A0A3Q0KFI5_SCHMA Loading...

Pseudouridine synthase

Responsible for synthesis of pseudouridine from uracil.

AlphaFold DB , UniProt , Accession A0A3Q0KFI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 455 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
1M38.3Very low45.6Very low198 Ų198120.6 Ų120.698%0.97565%0.647SS**  0-39.90-97.6-165.9-96.200114.4C3 R5M1-C3 PolarHBondContact O-N 2.85Å; M1-R5 PolarHBondContact O-N 3.15Å
2L36.6Very low47.1Very low151 Ų151114.7 Ų114.779%0.79163%0.626SS**Hα-helixtrans-60-43.9-179.2-84.8139.8000113.8A4 R5 T6L2-A4 PolarHBondContact O-N 3.14Å; L2-R5 PolarHBondContact O-N 3.33Å; L2-T6 PolarHBondContact O-N 3.38Å; L2-T6 PolarHBondContact O-OG1 3.15Å
3C40Very low48.6Very low98 Ų98110.5 Ų110.566%0.66261%0.611SS**Hα-helixtrans-64.6-37.4-177.6-152.60000113.7M1 T6 L7M1-C3 PolarHBondContact O-N 2.85Å; C3-T6 PolarHBondContact O-N 2.67Å; C3-L7 PolarHBondContact O-N 2.64Å
4A42.4Very low50.1Low65 Ų65108.9 Ų108.954%0.53761%0.605SS.*Hα-helixtrans-69.9-34.4179.400000113.1L2 C8L2-A4 PolarHBondContact O-N 3.14Å; A4-C8 WeakPolarHBondContact O-CB 3.46Å; A4-C8 PolarHBondContact O-N 2.93Å; A4-C8 VanDerWaalsContact O-N 3.09Å
5R39.2Very low51Low181 Ų181107.3 Ų107.368%0.68360%0.595SS**Hα-helixtrans-68.7-38.7176.4-75.7-174.9175.8179.30.2111.6M1 L2 K9M1-R5 PolarHBondContact O-N 3.15Å; L2-R5 PolarHBondContact O-N 3.33Å; R5-K9 WeakPolarHBondContact O-CG 3.35Å; R5-K9 PolarHBondContact O-N 3.24Å
6T45.7Very low52.6Low94 Ų94108.3 Ų108.358%0.57760%0.599SS**Hα-helixtrans-67.4-43.8178.8-37.30000111.3L2 C3 K9 T10L2-T6 PolarHBondContact O-N 3.38Å; L2-T6 PolarHBondContact O-OG1 3.15Å; C3-T6 PolarHBondContact O-N 2.67Å; T6-K9 PolarHBondContact O-N 3.13Å; T6-T10 PolarHBondContact O-N 3.35Å; T6-T10 PolarHBondContact O-OG1 2.95Å
7L44.2Very low54.1Low104 Ų104110.6 Ų110.655%0.54561%0.61SS.*Hα-helixtrans-63.9-41.4176.6-113.3114.5000113C3 K9 T10 L11C3-L7 PolarHBondContact O-N 2.64Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 2.67Å; L7-T10 WeakPolarHBondContact CA-OG1 3.49Å; L7-T10 PolarHBondContact O-N 3.07Å; L7-T10 PolarHBondContact O-OG1 3.19Å; L7-L11 HydrophobicContact CD2-CD1 4.4Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.41Å
8C48.4Very low55.6Low88 Ų88107.1 Ų107.160%0.59559%0.589SS**Hα-helixtrans-63.7-38.7177-84.60000112.4A4 A12A4-C8 WeakPolarHBondContact O-CB 3.46Å; A4-C8 PolarHBondContact O-N 2.93Å; A4-C8 VanDerWaalsContact O-N 3.09Å; C8-A12 VanDerWaalsContact O-CB 3.29Å; C8-A12 WeakPolarHBondContact O-CB 3.28Å; C8-A12 PolarHBondContact O-N 2.98Å
9K50.2Low57.1Low165 Ų165105.7 Ų105.772%0.71758%0.581SS**Hα-helixtrans-67.3-39.6178-74.4-176.2179-173.80112.5R5 T6 L7 S13R5-K9 WeakPolarHBondContact O-CG 3.35Å; R5-K9 PolarHBondContact O-N 3.24Å; T6-K9 PolarHBondContact O-N 3.13Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 2.67Å; K9-S13 PolarHBondContact O-N 3.45Å; K9-S13 VanDerWaalsContact O-N 3.08Å
10T58.4Low58.3Low81 Ų81110.3 Ų110.350%0.49760%0.595SS.*Hα-helixtrans-68.6-42.7176.612.70000111.7T6 L7 A12 S13 V14T6-T10 PolarHBondContact O-N 3.35Å; T6-T10 PolarHBondContact O-OG1 2.95Å; L7-T10 WeakPolarHBondContact CA-OG1 3.49Å; L7-T10 PolarHBondContact O-N 3.07Å; L7-T10 PolarHBondContact O-OG1 3.19Å; T10-A12 VanDerWaalsContact C-N 3.34Å; T10-A12 PolarHBondContact O-N 2.86Å; T10-S13 PolarHBondContact O-N 3.32Å; T10-S13 PolarHBondContact O-OG 3.14Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.46Å; T10-V14 PolarHBondContact O-N 3.41Å; T10-V14 VanDerWaalsContact O-N 3.12Å
11L58Low59.6Low102 Ų102114.3 Ų114.353%0.53460%0.601SS.*Hα-helixtrans-64-39.1175.7-78.5163.4000112.2L7 L15L7-L11 HydrophobicContact CD2-CD1 4.4Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.41Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.71Å; L11-L15 PolarHBondContact O-N 2.71Å
12A64.1Low61.7Low49 Ų49109 Ų10941%0.40557%0.574SS.*Hα-helixtrans-66-39.6177.200000112.6C8 T10 L15 N16C8-A12 VanDerWaalsContact O-CB 3.29Å; C8-A12 WeakPolarHBondContact O-CB 3.28Å; C8-A12 PolarHBondContact O-N 2.98Å; T10-A12 VanDerWaalsContact C-N 3.34Å; T10-A12 PolarHBondContact O-N 2.86Å; A12-L15 PolarHBondContact O-N 2.64Å; A12-N16 PolarHBondContact O-N 2.93Å
13S67Low63.9Low60 Ų60105.6 Ų105.642%0.4255%0.553SS.*Hα-helixtrans-67.8-41.8177.874.10000112.1K9 T10 N16 N17K9-S13 PolarHBondContact O-N 3.45Å; K9-S13 VanDerWaalsContact O-N 3.08Å; T10-S13 PolarHBondContact O-N 3.32Å; T10-S13 PolarHBondContact O-OG 3.14Å; S13-N16 PolarHBondContact O-N 2.94Å; S13-N17 PolarHBondContact O-N 3.42Å
14V68.5Low66.1Low88 Ų88107.2 Ų107.253%0.53355%0.548SS..Hα-helixtrans-62.1-44.6175.3174.10000110.6T10 N16 N17 M18T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.46Å; T10-V14 PolarHBondContact O-N 3.41Å; T10-V14 VanDerWaalsContact O-N 3.12Å; V14-N16 VanDerWaalsContact C-N 3.3Å; V14-N16 PolarHBondContact O-N 3.24Å; V14-N17 PolarHBondContact O-N 2.84Å; V14-M18 WeakPolarHBondContact O-CG 3.19Å
15L64.7Low68.2Low86 Ų86108.2 Ų108.245%0.4555%0.545SS..Hα-helixtrans-62.6-35.4176.4-77.4167.3000112.2L11 A12 M18 K23L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.71Å; L11-L15 PolarHBondContact O-N 2.71Å; A12-L15 PolarHBondContact O-N 2.64Å; L15-M18 HydrophobicContact CD2-SD 4.14Å; L15-M18 PolarHBondContact O-N 3.42Å; L15-K23 WeakPolarHBondContact O-CE 3.49Å; L15-K23 PolarHBondContact O-NZ 3.18Å
16N75.6Confident70.4Confident123 Ų123101.2 Ų101.266%0.65853%0.526SS*.Hα-helixtrans-67.6-35-179.6-80.7-15.7000113.3A12 S13 V14 M18A12-N16 PolarHBondContact O-N 2.93Å; S13-N16 PolarHBondContact O-N 2.94Å; V14-N16 VanDerWaalsContact C-N 3.3Å; V14-N16 PolarHBondContact O-N 3.24Å; N16-M18 VanDerWaalsContact C-N 3.3Å; N16-M18 PolarHBondContact O-N 2.89Å
17N78.9Confident72.3Confident148 Ų148104.5 Ų104.579%0.79153%0.532SS*.Hα-helixtrans-77.5-9.8-179.8-72.1-11.3000114.5S13 V14S13-N17 PolarHBondContact O-N 3.42Å; V14-N17 PolarHBondContact O-N 2.84Å
18M80.8Confident74.2Confident47 Ų47105.8 Ų105.823%0.23253%0.534CS..SBendtrans-78.7135.5-179.1-68.217395.100112.3V14 L15 N16 E22 K23 A26V14-M18 WeakPolarHBondContact O-CG 3.19Å; L15-M18 HydrophobicContact CD2-SD 4.14Å; L15-M18 PolarHBondContact O-N 3.42Å; N16-M18 VanDerWaalsContact C-N 3.3Å; N16-M18 PolarHBondContact O-N 2.89Å; M18-E22 VanDerWaalsContact CA-OE2 3.29Å; M18-E22 WeakPolarHBondContact CA-OE2 3.43Å; M18-E22 HydrophobicContact CB-CB 3.86Å; M18-E22 HydrophobicContact CE-CB 3.78Å; M18-E22 HydrophobicContact CG-CB 4.24Å; M18-K23 HydrophobicContact CB-CG 3.71Å; M18-K23 WeakPolarHBondContact O-CE 3.28Å; M18-K23 PolarHBondContact O-NZ 3.29Å; M18-A26 HydrophobicContact CE-CB 3.68Å
19N84.5Confident76Confident81 Ų81104.5 Ų104.543%0.43353%0.529SS..  trans-67.1165.3171.569.344.6000111.4R21 E22 K23N19-R21 PolarHBondContact O-N 2.86Å; N19-R21 VanDerWaalsContact O-N 3.14Å; N19-R21 WeakPolarHBondContact OD1-CB 3.43Å; N19-R21 PolarHBondContact OD1-N 2.97Å; N19-R21 VanDerWaalsContact OD1-N 3.07Å; N19-E22 VanDerWaalsContact CG-CD 3.41Å; N19-E22 PolarHBondContact N-OE2 2.93Å; N19-E22 PolarHBondContact ND2-OE1 3.03Å; N19-E22 PolarHBondContact ND2-OE2 3.04Å; N19-E22 PolarHBondContact O-N 3.34Å; N19-E22 WeakPolarHBondContact OD1-CB 3.36Å; N19-E22 WeakPolarHBondContact OD1-CG 3.45Å; N19-E22 PolarHBondContact OD1-N 3.22Å; N19-K23 PolarHBondContact O-N 3.39Å
20K81.5Confident77.7Confident197 Ų19799 Ų9986%0.85752%0.515SS*.Hα-helixtrans-54.7-35.1-177.7-79.5-175.5179.5176.30112.9K24K20-K24 WeakPolarHBondContact O-CB 3.21Å; K20-K24 PolarHBondContact O-N 3Å; K20-K24 VanDerWaalsContact O-N 3.15Å
21R83.8Confident79Confident195 Ų19598 Ų9874%0.73651%0.514SS*.Hα-helixtrans-73.3-43.5-179.4-173.1178179.8178.7-1.3111.4N19 K24 N25N19-R21 PolarHBondContact O-N 2.86Å; N19-R21 VanDerWaalsContact O-N 3.14Å; N19-R21 WeakPolarHBondContact OD1-CB 3.43Å; N19-R21 PolarHBondContact OD1-N 2.97Å; N19-R21 VanDerWaalsContact OD1-N 3.07Å; R21-K24 PolarHBondContact O-N 2.93Å; R21-N25 PolarHBondContact O-N 3.21Å
22E84Confident80.4Confident87 Ų87100.1 Ų100.141%0.40752%0.519SS..Hα-helixtrans-61.3-47.1174.5-75.9162.2-17400111.4M18 N19 K24 N25 A26M18-E22 VanDerWaalsContact CA-OE2 3.29Å; M18-E22 WeakPolarHBondContact CA-OE2 3.43Å; M18-E22 HydrophobicContact CB-CB 3.86Å; M18-E22 HydrophobicContact CE-CB 3.78Å; M18-E22 HydrophobicContact CG-CB 4.24Å; N19-E22 VanDerWaalsContact CG-CD 3.41Å; N19-E22 PolarHBondContact N-OE2 2.93Å; N19-E22 PolarHBondContact ND2-OE1 3.03Å; N19-E22 PolarHBondContact ND2-OE2 3.04Å; N19-E22 PolarHBondContact O-N 3.34Å; N19-E22 WeakPolarHBondContact OD1-CB 3.36Å; N19-E22 WeakPolarHBondContact OD1-CG 3.45Å; N19-E22 PolarHBondContact OD1-N 3.22Å; E22-K24 VanDerWaalsContact C-N 3.29Å; E22-K24 PolarHBondContact O-N 3.44Å; E22-N25 PolarHBondContact O-N 3Å; E22-N25 VanDerWaalsContact O-N 3.16Å; E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 3.01Å
23K82.6Confident81.3Confident78 Ų78100.5 Ų100.534%0.33952%0.522SS..Hα-helixtrans-56.3-43.2173.9-74.2176.7173.9163.60111.8L15 M18 N19 K27L15-K23 WeakPolarHBondContact O-CE 3.49Å; L15-K23 PolarHBondContact O-NZ 3.18Å; M18-K23 HydrophobicContact CB-CG 3.71Å; M18-K23 WeakPolarHBondContact O-CE 3.28Å; M18-K23 PolarHBondContact O-NZ 3.29Å; N19-K23 PolarHBondContact O-N 3.39Å; K23-K27 WeakPolarHBondContact O-CB 3.33Å; K23-K27 WeakPolarHBondContact O-CG 3.31Å; K23-K27 PolarHBondContact O-N 3.29Å
24K84.7Confident82.1Confident132 Ų132103.7 Ų103.757%0.57453%0.532SS*.Hα-helixtrans-65.6-42.5177.3-172.9176.6-178.6176.30111.7K20 R21 E22 K28K20-K24 WeakPolarHBondContact O-CB 3.21Å; K20-K24 PolarHBondContact O-N 3Å; K20-K24 VanDerWaalsContact O-N 3.15Å; R21-K24 PolarHBondContact O-N 2.93Å; E22-K24 VanDerWaalsContact C-N 3.29Å; E22-K24 PolarHBondContact O-N 3.44Å; K24-K28 WeakPolarHBondContact O-CG 3.34Å; K24-K28 PolarHBondContact O-N 3.46Å
25N87.7Confident82.8Confident86 Ų86103.7 Ų103.746%0.4653%0.529SS..Hα-helixtrans-67.3-42.5177.6-75.3-9.8000112R21 E22 K28 A29R21-N25 PolarHBondContact O-N 3.21Å; E22-N25 PolarHBondContact O-N 3Å; E22-N25 VanDerWaalsContact O-N 3.16Å; N25-K28 PolarHBondContact O-N 3.24Å; N25-A29 WeakPolarHBondContact O-CB 3.3Å; N25-A29 PolarHBondContact O-N 3.44Å
26A84.4Confident83.6Confident35 Ų35103.1 Ų103.129%0.28953%0.525SS..Hα-helixtrans-62.4-43.8175.200000111.7M18 E22 K28 A29 A30M18-A26 HydrophobicContact CE-CB 3.68Å; E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 3.01Å; A26-K28 PolarHBondContact O-N 3.3Å; A26-A29 PolarHBondContact O-N 3.44Å; A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.49Å
27K85.7Confident83.8Confident163 Ų163103.6 Ų103.671%0.70952%0.521SS*.Hα-helixtrans-60.3-43.3172.9-76.8-177.1179.7-172.70112.1K23 A31K23-K27 WeakPolarHBondContact O-CB 3.33Å; K23-K27 WeakPolarHBondContact O-CG 3.31Å; K23-K27 PolarHBondContact O-N 3.29Å; K27-A31 VanDerWaalsContact O-CB 3.3Å; K27-A31 WeakPolarHBondContact O-CB 3.49Å; K27-A31 PolarHBondContact O-N 3.06Å
28K85.8Confident83.8Confident131 Ų131103.7 Ų103.757%0.5752%0.515SS*.Hα-helixtrans-64.8-43.1176.1-77.9-176.8174.5-168.90112.3K24 N25 A26 A31 K32K24-K28 WeakPolarHBondContact O-CG 3.34Å; K24-K28 PolarHBondContact O-N 3.46Å; N25-K28 PolarHBondContact O-N 3.24Å; A26-K28 PolarHBondContact O-N 3.3Å; K28-A31 PolarHBondContact O-N 2.95Å; K28-K32 WeakPolarHBondContact O-CB 3.3Å; K28-K32 PolarHBondContact O-N 3Å
29A85.8Confident83.7Confident61 Ų61109.9 Ų109.950%0.50454%0.536SS..Hα-helixtrans-63.9-44.517700000111.2N25 A26 K32 A33N25-A29 WeakPolarHBondContact O-CB 3.3Å; N25-A29 PolarHBondContact O-N 3.44Å; A26-A29 PolarHBondContact O-N 3.44Å; A29-K32 PolarHBondContact O-N 3.29Å; A29-A33 VanDerWaalsContact O-CB 3.28Å; A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 3.44Å
30A85.6Confident83.3Confident50 Ų50111 Ų11141%0.41354%0.539SS..Hα-helixtrans-62.2-45.2174.900000111.9A26 A33 M34A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.49Å; A30-A33 PolarHBondContact O-N 2.87Å; A30-M34 WeakPolarHBondContact O-CB 3.42Å; A30-M34 WeakPolarHBondContact O-CG 3.48Å; A30-M34 PolarHBondContact O-N 2.91Å
31A86.4Confident83Confident59 Ų59106.8 Ų106.849%0.48852%0.522SS..Hα-helixtrans-63.1-4217600000112.3K27 K28 M34 L35K27-A31 VanDerWaalsContact O-CB 3.3Å; K27-A31 WeakPolarHBondContact O-CB 3.49Å; K27-A31 PolarHBondContact O-N 3.06Å; K28-A31 PolarHBondContact O-N 2.95Å; A31-M34 PolarHBondContact O-N 2.87Å; A31-L35 WeakPolarHBondContact O-CB 3.3Å; A31-L35 PolarHBondContact O-N 3.04Å
32K86.1Confident82.6Confident147 Ų147105.3 Ų105.364%0.63952%0.52SS*.Hα-helixtrans-64.5-45175.4-173.8179.2179-177.10111.3K28 A29 L35 I36K28-K32 WeakPolarHBondContact O-CB 3.3Å; K28-K32 PolarHBondContact O-N 3Å; A29-K32 PolarHBondContact O-N 3.29Å; K32-L35 PolarHBondContact O-N 2.88Å; K32-I36 HydrophobicContact CG-CD1 3.99Å; K32-I36 VanDerWaalsContact O-CG1 3.3Å; K32-I36 WeakPolarHBondContact O-CG1 3.19Å; K32-I36 PolarHBondContact O-N 2.89Å
33A83.3Confident82.1Confident57 Ų57110.5 Ų110.547%0.47154%0.536SS..Hα-helixtrans-61.9-43.8176.200000111.5A29 A30 L35 I36 K37A29-A33 VanDerWaalsContact O-CB 3.28Å; A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 3.44Å; A30-A33 PolarHBondContact O-N 2.87Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 2.8Å; A33-I36 PolarHBondContact O-N 2.98Å; A33-K37 VanDerWaalsContact O-CB 3.32Å; A33-K37 WeakPolarHBondContact O-CB 3.4Å; A33-K37 PolarHBondContact O-N 3.47Å
34M83.1Confident81.8Confident127 Ų127111.7 Ų111.763%0.62654%0.539SS*.Hα-helixtrans-60.8-41.8173.4-77.7-174.4-176.400112.2A30 A31 K37 K38A30-M34 WeakPolarHBondContact O-CB 3.42Å; A30-M34 WeakPolarHBondContact O-CG 3.48Å; A30-M34 PolarHBondContact O-N 2.91Å; A31-M34 PolarHBondContact O-N 2.87Å; M34-K37 PolarHBondContact O-N 3.43Å; M34-K38 WeakPolarHBondContact O-CB 3.25Å; M34-K38 WeakPolarHBondContact O-CG 3.47Å; M34-K38 PolarHBondContact O-N 3.36Å
35L84.4Confident81Confident87 Ų87109.6 Ų109.646%0.45553%0.534SS..Hα-helixtrans-68-41.1179.1-167.4118000112A31 K32 A33 K38 R39A31-L35 WeakPolarHBondContact O-CB 3.3Å; A31-L35 PolarHBondContact O-N 3.04Å; K32-L35 PolarHBondContact O-N 2.88Å; A33-L35 VanDerWaalsContact C-N 3.35Å; A33-L35 PolarHBondContact O-N 2.8Å; L35-K38 PolarHBondContact O-N 3.16Å; L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 WeakPolarHBondContact O-CG 3.39Å; L35-R39 PolarHBondContact O-N 2.98Å
36I81.3Confident80.1Confident74 Ų74108.8 Ų108.838%0.37954%0.538SS..Hα-helixtrans-62.3-47.7173.4-68.8167.1000110K32 A33 K38 R39 Q40K32-I36 HydrophobicContact CG-CD1 3.99Å; K32-I36 VanDerWaalsContact O-CG1 3.3Å; K32-I36 WeakPolarHBondContact O-CG1 3.19Å; K32-I36 PolarHBondContact O-N 2.89Å; A33-I36 PolarHBondContact O-N 2.98Å; I36-K38 PolarHBondContact O-N 3.24Å; I36-R39 PolarHBondContact O-N 3.33Å; I36-Q40 HydrophobicContact CG2-CG 4.33Å; I36-Q40 WeakPolarHBondContact O-CB 3.34Å; I36-Q40 WeakPolarHBondContact O-CG 3.43Å; I36-Q40 PolarHBondContact O-N 2.82Å
37K80Confident79.6Confident133 Ų133111.1 Ų111.158%0.57855%0.549SS*.Hα-helixtrans-57.8-48.3177.1-172.4174.5-179.4173.10111.3A33 M34 R39 Q40 E41A33-K37 VanDerWaalsContact O-CB 3.32Å; A33-K37 WeakPolarHBondContact O-CB 3.4Å; A33-K37 PolarHBondContact O-N 3.47Å; M34-K37 PolarHBondContact O-N 3.43Å; K37-R39 VanDerWaalsContact C-N 3.35Å; K37-R39 PolarHBondContact O-N 3.26Å; K37-Q40 PolarHBondContact O-N 3.45Å; K37-E41 VanDerWaalsContact O-CB 3.29Å; K37-E41 WeakPolarHBondContact O-CB 3.37Å; K37-E41 PolarHBondContact O-N 3.38Å
38K78.4Confident79.1Confident151 Ų151104.8 Ų104.866%0.65752%0.523SS*.Hα-helixtrans-59.4-40.8175.7-78.5-176.5176.7-1730112.8M34 L35 I36 K42M34-K38 WeakPolarHBondContact O-CB 3.25Å; M34-K38 WeakPolarHBondContact O-CG 3.47Å; M34-K38 PolarHBondContact O-N 3.36Å; L35-K38 PolarHBondContact O-N 3.16Å; I36-K38 PolarHBondContact O-N 3.24Å; K38-K42 WeakPolarHBondContact O-CB 3.3Å; K38-K42 PolarHBondContact O-N 3.32Å
39R79.4Confident78.7Confident177 Ų177100.7 Ų100.767%0.66851%0.506SS*.Hα-helixtrans-67.9-42.8177.1-76.8178.3176.6-178.3-1.3111.9L35 I36 K37 K42 R43L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 WeakPolarHBondContact O-CG 3.39Å; L35-R39 PolarHBondContact O-N 2.98Å; I36-R39 PolarHBondContact O-N 3.33Å; K37-R39 VanDerWaalsContact C-N 3.35Å; K37-R39 PolarHBondContact O-N 3.26Å; R39-K42 PolarHBondContact O-N 3.38Å; R39-R43 WeakPolarHBondContact O-CB 3.4Å; R39-R43 PolarHBondContact O-N 3.15Å
40Q75.4Confident78Confident105 Ų105101.9 Ų101.949%0.49151%0.506SS..Hα-helixtrans-63.5-44.2175.9-74.5175.4-16.900111.3I36 K37 R43 R44I36-Q40 HydrophobicContact CG2-CG 4.33Å; I36-Q40 WeakPolarHBondContact O-CB 3.34Å; I36-Q40 WeakPolarHBondContact O-CG 3.43Å; I36-Q40 PolarHBondContact O-N 2.82Å; K37-Q40 PolarHBondContact O-N 3.45Å; Q40-R43 PolarHBondContact O-N 3.21Å; Q40-R44 WeakPolarHBondContact O-CB 3.4Å; Q40-R44 VanDerWaalsContact O-CG 3.3Å; Q40-R44 WeakPolarHBondContact O-CG 3.29Å; Q40-R44 PolarHBondContact O-N 3.38Å
41E76Confident77.2Confident107 Ų107101.5 Ų101.550%0.550%0.496SS..Hα-helixtrans-60.7-46.7175-174.4178.9-179.200111.6K37 R43 R44 L45K37-E41 VanDerWaalsContact O-CB 3.29Å; K37-E41 WeakPolarHBondContact O-CB 3.37Å; K37-E41 PolarHBondContact O-N 3.38Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3.02Å; E41-R44 PolarHBondContact O-N 3.08Å; E41-L45 HydrophobicContact CG-CD1 4.22Å; E41-L45 WeakPolarHBondContact O-CB 3.46Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 2.96Å
42K75.2Confident76.8Confident164 Ų164101.3 Ų101.371%0.71348%0.483SS*.Hα-helixtrans-59.8-41.4175.3-173177-179.5-179.60112.1K38 R39 A46K38-K42 WeakPolarHBondContact O-CB 3.3Å; K38-K42 PolarHBondContact O-N 3.32Å; R39-K42 PolarHBondContact O-N 3.38Å; K42-A46 WeakPolarHBondContact O-CB 3.24Å; K42-A46 PolarHBondContact O-N 3.03Å; K42-A46 VanDerWaalsContact O-N 3.12Å
43R73.8Confident76.5Confident196 Ų196100.3 Ų100.374%0.7448%0.48SS*.Hα-helixtrans-65.3-44.5177.5-172.8177.5-179.9179.40.3111.5R39 Q40 E41 A46 T47R39-R43 WeakPolarHBondContact O-CB 3.4Å; R39-R43 PolarHBondContact O-N 3.15Å; Q40-R43 PolarHBondContact O-N 3.21Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3.02Å; R43-A46 PolarHBondContact O-N 2.97Å; R43-T47 PolarHBondContact O-N 3Å; R43-T47 PolarHBondContact O-OG1 3.46Å
44R74.6Confident76.5Confident103 Ų103100.5 Ų100.539%0.38947%0.473SS..Hα-helixtrans-59.6-47.7175.3-78.2170.2177.8-165.53.6111.8Q40 E41 A46 T47 D48 Y79Q40-R44 WeakPolarHBondContact O-CB 3.4Å; Q40-R44 VanDerWaalsContact O-CG 3.3Å; Q40-R44 WeakPolarHBondContact O-CG 3.29Å; Q40-R44 PolarHBondContact O-N 3.38Å; E41-R44 PolarHBondContact O-N 3.08Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 3.06Å; R44-T47 PolarHBondContact O-N 3.47Å; R44-T47 VanDerWaalsContact O-N 3.17Å; R44-T47 PolarHBondContact O-OG1 3.22Å; R44-T47 VanDerWaalsContact O-OG1 3.12Å; R44-D48 WeakPolarHBondContact O-CB 3.39Å; R44-D48 PolarHBondContact O-N 2.81Å; R44-Y79 HydrophobicContact CB-CE2 4.27Å; R44-Y79 VanDerWaalsContact CB-OH 3.31Å; R44-Y79 WeakPolarHBondContact CB-OH 3.29Å; R44-Y79 VanDerWaalsContact CD-OH 3.26Å; R44-Y79 WeakPolarHBondContact CD-OH 3.28Å; R44-Y79 VanDerWaalsContact CG-OH 3.29Å; R44-Y79 WeakPolarHBondContact CG-OH 3.45Å
45L68.4Low76.6Confident89 Ų8995.5 Ų95.547%0.46645%0.451SS..Hα-helixtrans-59.7-41178.2-73.1170.7000112.2E41 T47 F49E41-L45 HydrophobicContact CG-CD1 4.22Å; E41-L45 WeakPolarHBondContact O-CB 3.46Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 2.96Å; L45-T47 VanDerWaalsContact C-N 3.26Å; L45-T47 PolarHBondContact O-N 3.44Å; L45-F49 HydrophobicContact CD2-CD2 3.86Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å
46A69.7Low76.8Confident68 Ų6895.8 Ų95.856%0.56246%0.46SS*.Hα-helixtrans-68.7-20.4179.700000114K42 R43 R44 V50K42-A46 WeakPolarHBondContact O-CB 3.24Å; K42-A46 PolarHBondContact O-N 3.03Å; K42-A46 VanDerWaalsContact O-N 3.12Å; R43-A46 PolarHBondContact O-N 2.97Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 3.06Å; A46-V50 WeakPolarHBondContact O-CG2 3.28Å
47T73.6Confident77.3Confident85 Ų8594.6 Ų94.652%0.52145%0.454SS..Hα-helixtrans-104-43.2-179.853.70000112.7R43 R44 L45 F49R43-T47 PolarHBondContact O-N 3Å; R43-T47 PolarHBondContact O-OG1 3.46Å; R44-T47 PolarHBondContact O-N 3.47Å; R44-T47 VanDerWaalsContact O-N 3.17Å; R44-T47 PolarHBondContact O-OG1 3.22Å; R44-T47 VanDerWaalsContact O-OG1 3.12Å; L45-T47 VanDerWaalsContact C-N 3.26Å; L45-T47 PolarHBondContact O-N 3.44Å; T47-F49 PolarHBondContact O-N 3.44Å
48D74.5Confident78Confident30 Ų3088.5 Ų88.516%0.1643%0.429CS..Hα-helixtrans-78.9-28.9-164.7-59.1-21.1000112.1R44 H51 K77 Y79 L132R44-D48 WeakPolarHBondContact O-CB 3.39Å; R44-D48 PolarHBondContact O-N 2.81Å; D48-H51 PolarHBondContact O-CE1 3.47Å; D48-H51 PolarHBondContact O-ND1 3.18Å; D48-K77 WeakPolarHBondContact O-CD 3.49Å; D48-K77 PolarHBondContact O-NZ 2.98Å; D48-Y79 PolarHBondContact OD2-OH 2.89Å; D48-L132 HydrophobicContact CB-CD2 4.4Å
49F76.9Confident78.8Confident45 Ų4584 Ų8420%0.19741%0.412CS..THydrogen-bonded Turntrans-107.96.1-170.4-60.8-92.2000114.4L45 T47 H51 Y52 K77 Y79L45-F49 HydrophobicContact CD2-CD2 3.86Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å; T47-F49 PolarHBondContact O-N 3.44Å; F49-H51 PolarHBondContact O-N 3.12Å; F49-Y52 HydrophobicContact CB-CD2 3.98Å; F49-Y52 AromaticContact CD1-CD2 3.76Å; F49-Y52 HydrophobicContact CD1-CD2 3.76Å; F49-Y52 AromaticContact CD1-CE2 3.58Å; F49-Y52 HydrophobicContact CD1-CE2 3.58Å; F49-Y52 HydrophobicContact CE1-CE2 4.27Å; F49-Y52 HydrophobicContact CG-CD2 4.35Å; F49-Y52 WeakPolarHBondContact O-CB 3.32Å; F49-Y52 PolarHBondContact O-N 2.68Å; F49-K77 HydrophobicContact CE1-CB 4.15Å; F49-K77 WeakPolarHBondContact CE1-O 3.28Å; F49-Y79 HydrophobicContact CE2-CD2 4.07Å; F49-Y79 AromaticContact CE2-CE2 3.8Å; F49-Y79 HydrophobicContact CE2-CE2 3.8Å; F49-Y79 AromaticContact CZ-CD2 3.98Å; F49-Y79 HydrophobicContact CZ-CD2 3.98Å; F49-Y79 HydrophobicContact CZ-CE2 4.14Å
50V71.3Confident79.6Confident85 Ų8577.4 Ų77.452%0.51539%0.387SS..G310 helixtrans-52.3-36.8-178.1-1800000112.4A46 Y52 E53A46-V50 WeakPolarHBondContact O-CG2 3.28Å; V50-Y52 VanDerWaalsContact C-N 3.26Å; V50-Y52 PolarHBondContact O-N 3.42Å; V50-E53 PolarHBondContact O-N 3.32Å
51H70.1Confident80.6Confident43 Ų4374 Ų7420%0.19937%0.37CS..G310 helixtrans-65.3-22.7179.963.1-77.5000114.1D48 F49 E53 N54 V75D48-H51 PolarHBondContact O-CE1 3.47Å; D48-H51 PolarHBondContact O-ND1 3.18Å; F49-H51 PolarHBondContact O-N 3.12Å; H51-E53 PolarHBondContact O-N 2.98Å; H51-N54 WeakPolarHBondContact O-CB 3.34Å; H51-N54 PolarHBondContact O-N 2.79Å; H51-V75 PolarHBondContact CD2-O 3.05Å; H51-V75 PolarHBondContact NE2-O 3.44Å
52Y77Confident81.5Confident55 Ų5572.9 Ų72.922%0.21637%0.371CS..G310 helixtrans-67.8-17.8172.6-77.4-88.7000112.9F49 V50 F74 F76 K77 H182F49-Y52 HydrophobicContact CB-CD2 3.98Å; F49-Y52 AromaticContact CD1-CD2 3.76Å; F49-Y52 HydrophobicContact CD1-CD2 3.76Å; F49-Y52 AromaticContact CD1-CE2 3.58Å; F49-Y52 HydrophobicContact CD1-CE2 3.58Å; F49-Y52 HydrophobicContact CE1-CE2 4.27Å; F49-Y52 HydrophobicContact CG-CD2 4.35Å; F49-Y52 WeakPolarHBondContact O-CB 3.32Å; F49-Y52 PolarHBondContact O-N 2.68Å; V50-Y52 VanDerWaalsContact C-N 3.26Å; V50-Y52 PolarHBondContact O-N 3.42Å; Y52-F74 HydrophobicContact CD1-CE1 4.11Å; Y52-F74 AromaticContact CD1-CZ 3.51Å; Y52-F74 HydrophobicContact CD1-CZ 3.51Å; Y52-F74 AromaticContact CE1-CE1 3.64Å; Y52-F74 HydrophobicContact CE1-CE1 3.64Å; Y52-F74 AromaticContact CE1-CZ 3.54Å; Y52-F74 HydrophobicContact CE1-CZ 3.54Å; Y52-F74 HydrophobicContact CG-CZ 4.09Å; Y52-F76 HydrophobicContact CE1-CD1 4.27Å; Y52-F76 HydrophobicContact CE1-CE1 4.47Å; Y52-F76 WeakPolarHBondContact OH-CA 3.26Å; Y52-F76 WeakPolarHBondContact OH-CD1 3.46Å; Y52-K77 HydrophobicContact CE2-CB 4.48Å; Y52-K77 PolarHBondContact OH-N 2.81Å; Y52-K77 PolarHBondContact OH-O 3.07Å; Y52-H182 PolarHBondContact O-CE1 3.4Å; Y52-H182 PolarHBondContact O-NE2 3.27Å
53E79.5Confident82.3Confident125 Ų12566.7 Ų66.758%0.58435%0.345SS*.G310 helixtrans-98.1-3.8177.8-57.6-171.9169.400112.4V50 H51 S55 R191V50-E53 PolarHBondContact O-N 3.32Å; H51-E53 PolarHBondContact O-N 2.98Å; E53-S55 PolarHBondContact O-N 3.13Å; E53-R191 PolarHBondContact O-NH1 3.19Å; E53-R191 PolarHBondContact O-NH2 2.97Å; E53-R191 VanDerWaalsContact O-NH2 3.15Å
54N84.7Confident83.1Confident61 Ų6160.6 Ų60.633%0.32634%0.344SS..  trans-72.588.4-178.7-176.35.6000111.1H51 S56 I57H51-N54 WeakPolarHBondContact O-CB 3.34Å; H51-N54 PolarHBondContact O-N 2.79Å; N54-S56 PolarHBondContact O-N 3.13Å; N54-S56 WeakPolarHBondContact OD1-CA 3.46Å; N54-S56 PolarHBondContact OD1-N 2.89Å; N54-S56 PolarHBondContact OD1-OG 2.91Å; N54-I57 HydrophobicContact CB-CB 4.39Å; N54-I57 WeakPolarHBondContact O-CG2 3.36Å; N54-I57 PolarHBondContact O-N 2.83Å; N54-I57 PolarHBondContact OD1-N 2.95Å
55S84Confident84.1Confident23 Ų2359.8 Ų59.816%0.16135%0.346CS..THydrogen-bonded Turntrans-68.5-16175490000113.8E53 K186E53-S55 PolarHBondContact O-N 3.13Å; S55-K186 WeakPolarHBondContact O-CD 3.27Å
56S88Confident85.4Confident92 Ų9256.5 Ų56.564%0.64333%0.328SS*.THydrogen-bonded Turntrans-90.54.5176.449.60000114.4N54 S58N54-S56 PolarHBondContact O-N 3.13Å; N54-S56 WeakPolarHBondContact OD1-CA 3.46Å; N54-S56 PolarHBondContact OD1-N 2.89Å; N54-S56 PolarHBondContact OD1-OG 2.91Å; S56-S58 PolarHBondContact O-N 3.31Å
57I91.9Very high86.7Confident49 Ų4954.8 Ų54.825%0.25131%0.307SS..SBendtrans-63.7-26.6-178.4-162.9169.2000113.2N54 Y72 H73 F74 L177N54-I57 HydrophobicContact CB-CB 4.39Å; N54-I57 WeakPolarHBondContact O-CG2 3.36Å; N54-I57 PolarHBondContact O-N 2.83Å; N54-I57 PolarHBondContact OD1-N 2.95Å; I57-Y72 HydrophobicContact CB-CD2 4.41Å; I57-Y72 HydrophobicContact CD1-CD2 3.77Å; I57-Y72 HydrophobicContact CD1-CE2 4.08Å; I57-Y72 HydrophobicContact CG1-CD2 3.83Å; I57-Y72 HydrophobicContact CG1-CE2 4.4Å; I57-Y72 HydrophobicContact CG2-CD2 3.78Å; I57-Y72 HydrophobicContact CG2-CE2 3.67Å; I57-Y72 HydrophobicContact CG2-CG 4.44Å; I57-H73 WeakPolarHBondContact CD1-O 3.33Å; I57-F74 HydrophobicContact CD1-CD2 4.01Å; I57-L177 HydrophobicContact CG2-CD1 3.87Å; I57-L177 HydrophobicContact CG2-CD2 4.12Å; I57-L177 HydrophobicContact CG2-CG 4.24Å
58S95.2Very high87.8Confident6 Ų651.8 Ų51.84%0.04229%0.287CS..SBendtrans-156.1170173.7-168.50000110.3S56 F70 L177 K186S56-S58 PolarHBondContact O-N 3.31Å; S58-F70 WeakPolarHBondContact OG-CB 3.29Å; S58-F70 PolarHBondContact OG-O 2.87Å; S58-L177 WeakPolarHBondContact O-CD1 3.38Å; S58-K186 PolarHBondContact O-NZ 2.98Å
59D95.4Very high88.9Confident57 Ų5750.7 Ų50.731%0.30528%0.281SS..  trans-110.9159.5-178.8-65.4-48.5000113.6V69 F70 K186 R388D59-V69 WeakPolarHBondContact O-CA 3.49Å; D59-F70 HydrophobicContact CB-CD2 4Å; D59-F70 HydrophobicContact CB-CE2 4.33Å; D59-F70 WeakPolarHBondContact O-CD2 3.32Å; D59-F70 PolarHBondContact O-N 3.22Å; D59-K186 WeakPolarHBondContact OD1-CE 3.25Å; D59-K186 IonicContact OD1-NZ 3.59Å; D59-K186 PolarHBondContact OD1-NZ 2.98Å; D59-R388 IonicContact OD2-CZ 2.89Å; D59-R388 IonicContact OD2-NH1 2.74Å; D59-R388 PolarHBondContact OD2-NH1 2.77Å; D59-R388 IonicContact OD2-NH2 3.73Å; D59-R388 PolarHBondContact OD2-NH2 2.91Å
60Y96.4Very high89.8Confident38 Ų3848.8 Ų48.815%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-86.8151.7171.1-52.6-67.3000110.1R67 K68 V69 L177 I183 K186 D187Y60-R67 HydrophobicContact CD1-CG 3.99Å; Y60-R67 VanDerWaalsContact CE2-NH1 3.28Å; Y60-R67 HydrophobicContact CG-CG 4.33Å; Y60-K68 CarbonylContact C-O 3.45Å; Y60-K68 VanDerWaalsContact CA-O 3.23Å; Y60-K68 WeakPolarHBondContact CA-O 3.41Å; Y60-V69 HydrophobicContact CD1-CG2 3.68Å; Y60-V69 HydrophobicContact CE1-CG2 3.82Å; Y60-L177 HydrophobicContact CE1-CB 3.9Å; Y60-L177 PolarHBondContact OH-O 3.45Å; Y60-I183 WeakPolarHBondContact OH-CG1 3.34Å; Y60-K186 HydrophobicContact CD2-CD 4.18Å; Y60-K186 HydrophobicContact CE2-CB 4.38Å; Y60-K186 HydrophobicContact CE2-CD 3.62Å; Y60-K186 HydrophobicContact CE2-CG 4.26Å; Y60-D187 WeakPolarHBondContact CE2-OD1 3.34Å
61Y95.9Very high91Very high32 Ų3245.6 Ų45.613%0.12525%0.254CS..EExtended strand (participates in β ladder)trans-138.5159.6161.466.4-82.2000108.9D63 K68 F70 L381 V385 L389Y61-D63 HydrophobicContact CE2-CB 4.39Å; Y61-K68 HydrophobicContact CD1-CB 4.09Å; Y61-K68 HydrophobicContact CD2-CB 4.19Å; Y61-K68 HydrophobicContact CE1-CB 3.53Å; Y61-K68 HydrophobicContact CE2-CB 3.66Å; Y61-K68 HydrophobicContact CE2-CD 3.89Å; Y61-K68 HydrophobicContact CE2-CG 4.27Å; Y61-K68 HydrophobicContact CG-CB 4.4Å; Y61-K68 PolarHBondContact N-O 2.88Å; Y61-K68 PolarHBondContact O-N 3.36Å; Y61-K68 WeakPolarHBondContact OH-CB 3.32Å; Y61-F70 HydrophobicContact CD1-CD1 4.02Å; Y61-F70 AromaticContact CD1-CD2 3.85Å; Y61-F70 HydrophobicContact CD1-CD2 3.85Å; Y61-F70 AromaticContact CD1-CE1 3.88Å; Y61-F70 HydrophobicContact CD1-CE1 3.88Å; Y61-F70 AromaticContact CD1-CE2 3.7Å; Y61-F70 HydrophobicContact CD1-CE2 3.7Å; Y61-F70 AromaticContact CD1-CG 3.99Å; Y61-F70 HydrophobicContact CD1-CG 3.99Å; Y61-F70 AromaticContact CD1-CZ 3.71Å; Y61-F70 HydrophobicContact CD1-CZ 3.71Å; Y61-F70 HydrophobicContact CE1-CD1 4.18Å; Y61-F70 HydrophobicContact CE1-CE1 4.31Å; Y61-F70 HydrophobicContact CE1-CG 4.31Å; Y61-F70 HydrophobicContact CG-CE1 4.34Å; Y61-F70 HydrophobicContact CG-CE2 4.12Å; Y61-F70 AromaticContact CG-CZ 3.92Å; Y61-F70 HydrophobicContact CG-CZ 3.92Å; Y61-L381 HydrophobicContact CD2-CD2 4.36Å; Y61-L381 HydrophobicContact CE2-CD1 4.44Å; Y61-L381 HydrophobicContact CE2-CD2 4.33Å; Y61-V385 HydrophobicContact CD2-CG1 3.54Å; Y61-V385 HydrophobicContact CE2-CG1 4.06Å; Y61-V385 HydrophobicContact CG-CG1 3.81Å; Y61-L389 HydrophobicContact CE1-CD2 4.01Å; Y61-L389 HydrophobicContact CE2-CD1 4.38Å
62T94.5Very high92.2Very high85 Ų8544.1 Ų44.152%0.52125%0.247SC..EExtended strand (participates in β ladder)trans-103.8137.7179.754.60000110.3F66 N146T62-F66 WeakPolarHBondContact CA-O 3.39Å; T62-N146 VanDerWaalsContact CG2-ND2 3.35Å; T62-N146 WeakPolarHBondContact CG2-ND2 3.27Å
63D92.4Very high93Very high33 Ų3345.5 Ų45.518%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-135.498.1175.5-173.63.6000108.8Y61 I65 F66 K68 L381Y61-D63 HydrophobicContact CE2-CB 4.39Å; D63-I65 PolarHBondContact O-N 3.02Å; D63-I65 VanDerWaalsContact O-N 3.14Å; D63-F66 PolarHBondContact N-O 2.95Å; D63-F66 WeakPolarHBondContact O-CB 3.47Å; D63-F66 PolarHBondContact O-N 3.23Å; D63-K68 HydrophobicContact CB-CD 3.87Å; D63-K68 WeakPolarHBondContact OD2-CE 3.34Å; D63-K68 IonicContact OD2-NZ 2.74Å; D63-K68 PolarHBondContact OD2-NZ 3.5Å; D63-L381 HydrophobicContact CB-CD2 3.65Å; D63-L381 VanDerWaalsContact CG-CD2 3.47Å
64G92Very high93.6Very high69 Ų6939.7 Ų39.771%0.71123%0.228SC*.THydrogen-bonded Turntrans55.3-118.1-169.600000111.7F66G64-F66 VanDerWaalsContact C-N 3.29Å; G64-F66 PolarHBondContact O-N 3.08Å
65I94.6Very high94Very high86 Ų8639.2 Ų39.244%0.44123%0.227SC..THydrogen-bonded Turntrans-81.4-5.317961.9167.3000113.7D63 L145 N146 M409D63-I65 PolarHBondContact O-N 3.02Å; D63-I65 VanDerWaalsContact O-N 3.14Å; I65-L145 HydrophobicContact CD1-CD2 4.09Å; I65-N146 WeakPolarHBondContact O-CB 3.42Å; I65-N146 PolarHBondContact O-N 3.47Å; I65-M409 HydrophobicContact CD1-CE 3.12Å; I65-M409 HydrophobicContact CD1-SD 4.36Å
66F96.5Very high94.3Very high20 Ų2041.2 Ų41.29%0.08823%0.233CC..EExtended strand (participates in β ladder)trans-100.6140.7-171.1-64.2-68.3000112.7T62 D63 G64 K68 P143 V144 D406 P407 L412T62-F66 WeakPolarHBondContact CA-O 3.39Å; D63-F66 PolarHBondContact N-O 2.95Å; D63-F66 WeakPolarHBondContact O-CB 3.47Å; D63-F66 PolarHBondContact O-N 3.23Å; G64-F66 VanDerWaalsContact C-N 3.29Å; G64-F66 PolarHBondContact O-N 3.08Å; F66-K68 HydrophobicContact CB-CG 4.16Å; F66-P143 HydrophobicContact CB-CB 4.15Å; F66-P143 HydrophobicContact CD1-CB 3.8Å; F66-P143 HydrophobicContact CE1-CB 4.45Å; F66-P143 HydrophobicContact CG-CB 4.08Å; F66-V144 CarbonylContact C-O 3.59Å; F66-V144 WeakPolarHBondContact CA-O 3.35Å; F66-D406 HydrophobicContact CD2-CB 4.35Å; F66-D406 HydrophobicContact CE2-CB 3.66Å; F66-D406 HydrophobicContact CZ-CB 3.93Å; F66-P407 HydrophobicContact CE1-CG 3.9Å; F66-P407 HydrophobicContact CZ-CG 4.37Å; F66-L412 HydrophobicContact CE1-CD1 3.59Å; F66-L412 HydrophobicContact CZ-CD1 4.25Å
