDerWaalsContact OD2-CB 3.25Å; D978-T983 WeakPolarHBondContact OD2-CB 3.44Å; D978-T983 WeakPolarHBondContact OD2-CG2 3.21Å; D978-T983 PolarHBondContact OD2-OG1 3.2Å; S980-T983 PolarHBondContact OG-OG1 2.92Å; T983-M1019 WeakPolarHBondContact O-CA 3.36Å; T983-H1020 PolarHBondContact N-O 3.36Å; T983-H1020 PolarHBondContact O-N 2.99Å; T983-H1020 VanDerWaalsContact O-N 3.12Å; T983-V1042 HydrophobicContact CG2-CG1 4.04Å; T983-S1043 WeakPolarHBondContact CA-O 3.31Å; T983-F1044 HydrophobicContact CG2-CD1 3.94Å; T983-F1044 HydrophobicContact CG2-CE1 4.03Å
984V97.5Very high95Very high1 Ų140.9 Ų40.91%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-118.2126169.5-171.30000108V939 Y982 I986 A1017 L1018 M1019 V1042 S1043 V1045V939-V984 HydrophobicContact CG1-CG2 3.73Å; Y982-V984 HydrophobicContact CD2-CG2 4.14Å; Y982-V984 HydrophobicContact CE2-CG2 3.93Å; V984-I986 HydrophobicContact CG1-CD1 3.96Å; V984-I986 HydrophobicContact CG1-CG1 3.8Å; V984-A1017 HydrophobicContact CG1-CB 4.07Å; V984-L1018 WeakPolarHBondContact CA-O 3.41Å; V984-M1019 HydrophobicContact CG2-CG 4.39Å; V984-V1042 CarbonylContact O-C 3.58Å; V984-V1042 VanDerWaalsContact O-CA 3.32Å; V984-V1042 WeakPolarHBondContact O-CA 3.34Å; V984-S1043 PolarHBondContact N-O 2.84Å; V984-S1043 PolarHBondContact O-N 2.86Å; V984-V1045 HydrophobicContact CG2-CG2 4.29Å
985D96.6Very high95.1Very high13 Ų1334.5 Ų34.57%0.0720%0.203CC..EExtended strand (participates in β ladder)trans-122.9120.4176.917412.3000108.7V1000 A1017 L1018 R1038 I1040D985-V1000 WeakPolarHBondContact OD2-CG2 3.42Å; D985-A1017 CarbonylContact O-C 3.53Å; D985-A1017 WeakPolarHBondContact O-CA 3.39Å; D985-L1018 HydrophobicContact CB-CB 4.47Å; D985-L1018 PolarHBondContact N-O 2.68Å; D985-L1018 PolarHBondContact O-N 3.03Å; D985-R1038 IonicContact OD2-NH2 3.4Å; D985-I1040 VanDerWaalsContact OD1-CB 3.27Å; D985-I1040 WeakPolarHBondContact OD1-CB 3.11Å; D985-I1040 WeakPolarHBondContact OD1-CD1 3.29Å; D985-I1040 WeakPolarHBondContact OD1-CG2 3.37Å
986I97.8Very high95.2Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-121.7125.1-170.5-49.6-177.7000110.4I879 F880 W931 V984 L988 W1016 A1017 I1040 M1041I879-I986 HydrophobicContact CG2-CD1 4.14Å; I879-I986 HydrophobicContact CG2-CG2 4.18Å; F880-I986 HydrophobicContact CD2-CD1 4.22Å; F880-I986 HydrophobicContact CD2-CG2 4.1Å; F880-I986 HydrophobicContact CE2-CD1 3.62Å; W931-I986 HydrophobicContact CH2-CD1 3.97Å; W931-I986 HydrophobicContact CZ2-CD1 4.39Å; V984-I986 HydrophobicContact CG1-CD1 3.96Å; V984-I986 HydrophobicContact CG1-CG1 3.8Å; I986-L988 PolarHBondContact O-N 3.01Å; I986-W1016 WeakPolarHBondContact CA-O 3.38Å; I986-W1016 WeakPolarHBondContact CG2-O 3.32Å; I986-A1017 HydrophobicContact CD1-CB 4.29Å; I986-A1017 HydrophobicContact CG1-CB 3.81Å; I986-I1040 CarbonylContact O-C 3.55Å; I986-I1040 VanDerWaalsContact O-CA 3.23Å; I986-I1040 WeakPolarHBondContact O-CA 3.41Å; I986-M1041 HydrophobicContact CB-CB 4.3Å; I986-M1041 PolarHBondContact N-O 3.08Å; I986-M1041 PolarHBondContact O-N 3.29Å
987A97.3Very high95.2Very high4 Ų437.7 Ų37.73%0.03322%0.222CC..EExtended strand (participates in β ladder)trans-73.9119.4178.200000111.8L1012 G1015 W1016A987-L1012 HydrophobicContact CB-CB 4.09Å; A987-L1012 HydrophobicContact CB-CD2 3.9Å; A987-L1012 HydrophobicContact CB-CG 4.46Å; A987-G1015 PolarHBondContact O-N 3.1Å; A987-W1016 PolarHBondContact N-O 3.11Å; A987-W1016 VanDerWaalsContact N-O 3.07Å
988L98Very high95.1Very high3 Ų334.5 Ų34.52%0.01621%0.207CC..  trans-98.7-10.6-178.1-57179.7000113.9C885 L888 I889 V962 I986 L1014 Y1039 M1041C885-L988 HydrophobicContact CB-CB 4.43Å; C885-L988 HydrophobicContact CB-CD2 4.4Å; C885-L988 WeakPolarHBondContact CB-O 3.43Å; L888-L988 HydrophobicContact CD2-CD1 3.85Å; L888-L988 HydrophobicContact CD2-CD2 3.94Å; L888-L988 HydrophobicContact CG-CD1 4.5Å; I889-L988 HydrophobicContact CD1-CB 3.84Å; I889-L988 VanDerWaalsContact CD1-O 3.29Å; I889-L988 WeakPolarHBondContact CD1-O 3Å; I889-L988 HydrophobicContact CG1-CB 4.1Å; I889-L988 HydrophobicContact CG1-CD1 4.35Å; V962-L988 HydrophobicContact CG1-CD1 3.9Å; V962-L988 HydrophobicContact CG2-CD1 3.97Å; I986-L988 PolarHBondContact O-N 3.01Å; L988-L1014 WeakPolarHBondContact O-CD1 3.4Å; L988-Y1039 PolarHBondContact N-O 2.97Å; L988-Y1039 VanDerWaalsContact N-O 3.09Å; L988-M1041 HydrophobicContact CD1-CB 4.08Å; L988-M1041 HydrophobicContact CD2-CB 4.08Å; L988-M1041 HydrophobicContact CG-CB 4.26Å
989N96.9Very high95.1Very high13 Ų1334.5 Ų34.57%0.0721%0.209CC..SBendtrans-149.3172.6174.471.1-21.8000112.2I889 D994 Y995 T1037 Y1039I889-N989 HydrophobicContact CD1-CB 4.11Å; N989-D994 HydrophobicContact CB-CB 4Å; N989-D994 WeakPolarHBondContact CB-OD2 3.39Å; N989-D994 WeakPolarHBondContact ND2-CB 3.31Å; N989-Y995 WeakPolarHBondContact OD1-CE1 3.48Å; N989-T1037 PolarHBondContact ND2-O 3.27Å; N989-Y1039 WeakPolarHBondContact ND2-CD2 3.09Å; N989-Y1039 PolarHBondContact OD1-N 2.71Å
990R96Very high95.4Very high121 Ų12132.2 Ų32.246%0.45719%0.19SC..  trans-95.2125.5-162.4-60176.2-176.5170.40.3112.8I993 D994 L1014R990-I993 HydrophobicContact CB-CB 4.09Å; R990-I993 HydrophobicContact CB-CD1 4.37Å; R990-I993 PolarHBondContact O-N 3.12Å; R990-D994 WeakPolarHBondContact CB-OD2 3.12Å; R990-D994 PolarHBondContact N-OD2 3.19Å; R990-D994 PolarHBondContact O-N 2.83Å; R990-L1014 HydrophobicContact CG-CB 4.11Å; R990-L1014 HydrophobicContact CG-CD2 4.13Å