67R96.7Very high94.5Very high31 Ų3139 Ų3912%0.11721%0.212CC..EExtended strand (participates in β ladder)trans-93.8120.1159173.5-175.4-72.3-113.67.1107.8Y60 V144 N146 N178 D187Y60-R67 HydrophobicContact CD1-CG 3.99Å; Y60-R67 VanDerWaalsContact CE2-NH1 3.28Å; Y60-R67 HydrophobicContact CG-CG 4.33Å; R67-V144 HydrophobicContact CB-CG2 3.94Å; R67-V144 HydrophobicContact CG-CG2 4.3Å; R67-V144 PolarHBondContact N-O 3.21Å; R67-V144 PolarHBondContact O-N 2.94Å; R67-V144 VanDerWaalsContact O-N 3.12Å; R67-N146 HydrophobicContact CB-CB 4.12Å; R67-N178 WeakPolarHBondContact CD-OD1 3.44Å; R67-N178 PolarHBondContact O-ND2 3.16Å; R67-D187 IonicContact CZ-OD2 3.42Å; R67-D187 VanDerWaalsContact CZ-OD2 3.28Å; R67-D187 IonicContact NH1-OD1 2.71Å; R67-D187 IonicContact NH1-OD2 3Å; R67-D187 PolarHBondContact NH1-OD2 3.44Å; R67-D187 IonicContact NH2-OD2 3.2Å; R67-D187 PolarHBondContact NH2-OD2 2.94Å
68K96.5Very high94.5Very high22 Ų2238.1 Ų38.110%0.09621%0.212CC..EExtended strand (participates in β ladder)trans-117.6160.4178.5-62.9-174.5-179.3178.90109.6Y60 Y61 D63 F66 P143 D406Y60-K68 CarbonylContact C-O 3.45Å; Y60-K68 VanDerWaalsContact CA-O 3.23Å; Y60-K68 WeakPolarHBondContact CA-O 3.41Å; Y61-K68 HydrophobicContact CD1-CB 4.09Å; Y61-K68 HydrophobicContact CD2-CB 4.19Å; Y61-K68 HydrophobicContact CE1-CB 3.53Å; Y61-K68 HydrophobicContact CE2-CB 3.66Å; Y61-K68 HydrophobicContact CE2-CD 3.89Å; Y61-K68 HydrophobicContact CE2-CG 4.27Å; Y61-K68 HydrophobicContact CG-CB 4.4Å; Y61-K68 PolarHBondContact N-O 2.88Å; Y61-K68 PolarHBondContact O-N 3.36Å; Y61-K68 WeakPolarHBondContact OH-CB 3.32Å; D63-K68 HydrophobicContact CB-CD 3.87Å; D63-K68 WeakPolarHBondContact OD2-CE 3.34Å; D63-K68 IonicContact OD2-NZ 2.74Å; D63-K68 PolarHBondContact OD2-NZ 3.5Å; F66-K68 HydrophobicContact CB-CG 4.16Å; K68-P143 HydrophobicContact CD-CG 4.25Å; K68-P143 HydrophobicContact CG-CB 4.02Å; K68-P143 HydrophobicContact CG-CG 4.1Å; K68-D406 VanDerWaalsContact CE-OD1 3.25Å; K68-D406 WeakPolarHBondContact CE-OD1 3.5Å; K68-D406 VanDerWaalsContact NZ-CG 3.25Å; K68-D406 IonicContact NZ-OD1 2.92Å; K68-D406 PolarHBondContact NZ-OD1 2.98Å; K68-D406 IonicContact NZ-OD2 3.57Å; K68-D406 PolarHBondContact NZ-OD2 3.11Å
69V96.8Very high94.4Very high7 Ų740.6 Ų40.64%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-117.3132.9-179.9176.50000107.6D59 Y60 Y72 E141 L177D59-V69 WeakPolarHBondContact O-CA 3.49Å; Y60-V69 HydrophobicContact CD1-CG2 3.68Å; Y60-V69 HydrophobicContact CE1-CG2 3.82Å; V69-Y72 HydrophobicContact CG1-CD1 4.04Å; V69-Y72 HydrophobicContact CG1-CE1 3.74Å; V69-E141 HydrophobicContact CB-CB 4.28Å; V69-E141 HydrophobicContact CG2-CB 4.38Å; V69-L177 HydrophobicContact CG1-CB 4.29Å; V69-L177 HydrophobicContact CG1-CD1 3.73Å; V69-L177 HydrophobicContact CG2-CB 4.04Å
70F96.6Very high94.3Very high6 Ų638.5 Ų38.53%0.02621%0.211CC..  trans-61.3135.5173.6-70.5-80.3000109.7S58 D59 Y61 Y72 V385 R388 L389S58-F70 WeakPolarHBondContact OG-CB 3.29Å; S58-F70 PolarHBondContact OG-O 2.87Å; D59-F70 HydrophobicContact CB-CD2 4Å; D59-F70 HydrophobicContact CB-CE2 4.33Å; D59-F70 WeakPolarHBondContact O-CD2 3.32Å; D59-F70 PolarHBondContact O-N 3.22Å; Y61-F70 HydrophobicContact CD1-CD1 4.02Å; Y61-F70 AromaticContact CD1-CD2 3.85Å; Y61-F70 HydrophobicContact CD1-CD2 3.85Å; Y61-F70 AromaticContact CD1-CE1 3.88Å; Y61-F70 HydrophobicContact CD1-CE1 3.88Å; Y61-F70 AromaticContact CD1-CE2 3.7Å; Y61-F70 HydrophobicContact CD1-CE2 3.7Å; Y61-F70 AromaticContact CD1-CG 3.99Å; Y61-F70 HydrophobicContact CD1-CG 3.99Å; Y61-F70 AromaticContact CD1-CZ 3.71Å; Y61-F70 HydrophobicContact CD1-CZ 3.71Å; Y61-F70 HydrophobicContact CE1-CD1 4.18Å; Y61-F70 HydrophobicContact CE1-CE1 4.31Å; Y61-F70 HydrophobicContact CE1-CG 4.31Å; Y61-F70 HydrophobicContact CG-CE1 4.34Å; Y61-F70 HydrophobicContact CG-CE2 4.12Å; Y61-F70 AromaticContact CG-CZ 3.92Å; Y61-F70 HydrophobicContact CG-CZ 3.92Å; F70-Y72 VanDerWaalsContact O-CD1 3.32Å; F70-Y72 WeakPolarHBondContact O-CD1 3.49Å; F70-V385 HydrophobicContact CE1-CG1 4Å; F70-V385 HydrophobicContact CZ-CB 4.43Å; F70-V385 HydrophobicContact CZ-CG1 3.99Å; F70-V385 HydrophobicContact CZ-CG2 4.33Å; F70-R388 HydrophobicContact CD1-CB 4.25Å; F70-R388 HydrophobicContact CD1-CG 3.78Å; F70-R388 HydrophobicContact CE1-CB 3.73Å; F70-R388 HydrophobicContact CE1-CG 3.69Å; F70-R388 HydrophobicContact CG-CG 4.32Å; F70-R388 HydrophobicContact CZ-CB 4.25Å; F70-R388 HydrophobicContact CZ-CG 4.15Å; F70-L389 HydrophobicContact CD1-CD2 3.74Å; F70-L389 HydrophobicContact CD1-CG 3.96Å; F70-L389 HydrophobicContact CE1-CD2 4.15Å; F70-L389 HydrophobicContact CE1-CG 3.89Å
71P95.9Very high94Very high18 Ų1840.9 Ų40.912%0.11722%0.222CC..  trans-55.9144.7178-25.935.2000112.6H138 R139 H140 C392P71-H138 VanDerWaalsContact CB-CE1 3.41Å; P71-H138 WeakPolarHBondContact CB-CE1 3.45Å; P71-R139 VanDerWaalsContact CA-O 3.31Å; P71-R139 WeakPolarHBondContact CA-O 3.45Å; P71-H140 WeakPolarHBondContact CG-ND1 3.41Å; P71-C392 HydrophobicContact CB-CB 4.28Å; P71-C392 HydrophobicContact CG-CB 4.49Å
72Y95.5Very high93.9Very high12 Ų1247.8 Ų47.85%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-152.6153.8-174.562.6-81.5000112.4I57 V69 F70 F74 R139 E141 T176 L177I57-Y72 HydrophobicContact CB-CD2 4.41Å; I57-Y72 HydrophobicContact CD1-CD2 3.77Å; I57-Y72 HydrophobicContact CD1-CE2 4.08Å; I57-Y72 HydrophobicContact CG1-CD2 3.83Å; I57-Y72 HydrophobicContact CG1-CE2 4.4Å; I57-Y72 HydrophobicContact CG2-CD2 3.78Å; I57-Y72 HydrophobicContact CG2-CE2 3.67Å; I57-Y72 HydrophobicContact CG2-CG 4.44Å; V69-Y72 HydrophobicContact CG1-CD1 4.04Å; V69-Y72 HydrophobicContact CG1-CE1 3.74Å; F70-Y72 VanDerWaalsContact O-CD1 3.32Å; F70-Y72 WeakPolarHBondContact O-CD1 3.49Å; Y72-F74 HydrophobicContact CD2-CB 4.23Å; Y72-F74 HydrophobicContact CE2-CB 3.91Å; Y72-F74 AromaticContact CE2-CD2 3.75Å; Y72-F74 HydrophobicContact CE2-CD2 3.75Å; Y72-F74 HydrophobicContact CE2-CG 4.19Å; Y72-R139 HydrophobicContact CE1-CB 4.21Å; Y72-R139 HydrophobicContact CE2-CB 4.34Å; Y72-R139 PolarHBondContact N-O 3.44Å; Y72-R139 PolarHBondContact O-N 2.87Å; Y72-E141 HydrophobicContact CE1-CG 4.25Å; Y72-E141 WeakPolarHBondContact CE1-OE1 3.49Å; Y72-E141 PolarHBondContact OH-OE1 3.41Å; Y72-T176 WeakPolarHBondContact OH-CB 3.42Å; Y72-L177 HydrophobicContact CE1-CD1 4.18Å
73H93.8Very high93.7Very high83 Ų8349.9 Ų49.938%0.38425%0.254SS..EExtended strand (participates in β ladder)trans-75.5133.7171.7-65.396.1000111.1I57 V137 H138 D394I57-H73 WeakPolarHBondContact CD1-O 3.33Å; H73-V137 WeakPolarHBondContact CA-O 3.42Å; H73-H138 AromaticContact CD2-CD2 3.95Å; H73-H138 AromaticContact CE1-CD2 3.86Å; H73-H138 AromaticContact NE2-CD2 3.75Å; H73-D394 IonicContact CD2-OD2 3.08Å; H73-D394 IonicContact CE1-OD2 3.12Å; H73-D394 IonicContact NE2-OD2 3.32Å; H73-D394 PolarHBondContact NE2-OD2 3.05Å
74F92.9Very high93.8Very high4 Ų448.4 Ų48.42%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-135.8144.4178.4-169.7-100.1000110Y52 I57 Y72 F76 K136 V137 R139 T176Y52-F74 HydrophobicContact CD1-CE1 4.11Å; Y52-F74 AromaticContact CD1-CZ 3.51Å; Y52-F74 HydrophobicContact CD1-CZ 3.51Å; Y52-F74 AromaticContact CE1-CE1 3.64Å; Y52-F74 HydrophobicContact CE1-CE1 3.64Å; Y52-F74 AromaticContact CE1-CZ 3.54Å; Y52-F74 HydrophobicContact CE1-CZ 3.54Å; Y52-F74 HydrophobicContact CG-CZ 4.09Å; I57-F74 HydrophobicContact CD1-CD2 4.01Å; Y72-F74 HydrophobicContact CD2-CB 4.23Å; Y72-F74 HydrophobicContact CE2-CB 3.91Å; Y72-F74 AromaticContact CE2-CD2 3.75Å; Y72-F74 HydrophobicContact CE2-CD2 3.75Å; Y72-F74 HydrophobicContact CE2-CG 4.19Å; F74-F76 HydrophobicContact CD1-CD1 4.29Å; F74-F76 HydrophobicContact CD1-CD2 4.04Å; F74-F76 HydrophobicContact CD1-CE1 4.21Å; F74-F76 AromaticContact CD1-CE2 3.99Å; F74-F76 HydrophobicContact CD1-CE2 3.99Å; F74-F76 HydrophobicContact CD1-CG 4.2Å; F74-F76 HydrophobicContact CD1-CZ 4.07Å; F74-F76 AromaticContact CE1-CD1 3.89Å; F74-F76 HydrophobicContact CE1-CD1 3.89Å; F74-F76 HydrophobicContact CE1-CD2 4.45Å; F74-F76 AromaticContact CE1-CE1 3.81Å; F74-F76 HydrophobicContact CE1-CE1 3.81Å; F74-F76 HydrophobicContact CE1-CE2 4.42Å; F74-F76 HydrophobicContact CE1-CG 4.21Å; F74-F76 HydrophobicContact CE1-CZ 4.1Å; F74-K136 CarbonylContact O-C 3.43Å; F74-K136 WeakPolarHBondContact O-CA 3.41Å; F74-V137 HydrophobicContact CB-CG2 4.4Å; F74-V137 PolarHBondContact N-O 3.39Å; F74-V137 PolarHBondContact O-N 2.94Å; F74-R139 HydrophobicContact CB-CG 3.57Å; F74-R139 HydrophobicContact CG-CG 4.32Å; F74-T176 HydrophobicContact CE2-CG2 4.16Å; F74-T176 HydrophobicContact CZ-CG2 4.38Å
75V91.9Very high94Very high50 Ų5047.1 Ų47.130%0.30322%0.223SC..EExtended strand (participates in β ladder)trans-106.4115.7175.9-1770000107.4H51 K77 Q135 K136H51-V75 PolarHBondContact CD2-O 3.05Å; H51-V75 PolarHBondContact NE2-O 3.44Å; V75-K77 HydrophobicContact CG1-CG 3.94Å; V75-Q135 CarbonylContact C-O 3.55Å; V75-Q135 WeakPolarHBondContact CA-O 3.29Å; V75-K136 HydrophobicContact CG2-CB 4.38Å; V75-K136 HydrophobicContact CG2-CG 4.36Å
76F91.4Very high94Very high65 Ų6549.2 Ų49.229%0.28523%0.234SC..EExtended strand (participates in β ladder)trans-76.3137.3164.6-78-75.8000109.2Y52 F74 S134 Q135 V137 R139Y52-F76 HydrophobicContact CE1-CD1 4.27Å; Y52-F76 HydrophobicContact CE1-CE1 4.47Å; Y52-F76 WeakPolarHBondContact OH-CA 3.26Å; Y52-F76 WeakPolarHBondContact OH-CD1 3.46Å; F74-F76 HydrophobicContact CD1-CD1 4.29Å; F74-F76 HydrophobicContact CD1-CD2 4.04Å; F74-F76 HydrophobicContact CD1-CE1 4.21Å; F74-F76 AromaticContact CD1-CE2 3.99Å; F74-F76 HydrophobicContact CD1-CE2 3.99Å; F74-F76 HydrophobicContact CD1-CG 4.2Å; F74-F76 HydrophobicContact CD1-CZ 4.07Å; F74-F76 AromaticContact CE1-CD1 3.89Å; F74-F76 HydrophobicContact CE1-CD1 3.89Å; F74-F76 HydrophobicContact CE1-CD2 4.45Å; F74-F76 AromaticContact CE1-CE1 3.81Å; F74-F76 HydrophobicContact CE1-CE1 3.81Å; F74-F76 HydrophobicContact CE1-CE2 4.42Å; F74-F76 HydrophobicContact CE1-CG 4.21Å; F74-F76 HydrophobicContact CE1-CZ 4.1Å; F76-S134 CarbonylContact O-C 3.45Å; F76-S134 WeakPolarHBondContact O-CA 3.43Å; F76-Q135 PolarHBondContact N-O 2.94Å; F76-Q135 PolarHBondContact O-N 2.97Å; F76-V137 HydrophobicContact CD2-CG1 4.43Å; F76-V137 HydrophobicContact CD2-CG2 3.74Å; F76-V137 HydrophobicContact CE2-CG2 3.66Å; F76-R139 VanDerWaalsContact CE2-NH1 3.28Å
77K91.9Very high94Very high46 Ų4651.9 Ų51.920%0.224%0.244CC..EExtended strand (participates in β ladder)trans-129.9140.7169.8-58.6-165.5-169.9171.20110.4D48 F49 Y52 V75 L132 L133D48-K77 WeakPolarHBondContact O-CD 3.49Å; D48-K77 PolarHBondContact O-NZ 2.98Å; F49-K77 HydrophobicContact CE1-CB 4.15Å; F49-K77 WeakPolarHBondContact CE1-O 3.28Å; Y52-K77 HydrophobicContact CE2-CB 4.48Å; Y52-K77 PolarHBondContact OH-N 2.81Å; Y52-K77 PolarHBondContact OH-O 3.07Å; V75-K77 HydrophobicContact CG1-CG 3.94Å; K77-L132 HydrophobicContact CB-CD1 4.22Å; K77-L132 HydrophobicContact CD-CD2 4.46Å; K77-L133 CarbonylContact C-O 3.55Å; K77-L133 VanDerWaalsContact CA-O 3.29Å; K77-L133 WeakPolarHBondContact CA-O 3.41Å
78A91.4Very high94Very high30 Ų3054.6 Ų54.625%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-150.6131.8173.200000110W84 L133A78-W84 HydrophobicContact CB-CH2 4.04Å; A78-W84 HydrophobicContact CB-CZ3 4.12Å; A78-L133 PolarHBondContact N-O 2.86Å; A78-L133 PolarHBondContact O-N 3.18Å
79Y93.1Very high93.9Very high58 Ų5853.6 Ų53.623%0.22725%0.252CS..EExtended strand (participates in β ladder)trans-66146.4165.3-78.8-71.4000110.4R44 D48 F49 K81 D131 L132R44-Y79 HydrophobicContact CB-CE2 4.27Å; R44-Y79 VanDerWaalsContact CB-OH 3.31Å; R44-Y79 WeakPolarHBondContact CB-OH 3.29Å; R44-Y79 VanDerWaalsContact CD-OH 3.26Å; R44-Y79 WeakPolarHBondContact CD-OH 3.28Å; R44-Y79 VanDerWaalsContact CG-OH 3.29Å; R44-Y79 WeakPolarHBondContact CG-OH 3.45Å; D48-Y79 PolarHBondContact OD2-OH 2.89Å; F49-Y79 HydrophobicContact CE2-CD2 4.07Å; F49-Y79 AromaticContact CE2-CE2 3.8Å; F49-Y79 HydrophobicContact CE2-CE2 3.8Å; F49-Y79 AromaticContact CZ-CD2 3.98Å; F49-Y79 HydrophobicContact CZ-CD2 3.98Å; F49-Y79 HydrophobicContact CZ-CE2 4.14Å; Y79-K81 PolarHBondContact O-N 2.72Å; Y79-D131 CarbonylContact C-O 3.52Å; Y79-D131 WeakPolarHBondContact CA-O 3.43Å; Y79-L132 HydrophobicContact CD1-CB 4.18Å; Y79-L132 HydrophobicContact CD1-CD1 4.08Å; Y79-L132 HydrophobicContact CD2-CD1 4.18Å; Y79-L132 HydrophobicContact CE1-CB 3.92Å; Y79-L132 HydrophobicContact CE1-CD1 4.03Å; Y79-L132 HydrophobicContact CE1-CG 4.44Å; Y79-L132 HydrophobicContact CE2-CD1 4.11Å; Y79-L132 HydrophobicContact CG-CD1 4.16Å
80A93.7Very high93.8Very high14 Ų1456.4 Ų56.412%0.11626%0.262CS..PPolyproline II helixtrans-53.612517700000110.2I127 N128 D131A80-I127 HydrophobicContact CB-CG2 3.66Å; A80-N128 VanDerWaalsContact CB-O 3.27Å; A80-N128 WeakPolarHBondContact CB-O 3.3Å; A80-D131 HydrophobicContact CB-CB 4.1Å; A80-D131 PolarHBondContact N-O 3.35Å
81K91.2Very high93.6Very high87 Ų8759.1 Ų59.138%0.37828%0.277SS..PPolyproline II helixtrans-85.2151.5174.6-58.8-177.3-171168.30108.7Y79 R83 W84 I85Y79-K81 PolarHBondContact O-N 2.72Å; K81-R83 HydrophobicContact CB-CG 4.36Å; K81-R83 PolarHBondContact O-N 2.93Å; K81-W84 HydrophobicContact CB-CD2 3.82Å; K81-W84 HydrophobicContact CB-CE3 4.23Å; K81-W84 HydrophobicContact CB-CG 4.1Å; K81-W84 HydrophobicContact CB-CZ2 4.42Å; K81-W84 HydrophobicContact CD-CD2 4.42Å; K81-W84 HydrophobicContact CD-CH2 3.89Å; K81-W84 HydrophobicContact CD-CZ2 3.48Å; K81-W84 VanDerWaalsContact CD-CZ2 3.48Å; K81-W84 HydrophobicContact CG-CD2 4.05Å; K81-W84 HydrophobicContact CG-CE3 4.15Å; K81-W84 HydrophobicContact CG-CH2 3.93Å; K81-W84 HydrophobicContact CG-CZ2 3.87Å; K81-W84 HydrophobicContact CG-CZ3 4.07Å; K81-W84 WeakPolarHBondContact O-CA 3.45Å; K81-W84 WeakPolarHBondContact O-CB 3.44Å; K81-W84 PolarHBondContact O-N 2.91Å; K81-I85 PolarHBondContact O-N 2.95Å
82E92Very high93.4Very high177 Ų17758.2 Ų58.283%0.82727%0.271SS*.G310 helixtrans-48.9-40.4-179.5-172.2179.5177.900113.4W84 I85E82-W84 VanDerWaalsContact C-N 3.26Å; E82-W84 PolarHBondContact O-N 3.16Å; E82-I85 PolarHBondContact O-N 2.86Å
83R91.2Very high93.2Very high130 Ų13058 Ų5849%0.49127%0.27SS..G310 helixtrans-74.8-5.3178.768180-176.9-89.23.8115.8K81 R87 E96K81-R83 HydrophobicContact CB-CG 4.36Å; K81-R83 PolarHBondContact O-N 2.93Å; R83-R87 WeakPolarHBondContact O-CD 3.25Å; R83-R87 PolarHBondContact O-NH1 3.29Å; R83-E96 VanDerWaalsContact CD-OE1 3.29Å; R83-E96 WeakPolarHBondContact CD-OE1 3.49Å; R83-E96 IonicContact CZ-OE1 2.59Å; R83-E96 IonicContact CZ-OE2 2.93Å; R83-E96 VanDerWaalsContact CZ-OE2 3.31Å; R83-E96 VanDerWaalsContact NE-CD 3.28Å; R83-E96 IonicContact NE-OE1 2.81Å; R83-E96 PolarHBondContact NE-OE1 3.43Å; R83-E96 IonicContact NE-OE2 2.68Å; R83-E96 PolarHBondContact NE-OE2 2.89Å; R83-E96 IonicContact NH2-OE2 2.81Å; R83-E96 PolarHBondContact NH2-OE2 2.84Å
84W94.3Very high93Very high2 Ų257.1 Ų57.11%0.00827%0.267CS..G310 helixtrans-97.5-21.4174.6-56-15.2000111.5A78 K81 E82 R87 V92 E96 F97 I127 L133A78-W84 HydrophobicContact CB-CH2 4.04Å; A78-W84 HydrophobicContact CB-CZ3 4.12Å; K81-W84 HydrophobicContact CB-CD2 3.82Å; K81-W84 HydrophobicContact CB-CE3 4.23Å; K81-W84 HydrophobicContact CB-CG 4.1Å; K81-W84 HydrophobicContact CB-CZ2 4.42Å; K81-W84 HydrophobicContact CD-CD2 4.42Å; K81-W84 HydrophobicContact CD-CH2 3.89Å; K81-W84 HydrophobicContact CD-CZ2 3.48Å; K81-W84 VanDerWaalsContact CD-CZ2 3.48Å; K81-W84 HydrophobicContact CG-CD2 4.05Å; K81-W84 HydrophobicContact CG-CE3 4.15Å; K81-W84 HydrophobicContact CG-CH2 3.93Å; K81-W84 HydrophobicContact CG-CZ2 3.87Å; K81-W84 HydrophobicContact CG-CZ3 4.07Å; K81-W84 WeakPolarHBondContact O-CA 3.45Å; K81-W84 WeakPolarHBondContact O-CB 3.44Å; K81-W84 PolarHBondContact O-N 2.91Å; E82-W84 VanDerWaalsContact C-N 3.26Å; E82-W84 PolarHBondContact O-N 3.16Å; W84-R87 WeakPolarHBondContact O-CB 3.43Å; W84-R87 PolarHBondContact O-N 2.78Å; W84-V92 HydrophobicContact CB-CG1 4.22Å; W84-V92 HydrophobicContact CB-CG2 4.01Å; W84-V92 HydrophobicContact CD2-CG1 3.86Å; W84-V92 HydrophobicContact CE3-CG1 4.45Å; W84-V92 HydrophobicContact CG-CG1 3.71Å; W84-V92 HydrophobicContact CG-CG2 4.24Å; W84-E96 PolarHBondContact NE1-OE2 3.38Å; W84-F97 HydrophobicContact CH2-CE2 4.25Å; W84-F97 AromaticContact CH2-CZ 3.64Å; W84-F97 HydrophobicContact CH2-CZ 3.64Å; W84-F97 HydrophobicContact CZ2-CE2 4.04Å; W84-F97 AromaticContact CZ2-CZ 3.71Å; W84-F97 HydrophobicContact CZ2-CZ 3.71Å; W84-I127 HydrophobicContact CB-CD1 4.28Å; W84-I127 HydrophobicContact CB-CG2 4.29Å; W84-L133 HydrophobicContact CE3-CD2 4.44Å; W84-L133 HydrophobicContact CZ3-CD2 4.4Å
85I95.7Very high92.6Very high42 Ų4259.7 Ų59.722%0.21529%0.285CS..THydrogen-bonded Turntrans-61.7139.5-176.6-57.3173.4000109.8K81 E82 R87 I127 D129K81-I85 PolarHBondContact O-N 2.95Å; E82-I85 PolarHBondContact O-N 2.86Å; I85-R87 PolarHBondContact O-N 2.98Å; I85-I127 CarbonylContact C-O 3.56Å; I85-I127 WeakPolarHBondContact CA-O 3.5Å; I85-D129 HydrophobicContact CD1-CB 3.93Å
86N96Very high92.3Very high129 Ų12960.8 Ų60.869%0.6929%0.287SS*.THydrogen-bonded Turntrans61.620.3-177.3-55.8-44.1000114.2I127N86-I127 PolarHBondContact N-O 2.95Å
87R96.5Very high91.9Very high77 Ų7761.1 Ų61.129%0.29129%0.288SS..SBendtrans-110.6151.7171.1-60.8177.163.1-162.6-4.8109.7R83 W84 I85 D91 V92 S95 I127R83-R87 WeakPolarHBondContact O-CD 3.25Å; R83-R87 PolarHBondContact O-NH1 3.29Å; W84-R87 WeakPolarHBondContact O-CB 3.43Å; W84-R87 PolarHBondContact O-N 2.78Å; I85-R87 PolarHBondContact O-N 2.98Å; R87-D91 PolarHBondContact NH2-O 3.16Å; R87-V92 HydrophobicContact CB-CG2 3.76Å; R87-S95 PolarHBondContact NH2-OG 2.87Å; R87-I127 PolarHBondContact O-N 2.93Å
88K96.3Very high90.8Very high88 Ų8865.1 Ų65.138%0.38331%0.312SS..BIsolated β-bridgetrans-65.2144.3172.4-64173.7160.1-154.20109.8R90 D91 V92 D124 Y125K88-R90 VanDerWaalsContact C-N 3.29Å; K88-R90 HydrophobicContact CB-CG 4.11Å; K88-R90 PolarHBondContact O-N 3.07Å; K88-D91 PolarHBondContact O-N 2.95Å; K88-V92 PolarHBondContact O-N 2.98Å; K88-D124 VanDerWaalsContact CD-OD1 3.28Å; K88-D124 WeakPolarHBondContact CD-OD1 3.45Å; K88-D124 VanDerWaalsContact CE-OD1 3.31Å; K88-D124 WeakPolarHBondContact CE-OD1 3.28Å; K88-D124 IonicContact NZ-OD1 3.13Å; K88-D124 PolarHBondContact NZ-OD1 3.31Å; K88-D124 IonicContact NZ-OD2 3.49Å; K88-Y125 CarbonylContact C-O 3.26Å; K88-Y125 WeakPolarHBondContact CA-O 3.47Å
89L94.7Very high89.3Confident0 Ų069.8 Ų69.80%033%0.333CS..Hα-helixtrans-53.8-47.5177177.462.7000111D91 V92 M93 I114 V116 V121 Y125 I127 L133L89-D91 PolarHBondContact O-N 2.95Å; L89-V92 PolarHBondContact O-N 3.21Å; L89-M93 HydrophobicContact CD1-CG 4.09Å; L89-M93 HydrophobicContact CD1-SD 4.35Å; L89-M93 HydrophobicContact CG-CG 4.28Å; L89-M93 VanDerWaalsContact O-CG 3.29Å; L89-M93 WeakPolarHBondContact O-CG 3.41Å; L89-M93 PolarHBondContact O-N 3.23Å; L89-I114 HydrophobicContact CD2-CG2 3.99Å; L89-V116 HydrophobicContact CD2-CG2 4.49Å; L89-V121 HydrophobicContact CD2-CG2 3.68Å; L89-Y125 PolarHBondContact N-O 3.24Å; L89-I127 HydrophobicContact CD1-CD1 4.07Å; L89-I127 HydrophobicContact CD1-CG1 4.48Å; L89-L133 HydrophobicContact CD1-CD2 3.75Å; L89-L133 HydrophobicContact CD1-CG 4.34Å
90R93.8Very high88.2Confident66 Ų6668.9 Ų68.925%0.24933%0.332CS..Hα-helixtrans-55.3-46.3178.268.5177.271.3-167.55.5113.5K88 V92 M93 Q94 I105 P123 D124K88-R90 VanDerWaalsContact C-N 3.29Å; K88-R90 HydrophobicContact CB-CG 4.11Å; K88-R90 PolarHBondContact O-N 3.07Å; R90-V92 VanDerWaalsContact C-N 3.28Å; R90-V92 PolarHBondContact O-N 3.26Å; R90-M93 PolarHBondContact O-N 2.91Å; R90-M93 VanDerWaalsContact O-N 3.14Å; R90-Q94 WeakPolarHBondContact O-CG 3.25Å; R90-Q94 PolarHBondContact O-N 3.45Å; R90-I105 HydrophobicContact CB-CG2 4.35Å; R90-P123 HydrophobicContact CB-CB 4.39Å; R90-P123 WeakPolarHBondContact CB-O 3.28Å; R90-P123 PolarHBondContact N-O 2.68Å; R90-D124 VanDerWaalsContact CZ-CG 3.49Å; R90-D124 IonicContact CZ-OD1 2.83Å; R90-D124 IonicContact CZ-OD2 3.94Å; R90-D124 IonicContact NE-OD1 3.66Å; R90-D124 PolarHBondContact NE-OD1 3.14Å; R90-D124 IonicContact NE-OD2 3.23Å; R90-D124 IonicContact NH2-OD1 2.77Å; R90-D124 PolarHBondContact NH2-OD1 3.24Å; R90-D124 IonicContact NH2-OD2 3.95Å; R90-D124 PolarHBondContact NH2-OD2 3.49Å
91D92.6Very high87.7Confident63 Ų6371 Ų7134%0.33735%0.346SS..Hα-helixtrans-64.3-38.2-177.9-57.4-18.6000110.6R87 K88 L89 S95R87-D91 PolarHBondContact NH2-O 3.16Å; K88-D91 PolarHBondContact O-N 2.95Å; L89-D91 PolarHBondContact O-N 2.95Å; D91-S95 VanDerWaalsContact O-CB 3.24Å; D91-S95 WeakPolarHBondContact O-CB 3.45Å; D91-S95 PolarHBondContact O-N 3.15Å; D91-S95 PolarHBondContact O-OG 3.35Å
92V92.5Very high87.5Confident0 Ų070.3 Ų70.30%035%0.346CS..Hα-helixtrans-68.4-44.5176.21710000110.3W84 R87 K88 L89 R90 Q94 S95 E96 F97 I127W84-V92 HydrophobicContact CB-CG1 4.22Å; W84-V92 HydrophobicContact CB-CG2 4.01Å; W84-V92 HydrophobicContact CD2-CG1 3.86Å; W84-V92 HydrophobicContact CE3-CG1 4.45Å; W84-V92 HydrophobicContact CG-CG1 3.71Å; W84-V92 HydrophobicContact CG-CG2 4.24Å; R87-V92 HydrophobicContact CB-CG2 3.76Å; K88-V92 PolarHBondContact O-N 2.98Å; L89-V92 PolarHBondContact O-N 3.21Å; R90-V92 VanDerWaalsContact C-N 3.28Å; R90-V92 PolarHBondContact O-N 3.26Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; V92-Q94 PolarHBondContact O-N 3.21Å; V92-S95 PolarHBondContact O-N 3.28Å; V92-E96 HydrophobicContact CG1-CG 4.43Å; V92-E96 WeakPolarHBondContact O-CB 3.4Å; V92-E96 PolarHBondContact O-N 2.93Å; V92-F97 HydrophobicContact CG1-CE2 4.09Å; V92-I127 HydrophobicContact CB-CD1 3.95Å; V92-I127 HydrophobicContact CG1-CD1 4.07Å; V92-I127 HydrophobicContact CG2-CD1 3.9Å
93M90.7Very high87.4Confident6 Ų668.3 Ų68.33%0.0334%0.337CS..Hα-helixtrans-59.1-40176.4-67.3-51.8-68.400112.3L89 R90 F97 I105 I114L89-M93 HydrophobicContact CD1-CG 4.09Å; L89-M93 HydrophobicContact CD1-SD 4.35Å; L89-M93 HydrophobicContact CG-CG 4.28Å; L89-M93 VanDerWaalsContact O-CG 3.29Å; L89-M93 WeakPolarHBondContact O-CG 3.41Å; L89-M93 PolarHBondContact O-N 3.23Å; R90-M93 PolarHBondContact O-N 2.91Å; R90-M93 VanDerWaalsContact O-N 3.14Å; M93-F97 HydrophobicContact CE-CD2 4.37Å; M93-F97 CarbonylContact O-C 3.58Å; M93-F97 WeakPolarHBondContact O-CB 3.41Å; M93-F97 PolarHBondContact O-N 2.82Å; M93-F97 HydrophobicContact SD-CD2 3.9Å; M93-F97 HydrophobicContact SD-CE2 4.08Å; M93-I105 HydrophobicContact CB-CD1 3.81Å; M93-I105 HydrophobicContact CB-CG1 4.22Å; M93-I114 HydrophobicContact CE-CD1 4.03Å
94Q88.7Confident87.2Confident65 Ų6563.3 Ų63.330%0.30432%0.323SS..Hα-helixtrans-77-37.9179.5-70.2175.8-33.200114.1R90 V92 D102 I105R90-Q94 WeakPolarHBondContact O-CG 3.25Å; R90-Q94 PolarHBondContact O-N 3.45Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; V92-Q94 PolarHBondContact O-N 3.21Å; Q94-D102 VanDerWaalsContact NE2-CG 3.25Å; Q94-D102 PolarHBondContact NE2-OD1 3Å; Q94-I105 HydrophobicContact CG-CD1 3.62Å
95S85.6Confident87.1Confident59 Ų5963.2 Ų63.241%0.41332%0.323SS..Hα-helixtrans-86.3-29.9-173.559.60000114.1R87 D91 V92R87-S95 PolarHBondContact NH2-OG 2.87Å; D91-S95 VanDerWaalsContact O-CB 3.24Å; D91-S95 WeakPolarHBondContact O-CB 3.45Å; D91-S95 PolarHBondContact O-N 3.15Å; D91-S95 PolarHBondContact O-OG 3.35Å; V92-S95 PolarHBondContact O-N 3.28Å
96E84.6Confident87Confident72 Ų7263.1 Ų63.134%0.33633%0.328SS..Hα-helixtrans-107.8-23.6-173.7-63.5-91.2164.800113.1R83 W84 V92R83-E96 VanDerWaalsContact CD-OE1 3.29Å; R83-E96 WeakPolarHBondContact CD-OE1 3.49Å; R83-E96 IonicContact CZ-OE1 2.59Å; R83-E96 IonicContact CZ-OE2 2.93Å; R83-E96 VanDerWaalsContact CZ-OE2 3.31Å; R83-E96 VanDerWaalsContact NE-CD 3.28Å; R83-E96 IonicContact NE-OE1 2.81Å; R83-E96 PolarHBondContact NE-OE1 3.43Å; R83-E96 IonicContact NE-OE2 2.68Å; R83-E96 PolarHBondContact NE-OE2 2.89Å; R83-E96 IonicContact NH2-OE2 2.81Å; R83-E96 PolarHBondContact NH2-OE2 2.84Å; W84-E96 PolarHBondContact NE1-OE2 3.38Å; V92-E96 HydrophobicContact CG1-CG 4.43Å; V92-E96 WeakPolarHBondContact O-CB 3.4Å; V92-E96 PolarHBondContact O-N 2.93Å
97F82.4Confident86.7Confident72 Ų7263.1 Ų63.132%0.31632%0.324SS..SBendtrans-119.1166.1-178.5-52.1-90.3000110.2W84 V92 M93W84-F97 HydrophobicContact CH2-CE2 4.25Å; W84-F97 AromaticContact CH2-CZ 3.64Å; W84-F97 HydrophobicContact CH2-CZ 3.64Å; W84-F97 HydrophobicContact CZ2-CE2 4.04Å; W84-F97 AromaticContact CZ2-CZ 3.71Å; W84-F97 HydrophobicContact CZ2-CZ 3.71Å; V92-F97 HydrophobicContact CG1-CE2 4.09Å; M93-F97 HydrophobicContact CE-CD2 4.37Å; M93-F97 CarbonylContact O-C 3.58Å; M93-F97 WeakPolarHBondContact O-CB 3.41Å; M93-F97 PolarHBondContact O-N 2.82Å; M93-F97 HydrophobicContact SD-CD2 3.9Å; M93-F97 HydrophobicContact SD-CE2 4.08Å
98N69.4Low86.5Confident130 Ų13061.4 Ų61.470%0.69532%0.319SS*.SBendtrans-59.4151.2-175.7-75.9-12000112.5N100N98-N100 VanDerWaalsContact C-N 3.33Å; N98-N100 PolarHBondContact O-N 2.8Å; N98-N100 PolarHBondContact O-ND2 3.33Å
99N59.3Low86.4Confident129 Ų12957.3 Ų57.369%0.6930%0.301SS*.  trans-54.580.5-173.4-65-6.4000113.5R270N99-R270 PolarHBondContact OD1-NH2 3.33Å
100N70.2Confident86.4Confident38 Ų3864.6 Ų64.620%0.20334%0.335CS..  trans-80.5136.4157.5-62.9-71.7000107.2N98 A104 I105 K108N98-N100 VanDerWaalsContact C-N 3.33Å; N98-N100 PolarHBondContact O-N 2.8Å; N98-N100 PolarHBondContact O-ND2 3.33Å; N100-A104 HydrophobicContact CB-CB 4.13Å; N100-I105 HydrophobicContact CB-CD1 4.25Å; N100-I105 HydrophobicContact CB-CG1 3.7Å; N100-K108 PolarHBondContact OD1-NZ 2.78Å
101S83.5Confident86.3Confident59 Ų5964.5 Ų64.541%0.41335%0.345SS..  trans-63.4162.1168.779.90000110.2E103 A104 I105S101-E103 WeakPolarHBondContact CB-OE2 3.35Å; S101-E103 PolarHBondContact O-N 2.83Å; S101-E103 PolarHBondContact OG-N 3.46Å; S101-E103 PolarHBondContact OG-OE2 2.99Å; S101-A104 PolarHBondContact O-N 3.12Å; S101-A104 VanDerWaalsContact O-N 3.13Å; S101-A104 PolarHBondContact OG-N 3.02Å; S101-I105 WeakPolarHBondContact O-CG1 2.93Å; S101-I105 PolarHBondContact O-N 3.19Å
102D87.2Confident86.3Confident72 Ų7262.5 Ų62.539%0.38534%0.339SS..Hα-helixtrans-55.5-40.9175.7-81-42.2000111.4Q94 A104 I105 A106Q94-D102 VanDerWaalsContact NE2-CG 3.25Å; Q94-D102 PolarHBondContact NE2-OD1 3Å; D102-A104 PolarHBondContact O-N 3.42Å; D102-I105 PolarHBondContact O-N 3.36Å; D102-A106 PolarHBondContact O-N 2.97Å
103E89.4Confident86.3Confident136 Ų13665.1 Ų65.164%0.63635%0.351SS*.Hα-helixtrans-63.6-42.5177.9-54.975.8-161.400111.4S101 I105 A106 Q107S101-E103 WeakPolarHBondContact CB-OE2 3.35Å; S101-E103 PolarHBondContact O-N 2.83Å; S101-E103 PolarHBondContact OG-N 3.46Å; S101-E103 PolarHBondContact OG-OE2 2.99Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 3.21Å; E103-A106 PolarHBondContact O-N 2.59Å; E103-Q107 WeakPolarHBondContact O-CB 2.87Å; E103-Q107 PolarHBondContact O-N 2.77Å
104A88.3Confident86.5Confident24 Ų2465 Ų6520%0.19835%0.351CS..Hα-helixtrans-65.7-34.7178.500000112.1N100 S101 D102 K108N100-A104 HydrophobicContact CB-CB 4.13Å; S101-A104 PolarHBondContact O-N 3.12Å; S101-A104 VanDerWaalsContact O-N 3.13Å; S101-A104 PolarHBondContact OG-N 3.02Å; D102-A104 PolarHBondContact O-N 3.42Å; A104-K108 WeakPolarHBondContact O-CB 3.25Å; A104-K108 WeakPolarHBondContact O-CD 3.36Å; A104-K108 WeakPolarHBondContact O-CG 3.19Å; A104-K108 PolarHBondContact O-N 3.13Å
105I91.5Very high86.9Confident1 Ų163.8 Ų63.81%0.00535%0.346CS..Hα-helixtrans-68.5-44.7175-64.7164.5000110R90 M93 Q94 N100 S101 D102 E103 K108 C109 P123R90-I105 HydrophobicContact CB-CG2 4.35Å; M93-I105 HydrophobicContact CB-CD1 3.81Å; M93-I105 HydrophobicContact CB-CG1 4.22Å; Q94-I105 HydrophobicContact CG-CD1 3.62Å; N100-I105 HydrophobicContact CB-CD1 4.25Å; N100-I105 HydrophobicContact CB-CG1 3.7Å; S101-I105 WeakPolarHBondContact O-CG1 2.93Å; S101-I105 PolarHBondContact O-N 3.19Å; D102-I105 PolarHBondContact O-N 3.36Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 3.21Å; I105-K108 PolarHBondContact O-N 3.47Å; I105-C109 PolarHBondContact O-N 2.81Å; I105-C109 PolarHBondContact O-SG 2.79Å; I105-P123 HydrophobicContact CG2-CB 4.35Å
106A92.9Very high87.4Confident39 Ų3961.1 Ų61.132%0.32233%0.327SS..Hα-helixtrans-58.6-50178.200000112.2D102 E103 K108 C109 E110 P123D102-A106 PolarHBondContact O-N 2.97Å; E103-A106 PolarHBondContact O-N 2.59Å; A106-K108 VanDerWaalsContact C-N 3.29Å; A106-K108 PolarHBondContact O-N 2.83Å; A106-C109 WeakPolarHBondContact O-CB 3.33Å; A106-C109 PolarHBondContact O-N 2.83Å; A106-C109 VanDerWaalsContact O-N 3.14Å; A106-E110 PolarHBondContact O-N 3.03Å; A106-P123 HydrophobicContact CB-CG 3.93Å
107Q91.4Very high87.9Confident129 Ų12961.4 Ų61.460%0.60333%0.331SS*.Hα-helixtrans-59.7-38.5177.7-172.7-178.26.100112.5E103 E110 S111E103-Q107 WeakPolarHBondContact O-CB 2.87Å; E103-Q107 PolarHBondContact O-N 2.77Å; Q107-E110 PolarHBondContact O-N 3.38Å; Q107-S111 VanDerWaalsContact O-CB 3.31Å; Q107-S111 WeakPolarHBondContact O-CB 3.34Å; Q107-S111 PolarHBondContact O-N 2.8Å; Q107-S111 PolarHBondContact O-OG 2.88Å
108K92.3Very high88.4Confident41 Ų4163.5 Ų63.518%0.17835%0.346CS..Hα-helixtrans-68.3-34.5177.7-76175.3178.6178.40113N100 A104 I105 A106 S111 G112 E113 I114N100-K108 PolarHBondContact OD1-NZ 2.78Å; A104-K108 WeakPolarHBondContact O-CB 3.25Å; A104-K108 WeakPolarHBondContact O-CD 3.36Å; A104-K108 WeakPolarHBondContact O-CG 3.19Å; A104-K108 PolarHBondContact O-N 3.13Å; I105-K108 PolarHBondContact O-N 3.47Å; A106-K108 VanDerWaalsContact C-N 3.29Å; A106-K108 PolarHBondContact O-N 2.83Å; K108-S111 WeakPolarHBondContact CA-OG 3.38Å; K108-S111 PolarHBondContact O-OG 3.32Å; K108-G112 PolarHBondContact O-N 3.14Å; K108-E113 HydrophobicContact CB-CB 4.15Å; K108-E113 HydrophobicContact CG-CB 4.27Å; K108-E113 PolarHBondContact O-N 3.38Å; K108-I114 HydrophobicContact CB-CD1 3.58Å; K108-I114 HydrophobicContact CB-CG1 3.9Å; K108-I114 HydrophobicContact CD-CD1 4.21Å; K108-I114 PolarHBondContact O-N 3.15Å
109C94.1Very high89.7Confident2 Ų259.8 Ų59.81%0.01433%0.333CS..Hα-helixtrans-69.5-43.8174-65.30000111.2I105 A106 G112 V121 P123I105-C109 PolarHBondContact O-N 2.81Å; I105-C109 PolarHBondContact O-SG 2.79Å; A106-C109 WeakPolarHBondContact O-CB 3.33Å; A106-C109 PolarHBondContact O-N 2.83Å; A106-C109 VanDerWaalsContact O-N 3.14Å; C109-G112 PolarHBondContact O-N 2.8Å; C109-V121 WeakPolarHBondContact CB-O 3.18Å; C109-P123 HydrophobicContact CB-CG 4.12Å
110E93.8Very high91.5Very high153 Ų15359.9 Ų59.972%0.71533%0.327SS*.Hα-helixtrans-66.5-45.8179.8-174.9178-167.500112.8A106 Q107 G112 K120A106-E110 PolarHBondContact O-N 3.03Å; Q107-E110 PolarHBondContact O-N 3.38Å; E110-G112 PolarHBondContact O-N 2.75Å; E110-K120 WeakPolarHBondContact O-CE 3.3Å; E110-K120 PolarHBondContact O-NZ 3.47Å
111S92.2Very high92.7Very high65 Ų6559.4 Ų59.446%0.45533%0.326SS..Hα-helixtrans-65.2-23.5176.556.20000113Q107 K108Q107-S111 VanDerWaalsContact O-CB 3.31Å; Q107-S111 WeakPolarHBondContact O-CB 3.34Å; Q107-S111 PolarHBondContact O-N 2.8Å; Q107-S111 PolarHBondContact O-OG 2.88Å; K108-S111 WeakPolarHBondContact CA-OG 3.38Å; K108-S111 PolarHBondContact O-OG 3.32Å
112G92.5Very high93.3Very high20 Ų2061.3 Ų61.321%0.20633%0.331CS..THydrogen-bonded Turntrans86.217.4-174.700000114K108 C109 E110 I114K108-G112 PolarHBondContact O-N 3.14Å; C109-G112 PolarHBondContact O-N 2.8Å; E110-G112 PolarHBondContact O-N 2.75Å; G112-I114 VanDerWaalsContact C-N 3.35Å
113E92.5Very high93.7Very high55 Ų5558.5 Ų58.526%0.25732%0.317SS..SBendtrans-67.1-38.6167.2-76.4-178.7-148.300111.3K108 Q135 K136K108-E113 HydrophobicContact CB-CB 4.15Å; K108-E113 HydrophobicContact CG-CB 4.27Å; K108-E113 PolarHBondContact O-N 3.38Å; E113-Q135 CarbonylContact O-C 3.55Å; E113-Q135 WeakPolarHBondContact O-CA 3.22Å; E113-K136 PolarHBondContact O-N 3Å
114I94.9Very high94Very high4 Ų454.8 Ų54.82%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-101.9126171.9-64.3166.9000108.7L89 M93 K108 G112 S134 Q135L89-I114 HydrophobicContact CD2-CG2 3.99Å; M93-I114 HydrophobicContact CE-CD1 4.03Å; K108-I114 HydrophobicContact CB-CD1 3.58Å; K108-I114 HydrophobicContact CB-CG1 3.9Å; K108-I114 HydrophobicContact CD-CD1 4.21Å; K108-I114 PolarHBondContact O-N 3.15Å; G112-I114 VanDerWaalsContact C-N 3.35Å; I114-S134 WeakPolarHBondContact CA-O 3.45Å; I114-Q135 HydrophobicContact CG1-CB 4.35Å; I114-Q135 HydrophobicContact CG1-CG 3.87Å
115L96.4Very high94.4Very high39 Ų3956.5 Ų56.520%0.20430%0.303CS..EExtended strand (participates in β ladder)trans-130.4149176.6-51169.8000109.7A119 K120 S134L115-A119 VanDerWaalsContact CA-O 3.31Å; L115-A119 WeakPolarHBondContact CA-O 3.48Å; L115-A119 WeakPolarHBondContact CB-O 3.33Å; L115-K120 HydrophobicContact CD2-CB 4.48Å; L115-K120 HydrophobicContact CD2-CG 3.82Å; L115-S134 WeakPolarHBondContact CB-OG 3.39Å; L115-S134 PolarHBondContact N-O 3.43Å; L115-S134 PolarHBondContact O-N 3.04Å
116V96.5Very high94.7Very high3 Ų360.9 Ų60.92%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-116.8126.6167.1177.10000107.5L89 N118 A119 V121 Y125 D131 L132 L133L89-V116 HydrophobicContact CD2-CG2 4.49Å; V116-N118 PolarHBondContact O-N 2.88Å; V116-A119 PolarHBondContact N-O 2.87Å; V116-A119 PolarHBondContact O-N 2.85Å; V116-V121 HydrophobicContact CB-CG1 3.88Å; V116-V121 HydrophobicContact CB-CG2 4.11Å; V116-V121 HydrophobicContact CG2-CG1 4.33Å; V116-V121 HydrophobicContact CG2-CG2 3.66Å; V116-Y125 HydrophobicContact CB-CE1 4.38Å; V116-Y125 HydrophobicContact CG1-CE1 3.82Å; V116-Y125 HydrophobicContact CG2-CD1 4.25Å; V116-Y125 HydrophobicContact CG2-CE1 4.28Å; V116-D131 HydrophobicContact CG1-CB 3.94Å; V116-L132 WeakPolarHBondContact CA-O 3.47Å; V116-L133 HydrophobicContact CG2-CD1 4.34Å; V116-L133 HydrophobicContact CG2-CG 4.22Å
117N94.8Very high94.9Very high79 Ų7959 Ų5942%0.42231%0.31SS..THydrogen-bonded Turntrans52.939.2-177-57.3-39.7000113A119 D131 L132N117-A119 PolarHBondContact O-N 2.86Å; N117-D131 PolarHBondContact ND2-OD1 3.3Å; N117-L132 PolarHBondContact N-O 2.98Å; N117-L132 PolarHBondContact OD1-N 3.35Å
118N93.4Very high95.2Very high116 Ų11656.4 Ų56.462%0.6230%0.301SS*.THydrogen-bonded Turntrans62.315.3-175.5-53.4-45.7000115.5V116V116-N118 PolarHBondContact O-N 2.88Å
119A96.4Very high95.3Very high52 Ų5259.2 Ų59.243%0.4332%0.317SS..BIsolated β-bridgetrans-115.6149.6175.200000111.4L115 V116 N117L115-A119 VanDerWaalsContact CA-O 3.31Å; L115-A119 WeakPolarHBondContact CA-O 3.48Å; L115-A119 WeakPolarHBondContact CB-O 3.33Å; V116-A119 PolarHBondContact N-O 2.87Å; V116-A119 PolarHBondContact O-N 2.85Å; N117-A119 PolarHBondContact O-N 2.86Å
120K97Very high95.1Very high131 Ų13161.6 Ų61.657%0.5733%0.334SS*.  trans-66.8140.3169.2-64.9-172.6179.4-1690109.1E110 L115E110-K120 WeakPolarHBondContact O-CE 3.3Å; E110-K120 PolarHBondContact O-NZ 3.47Å; L115-K120 HydrophobicContact CD2-CB 4.48Å; L115-K120 HydrophobicContact CD2-CG 3.82Å
121V96.5Very high95.2Very high28 Ų2854.8 Ų54.817%0.1730%0.303CS..  trans-136.2159.8179.9-65.60000110.7L89 C109 V116 Y125L89-V121 HydrophobicContact CD2-CG2 3.68Å; C109-V121 WeakPolarHBondContact CB-O 3.18Å; V116-V121 HydrophobicContact CB-CG1 3.88Å; V116-V121 HydrophobicContact CB-CG2 4.11Å; V116-V121 HydrophobicContact CG2-CG1 4.33Å; V116-V121 HydrophobicContact CG2-CG2 3.66Å; V121-Y125 HydrophobicContact CB-CD2 4.19Å; V121-Y125 HydrophobicContact CB-CG 4.03Å; V121-Y125 HydrophobicContact CG1-CD2 4.04Å; V121-Y125 HydrophobicContact CG1-CE2 4.4Å; V121-Y125 HydrophobicContact CG1-CG 4.23Å; V121-Y125 HydrophobicContact CG2-CG 4.32Å
122D96.3Very high95.3Very high98 Ų9852.2 Ų52.252%0.52428%0.284SS..  trans-70.5148.1172.5-172.8-88.5000111.3D124 Y125D122-D124 PolarHBondContact O-N 2.91Å; D122-D124 WeakPolarHBondContact OD1-CA 3.36Å; D122-D124 VanDerWaalsContact OD1-CB 3.29Å; D122-D124 WeakPolarHBondContact OD1-CB 3.34Å; D122-D124 PolarHBondContact OD1-N 3.28Å; D122-Y125 WeakPolarHBondContact O-CB 3.4Å; D122-Y125 PolarHBondContact O-N 2.68Å
123P94.7Very high95.4Very high14 Ų1451.9 Ų51.99%0.09128%0.277CS..THydrogen-bonded Turntrans-59.2-23.2175.5-25.436.2000115R90 I105 A106 C109 Y125R90-P123 HydrophobicContact CB-CB 4.39Å; R90-P123 WeakPolarHBondContact CB-O 3.28Å; R90-P123 PolarHBondContact N-O 2.68Å; I105-P123 HydrophobicContact CG2-CB 4.35Å; A106-P123 HydrophobicContact CB-CG 3.93Å; C109-P123 HydrophobicContact CB-CG 4.12Å; P123-Y125 VanDerWaalsContact C-N 3.32Å
124D95.9Very high95.5Very high57 Ų5749.7 Ų49.731%0.30527%0.268SS..THydrogen-bonded Turntrans-86.12.5172.2-73.8-46.2000113.9K88 R90 D122 I126K88-D124 VanDerWaalsContact CD-OD1 3.28Å; K88-D124 WeakPolarHBondContact CD-OD1 3.45Å; K88-D124 VanDerWaalsContact CE-OD1 3.31Å; K88-D124 WeakPolarHBondContact CE-OD1 3.28Å; K88-D124 IonicContact NZ-OD1 3.13Å; K88-D124 PolarHBondContact NZ-OD1 3.31Å; K88-D124 IonicContact NZ-OD2 3.49Å; R90-D124 VanDerWaalsContact CZ-CG 3.49Å; R90-D124 IonicContact CZ-OD1 2.83Å; R90-D124 IonicContact CZ-OD2 3.94Å; R90-D124 IonicContact NE-OD1 3.66Å; R90-D124 PolarHBondContact NE-OD1 3.14Å; R90-D124 IonicContact NE-OD2 3.23Å; R90-D124 IonicContact NH2-OD1 2.77Å; R90-D124 PolarHBondContact NH2-OD1 3.24Å; R90-D124 IonicContact NH2-OD2 3.95Å; R90-D124 PolarHBondContact NH2-OD2 3.49Å; D122-D124 PolarHBondContact O-N 2.91Å; D122-D124 WeakPolarHBondContact OD1-CA 3.36Å; D122-D124 VanDerWaalsContact OD1-CB 3.29Å; D122-D124 WeakPolarHBondContact OD1-CB 3.34Å; D122-D124 PolarHBondContact OD1-N 3.28Å; D124-I126 PolarHBondContact O-N 2.89Å
125Y97.3Very high95.4Very high61 Ų6150.8 Ų50.824%0.23927%0.273CS..  trans-51.1128175.8175.6-91.4000110.8K88 L89 V116 V121 D122 P123 I127 N128 D131K88-Y125 CarbonylContact C-O 3.26Å; K88-Y125 WeakPolarHBondContact CA-O 3.47Å; L89-Y125 PolarHBondContact N-O 3.24Å; V116-Y125 HydrophobicContact CB-CE1 4.38Å; V116-Y125 HydrophobicContact CG1-CE1 3.82Å; V116-Y125 HydrophobicContact CG2-CD1 4.25Å; V116-Y125 HydrophobicContact CG2-CE1 4.28Å; V121-Y125 HydrophobicContact CB-CD2 4.19Å; V121-Y125 HydrophobicContact CB-CG 4.03Å; V121-Y125 HydrophobicContact CG1-CD2 4.04Å; V121-Y125 HydrophobicContact CG1-CE2 4.4Å; V121-Y125 HydrophobicContact CG1-CG 4.23Å; V121-Y125 HydrophobicContact CG2-CG 4.32Å; D122-Y125 WeakPolarHBondContact O-CB 3.4Å; D122-Y125 PolarHBondContact O-N 2.68Å; P123-Y125 VanDerWaalsContact C-N 3.32Å; Y125-I127 HydrophobicContact CD1-CG1 4.49Å; Y125-I127 PolarHBondContact O-N 3.32Å; Y125-N128 PolarHBondContact OH-ND2 3.42Å; Y125-D131 VanDerWaalsContact CE1-OD2 3.27Å; Y125-D131 WeakPolarHBondContact CE1-OD2 2.95Å; Y125-D131 PolarHBondContact OH-OD2 3.09Å
126I97.9Very high95.2Very high93 Ų9353.8 Ų53.848%0.47728%0.284SS..BIsolated β-bridgetrans-83.6115.4-179.9-59.9178.3000108.2D124 N128D124-I126 PolarHBondContact O-N 2.89Å; I126-N128 PolarHBondContact O-N 3.19Å; I126-N128 PolarHBondContact O-ND2 3.35Å
127I97.1Very high94.9Very high0 Ų055.1 Ų55.10%029%0.292CS..PPolyproline II helixtrans-66.9127-178.6-62.4174.1000109.9A80 W84 I85 N86 R87 L89 V92 Y125 D131 L133A80-I127 HydrophobicContact CB-CG2 3.66Å; W84-I127 HydrophobicContact CB-CD1 4.28Å; W84-I127 HydrophobicContact CB-CG2 4.29Å; I85-I127 CarbonylContact C-O 3.56Å; I85-I127 WeakPolarHBondContact CA-O 3.5Å; N86-I127 PolarHBondContact N-O 2.95Å; R87-I127 PolarHBondContact O-N 2.93Å; L89-I127 HydrophobicContact CD1-CD1 4.07Å; L89-I127 HydrophobicContact CD1-CG1 4.48Å; V92-I127 HydrophobicContact CB-CD1 3.95Å; V92-I127 HydrophobicContact CG1-CD1 4.07Å; V92-I127 HydrophobicContact CG2-CD1 3.9Å; Y125-I127 HydrophobicContact CD1-CG1 4.49Å; Y125-I127 PolarHBondContact O-N 3.32Å; I127-D131 HydrophobicContact CG2-CB 4.4Å; I127-L133 HydrophobicContact CD1-CD1 4.4Å; I127-L133 HydrophobicContact CD1-CD2 3.98Å; I127-L133 HydrophobicContact CG2-CD1 4.28Å
128N96.4Very high94.9Very high74 Ų7452.3 Ų52.340%0.39628%0.276SS..PPolyproline II helixtrans-100.1163.6177.9-65.3-63.5000111.8A80 Y125 I126 D131A80-N128 VanDerWaalsContact CB-O 3.27Å; A80-N128 WeakPolarHBondContact CB-O 3.3Å; Y125-N128 PolarHBondContact OH-ND2 3.42Å; I126-N128 PolarHBondContact O-N 3.19Å; I126-N128 PolarHBondContact O-ND2 3.35Å; N128-D131 PolarHBondContact N-OD2 2.78Å; N128-D131 WeakPolarHBondContact O-CB 3.46Å; N128-D131 PolarHBondContact O-N 3.16Å
129D94.2Very high94.8Very high100 Ų10048 Ų4854%0.53525%0.251SS..THydrogen-bonded Turntrans-58.2144.7170.5-174.840.2000110.6I85 D131I85-D129 HydrophobicContact CD1-CB 3.93Å; D129-D131 PolarHBondContact O-N 3.31Å; D129-D131 VanDerWaalsContact O-N 3.15Å
130S91.3Very high94.7Very high51 Ų5148.1 Ų48.136%0.35724%0.243SC..THydrogen-bonded Turntrans64.32.7-178.3-58.20000116.8L132S130-L132 PolarHBondContact O-N 2.89Å
131D95.4Very high94.6Very high11 Ų1142.7 Ų42.76%0.05922%0.22CC..  trans-59.2137.5172.6-83.3-14.3000110.8Y79 A80 V116 N117 Y125 I127 N128 D129 L133Y79-D131 CarbonylContact C-O 3.52Å; Y79-D131 WeakPolarHBondContact CA-O 3.43Å; A80-D131 HydrophobicContact CB-CB 4.1Å; A80-D131 PolarHBondContact N-O 3.35Å; V116-D131 HydrophobicContact CG1-CB 3.94Å; N117-D131 PolarHBondContact ND2-OD1 3.3Å; Y125-D131 VanDerWaalsContact CE1-OD2 3.27Å; Y125-D131 WeakPolarHBondContact CE1-OD2 2.95Å; Y125-D131 PolarHBondContact OH-OD2 3.09Å; I127-D131 HydrophobicContact CG2-CB 4.4Å; N128-D131 PolarHBondContact N-OD2 2.78Å; N128-D131 WeakPolarHBondContact O-CB 3.46Å; N128-D131 PolarHBondContact O-N 3.16Å; D129-D131 PolarHBondContact O-N 3.31Å; D129-D131 VanDerWaalsContact O-N 3.15Å; D131-L133 HydrophobicContact CB-CD1 4.23Å
132L94.2Very high94.4Very high11 Ų1143 Ų436%0.05822%0.223CC..EExtended strand (participates in β ladder)trans-100.2105.7172.7-178.263.3000109D48 K77 Y79 V116 N117 S130D48-L132 HydrophobicContact CB-CD2 4.4Å; K77-L132 HydrophobicContact CB-CD1 4.22Å; K77-L132 HydrophobicContact CD-CD2 4.46Å; Y79-L132 HydrophobicContact CD1-CB 4.18Å; Y79-L132 HydrophobicContact CD1-CD1 4.08Å; Y79-L132 HydrophobicContact CD2-CD1 4.18Å; Y79-L132 HydrophobicContact CE1-CB 3.92Å; Y79-L132 HydrophobicContact CE1-CD1 4.03Å; Y79-L132 HydrophobicContact CE1-CG 4.44Å; Y79-L132 HydrophobicContact CE2-CD1 4.11Å; Y79-L132 HydrophobicContact CG-CD1 4.16Å; V116-L132 WeakPolarHBondContact CA-O 3.47Å; N117-L132 PolarHBondContact N-O 2.98Å; N117-L132 PolarHBondContact OD1-N 3.35Å; S130-L132 PolarHBondContact O-N 2.89Å
133L94.5Very high94.4Very high13 Ų1339.2 Ų39.27%0.06820%0.204CC..EExtended strand (participates in β ladder)trans-80135.1171.1-82.166.7000108.6K77 A78 W84 L89 V116 I127 D131K77-L133 CarbonylContact C-O 3.55Å; K77-L133 VanDerWaalsContact CA-O 3.29Å; K77-L133 WeakPolarHBondContact CA-O 3.41Å; A78-L133 PolarHBondContact N-O 2.86Å; A78-L133 PolarHBondContact O-N 3.18Å; W84-L133 HydrophobicContact CE3-CD2 4.44Å; W84-L133 HydrophobicContact CZ3-CD2 4.4Å; L89-L133 HydrophobicContact CD1-CD2 3.75Å; L89-L133 HydrophobicContact CD1-CG 4.34Å; V116-L133 HydrophobicContact CG2-CD1 4.34Å; V116-L133 HydrophobicContact CG2-CG 4.22Å; I127-L133 HydrophobicContact CD1-CD1 4.4Å; I127-L133 HydrophobicContact CD1-CD2 3.98Å; I127-L133 HydrophobicContact CG2-CD1 4.28Å; D131-L133 HydrophobicContact CB-CD1 4.23Å
134S94Very high94.6Very high8 Ų838.6 Ų38.66%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-132.5140.3169.864.80000111.7F76 I114 L115F76-S134 CarbonylContact O-C 3.45Å; F76-S134 WeakPolarHBondContact O-CA 3.43Å; I114-S134 WeakPolarHBondContact CA-O 3.45Å; L115-S134 WeakPolarHBondContact CB-OG 3.39Å; L115-S134 PolarHBondContact N-O 3.43Å; L115-S134 PolarHBondContact O-N 3.04Å
135Q92.7Very high94.6Very high28 Ų2836.4 Ų36.413%0.13119%0.188CC..EExtended strand (participates in β ladder)trans-132.5116.7177.2-173.717915.400110.7V75 F76 E113 I114 V137V75-Q135 CarbonylContact C-O 3.55Å; V75-Q135 WeakPolarHBondContact CA-O 3.29Å; F76-Q135 PolarHBondContact N-O 2.94Å; F76-Q135 PolarHBondContact O-N 2.97Å; E113-Q135 CarbonylContact O-C 3.55Å; E113-Q135 WeakPolarHBondContact O-CA 3.22Å; I114-Q135 HydrophobicContact CG1-CB 4.35Å; I114-Q135 HydrophobicContact CG1-CG 3.87Å; Q135-V137 HydrophobicContact CG-CG1 3.86Å
136K92.3Very high94.6Very high102 Ų10236.6 Ų36.644%0.44319%0.193SC..EExtended strand (participates in β ladder)trans-76.8132.4168.1-171.2-179.6177.9-172.60109.2F74 V75 E113F74-K136 CarbonylContact O-C 3.43Å; F74-K136 WeakPolarHBondContact O-CA 3.41Å; V75-K136 HydrophobicContact CG2-CB 4.38Å; V75-K136 HydrophobicContact CG2-CG 4.36Å; E113-K136 PolarHBondContact O-N 3Å
137V91.3Very high94.5Very high31 Ų3135.9 Ų35.919%0.18819%0.19CC..EExtended strand (participates in β ladder)trans-137.7152.6175.8-59.90000110H73 F74 F76 Q135 R139H73-V137 WeakPolarHBondContact CA-O 3.42Å; F74-V137 HydrophobicContact CB-CG2 4.4Å; F74-V137 PolarHBondContact N-O 3.39Å; F74-V137 PolarHBondContact O-N 2.94Å; F76-V137 HydrophobicContact CD2-CG1 4.43Å; F76-V137 HydrophobicContact CD2-CG2 3.74Å; F76-V137 HydrophobicContact CE2-CG2 3.66Å; Q135-V137 HydrophobicContact CG-CG1 3.86Å; V137-R139 HydrophobicContact CG2-CG 3.63Å
138H93.1Very high94.4Very high19 Ų1940 Ų409%0.08822%0.217CC..EExtended strand (participates in β ladder)trans-91.1109.3166.5-170.6-123.3000108.8P71 H73 H140 C392 D394 C397 C400P71-H138 VanDerWaalsContact CB-CE1 3.41Å; P71-H138 WeakPolarHBondContact CB-CE1 3.45Å; H73-H138 AromaticContact CD2-CD2 3.95Å; H73-H138 AromaticContact CE1-CD2 3.86Å; H73-H138 AromaticContact NE2-CD2 3.75Å; H138-H140 AromaticContact CE1-NE2 3.67Å; H138-H140 AromaticContact ND1-NE2 3.34Å; H138-H140 PolarHBondContact ND1-NE2 3.24Å; H138-C392 PolarHBondContact CE1-O 3.5Å; H138-C392 PolarHBondContact NE2-O 3.24Å; H138-D394 HydrophobicContact CB-CB 4.29Å; H138-C397 HydrophobicContact CB-CB 3.84Å; H138-C397 PolarHBondContact ND1-SG 3.4Å; H138-C397 VanDerWaalsContact ND1-SG 3.41Å; H138-C400 PolarHBondContact CE1-SG 3.47Å; H138-C400 PolarHBondContact ND1-SG 2.89Å
139R92.5Very high94.4Very high25 Ų2536.9 Ų36.99%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-89.4135.4-170.7-69.1-171.76571.4-18111.8P71 Y72 F74 F76 V137 G173 T176P71-R139 VanDerWaalsContact CA-O 3.31Å; P71-R139 WeakPolarHBondContact CA-O 3.45Å; Y72-R139 HydrophobicContact CE1-CB 4.21Å; Y72-R139 HydrophobicContact CE2-CB 4.34Å; Y72-R139 PolarHBondContact N-O 3.44Å; Y72-R139 PolarHBondContact O-N 2.87Å; F74-R139 HydrophobicContact CB-CG 3.57Å; F74-R139 HydrophobicContact CG-CG 4.32Å; F76-R139 VanDerWaalsContact CE2-NH1 3.28Å; V137-R139 HydrophobicContact CG2-CG 3.63Å; R139-G173 PolarHBondContact NH2-O 2.79Å; R139-T176 PolarHBondContact NE-OG1 3.1Å; R139-T176 PolarHBondContact NH2-OG1 2.83Å
140H93.4Very high94.5Very high56 Ų5636.4 Ų36.426%0.25919%0.194SC..  trans-119.5109.6166.6-64.3-100.9000107.1P71 H138 C400P71-H140 WeakPolarHBondContact CG-ND1 3.41Å; H138-H140 AromaticContact CE1-NE2 3.67Å; H138-H140 AromaticContact ND1-NE2 3.34Å; H138-H140 PolarHBondContact ND1-NE2 3.24Å; H140-C400 VanDerWaalsContact CE1-SG 3.53Å; H140-C400 PolarHBondContact NE2-SG 2.96Å; H140-C400 VanDerWaalsContact NE2-SG 3.4Å
141E95.2Very high94.8Very high17 Ų1737.6 Ų37.68%0.07919%0.193CC..PPolyproline II helixtrans-79.9143.5177.1-62.9-165.8-150.300110.6V69 Y72 Q174 T176 L177 N178V69-E141 HydrophobicContact CB-CB 4.28Å; V69-E141 HydrophobicContact CG2-CB 4.38Å; Y72-E141 HydrophobicContact CE1-CG 4.25Å; Y72-E141 WeakPolarHBondContact CE1-OE1 3.49Å; Y72-E141 PolarHBondContact OH-OE1 3.41Å; E141-Q174 VanDerWaalsContact CA-O 3.27Å; E141-Q174 WeakPolarHBondContact CA-O 3.48Å; E141-Q174 WeakPolarHBondContact CB-O 3.3Å; E141-Q174 WeakPolarHBondContact CG-O 3.35Å; E141-T176 VanDerWaalsContact CD-N 3.28Å; E141-T176 WeakPolarHBondContact OE1-CB 3.24Å; E141-T176 PolarHBondContact OE1-N 3.23Å; E141-T176 PolarHBondContact OE2-N 3.03Å; E141-L177 WeakPolarHBondContact OE1-CB 3.25Å; E141-L177 PolarHBondContact OE1-N 2.8Å; E141-L177 PolarHBondContact OE2-N 2.83Å; E141-L177 VanDerWaalsContact OE2-N 3.11Å; E141-N178 WeakPolarHBondContact OE2-CB 3.18Å; E141-N178 PolarHBondContact OE2-N 2.94Å
142C93.4Very high95Very high34 Ų3439.4 Ų39.423%0.2321%0.205CC..PPolyproline II helixtrans-66.3143.4173.2-770000110.5Q174 Y175 N178C142-Q174 PolarHBondContact SG-OE1 3.07Å; C142-Y175 HydrophobicContact CB-CE1 3.69Å; C142-Y175 WeakPolarHBondContact CB-OH 3.26Å; C142-Y175 WeakPolarHBondContact O-CE1 3.47Å; C142-N178 PolarHBondContact O-ND2 3.35Å; C142-N178 VanDerWaalsContact O-ND2 3.17Å
143P95.7Very high95.1Very high19 Ų1942.2 Ų42.212%0.12322%0.217CC..PPolyproline II helixtrans-57.2147.1172.7-22.933000111.8F66 K68 P407F66-P143 HydrophobicContact CB-CB 4.15Å; F66-P143 HydrophobicContact CD1-CB 3.8Å; F66-P143 HydrophobicContact CE1-CB 4.45Å; F66-P143 HydrophobicContact CG-CB 4.08Å; K68-P143 HydrophobicContact CD-CG 4.25Å; K68-P143 HydrophobicContact CG-CB 4.02Å; K68-P143 HydrophobicContact CG-CG 4.1Å; P143-P407 HydrophobicContact CB-CG 4.19Å; P143-P407 HydrophobicContact CG-CG 4.5Å
144V97.7Very high95.3Very high0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-124.5166.1168.1-59.20000108.8F66 R67 S166 I167 Y175 N178F66-V144 CarbonylContact C-O 3.59Å; F66-V144 WeakPolarHBondContact CA-O 3.35Å; R67-V144 HydrophobicContact CB-CG2 3.94Å; R67-V144 HydrophobicContact CG-CG2 4.3Å; R67-V144 PolarHBondContact N-O 3.21Å; R67-V144 PolarHBondContact O-N 2.94Å; R67-V144 VanDerWaalsContact O-N 3.12Å; V144-S166 WeakPolarHBondContact CG1-O 3.26Å; V144-I167 HydrophobicContact CB-CG1 4.02Å; V144-I167 HydrophobicContact CG1-CG1 4.45Å; V144-I167 HydrophobicContact CG2-CD1 4.26Å; V144-I167 HydrophobicContact CG2-CG1 4.01Å; V144-Y175 HydrophobicContact CG1-CD1 3.98Å; V144-Y175 HydrophobicContact CG1-CE1 3.63Å; V144-N178 HydrophobicContact CG1-CB 3.91Å; V144-N178 HydrophobicContact CG2-CB 4.14Å
145L97.6Very high95.4Very high11 Ų1147 Ų476%0.05825%0.245CC..EExtended strand (participates in β ladder)trans-67.5138.4175.8-65.7171.1000110.6I65 L147 P165 S166 M409 L412 I413I65-L145 HydrophobicContact CD1-CD2 4.09Å; L145-L147 HydrophobicContact CB-CD1 4.15Å; L145-L147 HydrophobicContact CB-CG 4.08Å; L145-L147 HydrophobicContact CD1-CD1 4.09Å; L145-L147 PolarHBondContact O-N 3.35Å; L145-P165 HydrophobicContact CD1-CG 4.17Å; L145-S166 WeakPolarHBondContact CB-OG 3.33Å; L145-S166 PolarHBondContact N-OG 3.09Å; L145-M409 HydrophobicContact CD2-SD 4.38Å; L145-L412 HydrophobicContact CD1-CB 4.2Å; L145-L412 HydrophobicContact CD2-CD1 3.91Å; L145-L412 HydrophobicContact CG-CB 4.27Å; L145-L412 HydrophobicContact CG-CD1 4.24Å; L145-I413 HydrophobicContact CD1-CD1 3.85Å; L145-I413 HydrophobicContact CD1-CG1 3.69Å
146N96.4Very high95.5Very high65 Ų6552.8 Ų52.835%0.34828%0.277SS..  trans-83.858.3174.6-170.639.2000111.3T62 I65 R67T62-N146 VanDerWaalsContact CG2-ND2 3.35Å; T62-N146 WeakPolarHBondContact CG2-ND2 3.27Å; I65-N146 WeakPolarHBondContact O-CB 3.42Å; I65-N146 PolarHBondContact O-N 3.47Å; R67-N146 HydrophobicContact CB-CB 4.12Å
147L95.8Very high95.6Very high79 Ų7951.5 Ų51.541%0.41428%0.275SS..  trans-96.7142.9175.1-66.4172.8000110L145 P164 P165L145-L147 HydrophobicContact CB-CD1 4.15Å; L145-L147 HydrophobicContact CB-CG 4.08Å; L145-L147 HydrophobicContact CD1-CD1 4.09Å; L145-L147 PolarHBondContact O-N 3.35Å; L147-P164 HydrophobicContact CB-CB 3.82Å; L147-P164 HydrophobicContact CD1-CB 4.25Å; L147-P165 HydrophobicContact CD1-CG 4.23Å
148P94.8Very high95.8Very high87 Ų8750.3 Ų50.357%0.56527%0.267SS*.  trans-64.2153.8174.428.8-34.5000110.9
149I96.8Very high96.1Very high8 Ų849.4 Ų49.44%0.04126%0.263CS..  trans-87.9115.3168.7-61176.5000106.5F151 V161 P164 I180 I183 L184 Y188I149-F151 HydrophobicContact CB-CE2 4.38Å; I149-F151 HydrophobicContact CG2-CE2 4.16Å; I149-F151 VanDerWaalsContact O-CD2 3.26Å; I149-F151 WeakPolarHBondContact O-CD2 3.14Å; I149-F151 WeakPolarHBondContact O-CE2 3.37Å; I149-V161 HydrophobicContact CG2-CB 3.85Å; I149-V161 HydrophobicContact CG2-CG1 3.94Å; I149-V161 HydrophobicContact CG2-CG2 4.3Å; I149-P164 HydrophobicContact CG1-CG 4.33Å; I149-I180 HydrophobicContact CD1-CD1 3.93Å; I149-I180 HydrophobicContact CG1-CD1 4.42Å; I149-I183 HydrophobicContact CD1-CB 4.19Å; I149-I183 HydrophobicContact CD1-CG2 3.57Å; I149-L184 HydrophobicContact CD1-CD2 3.94Å; I149-L184 HydrophobicContact CD1-CG 4.21Å; I149-L184 HydrophobicContact CG2-CD2 4.29Å; I149-Y188 HydrophobicContact CD1-CE2 4.34Å
150E97.1Very high96.3Very high90 Ų9048.2 Ų48.242%0.42126%0.259SS..EExtended strand (participates in β ladder)trans-84129.8178-73.1170.2-169.100110.4V161 N162 P431E150-V161 CarbonylContact O-C 3.12Å; E150-V161 VanDerWaalsContact O-CA 3.24Å; E150-V161 WeakPolarHBondContact O-CA 3.35Å; E150-V161 WeakPolarHBondContact O-CB 3.48Å; E150-N162 HydrophobicContact CB-CB 4.03Å; E150-N162 PolarHBondContact O-N 3.49Å; E150-N162 PolarHBondContact OE2-ND2 2.86Å; E150-P431 VanDerWaalsContact OE2-CG 3.25Å; E150-P431 WeakPolarHBondContact OE2-CG 3.43Å
151F97.8Very high96.6Very high75 Ų7545.6 Ų45.633%0.32925%0.246SC..EExtended strand (participates in β ladder)trans-94.4112179.8-72.4-118.3000108.3I149 L159 L184 Y188 L190I149-F151 HydrophobicContact CB-CE2 4.38Å; I149-F151 HydrophobicContact CG2-CE2 4.16Å; I149-F151 VanDerWaalsContact O-CD2 3.26Å; I149-F151 WeakPolarHBondContact O-CD2 3.14Å; I149-F151 WeakPolarHBondContact O-CE2 3.37Å; F151-L159 HydrophobicContact CD1-CD1 3.37Å; F151-L159 HydrophobicContact CE1-CD1 3.59Å; F151-L159 HydrophobicContact CE1-CD2 4.23Å; F151-L159 HydrophobicContact CG-CD1 4.4Å; F151-L184 HydrophobicContact CE2-CD2 4.49Å; F151-L184 HydrophobicContact CZ-CD2 3.86Å; F151-Y188 AromaticContact CE2-CD1 3.82Å; F151-Y188 HydrophobicContact CE2-CD1 3.82Å; F151-Y188 AromaticContact CE2-CE1 3.52Å; F151-Y188 HydrophobicContact CE2-CE1 3.52Å; F151-Y188 HydrophobicContact CE2-CG 4.46Å; F151-Y188 AromaticContact CE2-CZ 3.94Å; F151-Y188 AromaticContact CZ-CD1 3.64Å; F151-Y188 HydrophobicContact CZ-CD1 3.64Å; F151-Y188 AromaticContact CZ-CE1 3.87Å; F151-Y188 HydrophobicContact CZ-CE1 3.87Å; F151-Y188 HydrophobicContact CZ-CG 4.01Å; F151-L190 HydrophobicContact CE1-CD1 3.6Å; F151-L190 HydrophobicContact CZ-CD1 3.83Å
152V98Very high96.7Very high50 Ų5045.7 Ų45.730%0.30325%0.248SC..EExtended strand (participates in β ladder)trans-84.9-40.7-178.81740000110.6V160 N162 L206 S429V152-V160 HydrophobicContact CB-CB 4.39Å; V152-V160 HydrophobicContact CB-CG1 4.07Å; V152-V160 HydrophobicContact CG1-CG1 4.29Å; V152-V160 PolarHBondContact N-O 3.24Å; V152-N162 HydrophobicContact CG2-CB 4.03Å; V152-L206 HydrophobicContact CG1-CD1 4.41Å; V152-L206 HydrophobicContact CG2-CD1 4.47Å; V152-S429 WeakPolarHBondContact CG1-O 3.47Å
153H97.7Very high96.9Very high69 Ų6944.1 Ų44.132%0.31924%0.237SC..EExtended strand (participates in β ladder)trans-151.9138.7176.6179.475.9000109.8V160 Y428H153-V160 HydrophobicContact CB-CB 3.98Å; H153-V160 HydrophobicContact CB-CG2 4.09Å; H153-V160 PolarHBondContact N-O 2.75Å; H153-V160 VanDerWaalsContact N-O 3.13Å; H153-V160 PolarHBondContact O-N 3.18Å; H153-Y428 HydrophobicContact CB-CD1 3.99Å; H153-Y428 HydrophobicContact CB-CE1 3.68Å; H153-Y428 AromaticContact CD2-CE1 3.68Å; H153-Y428 AromaticContact CD2-CZ 3.82Å; H153-Y428 PolarHBondContact CD2-OH 2.98Å; H153-Y428 AromaticContact CG-CE1 3.55Å
154D97Very high97Very high85 Ų8543.6 Ų43.646%0.45523%0.233SC..EExtended strand (participates in β ladder)trans-140110.9178.2-164.729.5000110.5L159 K211D154-L159 HydrophobicContact CB-CD1 4.17Å; D154-L159 WeakPolarHBondContact OD1-CD1 3.49Å; D154-K211 VanDerWaalsContact CG-NZ 3.33Å; D154-K211 WeakPolarHBondContact OD1-CE 3.44Å; D154-K211 IonicContact OD1-NZ 3.28Å; D154-K211 PolarHBondContact OD1-NZ 3.44Å; D154-K211 IonicContact OD2-NZ 2.86Å; D154-K211 PolarHBondContact OD2-NZ 3.31Å
155S96.1Very high97Very high36 Ų3644.3 Ų44.325%0.25224%0.238SC..  trans-122.3-179.117664.80000110.5D157 I158 K211S155-D157 PolarHBondContact O-N 3.34Å; S155-D157 PolarHBondContact OG-N 3.44Å; S155-I158 PolarHBondContact N-O 3.11Å; S155-I158 VanDerWaalsContact OG-CG2 3.32Å; S155-I158 WeakPolarHBondContact OG-CG2 3.42Å; S155-I158 PolarHBondContact OG-N 3.21Å; S155-I158 VanDerWaalsContact OG-N 3.12Å; S155-I158 PolarHBondContact OG-O 3.17Å; S155-I158 VanDerWaalsContact OG-O 3.05Å; S155-K211 VanDerWaalsContact O-CD 3.29Å; S155-K211 WeakPolarHBondContact O-CD 3.49Å; S155-K211 VanDerWaalsContact O-CE 3.22Å; S155-K211 WeakPolarHBondContact O-CE 3.4Å; S155-K211 PolarHBondContact O-NZ 2.91Å
156D95Very high97Very high150 Ų15043.8 Ų43.880%0.80224%0.236SC*.SBendtrans-64.6-26.5174.9-65.9-26.9000112.6
157D95.4Very high97.1Very high75 Ų7540.8 Ų40.840%0.40122%0.22SC..SBendtrans-100.6-39.5-172.1-74.1-39.1000114.1S155 K211 N212 T215S155-D157 PolarHBondContact O-N 3.34Å; S155-D157 PolarHBondContact OG-N 3.44Å; D157-K211 PolarHBondContact O-N 2.85Å; D157-N212 PolarHBondContact OD1-ND2 2.81Å; D157-T215 HydrophobicContact CB-CG2 4.45Å; D157-T215 WeakPolarHBondContact CB-OG1 3.5Å
158I96Very high97.1Very high7 Ų737.3 Ų37.34%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-138135.7-170.8-169.3174.5000110.9S155 V160 L208 T215 L219 Y428S155-I158 PolarHBondContact N-O 3.11Å; S155-I158 VanDerWaalsContact OG-CG2 3.32Å; S155-I158 WeakPolarHBondContact OG-CG2 3.42Å; S155-I158 PolarHBondContact OG-N 3.21Å; S155-I158 VanDerWaalsContact OG-N 3.12Å; S155-I158 PolarHBondContact OG-O 3.17Å; S155-I158 VanDerWaalsContact OG-O 3.05Å; I158-V160 HydrophobicContact CD1-CG2 4.07Å; I158-V160 HydrophobicContact CG1-CG2 4.07Å; I158-L208 HydrophobicContact CD1-CB 4.45Å; I158-L208 HydrophobicContact CD1-CD2 4.32Å; I158-T215 HydrophobicContact CB-CG2 4.26Å; I158-L219 HydrophobicContact CD1-CD1 3.85Å; I158-L219 HydrophobicContact CD1-CD2 4.37Å; I158-L219 HydrophobicContact CG1-CD1 4.41Å; I158-Y428 HydrophobicContact CD1-CE2 4.29Å
159L97.9Very high97.2Very high0 Ų033.4 Ų33.40%018%0.176CC..EExtended strand (participates in β ladder)trans-108.7131167.4170.164.8000108.3F151 D154 V161 L184 L190 L193 I209 K211F151-L159 HydrophobicContact CD1-CD1 3.37Å; F151-L159 HydrophobicContact CE1-CD1 3.59Å; F151-L159 HydrophobicContact CE1-CD2 4.23Å; F151-L159 HydrophobicContact CG-CD1 4.4Å; D154-L159 HydrophobicContact CB-CD1 4.17Å; D154-L159 WeakPolarHBondContact OD1-CD1 3.49Å; L159-V161 HydrophobicContact CD1-CG1 3.9Å; L159-V161 HydrophobicContact CD2-CG1 4.19Å; L159-V161 HydrophobicContact CG-CG1 3.9Å; L159-L184 HydrophobicContact CD2-CD1 4.24Å; L159-L190 HydrophobicContact CD2-CD1 4Å; L159-L193 HydrophobicContact CD2-CD1 4.42Å; L159-L193 HydrophobicContact CD2-CD2 4.47Å; L159-I209 HydrophobicContact CB-CB 4.23Å; L159-I209 HydrophobicContact CD2-CD1 4.06Å; L159-I209 HydrophobicContact CG-CD1 4.33Å; L159-I209 PolarHBondContact N-O 3.47Å; L159-I209 WeakPolarHBondContact O-CA 3.19Å; L159-I209 WeakPolarHBondContact O-CB 3.46Å; L159-I209 PolarHBondContact O-N 3.17Å; L159-I209 VanDerWaalsContact O-O 3.13Å; L159-K211 HydrophobicContact CB-CG 4.44Å
160V98.1Very high97.1Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-122.7122.6176.6-174.40000108.2V152 H153 I158 L206 L207 L208 Y428V152-V160 HydrophobicContact CB-CB 4.39Å; V152-V160 HydrophobicContact CB-CG1 4.07Å; V152-V160 HydrophobicContact CG1-CG1 4.29Å; V152-V160 PolarHBondContact N-O 3.24Å; H153-V160 HydrophobicContact CB-CB 3.98Å; H153-V160 HydrophobicContact CB-CG2 4.09Å; H153-V160 PolarHBondContact N-O 2.75Å; H153-V160 VanDerWaalsContact N-O 3.13Å; H153-V160 PolarHBondContact O-N 3.18Å; I158-V160 HydrophobicContact CD1-CG2 4.07Å; I158-V160 HydrophobicContact CG1-CG2 4.07Å; V160-L206 HydrophobicContact CG1-CD1 3.3Å; V160-L206 HydrophobicContact CG1-CG 3.93Å; V160-L207 WeakPolarHBondContact CA-O 3.24Å; V160-L208 HydrophobicContact CB-CD2 4.38Å; V160-L208 HydrophobicContact CG1-CD2 3.87Å; V160-L208 HydrophobicContact CG2-CD2 3.7Å; V160-Y428 HydrophobicContact CG1-CG 4.26Å; V160-Y428 HydrophobicContact CG2-CD1 4.28Å; V160-Y428 HydrophobicContact CG2-CD2 3.88Å; V160-Y428 HydrophobicContact CG2-CE1 4.3Å; V160-Y428 HydrophobicContact CG2-CE2 3.91Å; V160-Y428 HydrophobicContact CG2-CG 4.08Å
161V98.3Very high96.8Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-121.9149.2-179.2-57.60000110.8I149 E150 L159 K163 L206 L207 I209I149-V161 HydrophobicContact CG2-CB 3.85Å; I149-V161 HydrophobicContact CG2-CG1 3.94Å; I149-V161 HydrophobicContact CG2-CG2 4.3Å; E150-V161 CarbonylContact O-C 3.12Å; E150-V161 VanDerWaalsContact O-CA 3.24Å; E150-V161 WeakPolarHBondContact O-CA 3.35Å; E150-V161 WeakPolarHBondContact O-CB 3.48Å; L159-V161 HydrophobicContact CD1-CG1 3.9Å; L159-V161 HydrophobicContact CD2-CG1 4.19Å; L159-V161 HydrophobicContact CG-CG1 3.9Å; V161-K163 PolarHBondContact O-N 2.92Å; V161-L206 WeakPolarHBondContact O-CA 3.42Å; V161-L207 HydrophobicContact CG2-CB 3.82Å; V161-L207 HydrophobicContact CG2-CD2 4.14Å; V161-L207 HydrophobicContact CG2-CG 4.3Å; V161-L207 PolarHBondContact N-O 3.3Å; V161-L207 PolarHBondContact O-N 3.42Å; V161-I209 HydrophobicContact CG1-CD1 4.43Å; V161-I209 HydrophobicContact CG2-CD1 4Å
162N98.4Very high96.4Very high20 Ų2034 Ų3411%0.10719%0.19CC..EExtended strand (participates in β ladder)trans-85.299.7160.7173.124.7000107.4E150 V152 P164 G205 A430 P431E150-N162 HydrophobicContact CB-CB 4.03Å; E150-N162 PolarHBondContact O-N 3.49Å; E150-N162 PolarHBondContact OE2-ND2 2.86Å; V152-N162 HydrophobicContact CG2-CB 4.03Å; N162-P164 WeakPolarHBondContact O-CD 3.31Å; N162-G205 WeakPolarHBondContact OD1-CA 3.27Å; N162-G205 PolarHBondContact OD1-N 3.19Å; N162-A430 HydrophobicContact CB-CB 4.22Å; N162-P431 HydrophobicContact CB-CG 4.5Å; N162-P431 WeakPolarHBondContact ND2-CG 3.23Å
163K98.1Very high95.8Very high0 Ų034.9 Ų34.90%021%0.209CC..EExtended strand (participates in β ladder)trans-65.8121.5-178.6-164.9-16967.456.70108.7V161 I167 I169 I180 L199 R201 T203 S204 G205 L207V161-K163 PolarHBondContact O-N 2.92Å; K163-I167 PolarHBondContact NZ-O 3.48Å; K163-I169 HydrophobicContact CD-CG1 4.02Å; K163-I180 HydrophobicContact CD-CD1 4.17Å; K163-I180 HydrophobicContact CD-CG1 3.76Å; K163-I180 HydrophobicContact CG-CD1 3.58Å; K163-I180 HydrophobicContact CG-CG1 3.72Å; K163-L199 HydrophobicContact CB-CD2 4.27Å; K163-L199 HydrophobicContact CD-CD2 4.44Å; K163-R201 PolarHBondContact NZ-O 3.47Å; K163-T203 WeakPolarHBondContact CE-O 3.22Å; K163-T203 PolarHBondContact NZ-O 3.23Å; K163-S204 CarbonylContact O-C 3.55Å; K163-S204 VanDerWaalsContact O-CA 3.23Å; K163-S204 WeakPolarHBondContact O-CA 3.33Å; K163-G205 WeakPolarHBondContact CB-O 3.47Å; K163-G205 PolarHBondContact N-O 3.29Å; K163-G205 PolarHBondContact O-N 3.32Å; K163-L207 HydrophobicContact CB-CB 4.36Å; K163-L207 HydrophobicContact CD-CD2 4.39Å
164P97.6Very high95.4Very high8 Ų836.2 Ų36.25%0.05222%0.215CC..PPolyproline II helixtrans-62.2153.517226.7-34.5000110.4L147 I149 N162 I167L147-P164 HydrophobicContact CB-CB 3.82Å; L147-P164 HydrophobicContact CD1-CB 4.25Å; I149-P164 HydrophobicContact CG1-CG 4.33Å; N162-P164 WeakPolarHBondContact O-CD 3.31Å; P164-I167 HydrophobicContact CG-CD1 3.81Å; P164-I167 HydrophobicContact CG-CG1 4.42Å
165P97.5Very high95.3Very high16 Ų1632.9 Ų32.910%0.10420%0.197CC..THydrogen-bonded Turntrans-63.7173.6171.129.9-33.7000110.5L145 L147 I167 M202 I413L145-P165 HydrophobicContact CD1-CG 4.17Å; L147-P165 HydrophobicContact CD1-CG 4.23Å; P165-I167 PolarHBondContact O-N 3.32Å; P165-I167 VanDerWaalsContact O-N 3.11Å; P165-M202 WeakPolarHBondContact CB-O 3.39Å; P165-I413 HydrophobicContact CB-CB 4.44Å; P165-I413 HydrophobicContact CB-CG1 4.13Å; P165-I413 HydrophobicContact CB-CG2 4.4Å; P165-I413 HydrophobicContact CG-CG1 3.94Å; P165-I413 HydrophobicContact CG-CG2 4.48Å
166S97.5Very high95.2Very high0 Ų031.5 Ų31.50%019%0.187CC..THydrogen-bonded Turntrans68.6-15-178790000118.4V144 L145 R201 L412V144-S166 WeakPolarHBondContact CG1-O 3.26Å; L145-S166 WeakPolarHBondContact CB-OG 3.33Å; L145-S166 PolarHBondContact N-OG 3.09Å; S166-R201 VanDerWaalsContact C-CG 3.44Å; S166-R201 CarbonylContact C-O 3.48Å; S166-R201 WeakPolarHBondContact CA-O 3.4Å; S166-R201 PolarHBondContact N-O 2.86Å; S166-R201 WeakPolarHBondContact O-CD 3.35Å; S166-R201 WeakPolarHBondContact O-CG 3.25Å; S166-L412 VanDerWaalsContact CA-O 3.23Å; S166-L412 WeakPolarHBondContact CA-O 3.5Å; S166-L412 WeakPolarHBondContact CB-O 3.31Å; S166-L412 PolarHBondContact N-O 3.28Å
167I97.7Very high95.3Very high2 Ų224.4 Ų24.41%0.0115%0.148CC..  trans-104.6123.4-175.7-49.3-174.6000111.1V144 K163 P164 P165 I180 I183 R201V144-I167 HydrophobicContact CB-CG1 4.02Å; V144-I167 HydrophobicContact CG1-CG1 4.45Å; V144-I167 HydrophobicContact CG2-CD1 4.26Å; V144-I167 HydrophobicContact CG2-CG1 4.01Å; K163-I167 PolarHBondContact NZ-O 3.48Å; P164-I167 HydrophobicContact CG-CD1 3.81Å; P164-I167 HydrophobicContact CG-CG1 4.42Å; P165-I167 PolarHBondContact O-N 3.32Å; P165-I167 VanDerWaalsContact O-N 3.11Å; I167-I180 HydrophobicContact CB-CD1 4.12Å; I167-I180 HydrophobicContact CG2-CD1 3.75Å; I167-I180 HydrophobicContact CG2-CG1 3.95Å; I167-I183 HydrophobicContact CD1-CD1 3.8Å; I167-I183 HydrophobicContact CG2-CD1 3.95Å; I167-R201 PolarHBondContact N-O 3.39Å