991A92.9Very high95.5Very high28 Ų2836 Ų3623%0.23120%0.204CC..BIsolated β-bridgetrans-59.7141.6165.200000110.8I993 Y995 D1011A991-I993 PolarHBondContact O-N 3Å; A991-Y995 HydrophobicContact CB-CE1 4.46Å; A991-Y995 HydrophobicContact CB-CE2 3.94Å; A991-D1011 HydrophobicContact CB-CB 4.48Å
992G92.8Very high95.5Very high65 Ų6533.4 Ų33.467%0.6719%0.188SC*.THydrogen-bonded Turntrans73.8-0.9-178.800000115.7Y995G992-Y995 PolarHBondContact N-O 2.85Å
993I94.6Very high95.5Very high123 Ų12335.6 Ų35.663%0.63120%0.202SC*.THydrogen-bonded Turntrans-126.4-54.3176.3-63.8172.7000110.2R990 A991R990-I993 HydrophobicContact CB-CB 4.09Å; R990-I993 HydrophobicContact CB-CD1 4.37Å; R990-I993 PolarHBondContact O-N 3.12Å; A991-I993 PolarHBondContact O-N 3Å
994D95.9Very high95.3Very high69 Ų6942.3 Ų42.337%0.36923%0.227SC..THydrogen-bonded Turntrans-96.9-22.5-177.2-53.7-58.1000112.3N989 R990 G1036 T1037N989-D994 HydrophobicContact CB-CB 4Å; N989-D994 WeakPolarHBondContact CB-OD2 3.39Å; N989-D994 WeakPolarHBondContact ND2-CB 3.31Å; R990-D994 WeakPolarHBondContact CB-OD2 3.12Å; R990-D994 PolarHBondContact N-OD2 3.19Å; R990-D994 PolarHBondContact O-N 2.83Å; D994-G1036 WeakPolarHBondContact O-CA 3.42Å; D994-T1037 PolarHBondContact O-N 2.91Å
995Y95.6Very high95.2Very high9 Ų945.5 Ų45.54%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-153.8160.3173.666.2-88.1000113.1N989 A991 G992 G997 S1035 R1038N989-Y995 WeakPolarHBondContact OD1-CE1 3.48Å; A991-Y995 HydrophobicContact CB-CE1 4.46Å; A991-Y995 HydrophobicContact CB-CE2 3.94Å; G992-Y995 PolarHBondContact N-O 2.85Å; Y995-G997 WeakPolarHBondContact CE2-O 3.46Å; Y995-S1035 CarbonylContact C-O 3.58Å; Y995-S1035 VanDerWaalsContact CA-O 3.25Å; Y995-S1035 WeakPolarHBondContact CA-O 3.23Å; Y995-S1035 WeakPolarHBondContact CB-O 3.11Å; Y995-R1038 HydrophobicContact CD1-CB 3.76Å; Y995-R1038 HydrophobicContact CD1-CG 4.12Å; Y995-R1038 HydrophobicContact CD2-CB 3.9Å; Y995-R1038 HydrophobicContact CD2-CG 4.26Å; Y995-R1038 HydrophobicContact CE1-CB 4Å; Y995-R1038 HydrophobicContact CE1-CG 3.82Å; Y995-R1038 HydrophobicContact CE2-CB 4.14Å; Y995-R1038 HydrophobicContact CE2-CG 3.97Å; Y995-R1038 HydrophobicContact CG-CB 3.7Å; Y995-R1038 HydrophobicContact CG-CG 4.33Å
996E95.5Very high95.1Very high115 Ų11550.2 Ų50.254%0.53727%0.265SS..EExtended strand (participates in β ladder)trans-117.5155.9168.2-61.3-177.9166.500111T1033 T1034 S1035E996-T1033 CarbonylContact O-C 3.56Å; E996-T1033 WeakPolarHBondContact O-CA 3.43Å; E996-T1034 PolarHBondContact O-N 3.3Å; E996-T1034 PolarHBondContact O-OG1 3.03Å; E996-S1035 PolarHBondContact N-O 2.86Å
997G92.7Very high95Very high34 Ų3451.6 Ų51.635%0.35127%0.274SS..EExtended strand (participates in β ladder)trans71.7-153.3-173.600000112.1Y995Y995-G997 WeakPolarHBondContact CE2-O 3.46Å
998G90.9Very high94.9Very high2 Ų254.1 Ų54.12%0.02129%0.289CS..  trans78.6-160-178.600000114.5K1010 L1031 Q1032G998-K1010 WeakPolarHBondContact O-CE 3.41Å; G998-L1031 WeakPolarHBondContact CA-O 3.34Å; G998-L1031 WeakPolarHBondContact O-CB 3.38Å; G998-Q1032 PolarHBondContact N-O 3.17Å
999G92.5Very high94.7Very high7 Ų754.3 Ų54.37%0.07229%0.291CS..  trans98.7-174-168.500000113.3A1009 L1031 R1038G999-A1009 CarbonylContact C-O 3.57Å; G999-A1009 VanDerWaalsContact CA-O 3.32Å; G999-A1009 WeakPolarHBondContact CA-O 3.2Å; G999-L1031 PolarHBondContact O-N 3.2Å; G999-R1038 PolarHBondContact O-NH1 2.92Å
1000V95.8Very high94.3Very high6 Ų659 Ų594%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-128.4131.6178.7-178.90000109.1D985 Y1002 T1008 A1009 H1028 E1029D985-V1000 WeakPolarHBondContact OD2-CG2 3.42Å; V1000-Y1002 HydrophobicContact CB-CE2 4.41Å; V1000-Y1002 HydrophobicContact CG1-CD2 4.47Å; V1000-Y1002 HydrophobicContact CG1-CE1 4.3Å; V1000-Y1002 HydrophobicContact CG1-CE2 3.91Å; V1000-T1008 CarbonylContact O-C 3.54Å; V1000-T1008 WeakPolarHBondContact O-CA 3.27Å; V1000-A1009 PolarHBondContact N-O 3.03Å; V1000-A1009 PolarHBondContact O-N 3.09Å; V1000-H1028 HydrophobicContact CG1-CB 4.04Å; V1000-E1029 WeakPolarHBondContact CA-O 3.41Å
1001R96.3Very high93.7Very high80 Ų8058.9 Ų58.930%0.30232%0.319SS..EExtended strand (participates in β ladder)trans-114.4120.5175.4173.4166.5174.6-118.27.7110.9V1003 N1006 C1007 H1028 E1029 L1031R1001-V1003 PolarHBondContact O-N 3.24Å; R1001-N1006 PolarHBondContact NE-OD1 2.96Å; R1001-N1006 PolarHBondContact NH2-OD1 2.62Å; R1001-C1007 CarbonylContact C-O 3.58Å; R1001-C1007 WeakPolarHBondContact CA-O 3.42Å; R1001-H1028 CarbonylContact O-C 3.58Å; R1001-H1028 WeakPolarHBondContact O-CA 3.38Å; R1001-E1029 HydrophobicContact CB-CG 3.83Å; R1001-E1029 VanDerWaalsContact CD-OE1 3.31Å; R1001-E1029 WeakPolarHBondContact CD-OE1 3.42Å; R1001-E1029 HydrophobicContact CG-CG 4.37Å; R1001-E1029 IonicContact CZ-OE1 3.52Å; R1001-E1029 PolarHBondContact N-O 3.07Å; R1001-E1029 IonicContact NE-OE1 2.7Å; R1001-E1029 IonicContact NH1-OE1 3.49Å; R1001-E1029 PolarHBondContact NH1-OE1 2.87Å; R1001-E1029 PolarHBondContact O-N 3.37Å; R1001-L1031 HydrophobicContact CB-CD1 4.23Å; R1001-L1031 HydrophobicContact CB-CD2 3.92Å; R1001-L1031 HydrophobicContact CB-CG 4.11Å