168P97.2Very high95.3Very high5 Ų520.8 Ų20.83%0.03213%0.129CC..  trans-73.4154.8171.332.1-32.7000111.2Y175 N178 S179 I180 R201P168-Y175 HydrophobicContact CG-CD1 4.39Å; P168-Y175 HydrophobicContact CG-CD2 4.17Å; P168-Y175 HydrophobicContact CG-CG 3.78Å; P168-N178 WeakPolarHBondContact CD-O 3.26Å; P168-N178 WeakPolarHBondContact CG-O 3.41Å; P168-S179 CarbonylContact O-C 3.53Å; P168-S179 WeakPolarHBondContact O-CA 3.4Å; P168-S179 WeakPolarHBondContact O-CB 3.46Å; P168-I180 PolarHBondContact O-N 3.34Å; P168-R201 HydrophobicContact CB-CB 4.33Å; P168-R201 HydrophobicContact CB-CG 4.44Å
169I96.7Very high95.4Very high6 Ų620.5 Ų20.53%0.03113%0.128CC..SBendtrans-68.4-51.8179.9-66.4171.6000111.6K163 I180 T181 F195 R198 L199 L207K163-I169 HydrophobicContact CD-CG1 4.02Å; I169-I180 PolarHBondContact O-N 2.76Å; I169-T181 WeakPolarHBondContact O-CG2 3.23Å; I169-T181 PolarHBondContact O-N 2.94Å; I169-T181 PolarHBondContact O-OG1 2.89Å; I169-F195 HydrophobicContact CG2-CB 4.25Å; I169-F195 HydrophobicContact CG2-CD1 3.29Å; I169-F195 HydrophobicContact CG2-CE1 3.69Å; I169-F195 HydrophobicContact CG2-CG 3.78Å; I169-F195 HydrophobicContact CG2-CZ 4.48Å; I169-R198 HydrophobicContact CD1-CB 4.34Å; I169-L199 HydrophobicContact CD1-CB 3.94Å; I169-L207 HydrophobicContact CD1-CD1 3.57Å; I169-L207 HydrophobicContact CD1-CD2 4.05Å; I169-L207 HydrophobicContact CD1-CG 4.47Å; I169-L207 HydrophobicContact CG1-CD1 4.36Å; I169-L207 HydrophobicContact CG1-CD2 3.92Å; I169-L207 HydrophobicContact CG2-CD2 4.48Å
170H93.2Very high95.3Very high73 Ų7320.5 Ų20.534%0.33813%0.128SC..SBendtrans-111.6161.7-177.3-61.4-76.7000110.8C172 T181 F195H170-C172 PolarHBondContact O-N 2.86Å; H170-C172 VanDerWaalsContact O-N 3.17Å; H170-T181 VanDerWaalsContact ND1-CG2 3.33Å; H170-T181 WeakPolarHBondContact ND1-CG2 3.28Å; H170-F195 AromaticContact CE1-CD2 3.5Å; H170-F195 AromaticContact CE1-CG 3.61Å; H170-F195 WeakPolarHBondContact NE2-CB 3.32Å; H170-F195 AromaticContact NE2-CG 3.84Å
171P92.6Very high95.2Very high46 Ų4621.5 Ų21.530%0.29913%0.134SC..  trans-50.4122.1165.7-28.336.9000111.1Y175 T176 T181 H182P171-Y175 CarbonylContact C-O 3.57Å; P171-Y175 VanDerWaalsContact CA-O 3.24Å; P171-Y175 WeakPolarHBondContact CA-O 3.32Å; P171-T176 HydrophobicContact CB-CG2 4.23Å; P171-T176 HydrophobicContact CG-CG2 4.36Å; P171-T181 WeakPolarHBondContact CD-OG1 3.47Å; P171-H182 WeakPolarHBondContact CG-CE1 3.36Å
172C88.6Confident95Very high67 Ų6721.9 Ų21.945%0.45314%0.136SC..BIsolated β-bridgetrans-155.9139.8176.566.20000110.9H170 Q174 Y175H170-C172 PolarHBondContact O-N 2.86Å; H170-C172 VanDerWaalsContact O-N 3.17Å; C172-Q174 PolarHBondContact O-N 3.43Å; C172-Q174 VanDerWaalsContact O-N 3.16Å; C172-Y175 PolarHBondContact N-O 2.88Å; C172-Y175 WeakPolarHBondContact O-CB 3.31Å; C172-Y175 PolarHBondContact O-N 3.07Å
173G86.3Confident94.9Very high68 Ų6821 Ų2170%0.70113%0.131SC*.THydrogen-bonded Turntrans55.2-119.3178.700000112.7R139 Y175R139-G173 PolarHBondContact NH2-O 2.79Å; G173-Y175 VanDerWaalsContact C-N 3.28Å; G173-Y175 PolarHBondContact O-N 3.29Å
174Q89.3Confident94.8Very high96 Ų9621 Ų2145%0.44913%0.131SC..THydrogen-bonded Turntrans-855.6179.5-69.8172.1-45.600113.9E141 C142 C172E141-Q174 VanDerWaalsContact CA-O 3.27Å; E141-Q174 WeakPolarHBondContact CA-O 3.48Å; E141-Q174 WeakPolarHBondContact CB-O 3.3Å; E141-Q174 WeakPolarHBondContact CG-O 3.35Å; C142-Q174 PolarHBondContact SG-OE1 3.07Å; C172-Q174 PolarHBondContact O-N 3.43Å; C172-Q174 VanDerWaalsContact O-N 3.16Å
175Y94.1Very high94.7Very high16 Ų1621.3 Ų21.36%0.06313%0.134CC..BIsolated β-bridgetrans-117.4128.7-176.9-55.9-82.5000110.1C142 V144 P168 P171 C172 G173 N178 R201C142-Y175 HydrophobicContact CB-CE1 3.69Å; C142-Y175 WeakPolarHBondContact CB-OH 3.26Å; C142-Y175 WeakPolarHBondContact O-CE1 3.47Å; V144-Y175 HydrophobicContact CG1-CD1 3.98Å; V144-Y175 HydrophobicContact CG1-CE1 3.63Å; P168-Y175 HydrophobicContact CG-CD1 4.39Å; P168-Y175 HydrophobicContact CG-CD2 4.17Å; P168-Y175 HydrophobicContact CG-CG 3.78Å; P171-Y175 CarbonylContact C-O 3.57Å; P171-Y175 VanDerWaalsContact CA-O 3.24Å; P171-Y175 WeakPolarHBondContact CA-O 3.32Å; C172-Y175 PolarHBondContact N-O 2.88Å; C172-Y175 WeakPolarHBondContact O-CB 3.31Å; C172-Y175 PolarHBondContact O-N 3.07Å; G173-Y175 VanDerWaalsContact C-N 3.28Å; G173-Y175 PolarHBondContact O-N 3.29Å; Y175-N178 HydrophobicContact CD1-CB 3.97Å; Y175-R201 PolarHBondContact OH-NH1 3.34Å
176T94.1Very high94.5Very high7 Ų723.3 Ų23.34%0.04314%0.141CC..SBendtrans-133.2-69.2175.1-56.70000108.4Y72 F74 R139 E141 P171 S179 H182Y72-T176 WeakPolarHBondContact OH-CB 3.42Å; F74-T176 HydrophobicContact CE2-CG2 4.16Å; F74-T176 HydrophobicContact CZ-CG2 4.38Å; R139-T176 PolarHBondContact NE-OG1 3.1Å; R139-T176 PolarHBondContact NH2-OG1 2.83Å; E141-T176 VanDerWaalsContact CD-N 3.28Å; E141-T176 WeakPolarHBondContact OE1-CB 3.24Å; E141-T176 PolarHBondContact OE1-N 3.23Å; E141-T176 PolarHBondContact OE2-N 3.03Å; P171-T176 HydrophobicContact CB-CG2 4.23Å; P171-T176 HydrophobicContact CG-CG2 4.36Å; T176-S179 WeakPolarHBondContact O-CB 3.44Å; T176-S179 PolarHBondContact O-OG 2.85Å; T176-H182 PolarHBondContact O-ND1 2.65Å
177L96.1Very high94.4Very high0 Ų026.5 Ų26.50%016%0.158CC..SBendtrans-72.9-35174.7-63.7-177.7000111.8I57 S58 Y60 V69 Y72 E141 S179 H182I57-L177 HydrophobicContact CG2-CD1 3.87Å; I57-L177 HydrophobicContact CG2-CD2 4.12Å; I57-L177 HydrophobicContact CG2-CG 4.24Å; S58-L177 WeakPolarHBondContact O-CD1 3.38Å; Y60-L177 HydrophobicContact CE1-CB 3.9Å; Y60-L177 PolarHBondContact OH-O 3.45Å; V69-L177 HydrophobicContact CG1-CB 4.29Å; V69-L177 HydrophobicContact CG1-CD1 3.73Å; V69-L177 HydrophobicContact CG2-CB 4.04Å; Y72-L177 HydrophobicContact CE1-CD1 4.18Å; E141-L177 WeakPolarHBondContact OE1-CB 3.25Å; E141-L177 PolarHBondContact OE1-N 2.8Å; E141-L177 PolarHBondContact OE2-N 2.83Å; E141-L177 VanDerWaalsContact OE2-N 3.11Å; L177-S179 PolarHBondContact O-N 3.05Å; L177-H182 HydrophobicContact CD2-CB 4.4Å; L177-H182 WeakPolarHBondContact O-CB 3.43Å
178N96.7Very high94.2Very high0 Ų030.9 Ų30.90%018%0.175CC..SBendtrans-75.661169.1-83.9-20.5000110.6R67 E141 C142 V144 P168 Y175R67-N178 WeakPolarHBondContact CD-OD1 3.44Å; R67-N178 PolarHBondContact O-ND2 3.16Å; E141-N178 WeakPolarHBondContact OE2-CB 3.18Å; E141-N178 PolarHBondContact OE2-N 2.94Å; C142-N178 PolarHBondContact O-ND2 3.35Å; C142-N178 VanDerWaalsContact O-ND2 3.17Å; V144-N178 HydrophobicContact CG1-CB 3.91Å; V144-N178 HydrophobicContact CG2-CB 4.14Å; P168-N178 WeakPolarHBondContact CD-O 3.26Å; P168-N178 WeakPolarHBondContact CG-O 3.41Å; Y175-N178 HydrophobicContact CD1-CB 3.97Å
179S96.7Very high94Very high0 Ų033.5 Ų33.50%020%0.203CC..SBendtrans-139.2150.8172.468.40000110.5P168 T176 L177 T181 H182 I183P168-S179 CarbonylContact O-C 3.53Å; P168-S179 WeakPolarHBondContact O-CA 3.4Å; P168-S179 WeakPolarHBondContact O-CB 3.46Å; T176-S179 WeakPolarHBondContact O-CB 3.44Å; T176-S179 PolarHBondContact O-OG 2.85Å; L177-S179 PolarHBondContact O-N 3.05Å; S179-T181 PolarHBondContact O-N 3.44Å; S179-T181 PolarHBondContact OG-OG1 3.31Å; S179-H182 PolarHBondContact O-N 2.72Å; S179-H182 PolarHBondContact OG-ND1 2.98Å; S179-H182 VanDerWaalsContact OG-ND1 3.17Å; S179-I183 WeakPolarHBondContact O-CG1 3.37Å; S179-I183 PolarHBondContact O-N 3.07Å
180I96.8Very high93.8Very high0 Ų035.1 Ų35.10%021%0.211CC..Hα-helixtrans-55-41.8-179.3-62.7-63.3000111.3I149 K163 I167 P168 I169 H182 I183 L184 F195 L207I149-I180 HydrophobicContact CD1-CD1 3.93Å; I149-I180 HydrophobicContact CG1-CD1 4.42Å; K163-I180 HydrophobicContact CD-CD1 4.17Å; K163-I180 HydrophobicContact CD-CG1 3.76Å; K163-I180 HydrophobicContact CG-CD1 3.58Å; K163-I180 HydrophobicContact CG-CG1 3.72Å; I167-I180 HydrophobicContact CB-CD1 4.12Å; I167-I180 HydrophobicContact CG2-CD1 3.75Å; I167-I180 HydrophobicContact CG2-CG1 3.95Å; P168-I180 PolarHBondContact O-N 3.34Å; I169-I180 PolarHBondContact O-N 2.76Å; I180-H182 VanDerWaalsContact C-N 3.29Å; I180-H182 PolarHBondContact O-N 3.04Å; I180-I183 PolarHBondContact O-N 2.95Å; I180-L184 HydrophobicContact CG2-CD1 3.55Å; I180-L184 HydrophobicContact CG2-CG 3.99Å; I180-L184 VanDerWaalsContact O-CB 3.31Å; I180-L184 WeakPolarHBondContact O-CB 3.4Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.24Å; I180-L184 PolarHBondContact O-N 2.98Å; I180-F195 HydrophobicContact CG2-CE1 4.06Å; I180-F195 HydrophobicContact CG2-CZ 4.34Å; I180-L207 HydrophobicContact CG2-CD2 4.08Å
181T95Very high93.6Very high21 Ų2137 Ų3713%0.12922%0.216CC..Hα-helixtrans-57.1-39.1177.156.70000113.8I169 H170 P171 S179 A185 F195I169-T181 WeakPolarHBondContact O-CG2 3.23Å; I169-T181 PolarHBondContact O-N 2.94Å; I169-T181 PolarHBondContact O-OG1 2.89Å; H170-T181 VanDerWaalsContact ND1-CG2 3.33Å; H170-T181 WeakPolarHBondContact ND1-CG2 3.28Å; P171-T181 WeakPolarHBondContact CD-OG1 3.47Å; S179-T181 PolarHBondContact O-N 3.44Å; S179-T181 PolarHBondContact OG-OG1 3.31Å; T181-A185 WeakPolarHBondContact O-CB 3.23Å; T181-A185 PolarHBondContact O-N 3.48Å; T181-F195 HydrophobicContact CG2-CD2 3.79Å; T181-F195 HydrophobicContact CG2-CE1 4.37Å; T181-F195 HydrophobicContact CG2-CE2 3.25Å; T181-F195 HydrophobicContact CG2-CZ 3.59Å
182H95.2Very high93.4Very high8 Ų839.5 Ų39.54%0.03723%0.232CC..Hα-helixtrans-84.5-38.9-178-79.477.5000111.8Y52 P171 T176 L177 S179 I180 A185 K186Y52-H182 PolarHBondContact O-CE1 3.4Å; Y52-H182 PolarHBondContact O-NE2 3.27Å; P171-H182 WeakPolarHBondContact CG-CE1 3.36Å; T176-H182 PolarHBondContact O-ND1 2.65Å; L177-H182 HydrophobicContact CD2-CB 4.4Å; L177-H182 WeakPolarHBondContact O-CB 3.43Å; S179-H182 PolarHBondContact O-N 2.72Å; S179-H182 PolarHBondContact OG-ND1 2.98Å; S179-H182 VanDerWaalsContact OG-ND1 3.17Å; I180-H182 VanDerWaalsContact C-N 3.29Å; I180-H182 PolarHBondContact O-N 3.04Å; H182-A185 PolarHBondContact O-N 2.82Å; H182-K186 WeakPolarHBondContact O-CB 3.4Å; H182-K186 PolarHBondContact O-N 2.83Å
183I96.1Very high93.6Very high3 Ų337.8 Ų37.82%0.01522%0.218CC..Hα-helixtrans-64.2-47.3176.9-64.8168.6000110.2Y60 I149 I167 S179 I180 A185 K186 D187 Y188Y60-I183 WeakPolarHBondContact OH-CG1 3.34Å; I149-I183 HydrophobicContact CD1-CB 4.19Å; I149-I183 HydrophobicContact CD1-CG2 3.57Å; I167-I183 HydrophobicContact CD1-CD1 3.8Å; I167-I183 HydrophobicContact CG2-CD1 3.95Å; S179-I183 WeakPolarHBondContact O-CG1 3.37Å; S179-I183 PolarHBondContact O-N 3.07Å; I180-I183 PolarHBondContact O-N 2.95Å; I183-A185 VanDerWaalsContact C-N 3.3Å; I183-A185 PolarHBondContact O-N 3.07Å; I183-K186 PolarHBondContact O-N 2.94Å; I183-D187 HydrophobicContact CG2-CB 4.42Å; I183-D187 WeakPolarHBondContact O-CB 3.45Å; I183-D187 PolarHBondContact O-N 3.2Å; I183-Y188 HydrophobicContact CG2-CE2 4.34Å
184L96Very high94Very high0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-60.8-39.8175.8-71.2177.6000112.1I149 F151 L159 I180 Y188 G189 L190 L193 F195 I209I149-L184 HydrophobicContact CD1-CD2 3.94Å; I149-L184 HydrophobicContact CD1-CG 4.21Å; I149-L184 HydrophobicContact CG2-CD2 4.29Å; F151-L184 HydrophobicContact CE2-CD2 4.49Å; F151-L184 HydrophobicContact CZ-CD2 3.86Å; L159-L184 HydrophobicContact CD2-CD1 4.24Å; I180-L184 HydrophobicContact CG2-CD1 3.55Å; I180-L184 HydrophobicContact CG2-CG 3.99Å; I180-L184 VanDerWaalsContact O-CB 3.31Å; I180-L184 WeakPolarHBondContact O-CB 3.4Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.24Å; I180-L184 PolarHBondContact O-N 2.98Å; L184-Y188 HydrophobicContact CD2-CD2 4.04Å; L184-Y188 HydrophobicContact CD2-CE2 4.45Å; L184-Y188 HydrophobicContact CD2-CG 4.49Å; L184-Y188 CarbonylContact O-C 3.43Å; L184-Y188 WeakPolarHBondContact O-CB 3.26Å; L184-Y188 PolarHBondContact O-N 3.1Å; L184-G189 PolarHBondContact O-N 3.27Å; L184-L190 HydrophobicContact CB-CB 4.34Å; L184-L190 HydrophobicContact CD2-CD1 4.26Å; L184-L190 PolarHBondContact O-N 3.4Å; L184-L193 HydrophobicContact CB-CD1 3.98Å; L184-L193 HydrophobicContact CD1-CD1 3.65Å; L184-L193 HydrophobicContact CG-CD1 4.47Å; L184-F195 HydrophobicContact CD1-CZ 4.43Å; L184-I209 HydrophobicContact CD1-CD1 3.71Å
185A94.4Very high94.2Very high13 Ų1336.9 Ų36.911%0.10719%0.19CC..Hα-helixtrans-68.7-40.6177.900000112.7T181 H182 I183 G189 R191T181-A185 WeakPolarHBondContact O-CB 3.23Å; T181-A185 PolarHBondContact O-N 3.48Å; H182-A185 PolarHBondContact O-N 2.82Å; I183-A185 VanDerWaalsContact C-N 3.3Å; I183-A185 PolarHBondContact O-N 3.07Å; A185-G189 VanDerWaalsContact O-CA 3.28Å; A185-G189 WeakPolarHBondContact O-CA 3.43Å; A185-G189 PolarHBondContact O-N 2.86Å; A185-R191 HydrophobicContact CB-CB 4.35Å
186K94.4Very high94Very high58 Ų5837 Ų3725%0.25219%0.193SC..Hα-helixtrans-84.9-50.4-173.1-175.5165.2-177.8170.50113.2S55 S58 D59 Y60 H182 I183S55-K186 WeakPolarHBondContact O-CD 3.27Å; S58-K186 PolarHBondContact O-NZ 2.98Å; D59-K186 WeakPolarHBondContact OD1-CE 3.25Å; D59-K186 IonicContact OD1-NZ 3.59Å; D59-K186 PolarHBondContact OD1-NZ 2.98Å; Y60-K186 HydrophobicContact CD2-CD 4.18Å; Y60-K186 HydrophobicContact CE2-CB 4.38Å; Y60-K186 HydrophobicContact CE2-CD 3.62Å; Y60-K186 HydrophobicContact CE2-CG 4.26Å; H182-K186 WeakPolarHBondContact O-CB 3.4Å; H182-K186 PolarHBondContact O-N 2.83Å; I183-K186 PolarHBondContact O-N 2.94Å
187D94.3Very high94Very high68 Ų6838 Ų3836%0.36420%0.197SC..Hα-helixtrans-84.6-25.6-172.2-63.64.8000111Y60 R67 I183Y60-D187 WeakPolarHBondContact CE2-OD1 3.34Å; R67-D187 IonicContact CZ-OD2 3.42Å; R67-D187 VanDerWaalsContact CZ-OD2 3.28Å; R67-D187 IonicContact NH1-OD1 2.71Å; R67-D187 IonicContact NH1-OD2 3Å; R67-D187 PolarHBondContact NH1-OD2 3.44Å; R67-D187 IonicContact NH2-OD2 3.2Å; R67-D187 PolarHBondContact NH2-OD2 2.94Å; I183-D187 HydrophobicContact CG2-CB 4.42Å; I183-D187 WeakPolarHBondContact O-CB 3.45Å; I183-D187 PolarHBondContact O-N 3.2Å
188Y94.4Very high93.9Very high94 Ų9446.1 Ų46.137%0.36923%0.228SC..SBendtrans-120.4-3.7-175.7-55.8-95.7000114I149 F151 I183 L184 L190I149-Y188 HydrophobicContact CD1-CE2 4.34Å; F151-Y188 AromaticContact CE2-CD1 3.82Å; F151-Y188 HydrophobicContact CE2-CD1 3.82Å; F151-Y188 AromaticContact CE2-CE1 3.52Å; F151-Y188 HydrophobicContact CE2-CE1 3.52Å; F151-Y188 HydrophobicContact CE2-CG 4.46Å; F151-Y188 AromaticContact CE2-CZ 3.94Å; F151-Y188 AromaticContact CZ-CD1 3.64Å; F151-Y188 HydrophobicContact CZ-CD1 3.64Å; F151-Y188 AromaticContact CZ-CE1 3.87Å; F151-Y188 HydrophobicContact CZ-CE1 3.87Å; F151-Y188 HydrophobicContact CZ-CG 4.01Å; I183-Y188 HydrophobicContact CG2-CE2 4.34Å; L184-Y188 HydrophobicContact CD2-CD2 4.04Å; L184-Y188 HydrophobicContact CD2-CE2 4.45Å; L184-Y188 HydrophobicContact CD2-CG 4.49Å; L184-Y188 CarbonylContact O-C 3.43Å; L184-Y188 WeakPolarHBondContact O-CB 3.26Å; L184-Y188 PolarHBondContact O-N 3.1Å; Y188-L190 PolarHBondContact O-N 2.84Å
189G93.3Very high93.8Very high60 Ų6046.6 Ų46.662%0.61923%0.23SC*.  trans66.115.8-177.700000114.5L184 A185 R191L184-G189 PolarHBondContact O-N 3.27Å; A185-G189 VanDerWaalsContact O-CA 3.28Å; A185-G189 WeakPolarHBondContact O-CA 3.43Å; A185-G189 PolarHBondContact O-N 2.86Å; G189-R191 PolarHBondContact O-N 2.97Å
190L92.6Very high93.8Very high39 Ų3948.8 Ų48.820%0.20424%0.242CC..  trans-8998.2-173.2-65.1172000111.4F151 L159 L184 Y188 L193F151-L190 HydrophobicContact CE1-CD1 3.6Å; F151-L190 HydrophobicContact CZ-CD1 3.83Å; L159-L190 HydrophobicContact CD2-CD1 4Å; L184-L190 HydrophobicContact CB-CB 4.34Å; L184-L190 HydrophobicContact CD2-CD1 4.26Å; L184-L190 PolarHBondContact O-N 3.4Å; Y188-L190 PolarHBondContact O-N 2.84Å; L190-L193 HydrophobicContact CB-CD1 4.03Å; L190-L193 WeakPolarHBondContact O-CD1 3.35Å
191R87.9Confident93.7Very high113 Ų11352.4 Ų52.443%0.42626%0.256SS..  trans-158.9147.5175.1-172.7-179.4-76.2-173.1-3.9110.4E53 A185 G189E53-R191 PolarHBondContact O-NH1 3.19Å; E53-R191 PolarHBondContact O-NH2 2.97Å; E53-R191 VanDerWaalsContact O-NH2 3.15Å; A185-R191 HydrophobicContact CB-CB 4.35Å; G189-R191 PolarHBondContact O-N 2.97Å
192P88.8Confident93.8Very high98 Ų9852.3 Ų52.364%0.63625%0.254SS*.SBendcis-76.2146.2-5.232.6-34.6000112.6
193L93.3Very high93.9Very high31 Ų3152 Ų5216%0.16225%0.253CS..  trans-122.7147.2174.9-68.4176.7000109.6L159 L184 L190 F195 I209 K211L159-L193 HydrophobicContact CD2-CD1 4.42Å; L159-L193 HydrophobicContact CD2-CD2 4.47Å; L184-L193 HydrophobicContact CB-CD1 3.98Å; L184-L193 HydrophobicContact CD1-CD1 3.65Å; L184-L193 HydrophobicContact CG-CD1 4.47Å; L190-L193 HydrophobicContact CB-CD1 4.03Å; L190-L193 WeakPolarHBondContact O-CD1 3.35Å; L193-F195 HydrophobicContact CB-CE2 3.75Å; L193-F195 HydrophobicContact CB-CZ 4.19Å; L193-F195 HydrophobicContact CD1-CZ 4.31Å; L193-I209 HydrophobicContact CB-CG2 3.7Å; L193-I209 HydrophobicContact CD1-CG2 4.16Å; L193-I209 HydrophobicContact CD2-CG2 3.91Å; L193-I209 HydrophobicContact CG-CG2 4.13Å; L193-K211 HydrophobicContact CD2-CG 4.13Å
194R94.4Very high94Very high110 Ų11052.1 Ų52.142%0.41525%0.254SS..EExtended strand (participates in β ladder)trans-121.6110.6-177.8-63-174.9174-74.5-3.2110.5A210 N212 S216R194-A210 HydrophobicContact CB-CB 4.09Å; R194-A210 WeakPolarHBondContact CB-O 3.29Å; R194-A210 PolarHBondContact N-O 3.33Å; R194-A210 PolarHBondContact O-N 3.29Å; R194-N212 WeakPolarHBondContact CD-O 3.37Å; R194-S216 VanDerWaalsContact CD-CB 3.48Å
195F93.9Very high94.2Very high35 Ų3552.1 Ų52.115%0.15425%0.254CS..EExtended strand (participates in β ladder)trans-92.3113-179.5-60.8-96.6000109I169 H170 I180 T181 L184 L193 L207 I209I169-F195 HydrophobicContact CG2-CB 4.25Å; I169-F195 HydrophobicContact CG2-CD1 3.29Å; I169-F195 HydrophobicContact CG2-CE1 3.69Å; I169-F195 HydrophobicContact CG2-CG 3.78Å; I169-F195 HydrophobicContact CG2-CZ 4.48Å; H170-F195 AromaticContact CE1-CD2 3.5Å; H170-F195 AromaticContact CE1-CG 3.61Å; H170-F195 WeakPolarHBondContact NE2-CB 3.32Å; H170-F195 AromaticContact NE2-CG 3.84Å; I180-F195 HydrophobicContact CG2-CE1 4.06Å; I180-F195 HydrophobicContact CG2-CZ 4.34Å; T181-F195 HydrophobicContact CG2-CD2 3.79Å; T181-F195 HydrophobicContact CG2-CE1 4.37Å; T181-F195 HydrophobicContact CG2-CE2 3.25Å; T181-F195 HydrophobicContact CG2-CZ 3.59Å; L184-F195 HydrophobicContact CD1-CZ 4.43Å; L193-F195 HydrophobicContact CB-CE2 3.75Å; L193-F195 HydrophobicContact CB-CZ 4.19Å; L193-F195 HydrophobicContact CD1-CZ 4.31Å; F195-L207 HydrophobicContact CD1-CD1 4.48Å; F195-L207 HydrophobicContact CD1-CD2 4.2Å; F195-L207 HydrophobicContact CE1-CD2 4.02Å; F195-I209 HydrophobicContact CD1-CD1 4.32Å; F195-I209 HydrophobicContact CD1-CG1 3.95Å; F195-I209 HydrophobicContact CD1-CG2 4.26Å; F195-I209 HydrophobicContact CE1-CB 4.48Å; F195-I209 HydrophobicContact CE1-CD1 3.55Å; F195-I209 HydrophobicContact CE1-CG1 3.68Å; F195-I209 HydrophobicContact CE1-CG2 4.01Å; F195-I209 HydrophobicContact CE2-CG2 4.33Å; F195-I209 HydrophobicContact CZ-CD1 4.1Å; F195-I209 HydrophobicContact CZ-CG1 4.44Å; F195-I209 HydrophobicContact CZ-CG2 4.04Å
196T90.1Very high94.3Very high19 Ų1951.5 Ų51.512%0.11725%0.249CC..  trans-92.1-15.7-173.254.10000113.4S216 L219 Q220T196-S216 VanDerWaalsContact CG2-O 3.26Å; T196-S216 WeakPolarHBondContact CG2-O 3.49Å; T196-S216 WeakPolarHBondContact CG2-OG 3.45Å; T196-L219 HydrophobicContact CG2-CB 4.03Å; T196-Q220 HydrophobicContact CG2-CB 4.46Å
197H93.4Very high94.5Very high29 Ų2948.8 Ų48.813%0.13424%0.237CC..SBendtrans-143179.8174.97081.7000110.4L208 I223 Y421H197-L208 PolarHBondContact NE2-N 3.23Å; H197-I223 HydrophobicContact CB-CD1 3.96Å; H197-Y421 AromaticContact CE1-CE2 3.65Å; H197-Y421 AromaticContact NE2-CE2 3.73Å
198R93.4Very high94.6Very high169 Ų16945.5 Ų45.564%0.63822%0.219SC*.  trans-129.6145.9-179-54.9-171.7-56.4153.68111I169I169-R198 HydrophobicContact CD1-CB 4.34Å
199L95.5Very high94.8Very high11 Ų1141 Ų416%0.05820%0.202CC..  trans-121.4135.9167.6-167.759000107.1K163 I169 T203 Y232 A418K163-L199 HydrophobicContact CB-CD2 4.27Å; K163-L199 HydrophobicContact CD-CD2 4.44Å; I169-L199 HydrophobicContact CD1-CB 3.94Å; L199-T203 HydrophobicContact CD1-CG2 3.42Å; L199-T203 VanDerWaalsContact CD1-CG2 3.42Å; L199-T203 HydrophobicContact CD2-CG2 4.47Å; L199-T203 HydrophobicContact CG-CG2 3.99Å; L199-Y232 HydrophobicContact CD1-CE1 3.98Å; L199-A418 HydrophobicContact CD1-CB 4.05Å; L199-A418 HydrophobicContact CD2-CB 4.17Å
200D95.6Very high95Very high46 Ų4638.2 Ų38.225%0.24617%0.172CC..  trans-66.5157.8-176.5-63-35.6000111.2M202 T203 H314D200-M202 PolarHBondContact O-N 2.97Å; D200-T203 PolarHBondContact O-N 3.48Å; D200-H314 IonicContact OD2-CD2 2.8Å; D200-H314 PolarHBondContact OD2-CD2 3.21Å; D200-H314 VanDerWaalsContact OD2-CD2 3.27Å
201R96.5Very high95.1Very high76 Ų7639 Ų3929%0.28717%0.174SC..THydrogen-bonded Turntrans-48-54-176.7-179.6-172.577.9-169.7-1.4112.8K163 S166 I167 P168 Y175 N411K163-R201 PolarHBondContact NZ-O 3.47Å; S166-R201 VanDerWaalsContact C-CG 3.44Å; S166-R201 CarbonylContact C-O 3.48Å; S166-R201 WeakPolarHBondContact CA-O 3.4Å; S166-R201 PolarHBondContact N-O 2.86Å; S166-R201 WeakPolarHBondContact O-CD 3.35Å; S166-R201 WeakPolarHBondContact O-CG 3.25Å; I167-R201 PolarHBondContact N-O 3.39Å; P168-R201 HydrophobicContact CB-CB 4.33Å; P168-R201 HydrophobicContact CB-CG 4.44Å; Y175-R201 PolarHBondContact OH-NH1 3.34Å; R201-N411 PolarHBondContact NH2-O 3.31Å
202M96.8Very high95.4Very high18 Ų1835.8 Ų35.89%0.08917%0.165CC..THydrogen-bonded Turntrans-82.6-15.6-172.9-58-175-55.600113.4P165 D200 P331 N411 L414P165-M202 WeakPolarHBondContact CB-O 3.39Å; D200-M202 PolarHBondContact O-N 2.97Å; M202-P331 HydrophobicContact CE-CG 3.89Å; M202-P331 HydrophobicContact SD-CG 4.19Å; M202-N411 VanDerWaalsContact SD-C 3.5Å; M202-L414 HydrophobicContact CB-CB 3.76Å; M202-L414 PolarHBondContact O-N 3.21Å; M202-L414 VanDerWaalsContact O-N 3.14Å
203T97.9Very high95.6Very high2 Ų238 Ų381%0.01216%0.162CC..  trans-79.7128.7-179.8-55.20000109.3K163 L199 D200 L416K163-T203 WeakPolarHBondContact CE-O 3.22Å; K163-T203 PolarHBondContact NZ-O 3.23Å; L199-T203 HydrophobicContact CD1-CG2 3.42Å; L199-T203 VanDerWaalsContact CD1-CG2 3.42Å; L199-T203 HydrophobicContact CD2-CG2 4.47Å; L199-T203 HydrophobicContact CG-CG2 3.99Å; D200-T203 PolarHBondContact O-N 3.48Å; T203-L416 HydrophobicContact CG2-CB 4.29Å; T203-L416 HydrophobicContact CG2-CD2 4.03Å; T203-L416 HydrophobicContact CG2-CG 3.84Å; T203-L416 WeakPolarHBondContact CG2-O 3.47Å
204S98.2Very high95.8Very high6 Ų642.3 Ų42.34%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-93.5170.4176.858.80000111.4K163 L416 H417 A418K163-S204 CarbonylContact O-C 3.55Å; K163-S204 VanDerWaalsContact O-CA 3.23Å; K163-S204 WeakPolarHBondContact O-CA 3.33Å; S204-L416 PolarHBondContact N-O 3.31Å; S204-H417 CarbonylContact O-C 3.49Å; S204-H417 WeakPolarHBondContact O-CA 3.43Å; S204-H417 PolarHBondContact OG-ND1 2.69Å; S204-A418 PolarHBondContact O-N 2.76Å
205G98.2Very high95.8Very high0 Ų037.3 Ų37.30%017%0.167CC..EExtended strand (participates in β ladder)trans111.2-163.8170.500000114.9N162 K163 L207 H417 A418N162-G205 WeakPolarHBondContact OD1-CA 3.27Å; N162-G205 PolarHBondContact OD1-N 3.19Å; K163-G205 WeakPolarHBondContact CB-O 3.47Å; K163-G205 PolarHBondContact N-O 3.29Å; K163-G205 PolarHBondContact O-N 3.32Å; G205-L207 PolarHBondContact O-N 2.95Å; G205-H417 WeakPolarHBondContact CA-CE1 3.49Å; G205-A418 CarbonylContact C-O 3.48Å; G205-A418 WeakPolarHBondContact CA-O 3.41Å
206L97.9Very high95.9Very high0 Ų036.4 Ų36.40%017%0.165CC..EExtended strand (participates in β ladder)trans-59.6123.4-165.6-15873.4000113.5V152 V160 V161 L208 A418 Y421 Y428 A430V152-L206 HydrophobicContact CG1-CD1 4.41Å; V152-L206 HydrophobicContact CG2-CD1 4.47Å; V160-L206 HydrophobicContact CG1-CD1 3.3Å; V160-L206 HydrophobicContact CG1-CG 3.93Å; V161-L206 WeakPolarHBondContact O-CA 3.42Å; L206-L208 HydrophobicContact CD2-CD2 4.46Å; L206-A418 HydrophobicContact CB-CB 4.44Å; L206-A418 WeakPolarHBondContact CB-O 3.44Å; L206-A418 PolarHBondContact N-O 3.31Å; L206-Y421 HydrophobicContact CB-CE2 4.49Å; L206-Y421 HydrophobicContact CD2-CD1 4.42Å; L206-Y421 HydrophobicContact CD2-CD2 3.78Å; L206-Y421 HydrophobicContact CD2-CE2 4.48Å; L206-Y421 HydrophobicContact CD2-CG 3.74Å; L206-Y421 HydrophobicContact CG-CD2 4.39Å; L206-Y428 VanDerWaalsContact CD2-O 3.28Å; L206-Y428 WeakPolarHBondContact CD2-O 3.27Å; L206-A430 HydrophobicContact CB-CB 4.25Å; L206-A430 HydrophobicContact CD1-CB 4.22Å
207L98.1Very high96.1Very high0 Ų038.6 Ų38.60%018%0.178CC..EExtended strand (participates in β ladder)trans-125.2120.9172.7176.561.9000109.5V160 V161 K163 I169 I180 F195 G205 I209V160-L207 WeakPolarHBondContact CA-O 3.24Å; V161-L207 HydrophobicContact CG2-CB 3.82Å; V161-L207 HydrophobicContact CG2-CD2 4.14Å; V161-L207 HydrophobicContact CG2-CG 4.3Å; V161-L207 PolarHBondContact N-O 3.3Å; V161-L207 PolarHBondContact O-N 3.42Å; K163-L207 HydrophobicContact CB-CB 4.36Å; K163-L207 HydrophobicContact CD-CD2 4.39Å; I169-L207 HydrophobicContact CD1-CD1 3.57Å; I169-L207 HydrophobicContact CD1-CD2 4.05Å; I169-L207 HydrophobicContact CD1-CG 4.47Å; I169-L207 HydrophobicContact CG1-CD1 4.36Å; I169-L207 HydrophobicContact CG1-CD2 3.92Å; I169-L207 HydrophobicContact CG2-CD2 4.48Å; I180-L207 HydrophobicContact CG2-CD2 4.08Å; F195-L207 HydrophobicContact CD1-CD1 4.48Å; F195-L207 HydrophobicContact CD1-CD2 4.2Å; F195-L207 HydrophobicContact CE1-CD2 4.02Å; G205-L207 PolarHBondContact O-N 2.95Å; L207-I209 HydrophobicContact CD2-CD1 4.1Å; L207-I209 HydrophobicContact CD2-CG1 4.25Å; L207-I209 HydrophobicContact CG-CD1 4.23Å; L207-I209 HydrophobicContact CG-CG1 3.9Å
208L97.4Very high96.2Very high0 Ų042 Ų420%019%0.19CC..EExtended strand (participates in β ladder)trans-91.8127.8176.8-53.7176.1000109.2I158 V160 H197 L206 Y421 W426 Y428I158-L208 HydrophobicContact CD1-CB 4.45Å; I158-L208 HydrophobicContact CD1-CD2 4.32Å; V160-L208 HydrophobicContact CB-CD2 4.38Å; V160-L208 HydrophobicContact CG1-CD2 3.87Å; V160-L208 HydrophobicContact CG2-CD2 3.7Å; H197-L208 PolarHBondContact NE2-N 3.23Å; L206-L208 HydrophobicContact CD2-CD2 4.46Å; L208-Y421 HydrophobicContact CD1-CD2 3.8Å; L208-Y421 HydrophobicContact CG-CD2 3.9Å; L208-W426 HydrophobicContact CD1-CH2 3.4Å; L208-W426 HydrophobicContact CD1-CZ2 4.19Å; L208-W426 HydrophobicContact CD1-CZ3 3.77Å; L208-W426 HydrophobicContact CD2-CZ3 4.44Å; L208-Y428 HydrophobicContact CD2-CD2 3.91Å; L208-Y428 HydrophobicContact CD2-CE2 4.49Å
209I97.7Very high96.3Very high0 Ų034 Ų340%016%0.16CC..EExtended strand (participates in β ladder)trans-130.6118.2-175.5-49.8172.9000107.9L159 V161 L184 L193 F195 L207L159-I209 HydrophobicContact CB-CB 4.23Å; L159-I209 HydrophobicContact CD2-CD1 4.06Å; L159-I209 HydrophobicContact CG-CD1 4.33Å; L159-I209 PolarHBondContact N-O 3.47Å; L159-I209 WeakPolarHBondContact O-CA 3.19Å; L159-I209 WeakPolarHBondContact O-CB 3.46Å; L159-I209 PolarHBondContact O-N 3.17Å; L159-I209 VanDerWaalsContact O-O 3.13Å; V161-I209 HydrophobicContact CG1-CD1 4.43Å; V161-I209 HydrophobicContact CG2-CD1 4Å; L184-I209 HydrophobicContact CD1-CD1 3.71Å; L193-I209 HydrophobicContact CB-CG2 3.7Å; L193-I209 HydrophobicContact CD1-CG2 4.16Å; L193-I209 HydrophobicContact CD2-CG2 3.91Å; L193-I209 HydrophobicContact CG-CG2 4.13Å; F195-I209 HydrophobicContact CD1-CD1 4.32Å; F195-I209 HydrophobicContact CD1-CG1 3.95Å; F195-I209 HydrophobicContact CD1-CG2 4.26Å; F195-I209 HydrophobicContact CE1-CB 4.48Å; F195-I209 HydrophobicContact CE1-CD1 3.55Å; F195-I209 HydrophobicContact CE1-CG1 3.68Å; F195-I209 HydrophobicContact CE1-CG2 4.01Å; F195-I209 HydrophobicContact CE2-CG2 4.33Å; F195-I209 HydrophobicContact CZ-CD1 4.1Å; F195-I209 HydrophobicContact CZ-CG1 4.44Å; F195-I209 HydrophobicContact CZ-CG2 4.04Å; L207-I209 HydrophobicContact CD2-CD1 4.1Å; L207-I209 HydrophobicContact CD2-CG1 4.25Å; L207-I209 HydrophobicContact CG-CD1 4.23Å; L207-I209 HydrophobicContact CG-CG1 3.9Å
210A97Very high96.2Very high0 Ų038.7 Ų38.70%018%0.181CC..EExtended strand (participates in β ladder)trans-79.6134.9174.300000110.3R194 T215 L219R194-A210 HydrophobicContact CB-CB 4.09Å; R194-A210 WeakPolarHBondContact CB-O 3.29Å; R194-A210 PolarHBondContact N-O 3.33Å; R194-A210 PolarHBondContact O-N 3.29Å; A210-T215 HydrophobicContact CB-CG2 3.96Å; A210-L219 HydrophobicContact CB-CD1 4.31Å
211K95.2Very high96.2Very high56 Ų5640 Ų4024%0.24319%0.194CC..SBendtrans-85.2-25.6174.5-68.4-171.4178177.50112.6D154 S155 D157 L159 L193D154-K211 VanDerWaalsContact CG-NZ 3.33Å; D154-K211 WeakPolarHBondContact OD1-CE 3.44Å; D154-K211 IonicContact OD1-NZ 3.28Å; D154-K211 PolarHBondContact OD1-NZ 3.44Å; D154-K211 IonicContact OD2-NZ 2.86Å; D154-K211 PolarHBondContact OD2-NZ 3.31Å; S155-K211 VanDerWaalsContact O-CD 3.29Å; S155-K211 WeakPolarHBondContact O-CD 3.49Å; S155-K211 VanDerWaalsContact O-CE 3.22Å; S155-K211 WeakPolarHBondContact O-CE 3.4Å; S155-K211 PolarHBondContact O-NZ 2.91Å; D157-K211 PolarHBondContact O-N 2.85Å; L159-K211 HydrophobicContact CB-CG 4.44Å; L193-K211 HydrophobicContact CD2-CG 4.13Å
212N93.6Very high96.1Very high45 Ų4537 Ų3724%0.24118%0.184CC..SBendtrans-126.2170.6179.164.954.5000112.9D157 R194 D214 T215 S216D157-N212 PolarHBondContact OD1-ND2 2.81Å; R194-N212 WeakPolarHBondContact CD-O 3.37Å; N212-D214 PolarHBondContact OD1-N 3.14Å; N212-T215 WeakPolarHBondContact OD1-CB 3.46Å; N212-T215 PolarHBondContact OD1-N 2.89Å; N212-T215 PolarHBondContact OD1-OG1 3.32Å; N212-T215 VanDerWaalsContact OD1-OG1 3.13Å; N212-S216 WeakPolarHBondContact O-CB 3.39Å; N212-S216 PolarHBondContact O-N 3.37Å
213Y94.4Very high96Very high145 Ų14538.1 Ų38.157%0.56919%0.189SC*.Hα-helixtrans-67.1-43.6-176.3177.4-103000112.5S216 V217Y213-S216 WeakPolarHBondContact O-CA 3.06Å; Y213-S216 VanDerWaalsContact O-CB 3.32Å; Y213-S216 WeakPolarHBondContact O-CB 3.4Å; Y213-S216 PolarHBondContact O-N 3.22Å; Y213-S216 VanDerWaalsContact O-N 3.11Å; Y213-V217 HydrophobicContact CD1-CG2 4.27Å; Y213-V217 HydrophobicContact CD2-CG2 4.37Å; Y213-V217 HydrophobicContact CE1-CG2 3.79Å; Y213-V217 HydrophobicContact CE2-CG2 3.88Å; Y213-V217 WeakPolarHBondContact O-CG2 3.19Å; Y213-V217 PolarHBondContact O-N 3.45Å
214D95.6Very high95.8Very high121 Ų12142.2 Ų42.265%0.64722%0.218SC*.Hα-helixtrans-65-45.9-174.8-60.9-43.1000111.3N212 S216 V217 R218N212-D214 PolarHBondContact OD1-N 3.14Å; D214-S216 VanDerWaalsContact C-N 3.27Å; D214-S216 PolarHBondContact O-N 2.94Å; D214-V217 PolarHBondContact O-N 3.31Å; D214-R218 WeakPolarHBondContact O-CB 3.29Å; D214-R218 PolarHBondContact O-N 3.26Å
215T95.4Very high95.5Very high5 Ų544.6 Ų44.63%0.03124%0.235CC..Hα-helixtrans-62.7-35.5173.4-59.70000111.5D157 I158 A210 N212 R218 L219D157-T215 HydrophobicContact CB-CG2 4.45Å; D157-T215 WeakPolarHBondContact CB-OG1 3.5Å; I158-T215 HydrophobicContact CB-CG2 4.26Å; A210-T215 HydrophobicContact CB-CG2 3.96Å; N212-T215 WeakPolarHBondContact OD1-CB 3.46Å; N212-T215 PolarHBondContact OD1-N 2.89Å; N212-T215 PolarHBondContact OD1-OG1 3.32Å; N212-T215 VanDerWaalsContact OD1-OG1 3.13Å; T215-R218 PolarHBondContact O-N 2.88Å; T215-L219 HydrophobicContact CG2-CD1 3.98Å; T215-L219 HydrophobicContact CG2-CG 4.22Å; T215-L219 WeakPolarHBondContact O-CB 3.32Å; T215-L219 WeakPolarHBondContact O-CG 3.37Å; T215-L219 PolarHBondContact O-N 3.04Å
216S95.7Very high95.3Very high17 Ų1751 Ų5112%0.11926%0.263CS..Hα-helixtrans-64.4-42.8176.3-177.20000112.2R194 T196 N212 Y213 D214 Q220R194-S216 VanDerWaalsContact CD-CB 3.48Å; T196-S216 VanDerWaalsContact CG2-O 3.26Å; T196-S216 WeakPolarHBondContact CG2-O 3.49Å; T196-S216 WeakPolarHBondContact CG2-OG 3.45Å; N212-S216 WeakPolarHBondContact O-CB 3.39Å; N212-S216 PolarHBondContact O-N 3.37Å; Y213-S216 WeakPolarHBondContact O-CA 3.06Å; Y213-S216 VanDerWaalsContact O-CB 3.32Å; Y213-S216 WeakPolarHBondContact O-CB 3.4Å; Y213-S216 PolarHBondContact O-N 3.22Å; Y213-S216 VanDerWaalsContact O-N 3.11Å; D214-S216 VanDerWaalsContact C-N 3.27Å; D214-S216 PolarHBondContact O-N 2.94Å; S216-Q220 VanDerWaalsContact O-CB 3.28Å; S216-Q220 WeakPolarHBondContact O-CB 3.47Å; S216-Q220 PolarHBondContact O-N 3.14Å