1002Y96.8Very high93.4Very high0 Ų059 Ų590%032%0.316CS..EExtended strand (participates in β ladder)trans-86.598.4176.6-60.8-86000109C871 V874 V1000 R1004 Y1005 N1006 C1007 A1009 H1020 H1026 H1028C871-Y1002 HydrophobicContact CB-CD2 4.11Å; V874-Y1002 HydrophobicContact CB-CE2 4.36Å; V874-Y1002 HydrophobicContact CG1-CE2 3.83Å; V874-Y1002 WeakPolarHBondContact CG1-OH 3.46Å; V874-Y1002 HydrophobicContact CG2-CD1 4Å; V874-Y1002 HydrophobicContact CG2-CD2 4.04Å; V874-Y1002 HydrophobicContact CG2-CE1 3.7Å; V874-Y1002 HydrophobicContact CG2-CE2 3.76Å; V874-Y1002 HydrophobicContact CG2-CG 4.15Å; V1000-Y1002 HydrophobicContact CB-CE2 4.41Å; V1000-Y1002 HydrophobicContact CG1-CD2 4.47Å; V1000-Y1002 HydrophobicContact CG1-CE1 4.3Å; V1000-Y1002 HydrophobicContact CG1-CE2 3.91Å; Y1002-R1004 VanDerWaalsContact C-N 3.35Å; Y1002-R1004 PolarHBondContact O-N 2.72Å; Y1002-Y1005 PolarHBondContact O-N 3.42Å; Y1002-Y1005 VanDerWaalsContact O-N 3.09Å; Y1002-N1006 PolarHBondContact O-N 2.9Å; Y1002-N1006 VanDerWaalsContact O-N 3.14Å; Y1002-C1007 PolarHBondContact N-O 3.09Å; Y1002-C1007 PolarHBondContact O-N 3.02Å; Y1002-A1009 HydrophobicContact CE2-CB 4.31Å; Y1002-H1020 HydrophobicContact CE1-CB 4.26Å; Y1002-H1020 AromaticContact CE1-CD2 3.9Å; Y1002-H1020 AromaticContact CE1-CG 3.83Å; Y1002-H1020 AromaticContact CZ-CD2 3.97Å; Y1002-H1020 PolarHBondContact OH-CD2 2.62Å; Y1002-H1026 HydrophobicContact CD1-CB 4.11Å; Y1002-H1026 AromaticContact CD1-CD2 3.78Å; Y1002-H1026 HydrophobicContact CE1-CB 4.43Å; Y1002-H1028 HydrophobicContact CD1-CB 3.75Å; Y1002-H1028 HydrophobicContact CE1-CB 4.05Å; Y1002-H1028 HydrophobicContact CG-CB 4.39Å
1003V94.7Very high93.4Very high52 Ų5261.8 Ų61.832%0.31531%0.311SS..G310 helixtrans-57.5-44.6-166.4-177.20000111.8P975 R1001 Y1005 N1006 M1027 E1029P975-V1003 HydrophobicContact CB-CG2 4.31Å; P975-V1003 HydrophobicContact CG-CG2 4.42Å; R1001-V1003 PolarHBondContact O-N 3.24Å; V1003-Y1005 PolarHBondContact O-N 2.78Å; V1003-N1006 PolarHBondContact O-N 2.83Å; V1003-M1027 PolarHBondContact N-O 2.79Å; V1003-E1029 HydrophobicContact CG2-CG 4.38Å
1004R95.2Very high93.5Very high144 Ų14457.4 Ų57.454%0.54329%0.289SS..G310 helixtrans-62.4-25.1-179.5-78.6-172.264-103.13.2114.4Y1002 T1025Y1002-R1004 VanDerWaalsContact C-N 3.35Å; Y1002-R1004 PolarHBondContact O-N 2.72Å; R1004-T1025 WeakPolarHBondContact CD-O 3.34Å; R1004-T1025 PolarHBondContact NH1-O 3.2Å
1005Y94.4Very high93.6Very high67 Ų6754.1 Ų54.126%0.26327%0.271SS..G310 helixtrans-104.6-2.9-179.3-53-57.4000112.8P872 Y1002 V1003 C1007 H1026P872-Y1005 HydrophobicContact CG-CD1 4.36Å; P872-Y1005 HydrophobicContact CG-CG 4.33Å; Y1002-Y1005 PolarHBondContact O-N 3.42Å; Y1002-Y1005 VanDerWaalsContact O-N 3.09Å; V1003-Y1005 PolarHBondContact O-N 2.78Å; Y1005-C1007 PolarHBondContact O-N 3.16Å; Y1005-H1026 AromaticContact CE2-CD2 3.74Å; Y1005-H1026 AromaticContact CE2-CE1 3.9Å; Y1005-H1026 AromaticContact CE2-NE2 3.5Å
1006N94.6Very high93.7Very high113 Ų11356 Ų5660%0.60428%0.278SS*.THydrogen-bonded Turntrans45.631.4-165.5-16644000113.1R1001 Y1002 V1003R1001-N1006 PolarHBondContact NE-OD1 2.96Å; R1001-N1006 PolarHBondContact NH2-OD1 2.62Å; Y1002-N1006 PolarHBondContact O-N 2.9Å; Y1002-N1006 VanDerWaalsContact O-N 3.14Å; V1003-N1006 PolarHBondContact O-N 2.83Å
1007C96.1Very high93.8Very high28 Ų2850.5 Ų50.519%0.18925%0.253CS..EExtended strand (participates in β ladder)trans-106.1144.4-173.2-176.60000109.9P870 C871 R1001 Y1002 Y1005P870-C1007 PolarHBondContact O-SG 2.89Å; C871-C1007 WeakPolarHBondContact CA-SG 3.5Å; C871-C1007 HydrophobicContact CB-CB 3.79Å; C871-C1007 WeakPolarHBondContact CB-SG 3.29Å; C871-C1007 VanDerWaalsContact SG-C 3.59Å; C871-C1007 WeakPolarHBondContact SG-CB 3.46Å; C871-C1007 CovalentContact SG-SG 2.03Å; C871-C1007 PolarHBondContact SG-SG 3.39Å; R1001-C1007 CarbonylContact C-O 3.58Å; R1001-C1007 WeakPolarHBondContact CA-O 3.42Å; Y1002-C1007 PolarHBondContact N-O 3.09Å; Y1002-C1007 PolarHBondContact O-N 3.02Å; Y1005-C1007 PolarHBondContact O-N 3.16Å
1008T94.8Very high94Very high57 Ų5749 Ų4935%0.3524%0.237SC..EExtended strand (participates in β ladder)trans-131.4119.7-172.1-61.40000110.2V1000 K1010 L1031V1000-T1008 CarbonylContact O-C 3.54Å; V1000-T1008 WeakPolarHBondContact O-CA 3.27Å; T1008-K1010 HydrophobicContact CG2-CB 4.43Å; T1008-K1010 HydrophobicContact CG2-CD 3.82Å; T1008-K1010 HydrophobicContact CG2-CG 3.7Å; T1008-L1031 HydrophobicContact CG2-CD1 3.66Å
1009A93.1Very high94.3Very high7 Ų749 Ų496%0.05824%0.236CC..EExtended strand (participates in β ladder)trans-90.8112.5166.900000108.4P870 G999 V1000 Y1002 L1018P870-A1009 HydrophobicContact CB-CB 4.49Å; G999-A1009 CarbonylContact C-O 3.57Å; G999-A1009 VanDerWaalsContact CA-O 3.32Å; G999-A1009 WeakPolarHBondContact CA-O 3.2Å; V1000-A1009 PolarHBondContact N-O 3.03Å; V1000-A1009 PolarHBondContact O-N 3.09Å; Y1002-A1009 HydrophobicContact CE2-CB 4.31Å; A1009-L1018 HydrophobicContact CB-CD1 3.73Å; A1009-L1018 HydrophobicContact CB-CD2 4.34Å
1010K88.1Confident94.5Very high112 Ų11248.7 Ų48.749%0.48723%0.233SC..  trans-125.4165.4177.9-93.3175.7179.3-170.50109.8G998 T1008 L1012G998-K1010 WeakPolarHBondContact O-CE 3.41Å; T1008-K1010 HydrophobicContact CG2-CB 4.43Å; T1008-K1010 HydrophobicContact CG2-CD 3.82Å; T1008-K1010 HydrophobicContact CG2-CG 3.7Å; K1010-L1012 PolarHBondContact O-N 3.39Å; K1010-L1012 VanDerWaalsContact O-N 3.14Å