217V95.5Very high95Very high64 Ų6456.3 Ų56.339%0.38829%0.287SS..Hα-helixtrans-66.6-45.2176.41730000110.4Y213 D214 Q220 S221Y213-V217 HydrophobicContact CD1-CG2 4.27Å; Y213-V217 HydrophobicContact CD2-CG2 4.37Å; Y213-V217 HydrophobicContact CE1-CG2 3.79Å; Y213-V217 HydrophobicContact CE2-CG2 3.88Å; Y213-V217 WeakPolarHBondContact O-CG2 3.19Å; Y213-V217 PolarHBondContact O-N 3.45Å; D214-V217 PolarHBondContact O-N 3.31Å; V217-Q220 PolarHBondContact O-N 3.11Å; V217-S221 WeakPolarHBondContact O-CB 3.45Å; V217-S221 PolarHBondContact O-N 2.99Å
218R95Very high94.9Very high101 Ų10156.7 Ų56.738%0.38129%0.29SS..Hα-helixtrans-55.9-54.7177-174.9-179.673.5-176.70.7111.7D214 T215 Q220 S221 Q222D214-R218 WeakPolarHBondContact O-CB 3.29Å; D214-R218 PolarHBondContact O-N 3.26Å; T215-R218 PolarHBondContact O-N 2.88Å; R218-Q220 PolarHBondContact O-N 3.2Å; R218-S221 WeakPolarHBondContact O-CB 3.38Å; R218-S221 PolarHBondContact O-N 3.18Å; R218-Q222 WeakPolarHBondContact O-CG 3.48Å; R218-Q222 PolarHBondContact O-N 3.03Å
219L94.8Very high94.9Very high0 Ų057.7 Ų57.70%030%0.298CS..Hα-helixtrans-63.4-41.6-179-71.1175.7000112I158 T196 A210 T215 S221 Q222 I223 W426I158-L219 HydrophobicContact CD1-CD1 3.85Å; I158-L219 HydrophobicContact CD1-CD2 4.37Å; I158-L219 HydrophobicContact CG1-CD1 4.41Å; T196-L219 HydrophobicContact CG2-CB 4.03Å; A210-L219 HydrophobicContact CB-CD1 4.31Å; T215-L219 HydrophobicContact CG2-CD1 3.98Å; T215-L219 HydrophobicContact CG2-CG 4.22Å; T215-L219 WeakPolarHBondContact O-CB 3.32Å; T215-L219 WeakPolarHBondContact O-CG 3.37Å; T215-L219 PolarHBondContact O-N 3.04Å; L219-S221 VanDerWaalsContact C-N 3.3Å; L219-S221 PolarHBondContact O-N 2.73Å; L219-Q222 PolarHBondContact O-N 3.34Å; L219-I223 WeakPolarHBondContact O-CB 3.19Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.27Å; L219-I223 PolarHBondContact O-N 2.73Å; L219-W426 HydrophobicContact CD2-CZ2 3.86Å
220Q94.6Very high95Very high110 Ų11059.1 Ų59.151%0.51430%0.304SS..Hα-helixtrans-62.3-39.4176.4-179.4171.883.200111.7T196 S216 V217 R218 S224T196-Q220 HydrophobicContact CG2-CB 4.46Å; S216-Q220 VanDerWaalsContact O-CB 3.28Å; S216-Q220 WeakPolarHBondContact O-CB 3.47Å; S216-Q220 PolarHBondContact O-N 3.14Å; V217-Q220 PolarHBondContact O-N 3.11Å; R218-Q220 PolarHBondContact O-N 3.2Å; Q220-S224 VanDerWaalsContact O-CB 3.25Å; Q220-S224 WeakPolarHBondContact O-CB 3.44Å; Q220-S224 PolarHBondContact O-N 3.39Å; Q220-S224 PolarHBondContact O-OG 2.76Å
221S95Very high95Very high73 Ų7360 Ų6051%0.5131%0.307SS..Hα-helixtrans-62-54.5175.5-170.60000111.2V217 R218 L219 I223 S224 S225V217-S221 WeakPolarHBondContact O-CB 3.45Å; V217-S221 PolarHBondContact O-N 2.99Å; R218-S221 WeakPolarHBondContact O-CB 3.38Å; R218-S221 PolarHBondContact O-N 3.18Å; L219-S221 VanDerWaalsContact C-N 3.3Å; L219-S221 PolarHBondContact O-N 2.73Å; S221-I223 VanDerWaalsContact C-N 3.29Å; S221-I223 PolarHBondContact O-N 3.09Å; S221-S224 PolarHBondContact O-N 3.15Å; S221-S225 PolarHBondContact O-N 3.33Å; S221-S225 PolarHBondContact O-OG 3.12Å; S221-S225 VanDerWaalsContact O-OG 3.06Å
222Q95.1Very high95.2Very high15 Ų1558.2 Ų58.27%0.0730%0.299CS..Hα-helixtrans-56.9-40.7-180-70.3179.7-36.300112.3R218 L219 S225 K226 E227 V228 S424 W426R218-Q222 WeakPolarHBondContact O-CG 3.48Å; R218-Q222 PolarHBondContact O-N 3.03Å; L219-Q222 PolarHBondContact O-N 3.34Å; Q222-S225 PolarHBondContact O-OG 3.19Å; Q222-K226 PolarHBondContact O-N 3.28Å; Q222-E227 HydrophobicContact CB-CB 4.47Å; Q222-E227 PolarHBondContact O-N 3.08Å; Q222-V228 HydrophobicContact CB-CG2 3.73Å; Q222-S424 PolarHBondContact NE2-OG 2.76Å; Q222-W426 VanDerWaalsContact OE1-NE1 3.1Å
223I94.1Very high95.4Very high40 Ų4056.1 Ų56.121%0.20529%0.288CS..Hα-helixtrans-68.7-39.7177.4-68.2171.5000111.1H197 L219 S221 K226 V228H197-I223 HydrophobicContact CB-CD1 3.96Å; L219-I223 WeakPolarHBondContact O-CB 3.19Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.27Å; L219-I223 PolarHBondContact O-N 2.73Å; S221-I223 VanDerWaalsContact C-N 3.29Å; S221-I223 PolarHBondContact O-N 3.09Å; I223-K226 PolarHBondContact O-N 2.75Å; I223-V228 HydrophobicContact CG1-CB 4.28Å; I223-V228 HydrophobicContact CG1-CG2 3.79Å
224S92.6Very high95.6Very high89 Ų8949.2 Ų49.262%0.62226%0.261SS*.Hα-helixtrans-73.5-34.2-177.7-59.30000112.6Q220 S221 K226Q220-S224 VanDerWaalsContact O-CB 3.25Å; Q220-S224 WeakPolarHBondContact O-CB 3.44Å; Q220-S224 PolarHBondContact O-N 3.39Å; Q220-S224 PolarHBondContact O-OG 2.76Å; S221-S224 PolarHBondContact O-N 3.15Å; S224-K226 PolarHBondContact O-N 3.27Å
225S93.6Very high95.7Very high56 Ų5643.6 Ų43.639%0.39223%0.231SC..THydrogen-bonded Turntrans-77.7-2.8172.560.10000113.5S221 Q222 E227S221-S225 PolarHBondContact O-N 3.33Å; S221-S225 PolarHBondContact O-OG 3.12Å; S221-S225 VanDerWaalsContact O-OG 3.06Å; Q222-S225 PolarHBondContact O-OG 3.19Å; S225-E227 VanDerWaalsContact C-N 3.25Å; S225-E227 VanDerWaalsContact CB-OE1 3.28Å; S225-E227 WeakPolarHBondContact CB-OE1 3.31Å; S225-E227 PolarHBondContact O-N 3.48Å; S225-E227 WeakPolarHBondContact OG-CG 3.28Å; S225-E227 PolarHBondContact OG-OE1 2.89Å
226K92.2Very high95.9Very high135 Ų13543.3 Ų43.359%0.58723%0.229SC*.THydrogen-bonded Turntrans63.127.2-177.8-49.9173-178.91730113.6Q222 I223 S224 V228Q222-K226 PolarHBondContact O-N 3.28Å; I223-K226 PolarHBondContact O-N 2.75Å; S224-K226 PolarHBondContact O-N 3.27Å; K226-V228 VanDerWaalsContact C-N 3.32Å
227E92.9Very high95.9Very high110 Ų11045.5 Ų45.551%0.51424%0.238SC..  trans-77.1-20.8174.6-73.8161-144.500112.4Q222 S225 A229Q222-E227 HydrophobicContact CB-CB 4.47Å; Q222-E227 PolarHBondContact O-N 3.08Å; S225-E227 VanDerWaalsContact C-N 3.25Å; S225-E227 VanDerWaalsContact CB-OE1 3.28Å; S225-E227 WeakPolarHBondContact CB-OE1 3.31Å; S225-E227 PolarHBondContact O-N 3.48Å; S225-E227 WeakPolarHBondContact OG-CG 3.28Å; S225-E227 PolarHBondContact OG-OE1 2.89Å; E227-A229 PolarHBondContact O-N 3.42Å
228V96.5Very high96Very high9 Ų943 Ų436%0.05523%0.225CC..SBendtrans-83.6113.5177.8-175.80000110.5Q222 I223 K226 K230 S422 W426Q222-V228 HydrophobicContact CB-CG2 3.73Å; I223-V228 HydrophobicContact CG1-CB 4.28Å; I223-V228 HydrophobicContact CG1-CG2 3.79Å; K226-V228 VanDerWaalsContact C-N 3.32Å; V228-K230 HydrophobicContact CG1-CG 4Å; V228-S422 CarbonylContact C-O 3.54Å; V228-S422 WeakPolarHBondContact CA-O 3.07Å; V228-W426 HydrophobicContact CG1-CH2 3.74Å; V228-W426 HydrophobicContact CG1-CZ2 4.32Å; V228-W426 HydrophobicContact CG2-CH2 4.17Å; V228-W426 HydrophobicContact CG2-CZ2 3.93Å
229A97.5Very high96Very high20 Ų2040.8 Ų40.817%0.16522%0.224CC..EExtended strand (participates in β ladder)trans-72.8131.7167.600000109.6E227 Y231 Y421 S422E227-A229 PolarHBondContact O-N 3.42Å; A229-Y231 HydrophobicContact CB-CE2 3.76Å; A229-Y421 VanDerWaalsContact O-CA 3.31Å; A229-Y421 WeakPolarHBondContact O-CA 3.31Å; A229-S422 PolarHBondContact N-O 3Å; A229-S422 PolarHBondContact O-N 2.97Å
230K98.1Very high96Very high30 Ų3040.8 Ų40.813%0.1322%0.224CC..EExtended strand (participates in β ladder)trans-129.6117.5-175.5-60.2171.4-65.9-179.80111V228 Y232 R307 L308 T310 Y421V228-K230 HydrophobicContact CG1-CG 4Å; K230-Y232 HydrophobicContact CB-CE2 4.1Å; K230-R307 WeakPolarHBondContact O-CA 3.23Å; K230-L308 HydrophobicContact CB-CB 4.22Å; K230-L308 WeakPolarHBondContact CE-O 3.26Å; K230-L308 PolarHBondContact O-N 2.68Å; K230-T310 PolarHBondContact NZ-O 3.04Å; K230-Y421 HydrophobicContact CB-CD1 3.73Å; K230-Y421 HydrophobicContact CB-CE1 3.75Å; K230-Y421 HydrophobicContact CD-CE1 4.42Å; K230-Y421 HydrophobicContact CG-CD1 3.67Å; K230-Y421 HydrophobicContact CG-CE1 3.83Å; K230-Y421 HydrophobicContact CG-CG 4.29Å
231Y98.4Very high95.9Very high18 Ų1835.7 Ų35.77%0.07120%0.201CC..EExtended strand (participates in β ladder)trans-112.4131.3-178.6-59.4-86.3000110.5A229 I305 C306 R307 Y419 R420 I452 L455A229-Y231 HydrophobicContact CB-CE2 3.76Å; Y231-I305 HydrophobicContact CD1-CD1 4.46Å; Y231-C306 CarbonylContact C-O 3.55Å; Y231-C306 VanDerWaalsContact CA-O 3.29Å; Y231-C306 WeakPolarHBondContact CA-O 3.35Å; Y231-R307 HydrophobicContact CD1-CB 4.12Å; Y231-R307 HydrophobicContact CD1-CG 4.41Å; Y231-R307 HydrophobicContact CE1-CB 3.95Å; Y231-R307 HydrophobicContact CE1-CG 3.95Å; Y231-Y419 PolarHBondContact O-N 2.89Å; Y231-R420 HydrophobicContact CD2-CB 4.44Å; Y231-R420 HydrophobicContact CD2-CG 4.43Å; Y231-R420 PolarHBondContact N-O 2.77Å; Y231-R420 PolarHBondContact O-N 3.23Å; Y231-R420 VanDerWaalsContact O-N 3.13Å; Y231-I452 HydrophobicContact CD1-CG1 3.87Å; Y231-I452 HydrophobicContact CE1-CB 4.34Å; Y231-I452 HydrophobicContact CE1-CG1 4.09Å; Y231-I452 HydrophobicContact CE1-CG2 4.05Å; Y231-I452 HydrophobicContact CE2-CG2 4.07Å; Y231-I452 HydrophobicContact CG-CD1 4.37Å; Y231-I452 HydrophobicContact CG-CG1 4.14Å; Y231-L455 HydrophobicContact CD1-CD1 4.48Å; Y231-L455 HydrophobicContact CE1-CB 4.03Å; Y231-L455 HydrophobicContact CE1-CD1 4.49Å; Y231-L455 PolarHBondContact OH-OXT 2.89Å
232Y98.7Very high95.5Very high20 Ų2034.9 Ų34.98%0.07819%0.193CC..EExtended strand (participates in β ladder)trans-124155.3177-70.5-110.7000109.2L199 K230 I305 C306 L308 I316 L416 H417 A418 Y421L199-Y232 HydrophobicContact CD1-CE1 3.98Å; K230-Y232 HydrophobicContact CB-CE2 4.1Å; Y232-I305 CarbonylContact O-C 3.47Å; Y232-I305 WeakPolarHBondContact O-CA 3.37Å; Y232-I305 WeakPolarHBondContact O-CG1 3.32Å; Y232-C306 PolarHBondContact N-O 2.97Å; Y232-C306 PolarHBondContact O-N 3.5Å; Y232-L308 HydrophobicContact CD2-CD1 3.9Å; Y232-L308 HydrophobicContact CD2-CG 4.18Å; Y232-L308 HydrophobicContact CE2-CD1 3.44Å; Y232-L308 VanDerWaalsContact CE2-CD1 3.44Å; Y232-L308 HydrophobicContact CE2-CG 4.14Å; Y232-I316 HydrophobicContact CD1-CD1 3.85Å; Y232-I316 HydrophobicContact CD2-CD1 3.82Å; Y232-I316 HydrophobicContact CE1-CD1 4.47Å; Y232-I316 HydrophobicContact CE2-CD1 4.48Å; Y232-I316 HydrophobicContact CG-CD1 3.48Å; Y232-I316 VanDerWaalsContact CG-CD1 3.48Å; Y232-L416 HydrophobicContact CD1-CD1 4.08Å; Y232-L416 HydrophobicContact CD1-CG 4.34Å; Y232-H417 CarbonylContact C-O 3.59Å; Y232-H417 WeakPolarHBondContact CA-O 3.16Å; Y232-H417 WeakPolarHBondContact CB-O 3.35Å; Y232-A418 HydrophobicContact CD1-CB 3.89Å; Y232-A418 HydrophobicContact CE1-CB 3.5Å; Y232-Y421 AromaticContact CE2-CE1 3.91Å; Y232-Y421 HydrophobicContact CE2-CE1 3.91Å; Y232-Y421 PolarHBondContact OH-OH 2.83Å
233I98.4Very high94.8Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-116.7135.2169.6-62.2171.3000107.5L303 V304 L416 H417 Y419 L432 W435 V436 I448I233-L303 HydrophobicContact CG2-CD1 3.51Å; I233-L303 HydrophobicContact CG2-CD2 4.34Å; I233-L303 HydrophobicContact CG2-CG 3.92Å; I233-V304 CarbonylContact C-O 3.43Å; I233-V304 WeakPolarHBondContact CA-O 3.32Å; I233-L416 CarbonylContact O-C 3.58Å; I233-L416 WeakPolarHBondContact O-CA 3.41Å; I233-H417 PolarHBondContact N-O 3.18Å; I233-H417 PolarHBondContact O-N 2.89Å; I233-Y419 HydrophobicContact CD1-CD1 4.31Å; I233-Y419 HydrophobicContact CD1-CD2 4.27Å; I233-Y419 HydrophobicContact CD1-CG 3.95Å; I233-Y419 HydrophobicContact CG1-CG 4.47Å; I233-L432 HydrophobicContact CD1-CD2 3.49Å; I233-L432 VanDerWaalsContact CD1-CD2 3.49Å; I233-W435 HydrophobicContact CG2-CH2 4.28Å; I233-W435 HydrophobicContact CG2-CZ3 4.38Å; I233-V436 HydrophobicContact CG2-CG2 3.91Å; I233-I448 HydrophobicContact CD1-CD1 3.75Å; I233-I448 HydrophobicContact CD1-CG1 4.33Å
234C98.1Very high93.6Very high0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-134.6150.2173.164.30000112.7V304 C306 I327 R415 L416C234-V304 PolarHBondContact N-O 3.05Å; C234-V304 PolarHBondContact O-N 3.3Å; C234-C306 PolarHBondContact SG-SG 2.84Å; C234-I327 HydrophobicContact CB-CD1 4.33Å; C234-I327 HydrophobicContact CB-CG1 4.16Å; C234-R415 VanDerWaalsContact CA-O 3.24Å; C234-R415 WeakPolarHBondContact CA-O 3.31Å; C234-L416 HydrophobicContact CB-CD1 3.76Å
235H98.1Very high92.2Very high3 Ų344.4 Ų44.41%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-104.4118.3173.8-168.8-172.5000108.9T301 S302 I327 V328 R415 W435 E439H235-T301 WeakPolarHBondContact NE2-CB 3.37Å; H235-T301 PolarHBondContact NE2-OG1 3.36Å; H235-S302 PolarHBondContact CD2-O 2.77Å; H235-I327 WeakPolarHBondContact O-CA 3.47Å; H235-V328 PolarHBondContact O-N 2.8Å; H235-R415 HydrophobicContact CB-CB 3.74Å; H235-R415 HydrophobicContact CB-CG 4.44Å; H235-R415 PolarHBondContact CE1-NH1 3.43Å; H235-R415 PolarHBondContact N-O 3.27Å; H235-R415 VanDerWaalsContact ND1-CD 3.35Å; H235-R415 WeakPolarHBondContact ND1-CD 3.13Å; H235-R415 PolarHBondContact ND1-NH1 3.05Å; H235-W435 HydrophobicContact CB-CE3 4.05Å; H235-W435 HydrophobicContact CB-CZ3 3.85Å; H235-E439 IonicContact CE1-OE1 3.95Å; H235-E439 PolarHBondContact CE1-OE1 3.37Å; H235-E439 IonicContact NE2-OE1 2.8Å
236V98.3Very high90.6Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-119.3151.4-172.9-61.40000111.6F240 T301 S302 V304 V320 Y325 P326 I327V236-F240 HydrophobicContact CG2-CB 4.3Å; V236-F240 HydrophobicContact CG2-CD2 3.88Å; V236-F240 HydrophobicContact CG2-CG 4.44Å; V236-T301 CarbonylContact O-C 3.6Å; V236-T301 VanDerWaalsContact O-CA 3.25Å; V236-T301 WeakPolarHBondContact O-CA 3.48Å; V236-T301 VanDerWaalsContact O-CB 3.27Å; V236-T301 WeakPolarHBondContact O-CB 3.5Å; V236-S302 PolarHBondContact N-O 2.84Å; V236-S302 PolarHBondContact O-N 2.76Å; V236-V304 HydrophobicContact CG2-CG2 3.74Å; V236-V320 HydrophobicContact CG1-CB 4.21Å; V236-V320 HydrophobicContact CG1-CG1 4.38Å; V236-V320 HydrophobicContact CG1-CG2 4.15Å; V236-Y325 WeakPolarHBondContact CB-O 3.49Å; V236-Y325 WeakPolarHBondContact CG1-O 3.49Å; V236-P326 WeakPolarHBondContact CA-O 3.5Å; V236-I327 HydrophobicContact CG1-CG1 4.23Å
237E97.3Very high88.8Confident63 Ų6347.8 Ų47.829%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-61.3150.1168.5-69.7-172.7172.200110.3Y325 P326 V328 N334 K342E237-Y325 WeakPolarHBondContact O-CB 3.35Å; E237-Y325 VanDerWaalsContact O-CD1 3.23Å; E237-Y325 WeakPolarHBondContact O-CD1 3.44Å; E237-P326 PolarHBondContact N-O 2.82Å; E237-V328 HydrophobicContact CG-CG2 4.28Å; E237-N334 PolarHBondContact OE1-ND2 2.8Å; E237-N334 PolarHBondContact OE1-OD1 3.12Å; E237-K342 IonicContact OE1-NZ 3.85Å; E237-K342 PolarHBondContact OE1-NZ 3.36Å; E237-K342 VanDerWaalsContact OE1-NZ 3.12Å; E237-K342 IonicContact OE2-NZ 3.68Å; E237-K342 PolarHBondContact OE2-NZ 3.27Å
238G96.6Very high86.7Confident11 Ų1148 Ų4811%0.11326%0.264CS..SBendtrans77.9173.8172.300000115.8F240 D300 T301 S302G238-F240 PolarHBondContact O-N 3.31Å; G238-D300 WeakPolarHBondContact CA-O 3.19Å; G238-D300 PolarHBondContact N-O 2.94Å; G238-T301 CarbonylContact O-C 3.54Å; G238-S302 WeakPolarHBondContact O-CB 3.21Å; G238-S302 PolarHBondContact O-N 3.04Å; G238-S302 PolarHBondContact O-OG 3.12Å
239C95.4Very high84.9Confident54 Ų5447.8 Ų47.837%0.36526%0.263SS..  trans-78.795.7170.4-170.10000110.2R292 Y295 Y325C239-R292 PolarHBondContact SG-NH1 3.17Å; C239-Y295 HydrophobicContact CB-CD1 4.44Å; C239-Y295 HydrophobicContact CB-CD2 3.87Å; C239-Y295 HydrophobicContact CB-CE1 4.13Å; C239-Y295 HydrophobicContact CB-CE2 3.53Å; C239-Y295 HydrophobicContact CB-CG 4.32Å; C239-Y325 VanDerWaalsContact O-CE1 3.24Å; C239-Y325 WeakPolarHBondContact O-CE1 3.49Å
240F95.2Very high83.2Confident0 Ų049.6 Ų49.60%028%0.283CS..  trans-63.9136.8-176.3-163.3-91.9000110.7V236 G238 V258 F290 R292 S302 V304 L323 Y325V236-F240 HydrophobicContact CG2-CB 4.3Å; V236-F240 HydrophobicContact CG2-CD2 3.88Å; V236-F240 HydrophobicContact CG2-CG 4.44Å; G238-F240 PolarHBondContact O-N 3.31Å; F240-V258 HydrophobicContact CE1-CB 4.09Å; F240-V258 HydrophobicContact CE1-CG2 3.94Å; F240-F290 HydrophobicContact CE1-CB 3.56Å; F240-F290 HydrophobicContact CE1-CG 4.32Å; F240-F290 HydrophobicContact CZ-CB 3.59Å; F240-F290 HydrophobicContact CZ-CD1 4.31Å; F240-F290 HydrophobicContact CZ-CD2 4.32Å; F240-F290 AromaticContact CZ-CG 3.85Å; F240-F290 HydrophobicContact CZ-CG 3.85Å; F240-R292 HydrophobicContact CB-CB 4.39Å; F240-R292 HydrophobicContact CB-CG 4.38Å; F240-R292 HydrophobicContact CD1-CB 4.34Å; F240-R292 WeakPolarHBondContact O-CD 3.33Å; F240-R292 PolarHBondContact O-NH1 2.72Å; F240-R292 VanDerWaalsContact O-NH1 3.08Å; F240-S302 PolarHBondContact N-OG 3.49Å; F240-V304 HydrophobicContact CB-CG2 3.89Å; F240-V304 HydrophobicContact CD1-CG1 4.35Å; F240-V304 HydrophobicContact CD1-CG2 3.98Å; F240-V304 HydrophobicContact CD2-CG2 3.99Å; F240-V304 HydrophobicContact CE1-CG1 4.17Å; F240-V304 HydrophobicContact CG-CG2 3.67Å; F240-V304 HydrophobicContact CZ-CG1 4.37Å; F240-L323 HydrophobicContact CE2-CD1 4.25Å; F240-L323 HydrophobicContact CZ-CD1 3.95Å; F240-Y325 HydrophobicContact CD2-CD1 4.31Å; F240-Y325 AromaticContact CD2-CD2 3.87Å; F240-Y325 HydrophobicContact CD2-CD2 3.87Å; F240-Y325 AromaticContact CD2-CG 3.7Å; F240-Y325 HydrophobicContact CD2-CG 3.7Å; F240-Y325 HydrophobicContact CE2-CD2 4.06Å; F240-Y325 HydrophobicContact CE2-CG 4.22Å
241P91.8Very high82Confident4 Ų449.6 Ų49.63%0.02628%0.283CS..  trans-58.9145.9-171.55-16.9000114.1I245 F251 I253 V258 Y325P241-I245 HydrophobicContact CB-CD1 3.51Å; P241-I245 HydrophobicContact CB-CG1 3.99Å; P241-I245 HydrophobicContact CG-CD1 3.99Å; P241-F251 HydrophobicContact CG-CZ 4.47Å; P241-I253 HydrophobicContact CB-CD1 4.37Å; P241-V258 HydrophobicContact CB-CG2 4.06Å; P241-V258 HydrophobicContact CG-CG2 4.02Å; P241-Y325 VanDerWaalsContact CD-CZ 3.46Å; P241-Y325 HydrophobicContact CG-CE2 3.96Å
242T86.9Confident81Confident56 Ų5654.8 Ų54.834%0.34431%0.308SS..SBendtrans-123.6-10.5163.2480000112.4G256 R292T242-G256 WeakPolarHBondContact O-CA 3.46Å; T242-R292 HydrophobicContact CG2-CB 4.28Å; T242-R292 PolarHBondContact OG1-NH2 3.17Å
243E80.4Confident80Confident146 Ų14655.9 Ų55.968%0.68232%0.315SS*.SBendtrans-134.5161177.8-64.6-171.6-17900109.6I245 I253E243-I245 WeakPolarHBondContact O-CG1 3.1Å; E243-I245 PolarHBondContact O-N 3.36Å; E243-I253 WeakPolarHBondContact O-CD1 3.44Å
244P68.7Low79.1Confident109 Ų10961.1 Ų61.171%0.70834%0.343SS*.  trans-59.6118.4179.8-23.234.1000111.8I253P244-I253 HydrophobicContact CG-CB 4.49Å
245I62.7Low78.4Confident88 Ų8867.4 Ų67.445%0.45138%0.377SS..  trans-98.3-47.3-179.3-56-179000111.8P241 E243 F251 Y325P241-I245 HydrophobicContact CB-CD1 3.51Å; P241-I245 HydrophobicContact CB-CG1 3.99Å; P241-I245 HydrophobicContact CG-CD1 3.99Å; E243-I245 WeakPolarHBondContact O-CG1 3.1Å; E243-I245 PolarHBondContact O-N 3.36Å; I245-F251 HydrophobicContact CB-CZ 4.37Å; I245-Y325 WeakPolarHBondContact CD1-OH 3.48Å
246D60.3Low77.9Confident68 Ų6868.1 Ų68.136%0.36439%0.385SS..  trans-145.9125.1-167.9-92.6-35.8000112.3C248 T249 K344D246-C248 PolarHBondContact O-N 3.43Å; D246-T249 PolarHBondContact O-OG1 3.25Å; D246-K344 IonicContact OD2-NZ 3.72Å; D246-K344 PolarHBondContact OD2-NZ 2.63Å; D246-K344 VanDerWaalsContact OD2-NZ 3.09Å
247Q54.3Low77.7Confident194 Ų19468.7 Ų68.791%0.90739%0.388SS*.G310 helixtrans-62.9-26.3169.1-64.6175.916.800111.9T249 G250Q247-T249 VanDerWaalsContact C-N 3.26Å; Q247-T249 PolarHBondContact O-N 2.98Å; Q247-G250 PolarHBondContact O-N 2.86Å
248C48.9Very low77.5Confident114 Ų11465.7 Ų65.777%0.7737%0.374SS*.G310 helixtrans-65.4-20.6-173.5-62.20000114.9D246D246-C248 PolarHBondContact O-N 3.43Å
249T58.7Low77.4Confident5 Ų565.6 Ų65.63%0.03137%0.372CS..G310 helixtrans-99.6-8.8-179.9540000112.9D246 Q247 F251 Y322D246-T249 PolarHBondContact O-OG1 3.25Å; Q247-T249 VanDerWaalsContact C-N 3.26Å; Q247-T249 PolarHBondContact O-N 2.98Å; T249-F251 PolarHBondContact O-N 2.93Å; T249-F251 VanDerWaalsContact O-N 3.16Å; T249-F251 WeakPolarHBondContact OG1-CD1 3.39Å; T249-F251 WeakPolarHBondContact OG1-CE1 3.3Å; T249-Y322 WeakPolarHBondContact O-CE1 3.2Å; T249-Y322 PolarHBondContact O-OH 2.76Å
250G62.7Low77.3Confident58 Ų5863.2 Ų63.260%0.59836%0.355SS*.  trans59.823.3174.700000115.4Q247Q247-G250 PolarHBondContact O-N 2.86Å
251F72.2Confident77.3Confident31 Ų3165.6 Ų65.614%0.13637%0.372CS..  trans-82.514817463.2-109.2000111.5P241 I245 T249 I253 V258 V259 L323P241-F251 HydrophobicContact CG-CZ 4.47Å; I245-F251 HydrophobicContact CB-CZ 4.37Å; T249-F251 PolarHBondContact O-N 2.93Å; T249-F251 VanDerWaalsContact O-N 3.16Å; T249-F251 WeakPolarHBondContact OG1-CD1 3.39Å; T249-F251 WeakPolarHBondContact OG1-CE1 3.3Å; F251-I253 HydrophobicContact CD2-CD1 4.06Å; F251-I253 HydrophobicContact CD2-CG1 3.79Å; F251-I253 HydrophobicContact CE2-CD1 3.49Å; F251-I253 VanDerWaalsContact CE2-CD1 3.49Å; F251-I253 HydrophobicContact CE2-CG1 3.76Å; F251-I253 HydrophobicContact CZ-CD1 4.49Å; F251-V258 HydrophobicContact CB-CG1 4.28Å; F251-V258 HydrophobicContact CD2-CG1 4.03Å; F251-V258 HydrophobicContact CG-CG1 4.09Å; F251-V259 WeakPolarHBondContact CB-O 3.3Å; F251-L323 HydrophobicContact CB-CD2 3.9Å; F251-L323 HydrophobicContact CD1-CD2 3.45Å; F251-L323 VanDerWaalsContact CD1-CD2 3.45Å; F251-L323 HydrophobicContact CE1-CD2 4.29Å; F251-L323 HydrophobicContact CG-CD2 3.97Å
252E77.1Confident77.4Confident127 Ų12768 Ų6859%0.59338%0.383SS*.EExtended strand (participates in β ladder)trans-95.7139.2173.5-62.1169.1175.100108.8V259E252-V259 HydrophobicContact CB-CB 4.22Å; E252-V259 PolarHBondContact O-N 3.38Å
253I79Confident77.9Confident43 Ų4366.3 Ų66.322%0.22137%0.373CS..EExtended strand (participates in β ladder)trans-117127.9168.8-67.3-179.1000109.2P241 E243 P244 F251 V257 V258P241-I253 HydrophobicContact CB-CD1 4.37Å; E243-I253 WeakPolarHBondContact O-CD1 3.44Å; P244-I253 HydrophobicContact CG-CB 4.49Å; F251-I253 HydrophobicContact CD2-CD1 4.06Å; F251-I253 HydrophobicContact CD2-CG1 3.79Å; F251-I253 HydrophobicContact CE2-CD1 3.49Å; F251-I253 VanDerWaalsContact CE2-CD1 3.49Å; F251-I253 HydrophobicContact CE2-CG1 3.76Å; F251-I253 HydrophobicContact CZ-CD1 4.49Å; I253-V257 VanDerWaalsContact CA-O 3.3Å; I253-V257 WeakPolarHBondContact CA-O 3.33Å; I253-V258 HydrophobicContact CD1-CG2 3.94Å; I253-V258 HydrophobicContact CG1-CG2 3.99Å
254N78.9Confident78.7Confident110 Ų11059.6 Ų59.659%0.58834%0.342SS*.EExtended strand (participates in β ladder)trans-129.9119.8171.3-1767.8000108.9G256 V257N254-G256 VanDerWaalsContact C-N 3.29Å; N254-G256 PolarHBondContact O-N 3.04Å; N254-V257 PolarHBondContact N-O 3.26Å; N254-V257 VanDerWaalsContact N-O 3.13Å; N254-V257 WeakPolarHBondContact O-CB 3.41Å; N254-V257 PolarHBondContact O-N 3.37Å
255N83.8Confident80Confident132 Ų13254.4 Ų54.471%0.70631%0.308SS*.THydrogen-bonded Turntrans47.149.4-178.9-62.6-15.7000112.4V257 Q454N255-V257 PolarHBondContact O-N 2.89Å; N255-V257 VanDerWaalsContact O-N 3.15Å; N255-Q454 PolarHBondContact O-NE2 3.47Å
256G87.1Confident81.5Confident18 Ų1852.1 Ų52.119%0.18630%0.299CS..THydrogen-bonded Turntrans76.5-11.2-178.800000116.4T242 N254 V258 L291T242-G256 WeakPolarHBondContact O-CA 3.46Å; N254-G256 VanDerWaalsContact C-N 3.29Å; N254-G256 PolarHBondContact O-N 3.04Å; G256-V258 PolarHBondContact O-N 3.27Å; G256-L291 WeakPolarHBondContact O-CD1 3.36Å
257V93.2Very high83Confident11 Ų1150.2 Ų50.27%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-79.5120.1176.7179.40000110.1I253 N254 N255 V259 H289 F290 L291 Q454 L455I253-V257 VanDerWaalsContact CA-O 3.3Å; I253-V257 WeakPolarHBondContact CA-O 3.33Å; N254-V257 PolarHBondContact N-O 3.26Å; N254-V257 VanDerWaalsContact N-O 3.13Å; N254-V257 WeakPolarHBondContact O-CB 3.41Å; N254-V257 PolarHBondContact O-N 3.37Å; N255-V257 PolarHBondContact O-N 2.89Å; N255-V257 VanDerWaalsContact O-N 3.15Å; V257-V259 HydrophobicContact CG1-CG2 4.41Å; V257-H289 HydrophobicContact CG1-CB 3.74Å; V257-F290 WeakPolarHBondContact CA-O 3.46Å; V257-L291 HydrophobicContact CG2-CD1 4.11Å; V257-Q454 HydrophobicContact CG2-CG 4.16Å; V257-L455 HydrophobicContact CG1-CD2 3.67Å; V257-L455 HydrophobicContact CG2-CD2 4.03Å
258V94.1Very high84.6Confident0 Ų041.8 Ų41.80%025%0.251CS..EExtended strand (participates in β ladder)trans-88.5124.3175.4-178.80000109.6F240 P241 F251 I253 G256 H289 F290 L323F240-V258 HydrophobicContact CE1-CB 4.09Å; F240-V258 HydrophobicContact CE1-CG2 3.94Å; P241-V258 HydrophobicContact CB-CG2 4.06Å; P241-V258 HydrophobicContact CG-CG2 4.02Å; F251-V258 HydrophobicContact CB-CG1 4.28Å; F251-V258 HydrophobicContact CD2-CG1 4.03Å; F251-V258 HydrophobicContact CG-CG1 4.09Å; I253-V258 HydrophobicContact CD1-CG2 3.94Å; I253-V258 HydrophobicContact CG1-CG2 3.99Å; G256-V258 PolarHBondContact O-N 3.27Å; V258-H289 CarbonylContact O-C 3.4Å; V258-H289 WeakPolarHBondContact O-CA 3.46Å; V258-F290 HydrophobicContact CB-CB 4.3Å; V258-F290 PolarHBondContact N-O 3.28Å; V258-F290 PolarHBondContact O-N 3.17Å; V258-L323 HydrophobicContact CG1-CD1 4.1Å; V258-L323 HydrophobicContact CG1-CD2 4.31Å
259V93.7Very high86.3Confident10 Ų1046.5 Ų46.56%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-107.6119.9-178-178.40000110.5F251 E252 V257 H289F251-V259 WeakPolarHBondContact CB-O 3.3Å; E252-V259 HydrophobicContact CB-CB 4.22Å; E252-V259 PolarHBondContact O-N 3.38Å; V257-V259 HydrophobicContact CG1-CG2 4.41Å; V259-H289 WeakPolarHBondContact CG2-NE2 3.37Å
260C93.9Very high87.2Confident4 Ų453.9 Ų53.93%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-112120.1169.5-171.80000110.5R287 T288 F290 H319 L323C260-R287 WeakPolarHBondContact O-CA 3.22Å; C260-T288 PolarHBondContact N-O 3.22Å; C260-T288 PolarHBondContact O-N 2.89Å; C260-F290 HydrophobicContact CB-CE2 3.97Å; C260-H319 HydrophobicContact CB-CB 4.2Å; C260-H319 PolarHBondContact O-CE1 2.87Å; C260-H319 VanDerWaalsContact O-CE1 3.29Å; C260-L323 HydrophobicContact CB-CD1 4.27Å; C260-L323 HydrophobicContact CB-CD2 4.47Å
261S94.7Very high88.2Confident49 Ų4954 Ų5434%0.34327%0.266SS..  trans-115.517.3-179.4-60.40000113.2A286S261-A286 CarbonylContact C-O 3.56Å; S261-A286 WeakPolarHBondContact CA-O 3.43Å
262Q94.7Very high88.9Confident54 Ų5454.2 Ų54.225%0.25228%0.276SS..  trans-65.9133.5-176.5-68.7-59.2-30.600111.8V276 H319 Y322Q262-V276 HydrophobicContact CB-CG1 3.99Å; Q262-V276 HydrophobicContact CB-CG2 3.91Å; Q262-V276 HydrophobicContact CG-CG1 4.44Å; Q262-H319 PolarHBondContact O-NE2 3.49Å; Q262-Y322 HydrophobicContact CG-CD1 3.8Å; Q262-Y322 HydrophobicContact CG-CD2 4.28Å; Q262-Y322 HydrophobicContact CG-CE1 3.44Å; Q262-Y322 VanDerWaalsContact CG-CE1 3.44Å; Q262-Y322 HydrophobicContact CG-CE2 3.94Å; Q262-Y322 HydrophobicContact CG-CG 4.21Å; Q262-Y322 PolarHBondContact NE2-OH 3.48Å
263P96.8Very high89.6Confident22 Ų2248.2 Ų48.214%0.14325%0.248CC..  trans-66.8137.717926.3-33.2000111.6V276 L277 E279 K284P263-V276 WeakPolarHBondContact O-CA 3.45Å; P263-L277 WeakPolarHBondContact CB-O 3.47Å; P263-L277 WeakPolarHBondContact CG-O 3.48Å; P263-L277 PolarHBondContact O-N 2.8Å; P263-E279 HydrophobicContact CB-CG 4.2Å; P263-K284 CarbonylContact C-O 3.53Å; P263-K284 WeakPolarHBondContact CA-O 3.42Å
264V97.4Very high90.4Very high4 Ų447.7 Ų47.72%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-113.9133.9-176.7173.70000110.3H274 G275 K284 A286 R312 I318V264-H274 HydrophobicContact CG1-CB 4.45Å; V264-G275 WeakPolarHBondContact CA-O 3.13Å; V264-K284 PolarHBondContact N-O 3Å; V264-K284 PolarHBondContact O-N 2.86Å; V264-A286 HydrophobicContact CB-CB 4.18Å; V264-A286 HydrophobicContact CG2-CB 3.86Å; V264-R312 HydrophobicContact CB-CB 4.14Å; V264-R312 HydrophobicContact CB-CG 4.43Å; V264-R312 HydrophobicContact CG1-CB 4.12Å; V264-I318 HydrophobicContact CG1-CD1 3.55Å; V264-I318 HydrophobicContact CG2-CG2 4.19Å
265G96.6Very high91.2Very high1 Ų142.5 Ų42.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-148.1164.5-17900000113.5I267 H274 G275G265-I267 PolarHBondContact O-N 2.84Å; G265-H274 CarbonylContact O-C 3.56Å; G265-H274 WeakPolarHBondContact O-CA 3.29Å; G265-H274 WeakPolarHBondContact O-CB 3.41Å; G265-G275 PolarHBondContact N-O 3.01Å; G265-G275 PolarHBondContact O-N 3.04Å
266P94Very high91.7Very high40 Ų4037.2 Ų37.226%0.2619%0.189SC..EExtended strand (participates in β ladder)trans-72.2124.717529.9-32.7000110.6R269P266-R269 HydrophobicContact CB-CG 4.14Å
267I91.7Very high92.1Very high28 Ų2837.5 Ų37.514%0.14419%0.187CC..EExtended strand (participates in β ladder)trans-89-44.5171.8-70.9174.6000109.8G265 V273 W338 I352 I356G265-I267 PolarHBondContact O-N 2.84Å; I267-V273 PolarHBondContact N-O 2.86Å; I267-W338 HydrophobicContact CD1-CH2 4.03Å; I267-W338 HydrophobicContact CD1-CZ3 4.04Å; I267-I352 HydrophobicContact CG2-CG2 3.41Å; I267-I352 VanDerWaalsContact CG2-CG2 3.41Å; I267-I356 HydrophobicContact CG2-CD1 3.71Å; I267-I356 HydrophobicContact CG2-CG1 3.82Å
268S88.7Confident92.1Very high16 Ų1640.3 Ų40.311%0.11221%0.205CC..EExtended strand (participates in β ladder)trans-133.8109173176.60000110.7R270 M271 G272 V273S268-R270 VanDerWaalsContact C-N 3.31Å; S268-R270 PolarHBondContact O-N 3.04Å; S268-M271 PolarHBondContact O-N 3.04Å; S268-M271 PolarHBondContact OG-N 3.3Å; S268-G272 PolarHBondContact O-N 2.83Å; S268-V273 PolarHBondContact N-O 3.38Å; S268-V273 PolarHBondContact O-N 3.29Å
269R82.9Confident92.1Very high214 Ų21446.4 Ų46.481%0.80823%0.234SC*.THydrogen-bonded Turntrans-65.9-34.6177-73.1-176.7-105.4-84.10.3112.4P266 G272P266-R269 HydrophobicContact CB-CG 4.14Å; R269-G272 PolarHBondContact O-N 2.83Å
270R78.9Confident92.2Very high159 Ų15951.6 Ų51.660%0.627%0.27SS*.THydrogen-bonded Turntrans-64.7-42.8179.2-179.2178.4173.8164.23111.6N99 S268N99-R270 PolarHBondContact OD1-NH2 3.33Å; S268-R270 VanDerWaalsContact C-N 3.31Å; S268-R270 PolarHBondContact O-N 3.04Å
271M83.2Confident92.1Very high62 Ų6254.2 Ų54.231%0.30529%0.292SS..THydrogen-bonded Turntrans-92-6.1-179.4-60.1-169-51.100113.6S268 V273 I356 L359S268-M271 PolarHBondContact O-N 3.04Å; S268-M271 PolarHBondContact OG-N 3.3Å; M271-V273 VanDerWaalsContact C-N 3.26Å; M271-V273 HydrophobicContact CB-CG2 3.77Å; M271-V273 HydrophobicContact CE-CG2 4.02Å; M271-V273 PolarHBondContact O-N 2.78Å; M271-I356 HydrophobicContact CE-CB 4.19Å; M271-I356 HydrophobicContact CE-CG1 4.38Å; M271-I356 HydrophobicContact CE-CG2 3.7Å; M271-I356 WeakPolarHBondContact CE-O 3.3Å; M271-L359 HydrophobicContact CE-CB 3.95Å; M271-L359 HydrophobicContact CE-CD1 4.48Å
272G86.6Confident92Very high34 Ų3453.9 Ų53.935%0.35130%0.297SS..THydrogen-bonded Turntrans68.724.1-17500000113.7S268 R269S268-G272 PolarHBondContact O-N 2.83Å; R269-G272 PolarHBondContact O-N 2.83Å
273V92.2Very high92.1Very high2 Ų251.6 Ų51.61%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-89.4128.1-178.6-177.60000109.7I267 S268 M271 L332 W338 L359I267-V273 PolarHBondContact N-O 2.86Å; S268-V273 PolarHBondContact N-O 3.38Å; S268-V273 PolarHBondContact O-N 3.29Å; M271-V273 VanDerWaalsContact C-N 3.26Å; M271-V273 HydrophobicContact CB-CG2 3.77Å; M271-V273 HydrophobicContact CE-CG2 4.02Å; M271-V273 PolarHBondContact O-N 2.78Å; V273-L332 HydrophobicContact CG2-CD1 3.96Å; V273-L332 HydrophobicContact CG2-CD2 4.43Å; V273-W338 HydrophobicContact CG1-CH2 3.71Å; V273-W338 HydrophobicContact CG1-CZ2 3.75Å; V273-L359 HydrophobicContact CG1-CD1 4.03Å; V273-L359 HydrophobicContact CG2-CD1 4.22Å
274H95.9Very high92.1Very high32 Ų3256.7 Ų56.715%0.14831%0.308CS..EExtended strand (participates in β ladder)trans-118.5157.7175.7-77.9-120.8000109.6V264 G265 I318 Y333V264-H274 HydrophobicContact CG1-CB 4.45Å; G265-H274 CarbonylContact O-C 3.56Å; G265-H274 WeakPolarHBondContact O-CA 3.29Å; G265-H274 WeakPolarHBondContact O-CB 3.41Å; H274-I318 HydrophobicContact CB-CD1 3.54Å; H274-Y333 PolarHBondContact N-OH 3.11Å; H274-Y333 WeakPolarHBondContact O-CE1 3.41Å; H274-Y333 PolarHBondContact O-OH 2.58Å
275G95.7Very high92.1Very high0 Ų060.5 Ų60.50%032%0.324CS..EExtended strand (participates in β ladder)trans-161-171.3172.800000111.4V264 G265 L277V264-G275 WeakPolarHBondContact CA-O 3.13Å; G265-G275 PolarHBondContact N-O 3.01Å; G265-G275 PolarHBondContact O-N 3.04Å; G275-L277 PolarHBondContact O-N 3.15Å