1011D83.5Confident94.6Very high119 Ų11949.7 Ų49.764%0.63624%0.24SC*.SBendtrans53.738.7169.5-46.7-42.9000113.1A991 E1013A991-D1011 HydrophobicContact CB-CB 4.48Å; D1011-E1013 PolarHBondContact O-N 2.85Å
1012L87.2Confident94.4Very high31 Ų3145.9 Ų45.916%0.16223%0.225CC..PPolyproline II helixtrans-62.3132.3179.2-150.282.3000109.7A987 K1010 W1016 L1018A987-L1012 HydrophobicContact CB-CB 4.09Å; A987-L1012 HydrophobicContact CB-CD2 3.9Å; A987-L1012 HydrophobicContact CB-CG 4.46Å; K1010-L1012 PolarHBondContact O-N 3.39Å; K1010-L1012 VanDerWaalsContact O-N 3.14Å; L1012-W1016 HydrophobicContact CD2-CB 4.12Å; L1012-W1016 WeakPolarHBondContact CD2-O 3.44Å; L1012-W1016 HydrophobicContact CG-CB 4.14Å; L1012-L1018 HydrophobicContact CD1-CD1 4.29Å; L1012-L1018 HydrophobicContact CD1-CD2 3.6Å; L1012-L1018 HydrophobicContact CD1-CG 3.83Å; L1012-L1018 HydrophobicContact CD2-CG 3.96Å
1013E93.4Very high94.1Very high123 Ų12351.2 Ų51.258%0.57525%0.245SC*.PPolyproline II helixtrans-63.8149.9178.3-80.4-173.1-163.800112.1D1011 G1015 W1016D1011-E1013 PolarHBondContact O-N 2.85Å; E1013-G1015 PolarHBondContact O-N 2.84Å; E1013-W1016 HydrophobicContact CB-CD2 4.41Å; E1013-W1016 HydrophobicContact CB-CG 3.88Å; E1013-W1016 VanDerWaalsContact CB-NE1 3.35Å; E1013-W1016 WeakPolarHBondContact O-CB 3.31Å; E1013-W1016 PolarHBondContact O-N 2.83Å; E1013-W1016 VanDerWaalsContact O-N 3.12Å; E1013-W1016 PolarHBondContact OE2-NE1 3.38Å
1014L96.4Very high93.9Very high31 Ų3155.7 Ų55.716%0.16227%0.266CS..THydrogen-bonded Turntrans-57.1124.9178.4176.858.5000111.5P882 C885 L988 R990 W1016P882-L1014 HydrophobicContact CB-CD2 3.77Å; P882-L1014 HydrophobicContact CG-CD2 4.06Å; C885-L1014 HydrophobicContact CB-CD1 3.61Å; C885-L1014 HydrophobicContact CB-CG 4.46Å; L988-L1014 WeakPolarHBondContact O-CD1 3.4Å; R990-L1014 HydrophobicContact CG-CB 4.11Å; R990-L1014 HydrophobicContact CG-CD2 4.13Å; L1014-W1016 VanDerWaalsContact C-N 3.31Å
1015G97.5Very high93.7Very high0 Ų050.9 Ų50.90%025%0.253CS..THydrogen-bonded Turntrans808.2178.900000114.8I879 F880 A987 E1013I879-G1015 VanDerWaalsContact CG2-O 3.32Å; I879-G1015 WeakPolarHBondContact CG2-O 3.42Å; I879-G1015 PolarHBondContact N-O 2.77Å; F880-G1015 PolarHBondContact N-O 3.37Å; A987-G1015 PolarHBondContact O-N 3.1Å; E1013-G1015 PolarHBondContact O-N 2.84Å
1016W97.6Very high93.8Very high47 Ų4747.7 Ų47.718%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-87.6147.6169.3-73.463.6000111.9F877 P878 I986 A987 L1012 E1013 L1014F877-W1016 WeakPolarHBondContact O-CA 3.36Å; P878-W1016 HydrophobicContact CB-CD2 4Å; P878-W1016 HydrophobicContact CB-CG 4.27Å; P878-W1016 HydrophobicContact CB-CZ2 4.23Å; P878-W1016 HydrophobicContact CG-CH2 4.43Å; P878-W1016 HydrophobicContact CG-CZ2 4.24Å; I986-W1016 WeakPolarHBondContact CA-O 3.38Å; I986-W1016 WeakPolarHBondContact CG2-O 3.32Å; A987-W1016 PolarHBondContact N-O 3.11Å; A987-W1016 VanDerWaalsContact N-O 3.07Å; L1012-W1016 HydrophobicContact CD2-CB 4.12Å; L1012-W1016 WeakPolarHBondContact CD2-O 3.44Å; L1012-W1016 HydrophobicContact CG-CB 4.14Å; E1013-W1016 HydrophobicContact CB-CD2 4.41Å; E1013-W1016 HydrophobicContact CB-CG 3.88Å; E1013-W1016 VanDerWaalsContact CB-NE1 3.35Å; E1013-W1016 WeakPolarHBondContact O-CB 3.31Å; E1013-W1016 PolarHBondContact O-N 2.83Å; E1013-W1016 VanDerWaalsContact O-N 3.12Å; E1013-W1016 PolarHBondContact OE2-NE1 3.38Å; L1014-W1016 VanDerWaalsContact C-N 3.31Å
1017A97.6Very high93.8Very high0 Ų045.6 Ų45.60%023%0.228CC..EExtended strand (participates in β ladder)trans-108.2137.1176.600000111S876 F877 I879 V984 D985 I986S876-A1017 VanDerWaalsContact CA-O 3.3Å; S876-A1017 WeakPolarHBondContact CA-O 3.33Å; F877-A1017 HydrophobicContact CD1-CB 4.48Å; F877-A1017 HydrophobicContact CD2-CB 4.47Å; F877-A1017 HydrophobicContact CE1-CB 4.05Å; F877-A1017 HydrophobicContact CE2-CB 4.05Å; F877-A1017 HydrophobicContact CZ-CB 3.82Å; F877-A1017 PolarHBondContact N-O 3.09Å; F877-A1017 VanDerWaalsContact N-O 3.09Å; F877-A1017 PolarHBondContact O-N 3.14Å; I879-A1017 HydrophobicContact CG2-CB 3.89Å; V984-A1017 HydrophobicContact CG1-CB 4.07Å; D985-A1017 CarbonylContact O-C 3.53Å; D985-A1017 WeakPolarHBondContact O-CA 3.39Å; I986-A1017 HydrophobicContact CD1-CB 4.29Å; I986-A1017 HydrophobicContact CG1-CB 3.81Å
1018L97.5Very high93.8Very high4 Ų445 Ų452%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-91.2140.3155.3-64.8177.8000109P870 V874 Y875 V984 D985 A1009 L1012P870-L1018 HydrophobicContact CG-CD2 3.91Å; V874-L1018 HydrophobicContact CG1-CB 4.5Å; V874-L1018 HydrophobicContact CG1-CD2 4.08Å; Y875-L1018 CarbonylContact O-C 3.59Å; Y875-L1018 WeakPolarHBondContact O-CA 3.5Å; V984-L1018 WeakPolarHBondContact CA-O 3.41Å; D985-L1018 HydrophobicContact CB-CB 4.47Å; D985-L1018 PolarHBondContact N-O 2.68Å; D985-L1018 PolarHBondContact O-N 3.03Å; A1009-L1018 HydrophobicContact CB-CD1 3.73Å; A1009-L1018 HydrophobicContact CB-CD2 4.34Å; L1012-L1018 HydrophobicContact CD1-CD1 4.29Å; L1012-L1018 HydrophobicContact CD1-CD2 3.6Å; L1012-L1018 HydrophobicContact CD1-CG 3.83Å; L1012-L1018 HydrophobicContact CD2-CG 3.96Å