276V95Very high92.1Very high21 Ų2160.5 Ų60.513%0.12732%0.324CS..EExtended strand (participates in β ladder)trans-69.8125.5172.4176.60000108.7Q262 P263 I318 Y322 A346Q262-V276 HydrophobicContact CB-CG1 3.99Å; Q262-V276 HydrophobicContact CB-CG2 3.91Å; Q262-V276 HydrophobicContact CG-CG1 4.44Å; P263-V276 WeakPolarHBondContact O-CA 3.45Å; V276-I318 HydrophobicContact CG2-CG2 3.8Å; V276-Y322 HydrophobicContact CB-CD2 4.35Å; V276-Y322 HydrophobicContact CG2-CD2 3.69Å; V276-Y322 HydrophobicContact CG2-CE2 4.43Å; V276-Y322 HydrophobicContact CG2-CG 4.07Å; V276-A346 HydrophobicContact CB-CB 4.07Å; V276-A346 HydrophobicContact CG1-CB 4.34Å
277L93.8Very high92.2Very high24 Ų2462.3 Ų62.313%0.12633%0.326CS..  trans-143.3131.3-176.9-169.271000108.3P263 G275 A281 G283P263-L277 WeakPolarHBondContact CB-O 3.47Å; P263-L277 WeakPolarHBondContact CG-O 3.48Å; P263-L277 PolarHBondContact O-N 2.8Å; G275-L277 PolarHBondContact O-N 3.15Å; L277-A281 HydrophobicContact CD1-CB 3.78Å; L277-A281 HydrophobicContact CD2-CB 4.08Å; L277-A281 WeakPolarHBondContact CD2-O 3.33Å; L277-A281 HydrophobicContact CG-CB 3.73Å; L277-G283 VanDerWaalsContact O-CA 3.31Å; L277-G283 WeakPolarHBondContact O-CA 3.35Å
278P93.1Very high92.4Very high71 Ų7161 Ų6146%0.46132%0.319SS..  trans-62153.3177.926.8-33.9000110.6S280 A281 G282 G283P278-S280 PolarHBondContact O-N 2.9Å; P278-A281 HydrophobicContact CG-CB 3.99Å; P278-A281 PolarHBondContact O-N 3.01Å; P278-G282 PolarHBondContact O-N 2.84Å; P278-G283 PolarHBondContact O-N 2.87Å
279E94.5Very high92.8Very high128 Ų12861.3 Ų61.360%0.59832%0.318SS*.G310 helixtrans-60.4-32.1-179.1-61-165.2163.600112.3P263 A281 G282 G283P263-E279 HydrophobicContact CB-CG 4.2Å; E279-A281 PolarHBondContact O-N 2.62Å; E279-G282 PolarHBondContact O-N 3.11Å; E279-G283 WeakPolarHBondContact CA-O 3.31Å
280S95.2Very high93.4Very high118 Ų11851.1 Ų51.183%0.82528%0.28SS*.G310 helixtrans-59.5-27.3173.656.10000113.7P278P278-S280 PolarHBondContact O-N 2.9Å
281A92.4Very high94.2Very high59 Ų5944.2 Ų44.249%0.48826%0.255SS..G310 helixtrans-98.49.4175.800000112.9L277 P278 E279L277-A281 HydrophobicContact CD1-CB 3.78Å; L277-A281 HydrophobicContact CD2-CB 4.08Å; L277-A281 WeakPolarHBondContact CD2-O 3.33Å; L277-A281 HydrophobicContact CG-CB 3.73Å; P278-A281 HydrophobicContact CG-CB 3.99Å; P278-A281 PolarHBondContact O-N 3.01Å; E279-A281 PolarHBondContact O-N 2.62Å
282G93Very high94.8Very high42 Ų4244.5 Ų44.543%0.43325%0.252SS..THydrogen-bonded Turntrans92.911.7177.800000114.7P278 E279P278-G282 PolarHBondContact O-N 2.84Å; E279-G282 PolarHBondContact O-N 3.11Å
283G96.2Very high95.2Very high7 Ų744.2 Ų44.27%0.07224%0.243CC..  trans-59.8151.4163.800000111.6L277 P278 E279L277-G283 VanDerWaalsContact O-CA 3.31Å; L277-G283 WeakPolarHBondContact O-CA 3.35Å; P278-G283 PolarHBondContact O-N 2.87Å; E279-G283 WeakPolarHBondContact CA-O 3.31Å
284K97.7Very high95.3Very high129 Ų12945.2 Ų45.256%0.56125%0.25SS*.BIsolated β-bridgetrans-123.2138.1178-64-177.2-179.8-178.40109.5P263 V264 A286P263-K284 CarbonylContact C-O 3.53Å; P263-K284 WeakPolarHBondContact CA-O 3.42Å; V264-K284 PolarHBondContact N-O 3Å; V264-K284 PolarHBondContact O-N 2.86Å; K284-A286 PolarHBondContact O-N 3.21Å
285F96.5Very high95.3Very high84 Ų8447.7 Ų47.737%0.36826%0.259SS..  trans-43.9127.5173-179.9-102000111.9R287 T310 R312F285-R287 HydrophobicContact CE1-CB 4.1Å; F285-R287 HydrophobicContact CZ-CB 3.84Å; F285-T310 HydrophobicContact CD1-CG2 4.04Å; F285-T310 HydrophobicContact CE1-CG2 4.15Å; F285-R312 PolarHBondContact O-NE 3.34Å; F285-R312 PolarHBondContact O-NH2 3.41Å; F285-R312 VanDerWaalsContact O-NH2 3.07Å
286A96.7Very high95.2Very high0 Ų049.7 Ų49.70%027%0.269CS..  trans-141.4135.417900000108.9S261 V264 K284 T310 R312 Q315S261-A286 CarbonylContact C-O 3.56Å; S261-A286 WeakPolarHBondContact CA-O 3.43Å; V264-A286 HydrophobicContact CB-CB 4.18Å; V264-A286 HydrophobicContact CG2-CB 3.86Å; K284-A286 PolarHBondContact O-N 3.21Å; A286-T310 VanDerWaalsContact CA-OG1 3.25Å; A286-T310 WeakPolarHBondContact CA-OG1 3.5Å; A286-R312 HydrophobicContact CB-CG 3.76Å; A286-Q315 HydrophobicContact CB-CG 4.13Å
287R95.7Very high95.3Very high79 Ų7953 Ų5330%0.29829%0.292SS..  trans-137.2130.9179.2-174.7178.5-166.3-167.73.8111.5C260 F285 H289 F309 T310 Q315C260-R287 WeakPolarHBondContact O-CA 3.22Å; F285-R287 HydrophobicContact CE1-CB 4.1Å; F285-R287 HydrophobicContact CZ-CB 3.84Å; R287-H289 PolarHBondContact NE-NE2 2.76Å; R287-H289 PolarHBondContact NH2-NE2 3.24Å; R287-F309 HydrophobicContact CB-CB 4.17Å; R287-F309 HydrophobicContact CG-CB 4.47Å; R287-F309 HydrophobicContact CG-CD2 4.28Å; R287-F309 PolarHBondContact O-N 3.2Å; R287-F309 VanDerWaalsContact O-N 3.16Å; R287-T310 PolarHBondContact N-OG1 3.06Å; R287-Q315 VanDerWaalsContact C-NE2 3.28Å; R287-Q315 PolarHBondContact O-NE2 3.4Å
288T96.5Very high95.3Very high0 Ų058.3 Ų58.30%032%0.324CS..EExtended strand (participates in β ladder)trans-134.3136.5176-43.70000109C260 F290 C306 R307 L308 Q315 I316 H319C260-T288 PolarHBondContact N-O 3.22Å; C260-T288 PolarHBondContact O-N 2.89Å; T288-F290 HydrophobicContact CG2-CD1 4.17Å; T288-F290 HydrophobicContact CG2-CD2 4.22Å; T288-F290 HydrophobicContact CG2-CE1 3.54Å; T288-F290 HydrophobicContact CG2-CE2 3.61Å; T288-F290 HydrophobicContact CG2-CG 4.47Å; T288-F290 HydrophobicContact CG2-CZ 3.23Å; T288-C306 HydrophobicContact CG2-CB 4.15Å; T288-R307 WeakPolarHBondContact CA-O 3.26Å; T288-L308 HydrophobicContact CG2-CD2 3.86Å; T288-L308 WeakPolarHBondContact OG1-CD2 3.49Å; T288-Q315 PolarHBondContact OG1-NE2 2.8Å; T288-I316 HydrophobicContact CG2-CG1 4.44Å; T288-H319 WeakPolarHBondContact CB-ND1 3.37Å; T288-H319 PolarHBondContact OG1-ND1 3.38Å
289H96.3Very high95.4Very high22 Ų2258.7 Ų58.710%0.10233%0.325CS..EExtended strand (participates in β ladder)trans-103.5141.8167.1-69.1-179.3000109.2V257 V258 V259 R287 C306 R307 F309 L455V257-H289 HydrophobicContact CG1-CB 3.74Å; V258-H289 CarbonylContact O-C 3.4Å; V258-H289 WeakPolarHBondContact O-CA 3.46Å; V259-H289 WeakPolarHBondContact CG2-NE2 3.37Å; R287-H289 PolarHBondContact NE-NE2 2.76Å; R287-H289 PolarHBondContact NH2-NE2 3.24Å; H289-C306 CarbonylContact O-C 3.56Å; H289-C306 VanDerWaalsContact O-CA 3.25Å; H289-C306 WeakPolarHBondContact O-CA 3.38Å; H289-R307 HydrophobicContact CB-CB 4.29Å; H289-R307 PolarHBondContact N-O 3.15Å; H289-R307 PolarHBondContact O-N 3.45Å; H289-F309 HydrophobicContact CB-CE2 4.1Å; H289-F309 AromaticContact CD2-CE2 3.79Å; H289-F309 AromaticContact CE1-CE2 3.61Å; H289-F309 AromaticContact CE1-CZ 3.64Å; H289-F309 AromaticContact CG-CE2 3.44Å; H289-F309 VanDerWaalsContact CG-CE2 3.44Å; H289-F309 AromaticContact ND1-CE2 3.3Å; H289-F309 VanDerWaalsContact ND1-CE2 3.3Å; H289-F309 WeakPolarHBondContact ND1-CE2 3.43Å; H289-F309 AromaticContact ND1-CZ 3.52Å; H289-F309 AromaticContact NE2-CE2 3.89Å; H289-L455 HydrophobicContact CB-CD2 3.62Å
290F96.6Very high95.6Very high0 Ų056.3 Ų56.30%032%0.317CS..EExtended strand (participates in β ladder)trans-128.3139.5-178-58.3-85.2000109.8F240 V257 V258 C260 T288 V304 I305 C306 I316 H319 V320 L323F240-F290 HydrophobicContact CE1-CB 3.56Å; F240-F290 HydrophobicContact CE1-CG 4.32Å; F240-F290 HydrophobicContact CZ-CB 3.59Å; F240-F290 HydrophobicContact CZ-CD1 4.31Å; F240-F290 HydrophobicContact CZ-CD2 4.32Å; F240-F290 AromaticContact CZ-CG 3.85Å; F240-F290 HydrophobicContact CZ-CG 3.85Å; V257-F290 WeakPolarHBondContact CA-O 3.46Å; V258-F290 HydrophobicContact CB-CB 4.3Å; V258-F290 PolarHBondContact N-O 3.28Å; V258-F290 PolarHBondContact O-N 3.17Å; C260-F290 HydrophobicContact CB-CE2 3.97Å; T288-F290 HydrophobicContact CG2-CD1 4.17Å; T288-F290 HydrophobicContact CG2-CD2 4.22Å; T288-F290 HydrophobicContact CG2-CE1 3.54Å; T288-F290 HydrophobicContact CG2-CE2 3.61Å; T288-F290 HydrophobicContact CG2-CG 4.47Å; T288-F290 HydrophobicContact CG2-CZ 3.23Å; F290-V304 HydrophobicContact CB-CG1 3.86Å; F290-V304 HydrophobicContact CD1-CG1 3.93Å; F290-V304 HydrophobicContact CG-CG1 4.39Å; F290-I305 WeakPolarHBondContact CA-O 3.24Å; F290-C306 HydrophobicContact CD1-CB 3.97Å; F290-C306 WeakPolarHBondContact CD1-SG 3.49Å; F290-C306 HydrophobicContact CE1-CB 4.03Å; F290-I316 HydrophobicContact CE1-CG2 4.23Å; F290-H319 HydrophobicContact CE2-CB 4.06Å; F290-H319 HydrophobicContact CZ-CB 3.73Å; F290-V320 HydrophobicContact CD1-CG1 4.01Å; F290-V320 HydrophobicContact CE1-CG1 3.34Å; F290-V320 HydrophobicContact CZ-CG1 3.69Å; F290-L323 HydrophobicContact CD2-CD1 3.98Å; F290-L323 HydrophobicContact CE2-CD1 3.91Å
291L95.6Very high95.7Very high15 Ų1551.1 Ų51.18%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-133.7130168.9-16874.2000108.8G256 V257 V304 I305 A451 Q454 L455G256-L291 WeakPolarHBondContact O-CD1 3.36Å; V257-L291 HydrophobicContact CG2-CD1 4.11Å; L291-V304 WeakPolarHBondContact O-CA 3.48Å; L291-V304 WeakPolarHBondContact O-CG1 3.4Å; L291-I305 HydrophobicContact CB-CG2 3.97Å; L291-I305 PolarHBondContact N-O 2.97Å; L291-I305 WeakPolarHBondContact O-CG2 3.41Å; L291-I305 PolarHBondContact O-N 3.18Å; L291-A451 HydrophobicContact CD2-CB 3.53Å; L291-Q454 HydrophobicContact CD2-CB 4.48Å; L291-Q454 HydrophobicContact CD2-CG 4.45Å; L291-L455 HydrophobicContact CB-CD1 4.26Å; L291-L455 HydrophobicContact CB-CD2 4.29Å; L291-L455 HydrophobicContact CB-CG 4.27Å
292R95.3Very high95.9Very high67 Ų6748.3 Ų48.325%0.25326%0.257SS..EExtended strand (participates in β ladder)trans-74.1127.5176-177.5179.465.2-1793.6109.8C239 F240 T242 S294C239-R292 PolarHBondContact SG-NH1 3.17Å; F240-R292 HydrophobicContact CB-CB 4.39Å; F240-R292 HydrophobicContact CB-CG 4.38Å; F240-R292 HydrophobicContact CD1-CB 4.34Å; F240-R292 WeakPolarHBondContact O-CD 3.33Å; F240-R292 PolarHBondContact O-NH1 2.72Å; F240-R292 VanDerWaalsContact O-NH1 3.08Å; T242-R292 HydrophobicContact CG2-CB 4.28Å; T242-R292 PolarHBondContact OG1-NH2 3.17Å; R292-S294 WeakPolarHBondContact CG-O 3.4Å
293L94.9Very high96.1Very high29 Ų2946.4 Ų46.415%0.15224%0.237CC..EExtended strand (participates in β ladder)trans-88.2-43173.8-64.1175.1000111.7L303 I305 I448 A451L293-L303 HydrophobicContact CB-CB 4.36Å; L293-L303 HydrophobicContact CB-CD2 4.32Å; L293-L303 HydrophobicContact CB-CG 4.43Å; L293-L303 HydrophobicContact CD1-CD2 3.9Å; L293-L303 HydrophobicContact CD1-CG 4.13Å; L293-L303 PolarHBondContact N-O 2.84Å; L293-I305 HydrophobicContact CD1-CB 4.09Å; L293-I305 HydrophobicContact CD1-CG2 4.39Å; L293-I305 HydrophobicContact CD2-CB 4.38Å; L293-I305 HydrophobicContact CD2-CG2 3.81Å; L293-I305 HydrophobicContact CG-CB 4.21Å; L293-I305 HydrophobicContact CG-CG2 3.99Å; L293-I448 HydrophobicContact CD1-CD1 4.47Å; L293-I448 HydrophobicContact CD1-CG1 3.68Å; L293-I448 HydrophobicContact CD2-CG1 4.32Å; L293-A451 HydrophobicContact CD2-CB 3.66Å
294S95.1Very high96.2Very high23 Ų2346.1 Ų46.116%0.16123%0.234CC..EExtended strand (participates in β ladder)trans-151.8161.4-18067.20000111.6R292 S302 L303 V441R292-S294 WeakPolarHBondContact CG-O 3.4Å; S294-S302 VanDerWaalsContact O-CA 3.27Å; S294-S302 WeakPolarHBondContact O-CA 3Å; S294-S302 WeakPolarHBondContact O-CB 3.46Å; S294-L303 PolarHBondContact N-O 2.77Å; S294-L303 PolarHBondContact O-N 3.17Å; S294-L303 WeakPolarHBondContact OG-CB 3.04Å; S294-V441 WeakPolarHBondContact OG-CG2 3.31Å
295Y95.1Very high96.2Very high83 Ų8340 Ų4033%0.32521%0.207SC..EExtended strand (participates in β ladder)trans-132130.1170.9171.8-122.2000109.2C239 P297 D300 T301C239-Y295 HydrophobicContact CB-CD1 4.44Å; C239-Y295 HydrophobicContact CB-CD2 3.87Å; C239-Y295 HydrophobicContact CB-CE1 4.13Å; C239-Y295 HydrophobicContact CB-CE2 3.53Å; C239-Y295 HydrophobicContact CB-CG 4.32Å; Y295-P297 HydrophobicContact CD1-CB 4.49Å; Y295-P297 HydrophobicContact CE1-CB 3.79Å; Y295-D300 VanDerWaalsContact CE2-OD1 3.26Å; Y295-D300 WeakPolarHBondContact CE2-OD1 3.23Å; Y295-D300 PolarHBondContact OH-OD1 3.16Å; Y295-T301 VanDerWaalsContact CD2-O 3.23Å; Y295-T301 WeakPolarHBondContact CD2-O 3.31Å
296N95.2Very high96.2Very high42 Ų4236 Ų3623%0.22519%0.189CC..EExtended strand (participates in β ladder)trans-106.7105.9175.1-174-23.7000109.2V298 T299 D300 T301 E439N296-V298 VanDerWaalsContact C-N 3.26Å; N296-V298 PolarHBondContact O-N 3.04Å; N296-V298 WeakPolarHBondContact OD1-CB 3.39Å; N296-V298 PolarHBondContact OD1-N 3.31Å; N296-T299 WeakPolarHBondContact CB-OG1 3.36Å; N296-T299 VanDerWaalsContact CG-OG1 3.29Å; N296-T299 PolarHBondContact OD1-N 2.82Å; N296-D300 VanDerWaalsContact O-CA 3.28Å; N296-D300 WeakPolarHBondContact O-CA 3.43Å; N296-D300 PolarHBondContact O-N 3.28Å; N296-T301 PolarHBondContact N-O 2.75Å; N296-T301 PolarHBondContact O-N 3.07Å; N296-T301 VanDerWaalsContact O-N 3.16Å; N296-E439 PolarHBondContact ND2-OE2 2.93Å
297P95.3Very high96.3Very high92 Ų9239.2 Ų39.260%0.59720%0.202SC*.THydrogen-bonded Turntrans-72.1-17-177.728.7-35.2000113.7Y295Y295-P297 HydrophobicContact CD1-CB 4.49Å; Y295-P297 HydrophobicContact CE1-CB 3.79Å
298V95.2Very high96.4Very high134 Ų13436 Ų3681%0.81219%0.19SC*.THydrogen-bonded Turntrans-75.5-43.4179.4179.20000110.5N296N296-V298 VanDerWaalsContact C-N 3.26Å; N296-V298 PolarHBondContact O-N 3.04Å; N296-V298 WeakPolarHBondContact OD1-CB 3.39Å; N296-V298 PolarHBondContact OD1-N 3.31Å
299T95.2Very high96.3Very high79 Ų7938.6 Ų38.649%0.48520%0.202SC..THydrogen-bonded Turntrans-90.8-9.3176.955.60000112.8N296 T301N296-T299 WeakPolarHBondContact CB-OG1 3.36Å; N296-T299 VanDerWaalsContact CG-OG1 3.29Å; N296-T299 PolarHBondContact OD1-N 2.82Å; T299-T301 WeakPolarHBondContact O-CG2 3.29Å; T299-T301 PolarHBondContact OG1-OG1 3.35Å
300D97.2Very high96.3Very high78 Ų7838 Ų3842%0.41720%0.199SC..THydrogen-bonded Turntrans48.159.9-168.1-169.135.6000111.8G238 Y295 N296G238-D300 WeakPolarHBondContact CA-O 3.19Å; G238-D300 PolarHBondContact N-O 2.94Å; Y295-D300 VanDerWaalsContact CE2-OD1 3.26Å; Y295-D300 WeakPolarHBondContact CE2-OD1 3.23Å; Y295-D300 PolarHBondContact OH-OD1 3.16Å; N296-D300 VanDerWaalsContact O-CA 3.28Å; N296-D300 WeakPolarHBondContact O-CA 3.43Å; N296-D300 PolarHBondContact O-N 3.28Å
301T97.4Very high96.1Very high10 Ų1040.6 Ų40.66%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-139.8156.4-179.761.40000111.9H235 V236 G238 Y295 N296 T299 V328H235-T301 WeakPolarHBondContact NE2-CB 3.37Å; H235-T301 PolarHBondContact NE2-OG1 3.36Å; V236-T301 CarbonylContact O-C 3.6Å; V236-T301 VanDerWaalsContact O-CA 3.25Å; V236-T301 WeakPolarHBondContact O-CA 3.48Å; V236-T301 VanDerWaalsContact O-CB 3.27Å; V236-T301 WeakPolarHBondContact O-CB 3.5Å; G238-T301 CarbonylContact O-C 3.54Å; Y295-T301 VanDerWaalsContact CD2-O 3.23Å; Y295-T301 WeakPolarHBondContact CD2-O 3.31Å; N296-T301 PolarHBondContact N-O 2.75Å; N296-T301 PolarHBondContact O-N 3.07Å; N296-T301 VanDerWaalsContact O-N 3.16Å; T299-T301 WeakPolarHBondContact O-CG2 3.29Å; T299-T301 PolarHBondContact OG1-OG1 3.35Å; T301-V328 HydrophobicContact CG2-CG2 3.69Å
302S97.2Very high96.1Very high0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-125.5141.8178.7-59.90000112.3H235 V236 G238 F240 S294H235-S302 PolarHBondContact CD2-O 2.77Å; V236-S302 PolarHBondContact N-O 2.84Å; V236-S302 PolarHBondContact O-N 2.76Å; G238-S302 WeakPolarHBondContact O-CB 3.21Å; G238-S302 PolarHBondContact O-N 3.04Å; G238-S302 PolarHBondContact O-OG 3.12Å; F240-S302 PolarHBondContact N-OG 3.49Å; S294-S302 VanDerWaalsContact O-CA 3.27Å; S294-S302 WeakPolarHBondContact O-CA 3Å; S294-S302 WeakPolarHBondContact O-CB 3.46Å
303L97.5Very high96.1Very high2 Ų243.3 Ų43.31%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-88.8129.2164.8-167.369.6000109I233 L293 S294 W435 V436 L444I233-L303 HydrophobicContact CG2-CD1 3.51Å; I233-L303 HydrophobicContact CG2-CD2 4.34Å; I233-L303 HydrophobicContact CG2-CG 3.92Å; L293-L303 HydrophobicContact CB-CB 4.36Å; L293-L303 HydrophobicContact CB-CD2 4.32Å; L293-L303 HydrophobicContact CB-CG 4.43Å; L293-L303 HydrophobicContact CD1-CD2 3.9Å; L293-L303 HydrophobicContact CD1-CG 4.13Å; L293-L303 PolarHBondContact N-O 2.84Å; S294-L303 PolarHBondContact N-O 2.77Å; S294-L303 PolarHBondContact O-N 3.17Å; S294-L303 WeakPolarHBondContact OG-CB 3.04Å; L303-W435 HydrophobicContact CD1-CZ3 3.91Å; L303-V436 HydrophobicContact CD1-CG2 4.12Å; L303-V436 HydrophobicContact CD2-CG1 3.94Å; L303-L444 HydrophobicContact CD2-CD1 3.94Å
304V97.3Very high96.2Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-131.1133.4-173.4-178.60000109.7I233 C234 V236 F240 F290 L291I233-V304 CarbonylContact C-O 3.43Å; I233-V304 WeakPolarHBondContact CA-O 3.32Å; C234-V304 PolarHBondContact N-O 3.05Å; C234-V304 PolarHBondContact O-N 3.3Å; V236-V304 HydrophobicContact CG2-CG2 3.74Å; F240-V304 HydrophobicContact CB-CG2 3.89Å; F240-V304 HydrophobicContact CD1-CG1 4.35Å; F240-V304 HydrophobicContact CD1-CG2 3.98Å; F240-V304 HydrophobicContact CD2-CG2 3.99Å; F240-V304 HydrophobicContact CE1-CG1 4.17Å; F240-V304 HydrophobicContact CG-CG2 3.67Å; F240-V304 HydrophobicContact CZ-CG1 4.37Å; F290-V304 HydrophobicContact CB-CG1 3.86Å; F290-V304 HydrophobicContact CD1-CG1 3.93Å; F290-V304 HydrophobicContact CG-CG1 4.39Å; L291-V304 WeakPolarHBondContact O-CA 3.48Å; L291-V304 WeakPolarHBondContact O-CG1 3.4Å
305I97.8Very high96.3Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-96.2138.3167.8-174.8164.7000110.1Y231 Y232 F290 L291 L293 I448 A451 I452 L455Y231-I305 HydrophobicContact CD1-CD1 4.46Å; Y232-I305 CarbonylContact O-C 3.47Å; Y232-I305 WeakPolarHBondContact O-CA 3.37Å; Y232-I305 WeakPolarHBondContact O-CG1 3.32Å; F290-I305 WeakPolarHBondContact CA-O 3.24Å; L291-I305 HydrophobicContact CB-CG2 3.97Å; L291-I305 PolarHBondContact N-O 2.97Å; L291-I305 WeakPolarHBondContact O-CG2 3.41Å; L291-I305 PolarHBondContact O-N 3.18Å; L293-I305 HydrophobicContact CD1-CB 4.09Å; L293-I305 HydrophobicContact CD1-CG2 4.39Å; L293-I305 HydrophobicContact CD2-CB 4.38Å; L293-I305 HydrophobicContact CD2-CG2 3.81Å; L293-I305 HydrophobicContact CG-CB 4.21Å; L293-I305 HydrophobicContact CG-CG2 3.99Å; I305-I448 HydrophobicContact CD1-CG2 4.1Å; I305-A451 HydrophobicContact CG2-CB 3.66Å; I305-I452 HydrophobicContact CD1-CD1 3.99Å; I305-I452 HydrophobicContact CD1-CG1 3.49Å; I305-I452 VanDerWaalsContact CD1-CG1 3.49Å; I305-L455 HydrophobicContact CB-CD1 4.49Å; I305-L455 HydrophobicContact CG1-CD1 4.15Å; I305-L455 HydrophobicContact CG2-CD1 3.8Å
306C98Very high96.5Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-125.5125.6-170.3-440000109.9Y231 Y232 C234 T288 H289 F290 I316Y231-C306 CarbonylContact C-O 3.55Å; Y231-C306 VanDerWaalsContact CA-O 3.29Å; Y231-C306 WeakPolarHBondContact CA-O 3.35Å; Y232-C306 PolarHBondContact N-O 2.97Å; Y232-C306 PolarHBondContact O-N 3.5Å; C234-C306 PolarHBondContact SG-SG 2.84Å; T288-C306 HydrophobicContact CG2-CB 4.15Å; H289-C306 CarbonylContact O-C 3.56Å; H289-C306 VanDerWaalsContact O-CA 3.25Å; H289-C306 WeakPolarHBondContact O-CA 3.38Å; F290-C306 HydrophobicContact CD1-CB 3.97Å; F290-C306 WeakPolarHBondContact CD1-SG 3.49Å; F290-C306 HydrophobicContact CE1-CB 4.03Å; C306-I316 HydrophobicContact CB-CD1 4.09Å
307R97.8Very high96.7Very high68 Ų6837.1 Ų37.126%0.25721%0.21SC..EExtended strand (participates in β ladder)trans-100119.9169-177.6-179.2178.9-174.75.9110.5K230 Y231 T288 H289 F309 L455K230-R307 WeakPolarHBondContact O-CA 3.23Å; Y231-R307 HydrophobicContact CD1-CB 4.12Å; Y231-R307 HydrophobicContact CD1-CG 4.41Å; Y231-R307 HydrophobicContact CE1-CB 3.95Å; Y231-R307 HydrophobicContact CE1-CG 3.95Å; T288-R307 WeakPolarHBondContact CA-O 3.26Å; H289-R307 HydrophobicContact CB-CB 4.29Å; H289-R307 PolarHBondContact N-O 3.15Å; H289-R307 PolarHBondContact O-N 3.45Å; R307-F309 HydrophobicContact CB-CE2 4.34Å; R307-F309 HydrophobicContact CG-CD2 4.46Å; R307-F309 HydrophobicContact CG-CE2 3.86Å; R307-F309 HydrophobicContact CG-CZ 4.2Å; R307-L455 HydrophobicContact CB-CB 4.21Å; R307-L455 HydrophobicContact CB-CD1 4.27Å; R307-L455 HydrophobicContact CB-CD2 4.46Å; R307-L455 WeakPolarHBondContact CD-O 3.4Å; R307-L455 VanDerWaalsContact NH1-C 3.31Å; R307-L455 PolarHBondContact NH1-O 3.31Å; R307-L455 PolarHBondContact NH1-OXT 3.43Å
308L97Very high96.8Very high12 Ų1232.8 Ų32.86%0.06318%0.181CC..EExtended strand (participates in β ladder)trans-93.6118.4178.5-79.7-173.7000112.4K230 Y232 T288 Q315 I316K230-L308 HydrophobicContact CB-CB 4.22Å; K230-L308 WeakPolarHBondContact CE-O 3.26Å; K230-L308 PolarHBondContact O-N 2.68Å; Y232-L308 HydrophobicContact CD2-CD1 3.9Å; Y232-L308 HydrophobicContact CD2-CG 4.18Å; Y232-L308 HydrophobicContact CE2-CD1 3.44Å; Y232-L308 VanDerWaalsContact CE2-CD1 3.44Å; Y232-L308 HydrophobicContact CE2-CG 4.14Å; T288-L308 HydrophobicContact CG2-CD2 3.86Å; T288-L308 WeakPolarHBondContact OG1-CD2 3.49Å; L308-Q315 HydrophobicContact CD2-CG 4.17Å; L308-Q315 VanDerWaalsContact CD2-NE2 3.33Å; L308-I316 HydrophobicContact CD1-CD1 3.92Å; L308-I316 HydrophobicContact CD1-CG1 4.19Å; L308-I316 HydrophobicContact CD2-CD1 4.15Å; L308-I316 HydrophobicContact CD2-CG1 3.71Å; L308-I316 HydrophobicContact CG-CD1 3.94Å; L308-I316 HydrophobicContact CG-CG1 4.09Å
309F95.5Very high96.8Very high55 Ų5526.4 Ų26.424%0.24114%0.143CC..SBendtrans-91.8-16.4172.7-68-96.1000113R287 H289 R307R287-F309 HydrophobicContact CB-CB 4.17Å; R287-F309 HydrophobicContact CG-CB 4.47Å; R287-F309 HydrophobicContact CG-CD2 4.28Å; R287-F309 PolarHBondContact O-N 3.2Å; R287-F309 VanDerWaalsContact O-N 3.16Å; H289-F309 HydrophobicContact CB-CE2 4.1Å; H289-F309 AromaticContact CD2-CE2 3.79Å; H289-F309 AromaticContact CE1-CE2 3.61Å; H289-F309 AromaticContact CE1-CZ 3.64Å; H289-F309 AromaticContact CG-CE2 3.44Å; H289-F309 VanDerWaalsContact CG-CE2 3.44Å; H289-F309 AromaticContact ND1-CE2 3.3Å; H289-F309 VanDerWaalsContact ND1-CE2 3.3Å; H289-F309 WeakPolarHBondContact ND1-CE2 3.43Å; H289-F309 AromaticContact ND1-CZ 3.52Å; H289-F309 AromaticContact NE2-CE2 3.89Å; R307-F309 HydrophobicContact CB-CE2 4.34Å; R307-F309 HydrophobicContact CG-CD2 4.46Å; R307-F309 HydrophobicContact CG-CE2 3.86Å; R307-F309 HydrophobicContact CG-CZ 4.2Å
310T95.3Very high96.9Very high8 Ų822.6 Ų22.65%0.04912%0.12CC..SBendtrans-128.3-174.117453.60000109.1K230 F285 A286 R287 Q315K230-T310 PolarHBondContact NZ-O 3.04Å; F285-T310 HydrophobicContact CD1-CG2 4.04Å; F285-T310 HydrophobicContact CE1-CG2 4.15Å; A286-T310 VanDerWaalsContact CA-OG1 3.25Å; A286-T310 WeakPolarHBondContact CA-OG1 3.5Å; R287-T310 PolarHBondContact N-OG1 3.06Å; T310-Q315 PolarHBondContact OG1-NE2 2.93Å; T310-Q315 PolarHBondContact OG1-OE1 2.86Å
311G93.5Very high96.9Very high56 Ų5619.1 Ų19.158%0.57710%0.101SC*.  trans-14956.8179.800000111.4
312R95.7Very high96.8Very high98 Ų9819.7 Ų19.737%0.3710%0.102SC..  trans-78.2153177.5-49.8-50.6179.4-169.30.6110.2V264 F285 A286 H314 Q315V264-R312 HydrophobicContact CB-CB 4.14Å; V264-R312 HydrophobicContact CB-CG 4.43Å; V264-R312 HydrophobicContact CG1-CB 4.12Å; F285-R312 PolarHBondContact O-NE 3.34Å; F285-R312 PolarHBondContact O-NH2 3.41Å; F285-R312 VanDerWaalsContact O-NH2 3.07Å; A286-R312 HydrophobicContact CB-CG 3.76Å; R312-H314 PolarHBondContact O-N 2.51Å; R312-Q315 HydrophobicContact CB-CB 4.16Å; R312-Q315 VanDerWaalsContact O-CB 3.27Å; R312-Q315 WeakPolarHBondContact O-CB 3.5Å; R312-Q315 PolarHBondContact O-N 2.88Å; R312-Q315 VanDerWaalsContact O-N 3.14Å
313T95.4Very high96.6Very high41 Ų4119.8 Ų19.825%0.25210%0.102SC..THydrogen-bonded Turntrans-53.6129.6175.9-52.20000110Q315T313-Q315 PolarHBondContact O-N 3.49Å; T313-Q315 VanDerWaalsContact O-N 3.07Å
314H97.2Very high96.5Very high28 Ų2821 Ų2113%0.1312%0.115CC..THydrogen-bonded Turntrans56.618.9179.2-55.5168000115.3D200 R312 I316 R317 I318 Y333D200-H314 IonicContact OD2-CD2 2.8Å; D200-H314 PolarHBondContact OD2-CD2 3.21Å; D200-H314 VanDerWaalsContact OD2-CD2 3.27Å; R312-H314 PolarHBondContact O-N 2.51Å; H314-I316 PolarHBondContact O-N 3.3Å; H314-R317 HydrophobicContact CB-CB 4.4Å; H314-R317 PolarHBondContact CD2-NH1 2.93Å; H314-R317 PolarHBondContact CE1-NH1 3.35Å; H314-R317 PolarHBondContact NE2-NH1 3.43Å; H314-R317 WeakPolarHBondContact O-CB 3.46Å; H314-R317 PolarHBondContact O-N 3.17Å; H314-R317 VanDerWaalsContact O-N 3.07Å; H314-I318 HydrophobicContact CB-CD1 3.86Å; H314-I318 HydrophobicContact CB-CG1 4.19Å; H314-I318 WeakPolarHBondContact O-CG1 3.37Å; H314-I318 PolarHBondContact O-N 3.32Å; H314-Y333 HydrophobicContact CB-CE2 3.78Å; H314-Y333 AromaticContact CG-CE2 3.79Å; H314-Y333 AromaticContact ND1-CE2 3.41Å; H314-Y333 WeakPolarHBondContact ND1-CE2 3.29Å; H314-Y333 AromaticContact ND1-CZ 3.57Å; H314-Y333 PolarHBondContact ND1-OH 2.95Å
315Q97.6Very high96.4Very high4 Ų422.5 Ų22.52%0.01912%0.121CC..Hα-helixtrans-51.7-50.7-170.1179.6176.2-34.200113.7A286 R287 T288 L308 T310 R312 T313 R317 I318 H319A286-Q315 HydrophobicContact CB-CG 4.13Å; R287-Q315 VanDerWaalsContact C-NE2 3.28Å; R287-Q315 PolarHBondContact O-NE2 3.4Å; T288-Q315 PolarHBondContact OG1-NE2 2.8Å; L308-Q315 HydrophobicContact CD2-CG 4.17Å; L308-Q315 VanDerWaalsContact CD2-NE2 3.33Å; T310-Q315 PolarHBondContact OG1-NE2 2.93Å; T310-Q315 PolarHBondContact OG1-OE1 2.86Å; R312-Q315 HydrophobicContact CB-CB 4.16Å; R312-Q315 VanDerWaalsContact O-CB 3.27Å; R312-Q315 WeakPolarHBondContact O-CB 3.5Å; R312-Q315 PolarHBondContact O-N 2.88Å; R312-Q315 VanDerWaalsContact O-N 3.14Å; T313-Q315 PolarHBondContact O-N 3.49Å; T313-Q315 VanDerWaalsContact O-N 3.07Å; Q315-R317 PolarHBondContact O-N 2.74Å; Q315-I318 PolarHBondContact O-N 3.25Å; Q315-H319 WeakPolarHBondContact O-CB 3.3Å; Q315-H319 PolarHBondContact O-N 2.9Å
316I98.3Very high96.4Very high6 Ų622.7 Ų22.73%0.03112%0.122CC..Hα-helixtrans-60.7-48.3-179.8-64.4176.6000110.2Y232 T288 F290 C306 L308 H314 I318 H319 V320 L416Y232-I316 HydrophobicContact CD1-CD1 3.85Å; Y232-I316 HydrophobicContact CD2-CD1 3.82Å; Y232-I316 HydrophobicContact CE1-CD1 4.47Å; Y232-I316 HydrophobicContact CE2-CD1 4.48Å; Y232-I316 HydrophobicContact CG-CD1 3.48Å; Y232-I316 VanDerWaalsContact CG-CD1 3.48Å; T288-I316 HydrophobicContact CG2-CG1 4.44Å; F290-I316 HydrophobicContact CE1-CG2 4.23Å; C306-I316 HydrophobicContact CB-CD1 4.09Å; L308-I316 HydrophobicContact CD1-CD1 3.92Å; L308-I316 HydrophobicContact CD1-CG1 4.19Å; L308-I316 HydrophobicContact CD2-CD1 4.15Å; L308-I316 HydrophobicContact CD2-CG1 3.71Å; L308-I316 HydrophobicContact CG-CD1 3.94Å; L308-I316 HydrophobicContact CG-CG1 4.09Å; H314-I316 PolarHBondContact O-N 3.3Å; I316-I318 VanDerWaalsContact C-N 3.31Å; I316-I318 PolarHBondContact O-N 3.05Å; I316-H319 PolarHBondContact O-N 3.17Å; I316-V320 HydrophobicContact CG2-CG1 4.32Å; I316-V320 WeakPolarHBondContact O-CG2 3.27Å; I316-V320 PolarHBondContact O-N 3.15Å; I316-L416 HydrophobicContact CB-CD1 4.3Å; I316-L416 HydrophobicContact CB-CD2 4.36Å; I316-L416 HydrophobicContact CD1-CD1 3.9Å; I316-L416 HydrophobicContact CG2-CD1 3.8Å
317R98.4Very high96.5Very high8 Ų822.8 Ų22.83%0.0312%0.123CC..Hα-helixtrans-56.2-46.2-178.7-52.7169.269.3-169.31.2111.4H314 Q315 Q321 I327 D330 Y333 L414 L416H314-R317 HydrophobicContact CB-CB 4.4Å; H314-R317 PolarHBondContact CD2-NH1 2.93Å; H314-R317 PolarHBondContact CE1-NH1 3.35Å; H314-R317 PolarHBondContact NE2-NH1 3.43Å; H314-R317 WeakPolarHBondContact O-CB 3.46Å; H314-R317 PolarHBondContact O-N 3.17Å; H314-R317 VanDerWaalsContact O-N 3.07Å; Q315-R317 PolarHBondContact O-N 2.74Å; R317-Q321 VanDerWaalsContact O-CB 3.29Å; R317-Q321 WeakPolarHBondContact O-CB 3.35Å; R317-Q321 PolarHBondContact O-N 3.35Å; R317-Q321 VanDerWaalsContact O-N 3.1Å; R317-I327 HydrophobicContact CB-CD1 4.33Å; R317-I327 HydrophobicContact CG-CD1 3.84Å; R317-D330 IonicContact CZ-OD1 3.69Å; R317-D330 IonicContact CZ-OD2 2.93Å; R317-D330 IonicContact NE-OD1 3.18Å; R317-D330 IonicContact NE-OD2 2.67Å; R317-D330 PolarHBondContact NE-OD2 3.04Å; R317-D330 VanDerWaalsContact NH2-CG 3.26Å; R317-D330 IonicContact NH2-OD1 2.64Å; R317-D330 PolarHBondContact NH2-OD1 3.47Å; R317-D330 IonicContact NH2-OD2 2.86Å; R317-D330 PolarHBondContact NH2-OD2 3.17Å; R317-D330 VanDerWaalsContact NH2-OD2 3.08Å; R317-Y333 HydrophobicContact CB-CD2 3.61Å; R317-Y333 HydrophobicContact CB-CE2 4Å; R317-Y333 HydrophobicContact CB-CG 4.28Å; R317-Y333 HydrophobicContact CG-CD2 4.45Å; R317-L414 HydrophobicContact CG-CD2 3.96Å; R317-L416 HydrophobicContact CG-CD2 4.2Å
318I97.5Very high96.4Very high1 Ų120.2 Ų20.21%0.00512%0.115CC..Hα-helixtrans-69.8-42.8179.2-65.6162.9000111.2V264 H274 V276 H314 Q315 I316 Q321 Y322 Y333V264-I318 HydrophobicContact CG1-CD1 3.55Å; V264-I318 HydrophobicContact CG2-CG2 4.19Å; H274-I318 HydrophobicContact CB-CD1 3.54Å; V276-I318 HydrophobicContact CG2-CG2 3.8Å; H314-I318 HydrophobicContact CB-CD1 3.86Å; H314-I318 HydrophobicContact CB-CG1 4.19Å; H314-I318 WeakPolarHBondContact O-CG1 3.37Å; H314-I318 PolarHBondContact O-N 3.32Å; Q315-I318 PolarHBondContact O-N 3.25Å; I316-I318 VanDerWaalsContact C-N 3.31Å; I316-I318 PolarHBondContact O-N 3.05Å; I318-Q321 PolarHBondContact O-N 3.46Å; I318-Y322 VanDerWaalsContact O-CB 3.25Å; I318-Y322 WeakPolarHBondContact O-CB 3.12Å; I318-Y322 PolarHBondContact O-N 3.27Å; I318-Y333 HydrophobicContact CD1-CE1 4.44Å; I318-Y333 HydrophobicContact CG1-CD1 4.3Å; I318-Y333 HydrophobicContact CG1-CE1 3.67Å; I318-Y333 HydrophobicContact CG1-CE2 4.38Å
319H96.7Very high96.4Very high0 Ų023.7 Ų23.70%013%0.133CC..Hα-helixtrans-65.5-44.6-178.8-79.4-169.6000111.6C260 Q262 T288 F290 Q315 I316 Y322 L323C260-H319 HydrophobicContact CB-CB 4.2Å; C260-H319 PolarHBondContact O-CE1 2.87Å; C260-H319 VanDerWaalsContact O-CE1 3.29Å; Q262-H319 PolarHBondContact O-NE2 3.49Å; T288-H319 WeakPolarHBondContact CB-ND1 3.37Å; T288-H319 PolarHBondContact OG1-ND1 3.38Å; F290-H319 HydrophobicContact CE2-CB 4.06Å; F290-H319 HydrophobicContact CZ-CB 3.73Å; Q315-H319 WeakPolarHBondContact O-CB 3.3Å; Q315-H319 PolarHBondContact O-N 2.9Å; I316-H319 PolarHBondContact O-N 3.17Å; H319-Y322 PolarHBondContact O-N 2.95Å; H319-L323 WeakPolarHBondContact O-CG 3.5Å; H319-L323 PolarHBondContact O-N 3.36Å
320V96.9Very high96.4Very high0 Ų021.1 Ų21.10%012%0.122CC..Hα-helixtrans-70.6-35.1178.1-56.30000112V236 F290 I316 L323 G324 Y325 I327V236-V320 HydrophobicContact CG1-CB 4.21Å; V236-V320 HydrophobicContact CG1-CG1 4.38Å; V236-V320 HydrophobicContact CG1-CG2 4.15Å; F290-V320 HydrophobicContact CD1-CG1 4.01Å; F290-V320 HydrophobicContact CE1-CG1 3.34Å; F290-V320 HydrophobicContact CZ-CG1 3.69Å; I316-V320 HydrophobicContact CG2-CG1 4.32Å; I316-V320 WeakPolarHBondContact O-CG2 3.27Å; I316-V320 PolarHBondContact O-N 3.15Å; V320-L323 PolarHBondContact O-N 2.81Å; V320-G324 PolarHBondContact O-N 2.87Å; V320-G324 VanDerWaalsContact O-N 3.16Å; V320-Y325 CarbonylContact C-O 3.5Å; V320-Y325 WeakPolarHBondContact CB-O 3.43Å; V320-Y325 WeakPolarHBondContact CG2-O 3.43Å; V320-Y325 CarbonylContact O-C 3.53Å; V320-Y325 VanDerWaalsContact O-C 3.26Å; V320-Y325 WeakPolarHBondContact O-CA 3.4Å; V320-Y325 PolarHBondContact O-N 2.66Å; V320-I327 HydrophobicContact CG2-CD1 4.38Å; V320-I327 HydrophobicContact CG2-CG1 3.97Å
321Q96.6Very high96.3Very high4 Ų422 Ų222%0.01913%0.128CC..Hα-helixtrans-59.8-48.1168.9-176.2-166.836.800111.8R317 I318 L323 G324 P326 Y333 W338 K342R317-Q321 VanDerWaalsContact O-CB 3.29Å; R317-Q321 WeakPolarHBondContact O-CB 3.35Å; R317-Q321 PolarHBondContact O-N 3.35Å; R317-Q321 VanDerWaalsContact O-N 3.1Å; I318-Q321 PolarHBondContact O-N 3.46Å; Q321-L323 VanDerWaalsContact C-N 3.26Å; Q321-L323 PolarHBondContact O-N 3.39Å; Q321-G324 WeakPolarHBondContact O-CA 3.35Å; Q321-G324 PolarHBondContact O-N 3.27Å; Q321-P326 HydrophobicContact CB-CB 4.37Å; Q321-Y333 PolarHBondContact NE2-O 2.81Å; Q321-Y333 VanDerWaalsContact OE1-CD1 3.28Å; Q321-W338 VanDerWaalsContact NE2-CD1 3.29Å; Q321-W338 VanDerWaalsContact NE2-CG 3.31Å; Q321-K342 VanDerWaalsContact CD-O 3.32Å; Q321-K342 WeakPolarHBondContact CG-O 3.48Å; Q321-K342 PolarHBondContact NE2-O 3.18Å
322Y94.9Very high96.4Very high22 Ų2220.2 Ų20.29%0.08611%0.105CC..Hα-helixtrans-59.1-38.7177.4174.6-90.8000111.7T249 Q262 V276 I318 H319 G324 G345 A346T249-Y322 WeakPolarHBondContact O-CE1 3.2Å; T249-Y322 PolarHBondContact O-OH 2.76Å; Q262-Y322 HydrophobicContact CG-CD1 3.8Å; Q262-Y322 HydrophobicContact CG-CD2 4.28Å; Q262-Y322 HydrophobicContact CG-CE1 3.44Å; Q262-Y322 VanDerWaalsContact CG-CE1 3.44Å; Q262-Y322 HydrophobicContact CG-CE2 3.94Å; Q262-Y322 HydrophobicContact CG-CG 4.21Å; Q262-Y322 PolarHBondContact NE2-OH 3.48Å; V276-Y322 HydrophobicContact CB-CD2 4.35Å; V276-Y322 HydrophobicContact CG2-CD2 3.69Å; V276-Y322 HydrophobicContact CG2-CE2 4.43Å; V276-Y322 HydrophobicContact CG2-CG 4.07Å; I318-Y322 VanDerWaalsContact O-CB 3.25Å; I318-Y322 WeakPolarHBondContact O-CB 3.12Å; I318-Y322 PolarHBondContact O-N 3.27Å; H319-Y322 PolarHBondContact O-N 2.95Å; Y322-G324 PolarHBondContact O-N 2.67Å; Y322-G345 VanDerWaalsContact CD2-C 3.48Å; Y322-G345 VanDerWaalsContact CE2-CA 3.47Å; Y322-G345 WeakPolarHBondContact CE2-O 3.38Å; Y322-G345 PolarHBondContact O-N 3.29Å; Y322-A346 HydrophobicContact CD2-CB 3.95Å; Y322-A346 VanDerWaalsContact CD2-N 3.3Å; Y322-A346 HydrophobicContact CE2-CB 3.99Å
323L94.3Very high96.4Very high2 Ų215.6 Ų15.61%0.019%0.088CC..Hα-helixtrans-69.7-14.1174.8-66.3170.3000112.8F240 F251 V258 C260 F290 H319 V320 Q321 Y325F240-L323 HydrophobicContact CE2-CD1 4.25Å; F240-L323 HydrophobicContact CZ-CD1 3.95Å; F251-L323 HydrophobicContact CB-CD2 3.9Å; F251-L323 HydrophobicContact CD1-CD2 3.45Å; F251-L323 VanDerWaalsContact CD1-CD2 3.45Å; F251-L323 HydrophobicContact CE1-CD2 4.29Å; F251-L323 HydrophobicContact CG-CD2 3.97Å; V258-L323 HydrophobicContact CG1-CD1 4.1Å; V258-L323 HydrophobicContact CG1-CD2 4.31Å; C260-L323 HydrophobicContact CB-CD1 4.27Å; C260-L323 HydrophobicContact CB-CD2 4.47Å; F290-L323 HydrophobicContact CD2-CD1 3.98Å; F290-L323 HydrophobicContact CE2-CD1 3.91Å; H319-L323 WeakPolarHBondContact O-CG 3.5Å; H319-L323 PolarHBondContact O-N 3.36Å; V320-L323 PolarHBondContact O-N 2.81Å; Q321-L323 VanDerWaalsContact C-N 3.26Å; Q321-L323 PolarHBondContact O-N 3.39Å; L323-Y325 HydrophobicContact CB-CD2 4.03Å; L323-Y325 VanDerWaalsContact O-CD2 3.31Å; L323-Y325 WeakPolarHBondContact O-CD2 3.45Å; L323-Y325 VanDerWaalsContact O-CE2 3.26Å; L323-Y325 WeakPolarHBondContact O-CE2 3.33Å
324G94.5Very high96.4Very high27 Ų2714.8 Ų14.828%0.2788%0.082SC..THydrogen-bonded Turntrans96.511.4-179.600000114.7V320 Q321 Y322 P326V320-G324 PolarHBondContact O-N 2.87Å; V320-G324 VanDerWaalsContact O-N 3.16Å; Q321-G324 WeakPolarHBondContact O-CA 3.35Å; Q321-G324 PolarHBondContact O-N 3.27Å; Y322-G324 PolarHBondContact O-N 2.67Å; G324-P326 WeakPolarHBondContact O-CD 3.46Å
325Y96.4Very high96.3Very high33 Ų3314.4 Ų14.413%0.1298%0.082CC..  trans-126.665.3-176.2-54.5-86.5000109.4V236 E237 C239 F240 P241 I245 V320 L323V236-Y325 WeakPolarHBondContact CB-O 3.49Å; V236-Y325 WeakPolarHBondContact CG1-O 3.49Å; E237-Y325 WeakPolarHBondContact O-CB 3.35Å; E237-Y325 VanDerWaalsContact O-CD1 3.23Å; E237-Y325 WeakPolarHBondContact O-CD1 3.44Å; C239-Y325 VanDerWaalsContact O-CE1 3.24Å; C239-Y325 WeakPolarHBondContact O-CE1 3.49Å; F240-Y325 HydrophobicContact CD2-CD1 4.31Å; F240-Y325 AromaticContact CD2-CD2 3.87Å; F240-Y325 HydrophobicContact CD2-CD2 3.87Å; F240-Y325 AromaticContact CD2-CG 3.7Å; F240-Y325 HydrophobicContact CD2-CG 3.7Å; F240-Y325 HydrophobicContact CE2-CD2 4.06Å; F240-Y325 HydrophobicContact CE2-CG 4.22Å; P241-Y325 VanDerWaalsContact CD-CZ 3.46Å; P241-Y325 HydrophobicContact CG-CE2 3.96Å; I245-Y325 WeakPolarHBondContact CD1-OH 3.48Å; V320-Y325 CarbonylContact C-O 3.5Å; V320-Y325 WeakPolarHBondContact CB-O 3.43Å; V320-Y325 WeakPolarHBondContact CG2-O 3.43Å; V320-Y325 CarbonylContact O-C 3.53Å; V320-Y325 VanDerWaalsContact O-C 3.26Å; V320-Y325 WeakPolarHBondContact O-CA 3.4Å; V320-Y325 PolarHBondContact O-N 2.66Å; L323-Y325 HydrophobicContact CB-CD2 4.03Å; L323-Y325 VanDerWaalsContact O-CD2 3.31Å; L323-Y325 WeakPolarHBondContact O-CD2 3.45Å; L323-Y325 VanDerWaalsContact O-CE2 3.26Å; L323-Y325 WeakPolarHBondContact O-CE2 3.33Å
326P97.7Very high96Very high4 Ų417.9 Ų17.93%0.02611%0.112CC..PPolyproline II helixtrans-60.2154.2-179.229.2-36.2000111.2V236 E237 Q321 G324 V328 N334 K342V236-P326 WeakPolarHBondContact CA-O 3.5Å; E237-P326 PolarHBondContact N-O 2.82Å; Q321-P326 HydrophobicContact CB-CB 4.37Å; G324-P326 WeakPolarHBondContact O-CD 3.46Å; P326-V328 PolarHBondContact O-N 2.86Å; P326-N334 HydrophobicContact CB-CB 3.88Å; P326-N334 HydrophobicContact CG-CB 4.19Å; P326-K342 HydrophobicContact CG-CD 4.31Å
327I98.5Very high95.9Very high1 Ų119 Ų191%0.00512%0.118CC..BIsolated β-bridgetrans-60135175.8-72.4159000109.5C234 H235 V236 R317 V320 D329 D330 N334 L414 R415 L416C234-I327 HydrophobicContact CB-CD1 4.33Å; C234-I327 HydrophobicContact CB-CG1 4.16Å; H235-I327 WeakPolarHBondContact O-CA 3.47Å; V236-I327 HydrophobicContact CG1-CG1 4.23Å; R317-I327 HydrophobicContact CB-CD1 4.33Å; R317-I327 HydrophobicContact CG-CD1 3.84Å; V320-I327 HydrophobicContact CG2-CD1 4.38Å; V320-I327 HydrophobicContact CG2-CG1 3.97Å; I327-D329 PolarHBondContact O-N 3.31Å; I327-D330 HydrophobicContact CB-CB 4.02Å; I327-D330 HydrophobicContact CG2-CB 4.28Å; I327-D330 VanDerWaalsContact O-CB 3.3Å; I327-D330 WeakPolarHBondContact O-CB 3.44Å; I327-D330 PolarHBondContact O-N 3.21Å; I327-D330 VanDerWaalsContact O-N 3.09Å; I327-N334 WeakPolarHBondContact O-CB 3.46Å; I327-N334 PolarHBondContact O-ND2 2.77Å; I327-N334 VanDerWaalsContact O-ND2 3.15Å; I327-L414 HydrophobicContact CB-CD1 4.35Å; I327-L414 HydrophobicContact CD1-CD2 4.47Å; I327-L414 HydrophobicContact CG2-CD1 3.67Å; I327-L414 HydrophobicContact CG2-CG 4.22Å; I327-R415 HydrophobicContact CG2-CB 4.13Å; I327-L416 HydrophobicContact CD1-CB 4.11Å; I327-L416 HydrophobicContact CD1-CD2 4.34Å
328V97.3Very high95.7Very high14 Ų1418.7 Ų18.79%0.08512%0.116CC..THydrogen-bonded Turntrans-57133178.2179.80000109.4H235 E237 T301 P326 D330H235-V328 PolarHBondContact O-N 2.8Å; E237-V328 HydrophobicContact CG-CG2 4.28Å; T301-V328 HydrophobicContact CG2-CG2 3.69Å; P326-V328 PolarHBondContact O-N 2.86Å; V328-D330 PolarHBondContact O-N 2.64Å; V328-D330 VanDerWaalsContact O-N 3.11Å
329D95.2Very high95.5Very high86 Ų8619 Ų1946%0.4612%0.121SC..THydrogen-bonded Turntrans58.414.9-177.8-51.6-42.5000115.4I327 P331 N410 R415I327-D329 PolarHBondContact O-N 3.31Å; D329-P331 WeakPolarHBondContact O-CD 3.49Å; D329-N410 HydrophobicContact CB-CB 4.32Å; D329-R415 IonicContact OD2-CZ 3.65Å; D329-R415 IonicContact OD2-NE 2.71Å; D329-R415 IonicContact OD2-NH2 3.09Å; D329-R415 PolarHBondContact OD2-NH2 3.28Å
330D97Very high95.3Very high1 Ų128.1 Ų28.11%0.00516%0.163CC..  trans-62.1111.4176.2-174.8-40.8000110R317 I327 V328 L332 Y333 N334 L414R317-D330 IonicContact CZ-OD1 3.69Å; R317-D330 IonicContact CZ-OD2 2.93Å; R317-D330 IonicContact NE-OD1 3.18Å; R317-D330 IonicContact NE-OD2 2.67Å; R317-D330 PolarHBondContact NE-OD2 3.04Å; R317-D330 VanDerWaalsContact NH2-CG 3.26Å; R317-D330 IonicContact NH2-OD1 2.64Å; R317-D330 PolarHBondContact NH2-OD1 3.47Å; R317-D330 IonicContact NH2-OD2 2.86Å; R317-D330 PolarHBondContact NH2-OD2 3.17Å; R317-D330 VanDerWaalsContact NH2-OD2 3.08Å; I327-D330 HydrophobicContact CB-CB 4.02Å; I327-D330 HydrophobicContact CG2-CB 4.28Å; I327-D330 VanDerWaalsContact O-CB 3.3Å; I327-D330 WeakPolarHBondContact O-CB 3.44Å; I327-D330 PolarHBondContact O-N 3.21Å; I327-D330 VanDerWaalsContact O-N 3.09Å; V328-D330 PolarHBondContact O-N 2.64Å; V328-D330 VanDerWaalsContact O-N 3.11Å; D330-L332 PolarHBondContact O-N 2.88Å; D330-L332 WeakPolarHBondContact OD1-CA 3.47Å; D330-L332 PolarHBondContact OD1-N 3.3Å; D330-Y333 PolarHBondContact OD1-N 2.98Å; D330-N334 HydrophobicContact CB-CB 3.93Å; D330-N334 WeakPolarHBondContact O-CA 3.23Å; D330-N334 VanDerWaalsContact O-CB 3.3Å; D330-N334 WeakPolarHBondContact O-CB 3.46Å; D330-N334 PolarHBondContact O-N 3.45Å; D330-L414 HydrophobicContact CB-CD1 3.77Å; D330-L414 WeakPolarHBondContact OD2-CD1 3.44Å
331P93.3Very high95.1Very high26 Ų2632.5 Ų32.517%0.16919%0.186CC..THydrogen-bonded Turntrans-69.7-14.6-170.931.4-38.8000112M202 D329 R363 N410M202-P331 HydrophobicContact CE-CG 3.89Å; M202-P331 HydrophobicContact SD-CG 4.19Å; D329-P331 WeakPolarHBondContact O-CD 3.49Å; P331-R363 PolarHBondContact O-NH1 3.5Å; P331-R363 PolarHBondContact O-NH2 3.46Å; P331-N410 VanDerWaalsContact CD-O 3.31Å; P331-N410 WeakPolarHBondContact CD-O 3.23Å; P331-N410 VanDerWaalsContact CG-O 3.29Å; P331-N410 WeakPolarHBondContact CG-O 3.32Å
332L94.3Very high95Very high19 Ų1935.3 Ų35.310%0.09920%0.198CC..THydrogen-bonded Turntrans-104.2-47.6-177.7-177.357.3000113.2V273 D330 S335 W338 L359 R363V273-L332 HydrophobicContact CG2-CD1 3.96Å; V273-L332 HydrophobicContact CG2-CD2 4.43Å; D330-L332 PolarHBondContact O-N 2.88Å; D330-L332 WeakPolarHBondContact OD1-CA 3.47Å; D330-L332 PolarHBondContact OD1-N 3.3Å; L332-S335 PolarHBondContact O-OG 3.12Å; L332-W338 PolarHBondContact O-NE1 3.31Å; L332-L359 HydrophobicContact CD1-CD2 3.96Å; L332-R363 VanDerWaalsContact CD1-CZ 3.49Å
333Y96.4Very high94.9Very high0 Ų034.3 Ų34.30%019%0.194CC..THydrogen-bonded Turntrans-102.5-11.3-171.6-65.7-71.1000113.6H274 H314 R317 I318 Q321 D330 W338H274-Y333 PolarHBondContact N-OH 3.11Å; H274-Y333 WeakPolarHBondContact O-CE1 3.41Å; H274-Y333 PolarHBondContact O-OH 2.58Å; H314-Y333 HydrophobicContact CB-CE2 3.78Å; H314-Y333 AromaticContact CG-CE2 3.79Å; H314-Y333 AromaticContact ND1-CE2 3.41Å; H314-Y333 WeakPolarHBondContact ND1-CE2 3.29Å; H314-Y333 AromaticContact ND1-CZ 3.57Å; H314-Y333 PolarHBondContact ND1-OH 2.95Å; R317-Y333 HydrophobicContact CB-CD2 3.61Å; R317-Y333 HydrophobicContact CB-CE2 4Å; R317-Y333 HydrophobicContact CB-CG 4.28Å; R317-Y333 HydrophobicContact CG-CD2 4.45Å; I318-Y333 HydrophobicContact CD1-CE1 4.44Å; I318-Y333 HydrophobicContact CG1-CD1 4.3Å; I318-Y333 HydrophobicContact CG1-CE1 3.67Å; I318-Y333 HydrophobicContact CG1-CE2 4.38Å; Q321-Y333 PolarHBondContact NE2-O 2.81Å; Q321-Y333 VanDerWaalsContact OE1-CD1 3.28Å; D330-Y333 PolarHBondContact OD1-N 2.98Å; Y333-W338 AromaticContact CD1-CZ2 3.81Å; Y333-W338 HydrophobicContact CD1-CZ2 3.81Å; Y333-W338 HydrophobicContact CE1-CH2 4.26Å; Y333-W338 AromaticContact CE1-CZ2 3.72Å; Y333-W338 HydrophobicContact CE1-CZ2 3.72Å
334N96.2Very high94.8Very high25 Ų2537.2 Ų37.213%0.13421%0.207CC..SBendtrans-107.758.3172.4-165.6-1.1000110.6E237 P326 I327 D330 K342E237-N334 PolarHBondContact OE1-ND2 2.8Å; E237-N334 PolarHBondContact OE1-OD1 3.12Å; P326-N334 HydrophobicContact CB-CB 3.88Å; P326-N334 HydrophobicContact CG-CB 4.19Å; I327-N334 WeakPolarHBondContact O-CB 3.46Å; I327-N334 PolarHBondContact O-ND2 2.77Å; I327-N334 VanDerWaalsContact O-ND2 3.15Å; D330-N334 HydrophobicContact CB-CB 3.93Å; D330-N334 WeakPolarHBondContact O-CA 3.23Å; D330-N334 VanDerWaalsContact O-CB 3.3Å; D330-N334 WeakPolarHBondContact O-CB 3.46Å; D330-N334 PolarHBondContact O-N 3.45Å; N334-K342 WeakPolarHBondContact OD1-CD 3.33Å; N334-K342 WeakPolarHBondContact OD1-CE 3.41Å; N334-K342 PolarHBondContact OD1-NZ 3.49Å
335S93.4Very high94.7Very high19 Ų1937.3 Ų37.313%0.13321%0.208CC..SBendtrans-133.5145.1-178.565.80000111.9L332 D337 W338L332-S335 PolarHBondContact O-OG 3.12Å; S335-D337 PolarHBondContact O-N 3.35Å; S335-W338 PolarHBondContact O-N 3.17Å
336A93Very high94.5Very high77 Ų7737.1 Ų37.164%0.63621%0.213SC*.G310 helixtrans-62.8-11.6174.200000113.8W338 G339A336-W338 PolarHBondContact O-N 3.48Å; A336-W338 VanDerWaalsContact O-N 3.15Å; A336-G339 PolarHBondContact O-N 3.04Å
337D94.4Very high94.2Very high30 Ų3041.3 Ų41.316%0.1624%0.235CC..G310 helixtrans-56.4-25.9171.8-64.7-27.7000112.5S335 G339 R358 L359 S362 R363S335-D337 PolarHBondContact O-N 3.35Å; D337-G339 VanDerWaalsContact C-N 3.26Å; D337-G339 PolarHBondContact O-N 3.48Å; D337-R358 HydrophobicContact CB-CB 4.03Å; D337-L359 HydrophobicContact CB-CD2 3.68Å; D337-L359 HydrophobicContact CB-CG 3.95Å; D337-L359 WeakPolarHBondContact OD2-CD2 3.49Å; D337-S362 VanDerWaalsContact OD2-CB 3.28Å; D337-S362 WeakPolarHBondContact OD2-CB 3.46Å; D337-S362 PolarHBondContact OD2-OG 3.24Å; D337-R363 IonicContact OD2-NH2 3.44Å
338W95.1Very high93.9Very high1 Ų142.3 Ų42.30%0.00424%0.239CC..G310 helixtrans-84.37.9176.3-65.299.1000114.1I267 V273 Q321 L332 Y333 S335 A336 Y348 V355 L359I267-W338 HydrophobicContact CD1-CH2 4.03Å; I267-W338 HydrophobicContact CD1-CZ3 4.04Å; V273-W338 HydrophobicContact CG1-CH2 3.71Å; V273-W338 HydrophobicContact CG1-CZ2 3.75Å; Q321-W338 VanDerWaalsContact NE2-CD1 3.29Å; Q321-W338 VanDerWaalsContact NE2-CG 3.31Å; L332-W338 PolarHBondContact O-NE1 3.31Å; Y333-W338 AromaticContact CD1-CZ2 3.81Å; Y333-W338 HydrophobicContact CD1-CZ2 3.81Å; Y333-W338 HydrophobicContact CE1-CH2 4.26Å; Y333-W338 AromaticContact CE1-CZ2 3.72Å; Y333-W338 HydrophobicContact CE1-CZ2 3.72Å; S335-W338 PolarHBondContact O-N 3.17Å; A336-W338 PolarHBondContact O-N 3.48Å; A336-W338 VanDerWaalsContact O-N 3.15Å; W338-Y348 HydrophobicContact CB-CD1 4.44Å; W338-Y348 HydrophobicContact CD2-CE1 4.5Å; W338-Y348 AromaticContact CE3-CD1 3.74Å; W338-Y348 HydrophobicContact CE3-CD1 3.74Å; W338-Y348 AromaticContact CE3-CE1 3.41Å; W338-Y348 HydrophobicContact CE3-CE1 3.41Å; W338-Y348 VanDerWaalsContact CE3-CE1 3.41Å; W338-Y348 HydrophobicContact CZ3-CD1 4.48Å; W338-Y348 AromaticContact CZ3-CE1 3.83Å; W338-Y348 HydrophobicContact CZ3-CE1 3.83Å; W338-Y348 AromaticContact CZ3-CZ 3.97Å; W338-Y348 WeakPolarHBondContact O-CA 3.27Å; W338-V355 HydrophobicContact CD2-CG1 3.95Å; W338-V355 HydrophobicContact CE3-CG1 3.58Å; W338-V355 HydrophobicContact CH2-CG1 4.39Å; W338-V355 HydrophobicContact CZ3-CG1 3.83Å; W338-L359 HydrophobicContact CZ2-CD1 4.04Å
339G93.4Very high93.5Very high9 Ų945 Ų459%0.09327%0.269CS..THydrogen-bonded Turntrans91.1-179-174.900000113.5A336 D337 L341 K342 Y348A336-G339 PolarHBondContact O-N 3.04Å; D337-G339 VanDerWaalsContact C-N 3.26Å; D337-G339 PolarHBondContact O-N 3.48Å; G339-L341 VanDerWaalsContact C-N 3.34Å; G339-L341 PolarHBondContact O-N 2.93Å; G339-K342 PolarHBondContact O-N 2.89Å; G339-Y348 WeakPolarHBondContact CA-O 3.37Å
340E92.5Very high93.3Very high191 Ų19143.4 Ų43.489%0.89326%0.26SS*.THydrogen-bonded Turntrans-59.8-41.4-173.4-174177.8-178.700112.7K342E340-K342 PolarHBondContact O-N 2.77Å
341L92.3Very high93Very high91 Ų9147.3 Ų47.348%0.47628%0.284SS..THydrogen-bonded Turntrans-82.79.6179-59.4-178.5000113.6G339 G343 K344G339-L341 VanDerWaalsContact C-N 3.34Å; G339-L341 PolarHBondContact O-N 2.93Å; L341-G343 PolarHBondContact O-N 2.76Å; L341-K344 HydrophobicContact CB-CB 4.16Å; L341-K344 WeakPolarHBondContact O-CB 3.48Å; L341-K344 PolarHBondContact O-N 3.36Å
342K93.7Very high92.9Very high63 Ų6349 Ų4927%0.27429%0.291SS..THydrogen-bonded Turntrans48.427.5-177.2-56.7-178.4-179.4-178.80114E237 Q321 P326 N334 G339 E340E237-K342 IonicContact OE1-NZ 3.85Å; E237-K342 PolarHBondContact OE1-NZ 3.36Å; E237-K342 VanDerWaalsContact OE1-NZ 3.12Å; E237-K342 IonicContact OE2-NZ 3.68Å; E237-K342 PolarHBondContact OE2-NZ 3.27Å; Q321-K342 VanDerWaalsContact CD-O 3.32Å; Q321-K342 WeakPolarHBondContact CG-O 3.48Å; Q321-K342 PolarHBondContact NE2-O 3.18Å; P326-K342 HydrophobicContact CG-CD 4.31Å; N334-K342 WeakPolarHBondContact OD1-CD 3.33Å; N334-K342 WeakPolarHBondContact OD1-CE 3.41Å; N334-K342 PolarHBondContact OD1-NZ 3.49Å; G339-K342 PolarHBondContact O-N 2.89Å; E340-K342 PolarHBondContact O-N 2.77Å
343G93.1Very high92.8Very high1 Ų154.4 Ų54.41%0.0132%0.316CS..THydrogen-bonded Turntrans90.19.7-17900000117L341 G345 A346L341-G343 PolarHBondContact O-N 2.76Å; G343-G345 PolarHBondContact O-N 2.86Å; G343-A346 WeakPolarHBondContact O-CA 3.36Å; G343-A346 PolarHBondContact O-N 3.24Å
344K93.7Very high92.6Very high64 Ų6458 Ų5828%0.27833%0.333SS..G310 helixtrans-52.6131.4171.7-174.9179.7176.8-173.80110.4D246 L341 A346 N347D246-K344 IonicContact OD2-NZ 3.72Å; D246-K344 PolarHBondContact OD2-NZ 2.63Å; D246-K344 VanDerWaalsContact OD2-NZ 3.09Å; L341-K344 HydrophobicContact CB-CB 4.16Å; L341-K344 WeakPolarHBondContact O-CB 3.48Å; L341-K344 PolarHBondContact O-N 3.36Å; K344-A346 PolarHBondContact O-N 3.37Å; K344-N347 WeakPolarHBondContact O-CB 3.39Å; K344-N347 PolarHBondContact O-N 3.14Å
345G92Very high92.5Very high28 Ų2856.9 Ų56.929%0.28933%0.327SS..G310 helixtrans65.114.7-178.100000114.7Y322 G343 N347Y322-G345 VanDerWaalsContact CD2-C 3.48Å; Y322-G345 VanDerWaalsContact CE2-CA 3.47Å; Y322-G345 WeakPolarHBondContact CE2-O 3.38Å; Y322-G345 PolarHBondContact O-N 3.29Å; G343-G345 PolarHBondContact O-N 2.86Å; G345-N347 PolarHBondContact O-N 2.8Å
346A92Very high92.4Very high30 Ų3058 Ų5825%0.24833%0.331CS..G310 helixtrans56.923.5-165.600000112.9V276 Y322 G343 K344V276-A346 HydrophobicContact CB-CB 4.07Å; V276-A346 HydrophobicContact CG1-CB 4.34Å; Y322-A346 HydrophobicContact CD2-CB 3.95Å; Y322-A346 VanDerWaalsContact CD2-N 3.3Å; Y322-A346 HydrophobicContact CE2-CB 3.99Å; G343-A346 WeakPolarHBondContact O-CA 3.36Å; G343-A346 PolarHBondContact O-N 3.24Å; K344-A346 PolarHBondContact O-N 3.37Å
347N91.5Very high92.3Very high92 Ų9259 Ų5949%0.49232%0.322SS..  trans-92.3107.1174-176.12.9000109.3K344 G345 G349K344-N347 WeakPolarHBondContact O-CB 3.39Å; K344-N347 PolarHBondContact O-N 3.14Å; G345-N347 PolarHBondContact O-N 2.8Å; N347-G349 PolarHBondContact OD1-N 2.96Å
348Y91.1Very high92.3Very high22 Ų2261.7 Ų61.79%0.08633%0.33CS..  trans-96.8-14.5-178.7-47.3-55.7000112.9W338 G339 I350 I352 V355W338-Y348 HydrophobicContact CB-CD1 4.44Å; W338-Y348 HydrophobicContact CD2-CE1 4.5Å; W338-Y348 AromaticContact CE3-CD1 3.74Å; W338-Y348 HydrophobicContact CE3-CD1 3.74Å; W338-Y348 AromaticContact CE3-CE1 3.41Å; W338-Y348 HydrophobicContact CE3-CE1 3.41Å; W338-Y348 VanDerWaalsContact CE3-CE1 3.41Å; W338-Y348 HydrophobicContact CZ3-CD1 4.48Å; W338-Y348 AromaticContact CZ3-CE1 3.83Å; W338-Y348 HydrophobicContact CZ3-CE1 3.83Å; W338-Y348 AromaticContact CZ3-CZ 3.97Å; W338-Y348 WeakPolarHBondContact O-CA 3.27Å; G339-Y348 WeakPolarHBondContact CA-O 3.37Å; Y348-I350 WeakPolarHBondContact O-CG1 3.43Å; Y348-I350 PolarHBondContact O-N 3.35Å; Y348-I352 HydrophobicContact CD2-CG1 4.41Å; Y348-I352 HydrophobicContact CE2-CG1 4.23Å; Y348-V355 HydrophobicContact CG-CG2 4.2Å
349G89.5Confident92.1Very high69 Ų6961.7 Ų61.771%0.71133%0.33SS*.SBendtrans65.4-1.8-170.900000115.3N347N347-G349 PolarHBondContact OD1-N 2.96Å
350I90.4Very high91.9Very high53 Ų5363.9 Ų63.927%0.27234%0.344SS..SBendtrans-141.9167.5179.951.4165000110Y348 E354 V355Y348-I350 WeakPolarHBondContact O-CG1 3.43Å; Y348-I350 PolarHBondContact O-N 3.35Å; I350-E354 HydrophobicContact CB-CB 4.3Å; I350-E354 HydrophobicContact CB-CG 4.1Å; I350-E354 HydrophobicContact CD1-CB 4.19Å; I350-E354 HydrophobicContact CD1-CG 3.73Å; I350-E354 HydrophobicContact CG1-CG 4.47Å; I350-E354 HydrophobicContact CG2-CG 4.39Å; I350-V355 HydrophobicContact CD1-CB 4.44Å; I350-V355 HydrophobicContact CD1-CG2 3.51Å; I350-V355 HydrophobicContact CG1-CG2 3.76Å
351T92.3Very high91.7Very high84 Ų8459.2 Ų59.252%0.51533%0.325SS..  trans-69.615617765.70000111.6E353 E354 V355T351-E353 PolarHBondContact O-N 3.28Å; T351-E354 WeakPolarHBondContact O-CB 3.34Å; T351-E354 PolarHBondContact O-N 3.16Å; T351-E354 WeakPolarHBondContact OG1-CB 3.42Å; T351-E354 PolarHBondContact OG1-N 2.96Å; T351-V355 WeakPolarHBondContact O-CG2 3.45Å; T351-V355 PolarHBondContact O-N 3.48Å
352I90.6Very high91.3Very high60 Ų6056.4 Ų56.431%0.30831%0.314SS..Hα-helixtrans-61.9-36.5177.1-69.2175000110.7I267 Y348 E354 V355 I356I267-I352 HydrophobicContact CG2-CG2 3.41Å; I267-I352 VanDerWaalsContact CG2-CG2 3.41Å; Y348-I352 HydrophobicContact CD2-CG1 4.41Å; Y348-I352 HydrophobicContact CE2-CG1 4.23Å; I352-E354 VanDerWaalsContact C-N 3.32Å; I352-E354 PolarHBondContact O-N 2.89Å; I352-V355 WeakPolarHBondContact O-CB 3.41Å; I352-V355 PolarHBondContact O-N 3Å; I352-I356 HydrophobicContact CG2-CD1 4.03Å; I352-I356 HydrophobicContact CG2-CG1 4.48Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.44Å; I352-I356 PolarHBondContact O-N 3.36Å
353E91.7Very high90.7Very high134 Ų13457.2 Ų57.263%0.62632%0.315SS*.Hα-helixtrans-60.4-42.1175.9-67.470.9-156.300111.5T351 I356 Q357T351-E353 PolarHBondContact O-N 3.28Å; E353-I356 WeakPolarHBondContact O-CB 3.28Å; E353-I356 PolarHBondContact O-N 3.38Å; E353-Q357 PolarHBondContact O-N 3.47Å
354E93.4Very high90Very high75 Ų7560.1 Ų60.135%0.3533%0.33SS..Hα-helixtrans-67.4-41.2176.617962.3-16700111.3I350 T351 I352 I356 Q357 R358I350-E354 HydrophobicContact CB-CB 4.3Å; I350-E354 HydrophobicContact CB-CG 4.1Å; I350-E354 HydrophobicContact CD1-CB 4.19Å; I350-E354 HydrophobicContact CD1-CG 3.73Å; I350-E354 HydrophobicContact CG1-CG 4.47Å; I350-E354 HydrophobicContact CG2-CG 4.39Å; T351-E354 WeakPolarHBondContact O-CB 3.34Å; T351-E354 PolarHBondContact O-N 3.16Å; T351-E354 WeakPolarHBondContact OG1-CB 3.42Å; T351-E354 PolarHBondContact OG1-N 2.96Å; I352-E354 VanDerWaalsContact C-N 3.32Å; I352-E354 PolarHBondContact O-N 2.89Å; E354-I356 VanDerWaalsContact C-N 3.31Å; E354-I356 PolarHBondContact O-N 3.43Å; E354-Q357 PolarHBondContact O-N 3.48Å; E354-Q357 VanDerWaalsContact O-N 3.17Å; E354-R358 WeakPolarHBondContact O-CG 3.29Å; E354-R358 PolarHBondContact O-N 2.8Å; E354-R358 IonicContact OE1-CZ 3.1Å; E354-R358 IonicContact OE1-NE 3.27Å; E354-R358 PolarHBondContact OE1-NE 3.19Å; E354-R358 IonicContact OE1-NH2 3.51Å; E354-R358 PolarHBondContact OE1-NH2 3.35Å
355V93Very high89.2Confident1 Ų162.5 Ų62.51%0.00634%0.338CS..Hα-helixtrans-57.5-45.9172.5174.20000110.6W338 Y348 I350 T351 I352 Q357 R358 L359W338-V355 HydrophobicContact CD2-CG1 3.95Å; W338-V355 HydrophobicContact CE3-CG1 3.58Å; W338-V355 HydrophobicContact CH2-CG1 4.39Å; W338-V355 HydrophobicContact CZ3-CG1 3.83Å; Y348-V355 HydrophobicContact CG-CG2 4.2Å; I350-V355 HydrophobicContact CD1-CB 4.44Å; I350-V355 HydrophobicContact CD1-CG2 3.51Å; I350-V355 HydrophobicContact CG1-CG2 3.76Å; T351-V355 WeakPolarHBondContact O-CG2 3.45Å; T351-V355 PolarHBondContact O-N 3.48Å; I352-V355 WeakPolarHBondContact O-CB 3.41Å; I352-V355 PolarHBondContact O-N 3Å; V355-Q357 VanDerWaalsContact C-N 3.31Å; V355-Q357 PolarHBondContact O-N 3.42Å; V355-R358 PolarHBondContact O-N 2.86Å; V355-L359 HydrophobicContact CG1-CD1 3.84Å; V355-L359 HydrophobicContact CG1-CG 4.34Å; V355-L359 WeakPolarHBondContact O-CB 3.38Å; V355-L359 VanDerWaalsContact O-CG 3.26Å; V355-L359 WeakPolarHBondContact O-CG 3.41Å; V355-L359 PolarHBondContact O-N 2.89Å
356I91.6Very high88.5Confident44 Ų4467.4 Ų67.423%0.22635%0.353CS..Hα-helixtrans-59.5-43.8177-72.3168.2000110.7I267 M271 I352 E353 E354 L359 S360I267-I356 HydrophobicContact CG2-CD1 3.71Å; I267-I356 HydrophobicContact CG2-CG1 3.82Å; M271-I356 HydrophobicContact CE-CB 4.19Å; M271-I356 HydrophobicContact CE-CG1 4.38Å; M271-I356 HydrophobicContact CE-CG2 3.7Å; M271-I356 WeakPolarHBondContact CE-O 3.3Å; I352-I356 HydrophobicContact CG2-CD1 4.03Å; I352-I356 HydrophobicContact CG2-CG1 4.48Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.44Å; I352-I356 PolarHBondContact O-N 3.36Å; E353-I356 WeakPolarHBondContact O-CB 3.28Å; E353-I356 PolarHBondContact O-N 3.38Å; E354-I356 VanDerWaalsContact C-N 3.31Å; E354-I356 PolarHBondContact O-N 3.43Å; I356-L359 PolarHBondContact O-N 3Å; I356-S360 WeakPolarHBondContact O-CB 3.35Å; I356-S360 PolarHBondContact O-N 3.22Å
357Q91.8Very high87.9Confident96 Ų9671.9 Ų71.945%0.44937%0.367SS..Hα-helixtrans-65.1-43.6179.9-170.659.149.500111.7E353 E354 V355 S360 N361E353-Q357 PolarHBondContact O-N 3.47Å; E354-Q357 PolarHBondContact O-N 3.48Å; E354-Q357 VanDerWaalsContact O-N 3.17Å; V355-Q357 VanDerWaalsContact C-N 3.31Å; V355-Q357 PolarHBondContact O-N 3.42Å; Q357-S360 PolarHBondContact O-N 2.62Å; Q357-N361 PolarHBondContact NE2-OD1 3.39Å; Q357-N361 WeakPolarHBondContact O-CB 3.12Å; Q357-N361 PolarHBondContact O-N 3.33Å; Q357-N361 PolarHBondContact O-ND2 2.77Å; Q357-N361 PolarHBondContact O-OD1 2.85Å
358R93.9Very high87.5Confident87 Ų8771.4 Ų71.433%0.32836%0.359SS..Hα-helixtrans-60.3-48.5175.5-70.7178.2-175.1-160.22111.8D337 E354 V355 S360 N361 S362D337-R358 HydrophobicContact CB-CB 4.03Å; E354-R358 WeakPolarHBondContact O-CG 3.29Å; E354-R358 PolarHBondContact O-N 2.8Å; E354-R358 IonicContact OE1-CZ 3.1Å; E354-R358 IonicContact OE1-NE 3.27Å; E354-R358 PolarHBondContact OE1-NE 3.19Å; E354-R358 IonicContact OE1-NH2 3.51Å; E354-R358 PolarHBondContact OE1-NH2 3.35Å; V355-R358 PolarHBondContact O-N 2.86Å; R358-S360 VanDerWaalsContact C-N 3.29Å; R358-S360 PolarHBondContact O-N 2.81Å; R358-N361 PolarHBondContact O-N 3.2Å; R358-N361 VanDerWaalsContact O-N 3.16Å; R358-S362 WeakPolarHBondContact O-CB 3.36Å; R358-S362 PolarHBondContact O-N 2.99Å; R358-S362 PolarHBondContact O-OG 3.37Å
359L91.3Very high87.1Confident1 Ų172.3 Ų72.31%0.00537%0.365CS..Hα-helixtrans-59.5-38.7176.4-72.4171000112.6M271 V273 L332 D337 W338 V355 I356 S362 R363M271-L359 HydrophobicContact CE-CB 3.95Å; M271-L359 HydrophobicContact CE-CD1 4.48Å; V273-L359 HydrophobicContact CG1-CD1 4.03Å; V273-L359 HydrophobicContact CG2-CD1 4.22Å; L332-L359 HydrophobicContact CD1-CD2 3.96Å; D337-L359 HydrophobicContact CB-CD2 3.68Å; D337-L359 HydrophobicContact CB-CG 3.95Å; D337-L359 WeakPolarHBondContact OD2-CD2 3.49Å; W338-L359 HydrophobicContact CZ2-CD1 4.04Å; V355-L359 HydrophobicContact CG1-CD1 3.84Å; V355-L359 HydrophobicContact CG1-CG 4.34Å; V355-L359 WeakPolarHBondContact O-CB 3.38Å; V355-L359 VanDerWaalsContact O-CG 3.26Å; V355-L359 WeakPolarHBondContact O-CG 3.41Å; V355-L359 PolarHBondContact O-N 2.89Å; I356-L359 PolarHBondContact O-N 3Å; L359-S362 PolarHBondContact O-OG 3.22Å; L359-R363 WeakPolarHBondContact O-CD 3.24Å; L359-R363 WeakPolarHBondContact O-CG 3.27Å; L359-R363 PolarHBondContact O-N 3.46Å
360S88.2Confident86.6Confident55 Ų5572.9 Ų72.939%0.38535%0.35SS..Hα-helixtrans-66.3-42.7176.3-173.70000111.5I356 Q357 R358 N364I356-S360 WeakPolarHBondContact O-CB 3.35Å; I356-S360 PolarHBondContact O-N 3.22Å; Q357-S360 PolarHBondContact O-N 2.62Å; R358-S360 VanDerWaalsContact C-N 3.29Å; R358-S360 PolarHBondContact O-N 2.81Å; S360-N364 PolarHBondContact O-N 3.14Å
361N88.4Confident85.6Confident93 Ų9378.8 Ų78.850%0.49738%0.377SS..Hα-helixtrans-71.5-38.9-179.8-68.3-11.4000112Q357 R358 R363 K367Q357-N361 PolarHBondContact NE2-OD1 3.39Å; Q357-N361 WeakPolarHBondContact O-CB 3.12Å; Q357-N361 PolarHBondContact O-N 3.33Å; Q357-N361 PolarHBondContact O-ND2 2.77Å; Q357-N361 PolarHBondContact O-OD1 2.85Å; R358-N361 PolarHBondContact O-N 3.2Å; R358-N361 VanDerWaalsContact O-N 3.16Å; N361-R363 VanDerWaalsContact C-N 3.25Å; N361-R363 PolarHBondContact O-N 2.95Å; N361-K367 PolarHBondContact O-NZ 2.64Å
362S84.9Confident84Confident33 Ų3382.2 Ų82.223%0.23139%0.387CS..Hα-helixtrans-64.6-33.4-179.366.40000111.6D337 R358 L359 K367D337-S362 VanDerWaalsContact OD2-CB 3.28Å; D337-S362 WeakPolarHBondContact OD2-CB 3.46Å; D337-S362 PolarHBondContact OD2-OG 3.24Å; R358-S362 WeakPolarHBondContact O-CB 3.36Å; R358-S362 PolarHBondContact O-N 2.99Å; R358-S362 PolarHBondContact O-OG 3.37Å; L359-S362 PolarHBondContact O-OG 3.22Å; S362-K367 PolarHBondContact O-NZ 2.81Å
363R80.5Confident82.4Confident80 Ų8085.3 Ų85.330%0.30241%0.409SS..THydrogen-bonded Turntrans-106.223.3-175.7-58163.4-150.5-88.1-15.8114P331 L332 D337 L359 N361 R365P331-R363 PolarHBondContact O-NH1 3.5Å; P331-R363 PolarHBondContact O-NH2 3.46Å; L332-R363 VanDerWaalsContact CD1-CZ 3.49Å; D337-R363 IonicContact OD2-NH2 3.44Å; L359-R363 WeakPolarHBondContact O-CD 3.24Å; L359-R363 WeakPolarHBondContact O-CG 3.27Å; L359-R363 PolarHBondContact O-N 3.46Å; N361-R363 VanDerWaalsContact C-N 3.25Å; N361-R363 PolarHBondContact O-N 2.95Å; R363-R365 PolarHBondContact O-N 2.68Å
364N78.4Confident80.2Confident62 Ų6286.3 Ų86.333%0.33242%0.418SS..  trans-60.8132.7178.3-175.9-4.8000110.9S360 E366 K367S360-N364 PolarHBondContact O-N 3.14Å; N364-E366 PolarHBondContact ND2-OE2 3.24Å; N364-E366 PolarHBondContact O-N 2.81Å; N364-E366 PolarHBondContact OD1-N 2.91Å; N364-K367 PolarHBondContact O-N 3Å
365R75.8Confident77.9Confident114 Ų11490.5 Ų90.543%0.4344%0.438SS..G310 helixtrans-52.1-35.9178.3-173.1-179.1-174.2-169.33.7113R363 K367 Y368 D399 F404R363-R365 PolarHBondContact O-N 2.68Å; R365-K367 PolarHBondContact O-N 2.88Å; R365-Y368 PolarHBondContact O-N 2.92Å; R365-Y368 VanDerWaalsContact O-N 3.11Å; R365-D399 IonicContact CZ-OD1 3.46Å; R365-D399 IonicContact NH1-OD1 2.82Å; R365-D399 PolarHBondContact NH1-OD1 3.4Å; R365-D399 IonicContact NH2-OD1 2.73Å; R365-D399 PolarHBondContact NH2-OD1 2.92Å; R365-D399 IonicContact NH2-OD2 3.5Å; R365-D399 PolarHBondContact NH2-OD2 2.74Å; R365-F404 HydrophobicContact CG-CE1 4.25Å; R365-F404 VanDerWaalsContact NH2-CZ 3.29Å
366E78.8Confident75.7Confident131 Ų13199.4 Ų99.461%0.61248%0.477SS*.G310 helixtrans-59.3-30-177.2-69.4165.617300113.1N364 Y368 I369N364-E366 PolarHBondContact ND2-OE2 3.24Å; N364-E366 PolarHBondContact O-N 2.81Å; N364-E366 PolarHBondContact OD1-N 2.91Å; E366-Y368 PolarHBondContact O-N 3.19Å; E366-I369 PolarHBondContact O-N 2.84Å
367K79.3Confident73.7Confident124 Ų124104 Ų10454%0.53950%0.501SS..G310 helixtrans-64.7-21.2178.7-66.3-174.5179.2179.40113.8N361 S362 N364 R365N361-K367 PolarHBondContact O-NZ 2.64Å; S362-K367 PolarHBondContact O-NZ 2.81Å; N364-K367 PolarHBondContact O-N 3Å; R365-K367 PolarHBondContact O-N 2.88Å
368Y81.8Confident71.8Confident82 Ų82109 Ų10932%0.32252%0.521SS..G310 helixtrans-93.8-5-178.5-59-81.7000112.7R365 E366 F404 K405R365-Y368 PolarHBondContact O-N 2.92Å; R365-Y368 VanDerWaalsContact O-N 3.11Å; E366-Y368 PolarHBondContact O-N 3.19Å; Y368-F404 CarbonylContact O-C 3.53Å; Y368-F404 VanDerWaalsContact O-CA 3.31Å; Y368-F404 WeakPolarHBondContact O-CA 3.47Å; Y368-K405 PolarHBondContact O-N 3.18Å
369I82.6Confident70.2Confident41 Ų41107.1 Ų107.121%0.2152%0.522CS..BIsolated β-bridgetrans-81.1130.9178.3-59.1174.7000109.2E366 L402 F404E366-I369 PolarHBondContact O-N 2.84Å; I369-L402 HydrophobicContact CD1-CD1 4.17Å; I369-L402 HydrophobicContact CG2-CD2 4.28Å; I369-F404 HydrophobicContact CD1-CE1 4.42Å; I369-F404 HydrophobicContact CG1-CD1 4.13Å; I369-F404 HydrophobicContact CG1-CE1 3.71Å; I369-F404 HydrophobicContact CG1-CZ 4.48Å
370I80.1Confident69.5Low80 Ų80112.3 Ų112.341%0.4156%0.558SS.*  trans-81.8117.1170.8-55.8-179.9000107.6T403 K405I370-T403 HydrophobicContact CD1-CG2 3.9Å; I370-T403 PolarHBondContact N-O 2.88Å; I370-K405 HydrophobicContact CD1-CG 4.2Å; I370-K405 HydrophobicContact CG1-CG 3.74Å
371Q69.3Low69.3Low178 Ų178111.1 Ų111.183%0.83255%0.547SS*.  trans-83.4-20.7-171.6-72.5-176.5-1300114.7
372E58.5Low69.4Low156 Ų156110.6 Ų110.673%0.72954%0.544SS*.  trans-143.7141.9179.4-77.6-171.5158.700115.1N374E372-N374 PolarHBondContact O-N 2.8Å
373T56.9Low69.7Low125 Ų125113.9 Ų113.977%0.76757%0.565SS**  trans-84.512.9-166.89.40000116.6E375 K376T373-E375 CarbonylContact O-C 3.58Å; T373-K376 PolarHBondContact O-N 2.81Å
374N44.9Very low70.3Confident154 Ų154115.4 Ų115.482%0.82458%0.579SS**SBendtrans-82.3-15.9-170.2-80.5-21.6000115.6E372E372-N374 PolarHBondContact O-N 2.8Å
375E46.5Very low71.1Confident163 Ų163113.6 Ų113.676%0.76257%0.57SS**SBendtrans-9296.1150.5-69.8-179.7179.100105.5T373 L377T373-E375 CarbonylContact O-C 3.58Å; E375-L377 PolarHBondContact O-N 3.4Å
376K46.5Very low71.8Confident189 Ų189111.7 Ų111.782%0.82257%0.568SS**  trans-52.690.2139.3-78.2179.8179.1176.50103.5T373 K378T373-K376 PolarHBondContact O-N 2.81Å; K376-K378 PolarHBondContact O-N 3.18Å
377L50.2Low72.5Confident141 Ų141110.9 Ų110.974%0.73856%0.564SS**  trans-47.6105.4161.7-156.487.5000100.8E375 S379E375-L377 PolarHBondContact O-N 3.4Å; L377-S379 PolarHBondContact O-N 3.37Å
378K51.3Low73.2Confident199 Ų199109.5 Ų109.587%0.86556%0.556SS**  trans-6393.3177.6-84.9-178.4177.61770102.1K376 S380K376-K378 PolarHBondContact O-N 3.18Å; K378-S380 PolarHBondContact O-N 2.97Å
379S60.7Low73.8Confident49 Ų49107.1 Ų107.134%0.34355%0.549SS..  trans-59.3109.4-175.8151.50000104.2L377 L381L377-S379 PolarHBondContact O-N 3.37Å; S379-L381 PolarHBondContact O-N 3.39Å; S379-L381 VanDerWaalsContact O-N 3.14Å; S379-L381 WeakPolarHBondContact OG-CB 3.35Å; S379-L381 WeakPolarHBondContact OG-CD1 3.38Å; S379-L381 VanDerWaalsContact OG-CG 3.23Å; S379-L381 WeakPolarHBondContact OG-CG 3.23Å; S379-L381 PolarHBondContact OG-N 2.82Å
380S75.3Confident74.2Confident110 Ų110110.9 Ų110.977%0.76957%0.565SS**  trans-68.71.517249.10000111.5K378K378-S380 PolarHBondContact O-N 2.97Å