1019M97.6Very high93.8Very high0 Ų044.1 Ų44.10%021%0.214CC..EExtended strand (participates in β ladder)trans-136.2121176.1-179.1178.660.600110Y875 F877 V942 Q943 A946 F947 Y982 T983 V984Y875-M1019 PolarHBondContact N-O 3.45Å; Y875-M1019 PolarHBondContact O-N 2.94Å; F877-M1019 HydrophobicContact CE1-CB 3.94Å; F877-M1019 HydrophobicContact CE1-CE 4.1Å; F877-M1019 HydrophobicContact CE1-SD 4.41Å; V942-M1019 HydrophobicContact CG1-CE 4.28Å; Q943-M1019 HydrophobicContact CB-CE 4.5Å; Q943-M1019 HydrophobicContact CB-SD 3.89Å; Q943-M1019 HydrophobicContact CG-SD 4.49Å; A946-M1019 HydrophobicContact CB-CE 3.48Å; A946-M1019 VanDerWaalsContact CB-CE 3.48Å; F947-M1019 HydrophobicContact CD2-CE 4.41Å; F947-M1019 HydrophobicContact CE2-CE 3.95Å; F947-M1019 HydrophobicContact CE2-CG 4.03Å; F947-M1019 HydrophobicContact CE2-SD 4.12Å; Y982-M1019 HydrophobicContact CD2-CG 3.92Å; Y982-M1019 HydrophobicContact CD2-SD 4.12Å; Y982-M1019 HydrophobicContact CE2-CG 4.43Å; Y982-M1019 HydrophobicContact CE2-SD 4.12Å; T983-M1019 WeakPolarHBondContact O-CA 3.36Å; V984-M1019 HydrophobicContact CG2-CG 4.39Å
1020H97.2Very high93.9Very high2 Ų244.1 Ų44.11%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-145.8157.5-174.261.886.3000111.8V874 D978 Y982 T983 Y1002 H1028V874-H1020 HydrophobicContact CB-CB 4.41Å; V874-H1020 HydrophobicContact CG1-CB 4.38Å; V874-H1020 HydrophobicContact CG2-CB 3.93Å; D978-H1020 IonicContact OD2-CE1 3.61Å; D978-H1020 PolarHBondContact OD2-CE1 2.74Å; Y982-H1020 CarbonylContact C-O 3.28Å; Y982-H1020 VanDerWaalsContact CA-O 3.25Å; Y982-H1020 WeakPolarHBondContact CA-O 3.35Å; Y982-H1020 WeakPolarHBondContact CB-O 3.36Å; T983-H1020 PolarHBondContact N-O 3.36Å; T983-H1020 PolarHBondContact O-N 2.99Å; T983-H1020 VanDerWaalsContact O-N 3.12Å; Y1002-H1020 HydrophobicContact CE1-CB 4.26Å; Y1002-H1020 AromaticContact CE1-CD2 3.9Å; Y1002-H1020 AromaticContact CE1-CG 3.83Å; Y1002-H1020 AromaticContact CZ-CD2 3.97Å; Y1002-H1020 PolarHBondContact OH-CD2 2.62Å; H1020-H1028 AromaticContact CE1-CE1 3.91Å
1021P96.8Very high94.2Very high27 Ų2740.5 Ų40.518%0.17520%0.201CC..EExtended strand (participates in β ladder)trans-55.3138.9168-24.133.5000111.6D873 F947 T981 H1026D873-P1021 WeakPolarHBondContact O-CD 3.31Å; F947-P1021 HydrophobicContact CE1-CG 4.33Å; T981-P1021 WeakPolarHBondContact O-CA 3.44Å; P1021-H1026 VanDerWaalsContact CD-CE1 3.5Å; P1021-H1026 WeakPolarHBondContact CD-CE1 3.39Å; P1021-H1026 VanDerWaalsContact O-CB 3.26Å; P1021-H1026 WeakPolarHBondContact O-CB 3.49Å
1022G93.2Very high94.8Very high0 Ų040.6 Ų40.60%020%0.197CC..  trans-85.8-36.2-179.500000114.3H977 D978 S980 T981H977-G1022 PolarHBondContact ND1-O 3.11Å; D978-G1022 PolarHBondContact N-O 3.35Å; D978-G1022 VanDerWaalsContact N-O 3.08Å; S980-G1022 WeakPolarHBondContact OG-CA 3.41Å; T981-G1022 PolarHBondContact O-N 3.32Å
1023R89.8Confident95.3Very high112 Ų11239.1 Ų39.142%0.42319%0.19SC..SBendtrans-103.4155.8-172.4-73.4167.2177.9156.70.2112.8D978 A979 S980 T1025 P1047D978-R1023 WeakPolarHBondContact O-CG 3.37Å; A979-R1023 PolarHBondContact O-NH2 3Å; S980-R1023 VanDerWaalsContact O-CD 3.22Å; S980-R1023 WeakPolarHBondContact O-CD 3.28Å; S980-R1023 VanDerWaalsContact O-CG 3.25Å; S980-R1023 WeakPolarHBondContact O-CG 3.32Å; R1023-T1025 PolarHBondContact O-N 3.11Å; R1023-P1047 PolarHBondContact NH1-OXT 2.94Å; R1023-P1047 PolarHBondContact NH2-OXT 3.46Å
1024L89.2Confident95.4Very high145 Ų14537.1 Ų37.176%0.75919%0.186SC*.SBendtrans63-54.2169.7-174.267.6000116.8H977H977-L1024 VanDerWaalsContact CE1-C 3.43Å; H977-L1024 PolarHBondContact CE1-O 2.99Å
1025T92.8Very high95.4Very high43 Ų4338.4 Ų38.426%0.26420%0.198SC..SBendtrans-99.5-29-166.852.60000114R1004 R1023R1004-T1025 WeakPolarHBondContact CD-O 3.34Å; R1004-T1025 PolarHBondContact NH1-O 3.2Å; R1023-T1025 PolarHBondContact O-N 3.11Å
1026H95.1Very high95.3Very high0 Ų040 Ų400%021%0.214CC..  trans-112.561.9-174.5-66.868.7000111.4P872 Y1002 Y1005 P1021 H1028P872-H1026 PolarHBondContact O-NE2 2.84Å; P872-H1026 VanDerWaalsContact O-NE2 3.11Å; Y1002-H1026 HydrophobicContact CD1-CB 4.11Å; Y1002-H1026 AromaticContact CD1-CD2 3.78Å; Y1002-H1026 HydrophobicContact CE1-CB 4.43Å; Y1005-H1026 AromaticContact CE2-CD2 3.74Å; Y1005-H1026 AromaticContact CE2-CE1 3.9Å; Y1005-H1026 AromaticContact CE2-NE2 3.5Å; P1021-H1026 VanDerWaalsContact CD-CE1 3.5Å; P1021-H1026 WeakPolarHBondContact CD-CE1 3.39Å; P1021-H1026 VanDerWaalsContact O-CB 3.26Å; P1021-H1026 WeakPolarHBondContact O-CB 3.49Å; H1026-H1028 PolarHBondContact O-N 3.33Å; H1026-H1028 PolarHBondContact O-ND1 2.87Å; H1026-H1028 VanDerWaalsContact O-ND1 3.1Å
1027M95Very high95.3Very high70 Ų7039 Ų3935%0.34521%0.213SC..  trans-64.6121.1165.7-177.6176.9-75.300107.8P975 H976 H977 V1003P975-M1027 HydrophobicContact CB-CG 4.38Å; P975-M1027 HydrophobicContact CB-SD 4.38Å; H976-M1027 VanDerWaalsContact O-CA 3.27Å; H976-M1027 WeakPolarHBondContact O-CA 3.43Å; H977-M1027 PolarHBondContact CE1-N 2.92Å; V1003-M1027 PolarHBondContact N-O 2.79Å
1028H96Very high95.3Very high16 Ų1639.7 Ų39.77%0.07422%0.216CC..EExtended strand (participates in β ladder)trans-138.4157.8-171.369.9-81.8000112.2P975 H976 D978 V1000 R1001 Y1002 H1020 H1026P975-H1028 CarbonylContact C-O 3.52Å; P975-H1028 VanDerWaalsContact CA-O 3.3Å; P975-H1028 WeakPolarHBondContact CA-O 3.33Å; H976-H1028 AromaticContact CE1-CD2 3.9Å; H976-H1028 AromaticContact CE1-CE1 3.95Å; H976-H1028 AromaticContact CE1-NE2 3.4Å; H976-H1028 PolarHBondContact CE1-NE2 2.9Å; H976-H1028 PolarHBondContact N-O 3.33Å; H976-H1028 PolarHBondContact ND1-O 3.49Å; H976-H1028 AromaticContact NE2-CE1 3.8Å; H976-H1028 AromaticContact NE2-NE2 3.5Å; H976-H1028 PolarHBondContact O-N 3.27Å; D978-H1028 IonicContact OD1-CE1 2.74Å; D978-H1028 PolarHBondContact OD1-CE1 2.86Å; D978-H1028 IonicContact OD1-NE2 2.62Å; D978-H1028 IonicContact OD2-CE1 2.85Å; D978-H1028 PolarHBondContact OD2-CE1 3.17Å; V1000-H1028 HydrophobicContact CG1-CB 4.04Å; R1001-H1028 CarbonylContact O-C 3.58Å; R1001-H1028 WeakPolarHBondContact O-CA 3.38Å; Y1002-H1028 HydrophobicContact CD1-CB 3.75Å; Y1002-H1028 HydrophobicContact CE1-CB 4.05Å; Y1002-H1028 HydrophobicContact CG-CB 4.39Å; H1020-H1028 AromaticContact CE1-CE1 3.91Å; H1026-H1028 PolarHBondContact O-N 3.33Å; H1026-H1028 PolarHBondContact O-ND1 2.87Å; H1026-H1028 VanDerWaalsContact O-ND1 3.1Å
1029E94.7Very high95.3Very high37 Ų3740.7 Ų40.717%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-127.7140.617864.5-173.8170.200110.8L973 P975 V1000 R1001 V1003 L1031L973-E1029 CarbonylContact O-C 3.54Å; L973-E1029 WeakPolarHBondContact O-CA 3.3Å; P975-E1029 HydrophobicContact CG-CB 3.98Å; P975-E1029 WeakPolarHBondContact CG-OE2 3.43Å; V1000-E1029 WeakPolarHBondContact CA-O 3.41Å; R1001-E1029 HydrophobicContact CB-CG 3.83Å; R1001-E1029 VanDerWaalsContact CD-OE1 3.31Å; R1001-E1029 WeakPolarHBondContact CD-OE1 3.42Å; R1001-E1029 HydrophobicContact CG-CG 4.37Å; R1001-E1029 IonicContact CZ-OE1 3.52Å; R1001-E1029 PolarHBondContact N-O 3.07Å; R1001-E1029 IonicContact NE-OE1 2.7Å; R1001-E1029 IonicContact NH1-OE1 3.49Å; R1001-E1029 PolarHBondContact NH1-OE1 2.87Å; R1001-E1029 PolarHBondContact O-N 3.37Å; V1003-E1029 HydrophobicContact CG2-CG 4.38Å; E1029-L1031 HydrophobicContact CG-CD2 4.22Å; E1029-L1031 PolarHBondContact O-N 3.47Å
1030G95.1Very high95.3Very high7 Ų741 Ų417%0.07222%0.221CC..EExtended strand (participates in β ladder)trans-81.5110.7170.300000108.9S972 L973S972-G1030 WeakPolarHBondContact CA-O 3.47Å; S972-G1030 WeakPolarHBondContact CB-O 3.45Å; L973-G1030 PolarHBondContact N-O 2.85Å; L973-G1030 PolarHBondContact O-N 3.26Å
1031L95.6Very high95.3Very high37 Ų3740.9 Ų40.919%0.19422%0.221CC..PPolyproline II helixtrans-66.9155.7-177.4-65.5179000111.4G998 G999 R1001 T1008 E1029 T1033G998-L1031 WeakPolarHBondContact CA-O 3.34Å; G998-L1031 WeakPolarHBondContact O-CB 3.38Å; G999-L1031 PolarHBondContact O-N 3.2Å; R1001-L1031 HydrophobicContact CB-CD1 4.23Å; R1001-L1031 HydrophobicContact CB-CD2 3.92Å; R1001-L1031 HydrophobicContact CB-CG 4.11Å; T1008-L1031 HydrophobicContact CG2-CD1 3.66Å; E1029-L1031 HydrophobicContact CG-CD2 4.22Å; E1029-L1031 PolarHBondContact O-N 3.47Å; L1031-T1033 PolarHBondContact O-N 2.87Å
1032Q95.5Very high95.3Very high120 Ų12040.2 Ų40.256%0.56122%0.216SC*.PPolyproline II helixtrans-66.8120.6-174.9-172.9176.50.400112.6A971 G998A971-Q1032 HydrophobicContact CB-CG 3.93Å; A971-Q1032 CarbonylContact O-C 3.55Å; A971-Q1032 VanDerWaalsContact O-CA 3.31Å; A971-Q1032 WeakPolarHBondContact O-CA 3.45Å; G998-Q1032 PolarHBondContact N-O 3.17Å
1033T96.6Very high95.5Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-71.5122161.7-68.70000108.8A971 E996 L1031 S1035 R1038A971-T1033 PolarHBondContact O-N 2.7Å; E996-T1033 CarbonylContact O-C 3.56Å; E996-T1033 WeakPolarHBondContact O-CA 3.43Å; L1031-T1033 PolarHBondContact O-N 2.87Å; T1033-S1035 WeakPolarHBondContact CG2-O 3.45Å; T1033-R1038 HydrophobicContact CG2-CB 4.39Å
1034T95.9Very high95.8Very high82 Ų8236.2 Ų36.250%0.50320%0.202SC..EExtended strand (participates in β ladder)trans-100.7-22.7-171.851.80000113.7E996E996-T1034 PolarHBondContact O-N 3.3Å; E996-T1034 PolarHBondContact O-OG1 3.03Å
1035S96.4Very high96.1Very high57 Ų5729.3 Ų29.340%0.39917%0.166SC..EExtended strand (participates in β ladder)trans-150.7158.2176.3-169.40000110.2Y995 E996 T1033Y995-S1035 CarbonylContact C-O 3.58Å; Y995-S1035 VanDerWaalsContact CA-O 3.25Å; Y995-S1035 WeakPolarHBondContact CA-O 3.23Å; Y995-S1035 WeakPolarHBondContact CB-O 3.11Å; E996-S1035 PolarHBondContact N-O 2.86Å; T1033-S1035 WeakPolarHBondContact CG2-O 3.45Å
1036G96.3Very high96.1Very high33 Ų3328 Ų2834%0.3416%0.157SC..EExtended strand (participates in β ladder)trans67.4-147.517800000113.9P967 D994P967-G1036 VanDerWaalsContact CD-O 3.32Å; P967-G1036 WeakPolarHBondContact CD-O 3.23Å; D994-G1036 WeakPolarHBondContact O-CA 3.42Å
1037T97Very high95.8Very high28 Ų2831.6 Ų31.617%0.17218%0.18CC..  trans-138.7125.4-178.4-58.80000110R964 Y965 K966 N989 D994 Y1039R964-T1037 HydrophobicContact CG-CG2 3.55Å; Y965-T1037 WeakPolarHBondContact O-CA 3.22Å; K966-T1037 HydrophobicContact CD-CG2 4.25Å; K966-T1037 WeakPolarHBondContact CE-OG1 3.27Å; K966-T1037 HydrophobicContact CG-CG2 3.73Å; K966-T1037 WeakPolarHBondContact CG-OG1 3.47Å; N989-T1037 PolarHBondContact ND2-O 3.27Å; D994-T1037 PolarHBondContact O-N 2.91Å; T1037-Y1039 HydrophobicContact CG2-CD2 4.09Å; T1037-Y1039 HydrophobicContact CG2-CE1 4.09Å; T1037-Y1039 HydrophobicContact CG2-CE2 3.48Å; T1037-Y1039 VanDerWaalsContact CG2-CE2 3.48Å; T1037-Y1039 VanDerWaalsContact CG2-CZ 3.46Å
1038R97Very high95.8Very high13 Ų1329.7 Ų29.75%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-101.7125.4175.4175.1-177.7174-147.5-3.4109.8Y965 D985 Y995 G999 T1033 I1040Y965-R1038 HydrophobicContact CD2-CG 4.48Å; Y965-R1038 PolarHBondContact N-O 3.03Å; Y965-R1038 PolarHBondContact O-N 2.85Å; D985-R1038 IonicContact OD2-NH2 3.4Å; Y995-R1038 HydrophobicContact CD1-CB 3.76Å; Y995-R1038 HydrophobicContact CD1-CG 4.12Å; Y995-R1038 HydrophobicContact CD2-CB 3.9Å; Y995-R1038 HydrophobicContact CD2-CG 4.26Å; Y995-R1038 HydrophobicContact CE1-CB 4Å; Y995-R1038 HydrophobicContact CE1-CG 3.82Å; Y995-R1038 HydrophobicContact CE2-CB 4.14Å; Y995-R1038 HydrophobicContact CE2-CG 3.97Å; Y995-R1038 HydrophobicContact CG-CB 3.7Å; Y995-R1038 HydrophobicContact CG-CG 4.33Å; G999-R1038 PolarHBondContact O-NH1 2.92Å; T1033-R1038 HydrophobicContact CG2-CB 4.39Å; R1038-I1040 HydrophobicContact CG-CG2 4.42Å
1039Y97.8Very high95.8Very high25 Ų2530.4 Ų30.410%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-109.1135.5171.2-61.5-83.9000110.7I889 E893 W898 V962 V963 R964 L988 N989 T1037I889-Y1039 HydrophobicContact CD1-CD2 3.63Å; I889-Y1039 HydrophobicContact CD1-CE2 4.32Å; I889-Y1039 HydrophobicContact CD1-CG 3.96Å; I889-Y1039 HydrophobicContact CG1-CD1 4.4Å; I889-Y1039 HydrophobicContact CG1-CD2 3.97Å; I889-Y1039 HydrophobicContact CG1-CG 3.91Å; I889-Y1039 HydrophobicContact CG2-CD2 4.21Å; I889-Y1039 HydrophobicContact CG2-CE1 4.42Å; I889-Y1039 HydrophobicContact CG2-CE2 3.93Å; E893-Y1039 PolarHBondContact OE1-OH 3.05Å; W898-Y1039 HydrophobicContact CH2-CD1 4.02Å; W898-Y1039 AromaticContact CH2-CE1 3.85Å; W898-Y1039 HydrophobicContact CH2-CE1 3.85Å; W898-Y1039 AromaticContact CZ2-CE1 3.9Å; W898-Y1039 HydrophobicContact CZ2-CE1 3.9Å; V962-Y1039 HydrophobicContact CG1-CD1 4.36Å; V963-Y1039 WeakPolarHBondContact O-CA 3.45Å; R964-Y1039 HydrophobicContact CB-CD1 3.98Å; R964-Y1039 HydrophobicContact CB-CE1 3.89Å; R964-Y1039 VanDerWaalsContact CD-CE1 3.43Å; R964-Y1039 HydrophobicContact CG-CD1 3.93Å; R964-Y1039 HydrophobicContact CG-CE1 3.47Å; R964-Y1039 VanDerWaalsContact CG-CE1 3.47Å; L988-Y1039 PolarHBondContact N-O 2.97Å; L988-Y1039 VanDerWaalsContact N-O 3.09Å; N989-Y1039 WeakPolarHBondContact ND2-CD2 3.09Å; N989-Y1039 PolarHBondContact OD1-N 2.71Å; T1037-Y1039 HydrophobicContact CG2-CD2 4.09Å; T1037-Y1039 HydrophobicContact CG2-CE1 4.09Å; T1037-Y1039 HydrophobicContact CG2-CE2 3.48Å; T1037-Y1039 VanDerWaalsContact CG2-CE2 3.48Å; T1037-Y1039 VanDerWaalsContact CG2-CZ 3.46Å
1040I97.4Very high95.9Very high6 Ų630 Ų303%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-134.3147.117157.9171.4000111V962 V963 Y965 D985 I986 R1038 V1042V962-I1040 CarbonylContact C-O 3.52Å; V962-I1040 VanDerWaalsContact CA-O 3.26Å; V962-I1040 WeakPolarHBondContact CA-O 3.18Å; V963-I1040 HydrophobicContact CB-CD1 4.36Å; V963-I1040 HydrophobicContact CB-CG1 3.84Å; V963-I1040 HydrophobicContact CG2-CG1 4.4Å; V963-I1040 PolarHBondContact N-O 2.99Å; V963-I1040 PolarHBondContact O-N 3.32Å; V963-I1040 VanDerWaalsContact O-N 3.08Å; Y965-I1040 HydrophobicContact CE2-CD1 3.81Å; Y965-I1040 HydrophobicContact CE2-CG1 4.17Å; D985-I1040 VanDerWaalsContact OD1-CB 3.27Å; D985-I1040 WeakPolarHBondContact OD1-CB 3.11Å; D985-I1040 WeakPolarHBondContact OD1-CD1 3.29Å; D985-I1040 WeakPolarHBondContact OD1-CG2 3.37Å; I986-I1040 CarbonylContact O-C 3.55Å; I986-I1040 VanDerWaalsContact O-CA 3.23Å; I986-I1040 WeakPolarHBondContact O-CA 3.41Å; R1038-I1040 HydrophobicContact CG-CG2 4.42Å; I1040-V1042 HydrophobicContact CD1-CG2 3.68Å; I1040-V1042 HydrophobicContact CG1-CG2 3.99Å
1041M97.8Very high95.9Very high0 Ų031.4 Ų31.40%018%0.184CC..EExtended strand (participates in β ladder)trans-101.5121169.2178.456.7-170.400109.6L888 M922 W931 N960 V962 I986 L988L888-M1041 HydrophobicContact CD2-CB 4.31Å; L888-M1041 HydrophobicContact CD2-CG 4.42Å; M922-M1041 HydrophobicContact CE-CE 3.78Å; M922-M1041 HydrophobicContact CE-SD 3.69Å; M922-M1041 HydrophobicContact CG-CE 3.57Å; M922-M1041 HydrophobicContact SD-CE 3.7Å; M922-M1041 HydrophobicContact SD-SD 4.23Å; W931-M1041 HydrophobicContact CD2-CE 3.63Å; W931-M1041 HydrophobicContact CE3-CE 4.21Å; W931-M1041 HydrophobicContact CG-CE 4.07Å; W931-M1041 HydrophobicContact CH2-CE 4.12Å; W931-M1041 HydrophobicContact CH2-CG 3.46Å; W931-M1041 VanDerWaalsContact CH2-CG 3.46Å; W931-M1041 HydrophobicContact CZ2-CE 3.53Å; W931-M1041 HydrophobicContact CZ2-CG 3.54Å; W931-M1041 HydrophobicContact CZ2-SD 4.41Å; W931-M1041 HydrophobicContact CZ3-CE 4.44Å; W931-M1041 HydrophobicContact CZ3-CG 4.13Å; N960-M1041 HydrophobicContact CB-CE 3.95Å; V962-M1041 HydrophobicContact CG2-CB 4.3Å; V962-M1041 HydrophobicContact CG2-SD 3.56Å; V962-M1041 VanDerWaalsContact CG2-SD 3.56Å; I986-M1041 HydrophobicContact CB-CB 4.3Å; I986-M1041 PolarHBondContact N-O 3.08Å; I986-M1041 PolarHBondContact O-N 3.29Å; L988-M1041 HydrophobicContact CD1-CB 4.08Å; L988-M1041 HydrophobicContact CD2-CB 4.08Å; L988-M1041 HydrophobicContact CG-CB 4.26Å
1042V97.5Very high95.9Very high13 Ų1331 Ų318%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-112.6142-176.4-175.30000110.2N960 F961 V963 T983 V984 I1040 F1044N960-V1042 WeakPolarHBondContact CA-O 3Å; F961-V1042 HydrophobicContact CD2-CB 4.4Å; F961-V1042 HydrophobicContact CE1-CB 4.21Å; F961-V1042 HydrophobicContact CE1-CG1 4.09Å; F961-V1042 HydrophobicContact CE2-CB 3.99Å; F961-V1042 HydrophobicContact CE2-CG1 4.29Å; F961-V1042 HydrophobicContact CE2-CG2 4.45Å; F961-V1042 HydrophobicContact CZ-CB 3.88Å; F961-V1042 HydrophobicContact CZ-CG1 3.73Å; F961-V1042 PolarHBondContact N-O 2.97Å; F961-V1042 PolarHBondContact O-N 3.25Å; V963-V1042 HydrophobicContact CG2-CG2 4.16Å; T983-V1042 HydrophobicContact CG2-CG1 4.04Å; V984-V1042 CarbonylContact O-C 3.58Å; V984-V1042 VanDerWaalsContact O-CA 3.32Å; V984-V1042 WeakPolarHBondContact O-CA 3.34Å; I1040-V1042 HydrophobicContact CD1-CG2 3.68Å; I1040-V1042 HydrophobicContact CG1-CG2 3.99Å; V1042-F1044 HydrophobicContact CG1-CD1 4.05Å; V1042-F1044 HydrophobicContact CG1-CE1 3.68Å
1043S97.6Very high95.9Very high1 Ų125.1 Ų25.11%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-139.7122.3173.9-61.20000111.4W931 M959 N960 T983 V984 V1045W931-S1043 WeakPolarHBondContact CZ2-OG 3.43Å; W931-S1043 PolarHBondContact NE1-OG 3.3Å; M959-S1043 WeakPolarHBondContact O-CA 3.36Å; N960-S1043 PolarHBondContact OD1-OG 2.85Å; T983-S1043 WeakPolarHBondContact CA-O 3.31Å; V984-S1043 PolarHBondContact N-O 2.84Å; V984-S1043 PolarHBondContact O-N 2.86Å; S1043-V1045 PolarHBondContact O-N 3.25Å
1044F95.6Very high95.9Very high27 Ų2726.9 Ų26.912%0.11817%0.169CC..EExtended strand (participates in β ladder)trans-91.1100.4173.9-67.8-10.1000109.3A957 M959 F961 D978 A979 T983 V1042A957-F1044 WeakPolarHBondContact CA-O 3.39Å; A957-F1044 WeakPolarHBondContact CB-O 3.44Å; M959-F1044 HydrophobicContact CB-CB 4.13Å; M959-F1044 HydrophobicContact CB-CD2 3.75Å; M959-F1044 HydrophobicContact CB-CG 4.17Å; M959-F1044 HydrophobicContact CG-CD2 4.02Å; M959-F1044 PolarHBondContact O-N 2.93Å; F961-F1044 HydrophobicContact CE1-CD2 4.43Å; F961-F1044 HydrophobicContact CE1-CE1 4.48Å; F961-F1044 HydrophobicContact CE1-CE2 4.26Å; F961-F1044 HydrophobicContact CE1-CZ 4.29Å; F961-F1044 HydrophobicContact CZ-CE1 4.25Å; F961-F1044 HydrophobicContact CZ-CE2 4.23Å; F961-F1044 AromaticContact CZ-CZ 3.93Å; F961-F1044 HydrophobicContact CZ-CZ 3.93Å; D978-F1044 HydrophobicContact CB-CD1 3.87Å; D978-F1044 HydrophobicContact CB-CE1 3.63Å; D978-F1044 HydrophobicContact CB-CE2 4.4Å; D978-F1044 HydrophobicContact CB-CG 4.36Å; D978-F1044 HydrophobicContact CB-CZ 3.92Å; D978-F1044 VanDerWaalsContact OD1-CE1 3.29Å; D978-F1044 WeakPolarHBondContact OD1-CE1 3.39Å; D978-F1044 WeakPolarHBondContact OD1-CZ 3.21Å; A979-F1044 HydrophobicContact CB-CD2 4.45Å; T983-F1044 HydrophobicContact CG2-CD1 3.94Å; T983-F1044 HydrophobicContact CG2-CE1 4.03Å; V1042-F1044 HydrophobicContact CG1-CD1 4.05Å; V1042-F1044 HydrophobicContact CG1-CE1 3.68Å
1045V95.9Very high95.9Very high0 Ų022.6 Ų22.60%014%0.144CC..EExtended strand (participates in β ladder)trans-100.9139.2-170.6-160.80000111.7L935 P955 K956 A957 S980 T981 Y982 V984 S1043L935-V1045 HydrophobicContact CD1-CG2 4.22Å; L935-V1045 HydrophobicContact CD2-CG2 4.47Å; P955-V1045 HydrophobicContact CB-CG1 3.72Å; K956-V1045 CarbonylContact O-C 3.59Å; K956-V1045 WeakPolarHBondContact O-CA 3.43Å; A957-V1045 HydrophobicContact CB-CG2 4.38Å; S980-V1045 WeakPolarHBondContact CB-O 3.38Å; T981-V1045 PolarHBondContact N-O 3.08Å; Y982-V1045 HydrophobicContact CD1-CB 4.17Å; Y982-V1045 HydrophobicContact CD2-CB 4.22Å; Y982-V1045 HydrophobicContact CD2-CG2 4.44Å; Y982-V1045 HydrophobicContact CE1-CB 3.73Å; Y982-V1045 HydrophobicContact CE1-CG1 3.66Å; Y982-V1045 HydrophobicContact CE2-CB 3.81Å; Y982-V1045 HydrophobicContact CE2-CG1 4.17Å; Y982-V1045 HydrophobicContact CE2-CG2 3.93Å; Y982-V1045 HydrophobicContact CG-CB 4.4Å; Y982-V1045 VanDerWaalsContact CZ-CG1 3.45Å; Y982-V1045 PolarHBondContact N-O 3.37Å; Y982-V1045 WeakPolarHBondContact O-CA 3.46Å; Y982-V1045 WeakPolarHBondContact O-CB 3.4Å; Y982-V1045 PolarHBondContact O-N 2.79Å; Y982-V1045 WeakPolarHBondContact OH-CG1 3.25Å; V984-V1045 HydrophobicContact CG2-CG2 4.29Å; S1043-V1045 PolarHBondContact O-N 3.25Å
1046D92.8Very high95.9Very high15 Ų1519.8 Ų19.88%0.0812%0.122CC..  trans46.966.2-170-60.5-42.1000112.5Y950 S952 K956 T981Y950-D1046 VanDerWaalsContact OH-CB 3.27Å; Y950-D1046 WeakPolarHBondContact OH-CB 3.47Å; Y950-D1046 PolarHBondContact OH-OD2 3.24Å; S952-D1046 WeakPolarHBondContact CB-OD2 3.25Å; S952-D1046 VanDerWaalsContact OG-CG 3.23Å; S952-D1046 PolarHBondContact OG-OD1 3.1Å; S952-D1046 PolarHBondContact OG-OD2 2.82Å; K956-D1046 PolarHBondContact N-OD1 3.13Å; K956-D1046 WeakPolarHBondContact O-CA 3.42Å; K956-D1046 PolarHBondContact O-N 2.89Å; T981-D1046 WeakPolarHBondContact CB-O 3.34Å; T981-D1046 PolarHBondContact N-O 2.71Å; T981-D1046 PolarHBondContact OG1-O 2.73Å
1047P87.5Confident95.8Very high76 Ų7618.5 Ų18.549%0.49410%0.103SC..  trans-66.40179.130.4-37.5000113.9K956 L958 A979 R1023K956-P1047 VanDerWaalsContact O-CD 3.3Å; K956-P1047 WeakPolarHBondContact O-CD 3.32Å; L958-P1047 HydrophobicContact CD1-CG 4.26Å; L958-P1047 HydrophobicContact CG-CG 4.29Å; A979-P1047 WeakPolarHBondContact O-CA 3.47Å; A979-P1047 WeakPolarHBondContact O-CB 3.49Å; R1023-P1047 PolarHBondContact NH1-OXT 2.94Å; R1023-P1047 PolarHBondContact NH2-OXT 3.46Å

Retrieved 1,047 of 1,047 residues in 325.2 ms (Link to these results)

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