381L85.7Confident74.8Confident30 Ų30113.6 Ų113.616%0.15758%0.58CS.*SBendtrans-59.5146.4173.7-58.3173.7000111.2Y61 D63 S379 V385 L389Y61-L381 HydrophobicContact CD2-CD2 4.36Å; Y61-L381 HydrophobicContact CE2-CD1 4.44Å; Y61-L381 HydrophobicContact CE2-CD2 4.33Å; D63-L381 HydrophobicContact CB-CD2 3.65Å; D63-L381 VanDerWaalsContact CG-CD2 3.47Å; S379-L381 PolarHBondContact O-N 3.39Å; S379-L381 VanDerWaalsContact O-N 3.14Å; S379-L381 WeakPolarHBondContact OG-CB 3.35Å; S379-L381 WeakPolarHBondContact OG-CD1 3.38Å; S379-L381 VanDerWaalsContact OG-CG 3.23Å; S379-L381 WeakPolarHBondContact OG-CG 3.23Å; S379-L381 PolarHBondContact OG-N 2.82Å; L381-V385 HydrophobicContact CB-CG1 4.41Å; L381-V385 HydrophobicContact CD1-CG1 4.35Å; L381-L389 HydrophobicContact CD1-CD1 3.99Å
382D89.8Confident76Confident81 Ų81106.5 Ų106.543%0.43355%0.55SS..  trans-51.7134.2169.3-173.9-47.3000110.7N384 V385 L386D382-N384 PolarHBondContact O-N 2.99Å; D382-N384 VanDerWaalsContact OD1-CB 3.27Å; D382-N384 WeakPolarHBondContact OD1-CB 3.37Å; D382-N384 PolarHBondContact OD1-N 3.27Å; D382-N384 PolarHBondContact OD1-ND2 2.96Å; D382-V385 HydrophobicContact CB-CB 4.22Å; D382-V385 HydrophobicContact CB-CG2 3.91Å; D382-V385 WeakPolarHBondContact O-CA 3.45Å; D382-V385 WeakPolarHBondContact O-CB 3.44Å; D382-V385 PolarHBondContact O-N 2.96Å; D382-L386 PolarHBondContact O-N 2.87Å
383P91.7Very high77.5Confident103 Ų103105.4 Ų105.467%0.66954%0.542SS*.Hα-helixtrans-50.9-36.9175.1-28.735.9000114.5V385 L386 E387P383-V385 VanDerWaalsContact C-N 3.34Å; P383-L386 WeakPolarHBondContact O-CB 3.49Å; P383-L386 PolarHBondContact O-N 3.29Å; P383-E387 WeakPolarHBondContact O-CB 3.25Å; P383-E387 PolarHBondContact O-N 2.77Å
384N93Very high79.1Confident111 Ų111100.9 Ų100.959%0.59451%0.514SS*.Hα-helixtrans-66.7-37.1177.2-60.9-58.4000111.6D382 R388D382-N384 PolarHBondContact O-N 2.99Å; D382-N384 VanDerWaalsContact OD1-CB 3.27Å; D382-N384 WeakPolarHBondContact OD1-CB 3.37Å; D382-N384 PolarHBondContact OD1-N 3.27Å; D382-N384 PolarHBondContact OD1-ND2 2.96Å; N384-R388 WeakPolarHBondContact O-CB 3.41Å; N384-R388 PolarHBondContact O-N 3.37Å
385V93.9Very high81.1Confident25 Ų2598.6 Ų98.615%0.15251%0.507CS..Hα-helixtrans-66.5-42.8174.4172.40000109.5Y61 F70 L381 D382 P383 R388 L389Y61-V385 HydrophobicContact CD2-CG1 3.54Å; Y61-V385 HydrophobicContact CE2-CG1 4.06Å; Y61-V385 HydrophobicContact CG-CG1 3.81Å; F70-V385 HydrophobicContact CE1-CG1 4Å; F70-V385 HydrophobicContact CZ-CB 4.43Å; F70-V385 HydrophobicContact CZ-CG1 3.99Å; F70-V385 HydrophobicContact CZ-CG2 4.33Å; L381-V385 HydrophobicContact CB-CG1 4.41Å; L381-V385 HydrophobicContact CD1-CG1 4.35Å; D382-V385 HydrophobicContact CB-CB 4.22Å; D382-V385 HydrophobicContact CB-CG2 3.91Å; D382-V385 WeakPolarHBondContact O-CA 3.45Å; D382-V385 WeakPolarHBondContact O-CB 3.44Å; D382-V385 PolarHBondContact O-N 2.96Å; P383-V385 VanDerWaalsContact C-N 3.34Å; V385-R388 PolarHBondContact O-N 2.83Å; V385-L389 HydrophobicContact CG1-CD1 4.04Å; V385-L389 HydrophobicContact CG1-CG 4.46Å; V385-L389 WeakPolarHBondContact O-CB 3.32Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.44Å; V385-L389 PolarHBondContact O-N 3.21Å
386L91.5Very high82.9Confident74 Ų7496.8 Ų96.839%0.38750%0.502SS..Hα-helixtrans-62.9-45.2178.1-176.262.8000112.2D382 P383 L389 Q390D382-L386 PolarHBondContact O-N 2.87Å; P383-L386 WeakPolarHBondContact O-CB 3.49Å; P383-L386 PolarHBondContact O-N 3.29Å; L386-L389 PolarHBondContact O-N 2.91Å; L386-Q390 WeakPolarHBondContact O-CG 3.42Å; L386-Q390 PolarHBondContact O-N 3.14Å; L386-Q390 VanDerWaalsContact O-N 3.1Å
387E93.7Very high84.9Confident113 Ų11388.1 Ų88.153%0.52847%0.465SS..Hα-helixtrans-59.8-48.2175.9-177.1177.1-169.200111.1P383 L389 Q390 L391P383-E387 WeakPolarHBondContact O-CB 3.25Å; P383-E387 PolarHBondContact O-N 2.77Å; E387-L389 VanDerWaalsContact C-N 3.34Å; E387-L389 PolarHBondContact O-N 2.88Å; E387-Q390 WeakPolarHBondContact O-CB 3.48Å; E387-Q390 PolarHBondContact O-N 2.77Å; E387-Q390 VanDerWaalsContact O-N 3.1Å; E387-L391 HydrophobicContact CG-CD1 4.48Å; E387-L391 WeakPolarHBondContact O-CG 3.19Å; E387-L391 PolarHBondContact O-N 2.9Å
388R94.4Very high86.5Confident95 Ų9585.5 Ų85.536%0.35846%0.456SS..Hα-helixtrans-62.6-39.1177.9-174.3172.4176.4176.12112.6D59 F70 N384 V385 Q390 L391 C392D59-R388 IonicContact OD2-CZ 2.89Å; D59-R388 IonicContact OD2-NH1 2.74Å; D59-R388 PolarHBondContact OD2-NH1 2.77Å; D59-R388 IonicContact OD2-NH2 3.73Å; D59-R388 PolarHBondContact OD2-NH2 2.91Å; F70-R388 HydrophobicContact CD1-CB 4.25Å; F70-R388 HydrophobicContact CD1-CG 3.78Å; F70-R388 HydrophobicContact CE1-CB 3.73Å; F70-R388 HydrophobicContact CE1-CG 3.69Å; F70-R388 HydrophobicContact CG-CG 4.32Å; F70-R388 HydrophobicContact CZ-CB 4.25Å; F70-R388 HydrophobicContact CZ-CG 4.15Å; N384-R388 WeakPolarHBondContact O-CB 3.41Å; N384-R388 PolarHBondContact O-N 3.37Å; V385-R388 PolarHBondContact O-N 2.83Å; R388-Q390 VanDerWaalsContact C-N 3.27Å; R388-Q390 PolarHBondContact O-N 3.22Å; R388-L391 PolarHBondContact O-N 3.3Å; R388-C392 PolarHBondContact O-N 3.25Å; R388-C392 PolarHBondContact O-SG 3.29Å
389L92.6Very high88.2Confident33 Ų3377.5 Ų77.517%0.17342%0.423CS..Hα-helixtrans-61-36.3174.5-78169000112.2Y61 F70 L381 V385 L386 E387 C392Y61-L389 HydrophobicContact CE1-CD2 4.01Å; Y61-L389 HydrophobicContact CE2-CD1 4.38Å; F70-L389 HydrophobicContact CD1-CD2 3.74Å; F70-L389 HydrophobicContact CD1-CG 3.96Å; F70-L389 HydrophobicContact CE1-CD2 4.15Å; F70-L389 HydrophobicContact CE1-CG 3.89Å; L381-L389 HydrophobicContact CD1-CD1 3.99Å; V385-L389 HydrophobicContact CG1-CD1 4.04Å; V385-L389 HydrophobicContact CG1-CG 4.46Å; V385-L389 WeakPolarHBondContact O-CB 3.32Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.44Å; V385-L389 PolarHBondContact O-N 3.21Å; L386-L389 PolarHBondContact O-N 2.91Å; E387-L389 VanDerWaalsContact C-N 3.34Å; E387-L389 PolarHBondContact O-N 2.88Å; L389-C392 PolarHBondContact O-N 3.06Å
390Q91.6Very high89.6Confident120 Ų12076.2 Ų76.256%0.56141%0.414SS*.Hα-helixtrans-67.5-42.2175.1-69174.3-6.800111.5L386 E387 R388 C392 K393L386-Q390 WeakPolarHBondContact O-CG 3.42Å; L386-Q390 PolarHBondContact O-N 3.14Å; L386-Q390 VanDerWaalsContact O-N 3.1Å; E387-Q390 WeakPolarHBondContact O-CB 3.48Å; E387-Q390 PolarHBondContact O-N 2.77Å; E387-Q390 VanDerWaalsContact O-N 3.1Å; R388-Q390 VanDerWaalsContact C-N 3.27Å; R388-Q390 PolarHBondContact O-N 3.22Å; Q390-C392 VanDerWaalsContact C-N 3.28Å; Q390-C392 PolarHBondContact O-N 3.04Å; Q390-K393 WeakPolarHBondContact O-CB 3.47Å; Q390-K393 PolarHBondContact O-N 2.71Å; Q390-K393 VanDerWaalsContact O-N 3.16Å
391L93.5Very high90Very high137 Ų13778.4 Ų78.472%0.71741%0.41SS*.Hα-helixtrans-65.1-30.5176.5-66.9172.9000113E387 R388 K393E387-L391 HydrophobicContact CG-CD1 4.48Å; E387-L391 WeakPolarHBondContact O-CG 3.19Å; E387-L391 PolarHBondContact O-N 2.9Å; R388-L391 PolarHBondContact O-N 3.3Å; L391-K393 PolarHBondContact O-N 2.89Å
392C93.4Very high90Very high29 Ų2980.2 Ų80.220%0.19642%0.419CS..THydrogen-bonded Turntrans-76-3.3175.6-70.80000113.8P71 H138 R388 L389 Q390P71-C392 HydrophobicContact CB-CB 4.28Å; P71-C392 HydrophobicContact CG-CB 4.49Å; H138-C392 PolarHBondContact CE1-O 3.5Å; H138-C392 PolarHBondContact NE2-O 3.24Å; R388-C392 PolarHBondContact O-N 3.25Å; R388-C392 PolarHBondContact O-SG 3.29Å; L389-C392 PolarHBondContact O-N 3.06Å; Q390-C392 VanDerWaalsContact C-N 3.28Å; Q390-C392 PolarHBondContact O-N 3.04Å
393K91Very high89.7Confident133 Ų13380.4 Ų80.458%0.57842%0.423SS*.  trans-71.6134.9179.9-71.1-173.4176.1-173.70111.3Q390 L391Q390-K393 WeakPolarHBondContact O-CB 3.47Å; Q390-K393 PolarHBondContact O-N 2.71Å; Q390-K393 VanDerWaalsContact O-N 3.16Å; L391-K393 PolarHBondContact O-N 2.89Å
394D90.4Very high89.3Confident30 Ų3078.8 Ų78.816%0.1641%0.406CS..  trans-107.6119.1171.3-177-21.5000109.5H73 H138 L396 C397 C400H73-D394 IonicContact CD2-OD2 3.08Å; H73-D394 IonicContact CE1-OD2 3.12Å; H73-D394 IonicContact NE2-OD2 3.32Å; H73-D394 PolarHBondContact NE2-OD2 3.05Å; H138-D394 HydrophobicContact CB-CB 4.29Å; D394-L396 PolarHBondContact O-N 2.74Å; D394-L396 WeakPolarHBondContact OD1-CB 3.31Å; D394-L396 PolarHBondContact OD1-N 3.25Å; D394-C397 HydrophobicContact CB-CB 3.73Å; D394-C397 WeakPolarHBondContact O-CB 3.41Å; D394-C397 PolarHBondContact O-N 2.78Å; D394-C400 PolarHBondContact N-SG 2.82Å; D394-C400 VanDerWaalsContact N-SG 3.43Å
395P87.1Confident89Confident105 Ų10579.3 Ų79.368%0.68240%0.403SS*.THydrogen-bonded Turntrans-58.5-26.9179-25.234.7000114.9K401P395-K401 VanDerWaalsContact O-CE 3.26Å; P395-K401 WeakPolarHBondContact O-CE 3.29Å; P395-K401 PolarHBondContact O-NZ 3.41Å
396L84.8Confident88.8Confident126 Ų12681.3 Ų81.366%0.6641%0.413SS*.THydrogen-bonded Turntrans-86.7-14.3178.9-60.1178000112.3D394 P398D394-L396 PolarHBondContact O-N 2.74Å; D394-L396 WeakPolarHBondContact OD1-CB 3.31Å; D394-L396 PolarHBondContact OD1-N 3.25Å; L396-P398 WeakPolarHBondContact O-CD 3.44Å
397C87.7Confident88.8Confident7 Ų779.2 Ų79.25%0.04740%0.403CS..  trans-77.8120.3179.8179.60000110.8H138 D394 D399 C400H138-C397 HydrophobicContact CB-CB 3.84Å; H138-C397 PolarHBondContact ND1-SG 3.4Å; H138-C397 VanDerWaalsContact ND1-SG 3.41Å; D394-C397 HydrophobicContact CB-CB 3.73Å; D394-C397 WeakPolarHBondContact O-CB 3.41Å; D394-C397 PolarHBondContact O-N 2.78Å; C397-D399 VanDerWaalsContact C-N 3.27Å; C397-D399 PolarHBondContact O-N 3.34Å; C397-D399 PolarHBondContact SG-N 2.92Å; C397-C400 HydrophobicContact CB-CB 3.99Å; C397-C400 PolarHBondContact O-N 3.11Å; C397-C400 PolarHBondContact SG-N 3.21Å
398P84.3Confident88.7Confident85 Ų8579.7 Ų79.755%0.55241%0.406SS*.SBendtrans-63.9-35.6175.825.5-33.2000111.6L396 C400 K401L396-P398 WeakPolarHBondContact O-CD 3.44Å; P398-C400 VanDerWaalsContact C-N 3.32Å; P398-C400 PolarHBondContact O-N 3.18Å; P398-K401 PolarHBondContact O-N 3.19Å
399D86.8Confident88.7Confident32 Ų3280 Ų8017%0.17141%0.412CS..G310 helixtrans-68.5-29-178.5-66.7-2.6000112.4R365 C397 K401 L402 F404R365-D399 IonicContact CZ-OD1 3.46Å; R365-D399 IonicContact NH1-OD1 2.82Å; R365-D399 PolarHBondContact NH1-OD1 3.4Å; R365-D399 IonicContact NH2-OD1 2.73Å; R365-D399 PolarHBondContact NH2-OD1 2.92Å; R365-D399 IonicContact NH2-OD2 3.5Å; R365-D399 PolarHBondContact NH2-OD2 2.74Å; C397-D399 VanDerWaalsContact C-N 3.27Å; C397-D399 PolarHBondContact O-N 3.34Å; C397-D399 PolarHBondContact SG-N 2.92Å; D399-K401 PolarHBondContact O-N 3.19Å; D399-L402 PolarHBondContact O-N 3.46Å; D399-L402 VanDerWaalsContact O-N 3.1Å; D399-F404 HydrophobicContact CB-CE2 4.49Å
400C88.8Confident88.6Confident22 Ų2281 Ų8115%0.14942%0.418CS..G310 helixtrans-66.3-16.6175.3-79.30000114H138 H140 D394 C397 P398H138-C400 PolarHBondContact CE1-SG 3.47Å; H138-C400 PolarHBondContact ND1-SG 2.89Å; H140-C400 VanDerWaalsContact CE1-SG 3.53Å; H140-C400 PolarHBondContact NE2-SG 2.96Å; H140-C400 VanDerWaalsContact NE2-SG 3.4Å; D394-C400 PolarHBondContact N-SG 2.82Å; D394-C400 VanDerWaalsContact N-SG 3.43Å; C397-C400 HydrophobicContact CB-CB 3.99Å; C397-C400 PolarHBondContact O-N 3.11Å; C397-C400 PolarHBondContact SG-N 3.21Å; P398-C400 VanDerWaalsContact C-N 3.32Å; P398-C400 PolarHBondContact O-N 3.18Å
401K85Confident88.7Confident156 Ų15676.9 Ų76.968%0.67840%0.4SS*.G310 helixtrans-93.9-10.1177.7-56.9178-174.3176.30112P395 P398 D399P395-K401 VanDerWaalsContact O-CE 3.26Å; P395-K401 WeakPolarHBondContact O-CE 3.29Å; P395-K401 PolarHBondContact O-NZ 3.41Å; P398-K401 PolarHBondContact O-N 3.19Å; D399-K401 PolarHBondContact O-N 3.19Å
402L85.5Confident88.8Confident68 Ų6870.4 Ų70.436%0.35637%0.366SS..  trans-104.8150.7-177.1-60.2176.3000109.9I369 D399 F404I369-L402 HydrophobicContact CD1-CD1 4.17Å; I369-L402 HydrophobicContact CG2-CD2 4.28Å; D399-L402 PolarHBondContact O-N 3.46Å; D399-L402 VanDerWaalsContact O-N 3.1Å; L402-F404 HydrophobicContact CB-CE2 3.83Å; L402-F404 HydrophobicContact CB-CZ 4Å; L402-F404 HydrophobicContact CD1-CE2 4.38Å; L402-F404 HydrophobicContact CD1-CZ 3.82Å
403T82.8Confident89Confident85 Ų8571.6 Ų71.652%0.52137%0.37SS..  trans-115.4124.9168.3-53.70000107.9I370I370-T403 HydrophobicContact CD1-CG2 3.9Å; I370-T403 PolarHBondContact N-O 2.88Å
404F84.3Confident89.3Confident68 Ų6865.3 Ų65.330%0.29834%0.342SS..BIsolated β-bridgetrans-100.6143.8178.2-65-83.2000110.2R365 Y368 I369 D399 L402R365-F404 HydrophobicContact CG-CE1 4.25Å; R365-F404 VanDerWaalsContact NH2-CZ 3.29Å; Y368-F404 CarbonylContact O-C 3.53Å; Y368-F404 VanDerWaalsContact O-CA 3.31Å; Y368-F404 WeakPolarHBondContact O-CA 3.47Å; I369-F404 HydrophobicContact CD1-CE1 4.42Å; I369-F404 HydrophobicContact CG1-CD1 4.13Å; I369-F404 HydrophobicContact CG1-CE1 3.71Å; I369-F404 HydrophobicContact CG1-CZ 4.48Å; D399-F404 HydrophobicContact CB-CE2 4.49Å; L402-F404 HydrophobicContact CB-CE2 3.83Å; L402-F404 HydrophobicContact CB-CZ 4Å; L402-F404 HydrophobicContact CD1-CE2 4.38Å; L402-F404 HydrophobicContact CD1-CZ 3.82Å
405K86.8Confident89.6Confident122 Ų12267.1 Ų67.153%0.5335%0.347SS..PPolyproline II helixtrans-63.3144.7166.5-65.1-179.7-178.3176.40109.7Y368 I370Y368-K405 PolarHBondContact O-N 3.18Å; I370-K405 HydrophobicContact CD1-CG 4.2Å; I370-K405 HydrophobicContact CG1-CG 3.74Å
406D89.3Confident90.2Very high68 Ų6862.4 Ų62.436%0.36432%0.316SS..PPolyproline II helixtrans-65.3149.4168.4-80.5-26.6000110.8F66 K68F66-D406 HydrophobicContact CD2-CB 4.35Å; F66-D406 HydrophobicContact CE2-CB 3.66Å; F66-D406 HydrophobicContact CZ-CB 3.93Å; K68-D406 VanDerWaalsContact CE-OD1 3.25Å; K68-D406 WeakPolarHBondContact CE-OD1 3.5Å; K68-D406 VanDerWaalsContact NZ-CG 3.25Å; K68-D406 IonicContact NZ-OD1 2.92Å; K68-D406 PolarHBondContact NZ-OD1 2.98Å; K68-D406 IonicContact NZ-OD2 3.57Å; K68-D406 PolarHBondContact NZ-OD2 3.11Å
407P91.2Very high90.8Very high29 Ų2956.5 Ų56.519%0.18829%0.285CS..PPolyproline II helixtrans-67.2139.5-178.726.4-33.3000111.8F66 P143 L412F66-P407 HydrophobicContact CE1-CG 3.9Å; F66-P407 HydrophobicContact CZ-CG 4.37Å; P143-P407 HydrophobicContact CB-CG 4.19Å; P143-P407 HydrophobicContact CG-CG 4.5Å; P407-L412 HydrophobicContact CB-CD1 4.38Å; P407-L412 HydrophobicContact CB-CD2 4.08Å; P407-L412 HydrophobicContact CB-CG 4.17Å; P407-L412 HydrophobicContact CG-CD1 4.13Å; P407-L412 HydrophobicContact CG-CD2 3.76Å; P407-L412 HydrophobicContact CG-CG 4.18Å
408E91.6Very high91.3Very high124 Ų12456.2 Ų56.258%0.57928%0.283SS*.PPolyproline II helixtrans-68.6158.2171.7-66.7174.1-169.800112.1N410 N411 L412E408-N410 VanDerWaalsContact C-N 3.34Å; E408-N410 VanDerWaalsContact CB-OD1 3.23Å; E408-N410 WeakPolarHBondContact CB-OD1 3.47Å; E408-N410 PolarHBondContact O-N 3.33Å; E408-N410 PolarHBondContact OE2-ND2 3.14Å; E408-N410 PolarHBondContact OE2-OD1 3.04Å; E408-N411 WeakPolarHBondContact O-CB 3.28Å; E408-N411 PolarHBondContact O-N 2.95Å; E408-L412 WeakPolarHBondContact O-CG 3.41Å
409M93.6Very high92Very high101 Ų10152.5 Ų52.550%0.49826%0.258SS..G310 helixtrans-59.5-38.5-176.7-71.1-63.8-179.500114.1I65 L145 N411 L412 I413I65-M409 HydrophobicContact CD1-CE 3.12Å; I65-M409 HydrophobicContact CD1-SD 4.36Å; L145-M409 HydrophobicContact CD2-SD 4.38Å; M409-N411 PolarHBondContact O-N 2.81Å; M409-L412 PolarHBondContact O-N 3.2Å; M409-L412 HydrophobicContact SD-CD1 4.29Å; M409-I413 PolarHBondContact O-N 3.01Å; M409-I413 HydrophobicContact SD-CD1 4.41Å
410N91.6Very high92.5Very high54 Ų5452.3 Ų52.329%0.28926%0.255SS..G310 helixtrans-60.5-24.1175.3596.8000113D329 P331 E408D329-N410 HydrophobicContact CB-CB 4.32Å; P331-N410 VanDerWaalsContact CD-O 3.31Å; P331-N410 WeakPolarHBondContact CD-O 3.23Å; P331-N410 VanDerWaalsContact CG-O 3.29Å; P331-N410 WeakPolarHBondContact CG-O 3.32Å; E408-N410 VanDerWaalsContact C-N 3.34Å; E408-N410 VanDerWaalsContact CB-OD1 3.23Å; E408-N410 WeakPolarHBondContact CB-OD1 3.47Å; E408-N410 PolarHBondContact O-N 3.33Å; E408-N410 PolarHBondContact OE2-ND2 3.14Å; E408-N410 PolarHBondContact OE2-OD1 3.04Å
411N92.5Very high93Very high33 Ų3351.5 Ų51.518%0.17625%0.249CC..G310 helixtrans-88.3-7.6177.1-71.1-65.9000112.9R201 M202 E408 M409R201-N411 PolarHBondContact NH2-O 3.31Å; M202-N411 VanDerWaalsContact SD-C 3.5Å; E408-N411 WeakPolarHBondContact O-CB 3.28Å; E408-N411 PolarHBondContact O-N 2.95Å; M409-N411 PolarHBondContact O-N 2.81Å
412L96.1Very high93.6Very high2 Ų245.8 Ų45.81%0.0123%0.229CC..THydrogen-bonded Turntrans-110.6-40.8-176.4-64.1166.4000111.5F66 L145 S166 P407 E408 M409F66-L412 HydrophobicContact CE1-CD1 3.59Å; F66-L412 HydrophobicContact CZ-CD1 4.25Å; L145-L412 HydrophobicContact CD1-CB 4.2Å; L145-L412 HydrophobicContact CD2-CD1 3.91Å; L145-L412 HydrophobicContact CG-CB 4.27Å; L145-L412 HydrophobicContact CG-CD1 4.24Å; S166-L412 VanDerWaalsContact CA-O 3.23Å; S166-L412 WeakPolarHBondContact CA-O 3.5Å; S166-L412 WeakPolarHBondContact CB-O 3.31Å; S166-L412 PolarHBondContact N-O 3.28Å; P407-L412 HydrophobicContact CB-CD1 4.38Å; P407-L412 HydrophobicContact CB-CD2 4.08Å; P407-L412 HydrophobicContact CB-CG 4.17Å; P407-L412 HydrophobicContact CG-CD1 4.13Å; P407-L412 HydrophobicContact CG-CD2 3.76Å; P407-L412 HydrophobicContact CG-CG 4.18Å; E408-L412 WeakPolarHBondContact O-CG 3.41Å; M409-L412 PolarHBondContact O-N 3.2Å; M409-L412 HydrophobicContact SD-CD1 4.29Å
413I96.7Very high94Very high54 Ų5443.1 Ų43.128%0.27722%0.218SC..  trans-117.8125.3-173.6-54.7177.7000108.7L145 P165 M409L145-I413 HydrophobicContact CD1-CD1 3.85Å; L145-I413 HydrophobicContact CD1-CG1 3.69Å; P165-I413 HydrophobicContact CB-CB 4.44Å; P165-I413 HydrophobicContact CB-CG1 4.13Å; P165-I413 HydrophobicContact CB-CG2 4.4Å; P165-I413 HydrophobicContact CG-CG1 3.94Å; P165-I413 HydrophobicContact CG-CG2 4.48Å; M409-I413 PolarHBondContact O-N 3.01Å; M409-I413 HydrophobicContact SD-CD1 4.41Å
414L97.6Very high94.3Very high1 Ų143.6 Ų43.61%0.00522%0.224CC..  trans-103.7134.7164.4-174.366.8000107.7M202 R317 I327 D330 L416M202-L414 HydrophobicContact CB-CB 3.76Å; M202-L414 PolarHBondContact O-N 3.21Å; M202-L414 VanDerWaalsContact O-N 3.14Å; R317-L414 HydrophobicContact CG-CD2 3.96Å; I327-L414 HydrophobicContact CB-CD1 4.35Å; I327-L414 HydrophobicContact CD1-CD2 4.47Å; I327-L414 HydrophobicContact CG2-CD1 3.67Å; I327-L414 HydrophobicContact CG2-CG 4.22Å; D330-L414 HydrophobicContact CB-CD1 3.77Å; D330-L414 WeakPolarHBondContact OD2-CD1 3.44Å; L414-L416 HydrophobicContact CD2-CB 3.82Å; L414-L416 HydrophobicContact CD2-CD2 3.96Å; L414-L416 HydrophobicContact CG-CB 3.88Å; L414-L416 PolarHBondContact O-N 3.13Å
415R97.9Very high94.6Very high67 Ų6745.3 Ų45.325%0.25324%0.236SC..SBendtrans-74.857.4173.5-55.7-169.8-163.5-171.64.3111.4C234 H235 I327 D329 W435C234-R415 VanDerWaalsContact CA-O 3.24Å; C234-R415 WeakPolarHBondContact CA-O 3.31Å; H235-R415 HydrophobicContact CB-CB 3.74Å; H235-R415 HydrophobicContact CB-CG 4.44Å; H235-R415 PolarHBondContact CE1-NH1 3.43Å; H235-R415 PolarHBondContact N-O 3.27Å; H235-R415 VanDerWaalsContact ND1-CD 3.35Å; H235-R415 WeakPolarHBondContact ND1-CD 3.13Å; H235-R415 PolarHBondContact ND1-NH1 3.05Å; I327-R415 HydrophobicContact CG2-CB 4.13Å; D329-R415 IonicContact OD2-CZ 3.65Å; D329-R415 IonicContact OD2-NE 2.71Å; D329-R415 IonicContact OD2-NH2 3.09Å; D329-R415 PolarHBondContact OD2-NH2 3.28Å; R415-W435 HydrophobicContact CB-CD2 4.19Å; R415-W435 HydrophobicContact CB-CE3 4.16Å; R415-W435 HydrophobicContact CB-CH2 4.34Å; R415-W435 HydrophobicContact CB-CZ2 4.31Å; R415-W435 HydrophobicContact CB-CZ3 4.24Å; R415-W435 HydrophobicContact CG-CD2 4.33Å; R415-W435 HydrophobicContact CG-CG 4.5Å
416L98.6Very high95Very high7 Ų740.6 Ų40.64%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-139.3126.2176.3177.964.2000107.2T203 S204 Y232 I233 C234 I316 R317 I327 L414T203-L416 HydrophobicContact CG2-CB 4.29Å; T203-L416 HydrophobicContact CG2-CD2 4.03Å; T203-L416 HydrophobicContact CG2-CG 3.84Å; T203-L416 WeakPolarHBondContact CG2-O 3.47Å; S204-L416 PolarHBondContact N-O 3.31Å; Y232-L416 HydrophobicContact CD1-CD1 4.08Å; Y232-L416 HydrophobicContact CD1-CG 4.34Å; I233-L416 CarbonylContact O-C 3.58Å; I233-L416 WeakPolarHBondContact O-CA 3.41Å; C234-L416 HydrophobicContact CB-CD1 3.76Å; I316-L416 HydrophobicContact CB-CD1 4.3Å; I316-L416 HydrophobicContact CB-CD2 4.36Å; I316-L416 HydrophobicContact CD1-CD1 3.9Å; I316-L416 HydrophobicContact CG2-CD1 3.8Å; R317-L416 HydrophobicContact CG-CD2 4.2Å; I327-L416 HydrophobicContact CD1-CB 4.11Å; I327-L416 HydrophobicContact CD1-CD2 4.34Å; L414-L416 HydrophobicContact CD2-CB 3.82Å; L414-L416 HydrophobicContact CD2-CD2 3.96Å; L414-L416 HydrophobicContact CG-CB 3.88Å; L414-L416 PolarHBondContact O-N 3.13Å
417H98.6Very high95.4Very high2 Ų240.6 Ų40.61%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-133.4127-174.3-175.782.9000110.7S204 G205 Y232 I233 Y419 P431 P433 W435S204-H417 CarbonylContact O-C 3.49Å; S204-H417 WeakPolarHBondContact O-CA 3.43Å; S204-H417 PolarHBondContact OG-ND1 2.69Å; G205-H417 WeakPolarHBondContact CA-CE1 3.49Å; Y232-H417 CarbonylContact C-O 3.59Å; Y232-H417 WeakPolarHBondContact CA-O 3.16Å; Y232-H417 WeakPolarHBondContact CB-O 3.35Å; I233-H417 PolarHBondContact N-O 3.18Å; I233-H417 PolarHBondContact O-N 2.89Å; H417-Y419 PolarHBondContact O-N 2.82Å; H417-Y419 VanDerWaalsContact O-N 3.15Å; H417-P431 PolarHBondContact CE1-O 3.4Å; H417-P431 PolarHBondContact NE2-O 3.03Å; H417-P433 HydrophobicContact CB-CG 4Å; H417-W435 HydrophobicContact CB-CH2 4.26Å; H417-W435 HydrophobicContact CB-CZ2 3.81Å
418A98.4Very high95.7Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-75.396.1171.700000109.1L199 S204 G205 L206 Y232 Y421L199-A418 HydrophobicContact CD1-CB 4.05Å; L199-A418 HydrophobicContact CD2-CB 4.17Å; S204-A418 PolarHBondContact O-N 2.76Å; G205-A418 CarbonylContact C-O 3.48Å; G205-A418 WeakPolarHBondContact CA-O 3.41Å; L206-A418 HydrophobicContact CB-CB 4.44Å; L206-A418 WeakPolarHBondContact CB-O 3.44Å; L206-A418 PolarHBondContact N-O 3.31Å; Y232-A418 HydrophobicContact CD1-CB 3.89Å; Y232-A418 HydrophobicContact CE1-CB 3.5Å; A418-Y421 HydrophobicContact CB-CE1 4.36Å
419Y98.4Very high96Very high8 Ų837.1 Ų37.13%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-80.4-54.8-170.2173.1-118.9000112.6Y231 I233 H417 S429 A430 L432 I448 I452Y231-Y419 PolarHBondContact O-N 2.89Å; I233-Y419 HydrophobicContact CD1-CD1 4.31Å; I233-Y419 HydrophobicContact CD1-CD2 4.27Å; I233-Y419 HydrophobicContact CD1-CG 3.95Å; I233-Y419 HydrophobicContact CG1-CG 4.47Å; H417-Y419 PolarHBondContact O-N 2.82Å; H417-Y419 VanDerWaalsContact O-N 3.15Å; Y419-S429 CarbonylContact O-C 3.5Å; Y419-S429 VanDerWaalsContact O-CA 3.28Å; Y419-S429 WeakPolarHBondContact O-CA 3.37Å; Y419-A430 WeakPolarHBondContact CD2-O 3.14Å; Y419-A430 WeakPolarHBondContact CE2-O 3.38Å; Y419-A430 PolarHBondContact O-N 2.88Å; Y419-L432 HydrophobicContact CD2-CD2 3.64Å; Y419-L432 HydrophobicContact CE2-CD2 3.6Å; Y419-L432 HydrophobicContact CE2-CG 4.21Å; Y419-L432 HydrophobicContact CG-CD2 4.49Å; Y419-I448 HydrophobicContact CD1-CG2 4.07Å; Y419-I448 HydrophobicContact CE1-CG2 3.38Å; Y419-I452 HydrophobicContact CD1-CD1 4.23Å; Y419-I452 HydrophobicContact CE1-CD1 3.89Å
420R98.3Very high96.2Very high28 Ų2832.5 Ų32.511%0.10618%0.181CC..EExtended strand (participates in β ladder)trans-143.4133.3-171.3174.9178.2-64.5164.31.7112.4Y231 Y428 S429 E449 I452Y231-R420 HydrophobicContact CD2-CB 4.44Å; Y231-R420 HydrophobicContact CD2-CG 4.43Å; Y231-R420 PolarHBondContact N-O 2.77Å; Y231-R420 PolarHBondContact O-N 3.23Å; Y231-R420 VanDerWaalsContact O-N 3.13Å; R420-Y428 WeakPolarHBondContact CA-O 3.5Å; R420-Y428 WeakPolarHBondContact CG-O 3.5Å; R420-S429 PolarHBondContact NE-OG 3.14Å; R420-S429 PolarHBondContact NH2-OG 3.35Å; R420-E449 IonicContact CZ-OE1 3.93Å; R420-E449 IonicContact CZ-OE2 3.66Å; R420-E449 IonicContact NH1-OE1 2.78Å; R420-E449 PolarHBondContact NH1-OE1 3.29Å; R420-E449 IonicContact NH1-OE2 2.68Å; R420-E449 PolarHBondContact NH1-OE2 3.43Å; R420-E449 IonicContact NH2-OE1 3.31Å; R420-E449 PolarHBondContact NH2-OE1 2.91Å; R420-E449 IonicContact NH2-OE2 2.75Å; R420-I452 VanDerWaalsContact NH1-CD1 3.32Å
421Y97.9Very high96.4Very high4 Ų432.9 Ų32.92%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-118.1136.8167.1-60.9-17.7000110.3H197 L206 L208 A229 K230 Y232 A418 W426 C427 Y428H197-Y421 AromaticContact CE1-CE2 3.65Å; H197-Y421 AromaticContact NE2-CE2 3.73Å; L206-Y421 HydrophobicContact CB-CE2 4.49Å; L206-Y421 HydrophobicContact CD2-CD1 4.42Å; L206-Y421 HydrophobicContact CD2-CD2 3.78Å; L206-Y421 HydrophobicContact CD2-CE2 4.48Å; L206-Y421 HydrophobicContact CD2-CG 3.74Å; L206-Y421 HydrophobicContact CG-CD2 4.39Å; L208-Y421 HydrophobicContact CD1-CD2 3.8Å; L208-Y421 HydrophobicContact CG-CD2 3.9Å; A229-Y421 VanDerWaalsContact O-CA 3.31Å; A229-Y421 WeakPolarHBondContact O-CA 3.31Å; K230-Y421 HydrophobicContact CB-CD1 3.73Å; K230-Y421 HydrophobicContact CB-CE1 3.75Å; K230-Y421 HydrophobicContact CD-CE1 4.42Å; K230-Y421 HydrophobicContact CG-CD1 3.67Å; K230-Y421 HydrophobicContact CG-CE1 3.83Å; K230-Y421 HydrophobicContact CG-CG 4.29Å; Y232-Y421 AromaticContact CE2-CE1 3.91Å; Y232-Y421 HydrophobicContact CE2-CE1 3.91Å; Y232-Y421 PolarHBondContact OH-OH 2.83Å; A418-Y421 HydrophobicContact CB-CE1 4.36Å; Y421-W426 WeakPolarHBondContact O-CZ3 3.47Å; Y421-C427 WeakPolarHBondContact O-CA 3.31Å; Y421-Y428 PolarHBondContact N-O 2.99Å; Y421-Y428 PolarHBondContact O-N 3.26Å
422S97.1Very high96.6Very high37 Ų3733.1 Ų33.126%0.25919%0.188SC..EExtended strand (participates in β ladder)trans-130.2126.8175.9-167.60000110.3V228 A229 W426V228-S422 CarbonylContact C-O 3.54Å; V228-S422 WeakPolarHBondContact CA-O 3.07Å; A229-S422 PolarHBondContact N-O 3Å; A229-S422 PolarHBondContact O-N 2.97Å; S422-W426 CarbonylContact C-O 3.59Å; S422-W426 WeakPolarHBondContact CA-O 3.29Å; S422-W426 PolarHBondContact OG-O 3.19Å
423G94.5Very high96.6Very high12 Ų1234 Ų3412%0.12419%0.194CC..  trans-95.6-164.5164.200000111.3D425 W426G423-D425 VanDerWaalsContact C-N 3.34Å; G423-W426 PolarHBondContact N-O 2.89Å
424S89.3Confident96.4Very high94 Ų9435.2 Ų35.266%0.65721%0.207SC*.SBendtrans-65.5-33.6177.341.70000114.2Q222Q222-S424 PolarHBondContact NE2-OG 2.76Å
425D90.4Very high96.2Very high104 Ų10436.7 Ų36.756%0.55621%0.213SC*.SBendtrans-133.95-165.158-43.9000112.5G423G423-D425 VanDerWaalsContact C-N 3.34Å
426W95.3Very high96Very high24 Ų2433.5 Ų33.59%0.09120%0.201CC..  trans-150.3149-178.357.8-95.4000111.3L208 L219 Q222 V228 Y421 S422 G423 Y428L208-W426 HydrophobicContact CD1-CH2 3.4Å; L208-W426 HydrophobicContact CD1-CZ2 4.19Å; L208-W426 HydrophobicContact CD1-CZ3 3.77Å; L208-W426 HydrophobicContact CD2-CZ3 4.44Å; L219-W426 HydrophobicContact CD2-CZ2 3.86Å; Q222-W426 VanDerWaalsContact OE1-NE1 3.1Å; V228-W426 HydrophobicContact CG1-CH2 3.74Å; V228-W426 HydrophobicContact CG1-CZ2 4.32Å; V228-W426 HydrophobicContact CG2-CH2 4.17Å; V228-W426 HydrophobicContact CG2-CZ2 3.93Å; Y421-W426 WeakPolarHBondContact O-CZ3 3.47Å; S422-W426 CarbonylContact C-O 3.59Å; S422-W426 WeakPolarHBondContact CA-O 3.29Å; S422-W426 PolarHBondContact OG-O 3.19Å; G423-W426 PolarHBondContact N-O 2.89Å; W426-Y428 HydrophobicContact CB-CE2 4.15Å; W426-Y428 HydrophobicContact CD2-CD2 4.43Å; W426-Y428 HydrophobicContact CD2-CE2 4.16Å; W426-Y428 AromaticContact CE3-CD2 3.53Å; W426-Y428 HydrophobicContact CE3-CD2 3.53Å; W426-Y428 AromaticContact CE3-CE2 3.69Å; W426-Y428 HydrophobicContact CE3-CE2 3.69Å; W426-Y428 HydrophobicContact CG-CE2 4.38Å; W426-Y428 HydrophobicContact CZ3-CD2 4.02Å; W426-Y428 HydrophobicContact CZ3-CE2 4.47Å
427C97.3Very high95.6Very high67 Ų6737.6 Ų37.645%0.45322%0.222SC..EExtended strand (participates in β ladder)trans-146.2131174.3176.30000109.2Y421Y421-C427 WeakPolarHBondContact O-CA 3.31Å
428Y98.1Very high95Very high42 Ų4242.6 Ų42.617%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-131.1142.9177.3-58.2-71.3000110.1H153 I158 V160 L206 L208 R420 Y421 W426H153-Y428 HydrophobicContact CB-CD1 3.99Å; H153-Y428 HydrophobicContact CB-CE1 3.68Å; H153-Y428 AromaticContact CD2-CE1 3.68Å; H153-Y428 AromaticContact CD2-CZ 3.82Å; H153-Y428 PolarHBondContact CD2-OH 2.98Å; H153-Y428 AromaticContact CG-CE1 3.55Å; I158-Y428 HydrophobicContact CD1-CE2 4.29Å; V160-Y428 HydrophobicContact CG1-CG 4.26Å; V160-Y428 HydrophobicContact CG2-CD1 4.28Å; V160-Y428 HydrophobicContact CG2-CD2 3.88Å; V160-Y428 HydrophobicContact CG2-CE1 4.3Å; V160-Y428 HydrophobicContact CG2-CE2 3.91Å; V160-Y428 HydrophobicContact CG2-CG 4.08Å; L206-Y428 VanDerWaalsContact CD2-O 3.28Å; L206-Y428 WeakPolarHBondContact CD2-O 3.27Å; L208-Y428 HydrophobicContact CD2-CD2 3.91Å; L208-Y428 HydrophobicContact CD2-CE2 4.49Å; R420-Y428 WeakPolarHBondContact CA-O 3.5Å; R420-Y428 WeakPolarHBondContact CG-O 3.5Å; Y421-Y428 PolarHBondContact N-O 2.99Å; Y421-Y428 PolarHBondContact O-N 3.26Å; W426-Y428 HydrophobicContact CB-CE2 4.15Å; W426-Y428 HydrophobicContact CD2-CD2 4.43Å; W426-Y428 HydrophobicContact CD2-CE2 4.16Å; W426-Y428 AromaticContact CE3-CD2 3.53Å; W426-Y428 HydrophobicContact CE3-CD2 3.53Å; W426-Y428 AromaticContact CE3-CE2 3.69Å; W426-Y428 HydrophobicContact CE3-CE2 3.69Å; W426-Y428 HydrophobicContact CG-CE2 4.38Å; W426-Y428 HydrophobicContact CZ3-CD2 4.02Å; W426-Y428 HydrophobicContact CZ3-CE2 4.47Å
429S98Very high94.4Very high39 Ų3944.7 Ų44.727%0.27326%0.258SS..EExtended strand (participates in β ladder)trans-127.7137175.9-47.50000110.1V152 Y419 R420V152-S429 WeakPolarHBondContact CG1-O 3.47Å; Y419-S429 CarbonylContact O-C 3.5Å; Y419-S429 VanDerWaalsContact O-CA 3.28Å; Y419-S429 WeakPolarHBondContact O-CA 3.37Å; R420-S429 PolarHBondContact NE-OG 3.14Å; R420-S429 PolarHBondContact NH2-OG 3.35Å
430A97.5Very high93.6Very high3 Ų351 Ų513%0.02529%0.292CS..PPolyproline II helixtrans-82.2151.7169.200000109.9N162 L206 Y419N162-A430 HydrophobicContact CB-CB 4.22Å; L206-A430 HydrophobicContact CB-CB 4.25Å; L206-A430 HydrophobicContact CD1-CB 4.22Å; Y419-A430 WeakPolarHBondContact CD2-O 3.14Å; Y419-A430 WeakPolarHBondContact CE2-O 3.38Å; Y419-A430 PolarHBondContact O-N 2.88Å
431P96.5Very high92.8Very high62 Ų6250.9 Ų50.940%0.40330%0.295SS..PPolyproline II helixtrans-63.5146.7171.327.8-33.2000110.5E150 N162 H417E150-P431 VanDerWaalsContact OE2-CG 3.25Å; E150-P431 WeakPolarHBondContact OE2-CG 3.43Å; N162-P431 HydrophobicContact CB-CG 4.5Å; N162-P431 WeakPolarHBondContact ND2-CG 3.23Å; H417-P431 PolarHBondContact CE1-O 3.4Å; H417-P431 PolarHBondContact NE2-O 3.03Å
432L96.4Very high92.1Very high38 Ų3855.8 Ų55.820%0.19933%0.327CS..PPolyproline II helixtrans-65.9136179.4-65.5175.9000110.5I233 Y419 V436 I437 L444 I448I233-L432 HydrophobicContact CD1-CD2 3.49Å; I233-L432 VanDerWaalsContact CD1-CD2 3.49Å; Y419-L432 HydrophobicContact CD2-CD2 3.64Å; Y419-L432 HydrophobicContact CE2-CD2 3.6Å; Y419-L432 HydrophobicContact CE2-CG 4.21Å; Y419-L432 HydrophobicContact CG-CD2 4.49Å; L432-V436 HydrophobicContact CB-CB 4.49Å; L432-V436 HydrophobicContact CB-CG1 4.34Å; L432-V436 HydrophobicContact CD1-CG1 4.18Å; L432-V436 HydrophobicContact CD2-CG1 4.22Å; L432-V436 HydrophobicContact CG-CG1 4.49Å; L432-I437 HydrophobicContact CB-CD1 4.34Å; L432-I437 HydrophobicContact CB-CG1 4.08Å; L432-L444 HydrophobicContact CD1-CD2 4.13Å; L432-L444 HydrophobicContact CD1-CG 4.41Å; L432-I448 HydrophobicContact CD1-CD1 3.88Å; L432-I448 HydrophobicContact CD2-CD1 3.95Å
433P95Very high91.7Very high21 Ų2159.9 Ų59.914%0.13635%0.346CS..PPolyproline II helixtrans-72.5156.6177.431.7-35.3000110.9H417 W435 V436 I437H417-P433 HydrophobicContact CB-CG 4Å; P433-W435 VanDerWaalsContact C-N 3.27Å; P433-W435 HydrophobicContact CB-CZ2 4.48Å; P433-W435 HydrophobicContact CG-CD2 4.05Å; P433-W435 HydrophobicContact CG-CG 4.46Å; P433-W435 HydrophobicContact CG-CH2 4.28Å; P433-W435 HydrophobicContact CG-CZ2 3.54Å; P433-W435 PolarHBondContact O-N 3.05Å; P433-V436 HydrophobicContact CG-CB 4.28Å; P433-V436 HydrophobicContact CG-CG2 3.69Å; P433-V436 WeakPolarHBondContact O-CB 3.4Å; P433-V436 PolarHBondContact O-N 3.1Å; P433-I437 PolarHBondContact O-N 3.39Å
434S93.1Very high91.6Very high79 Ų7960.3 Ų60.355%0.55235%0.346SS*.Hα-helixtrans-55.8-37.1-17654.70000114.1V436 I437 N438S434-V436 PolarHBondContact O-N 2.91Å; S434-I437 PolarHBondContact O-N 3.34Å; S434-N438 VanDerWaalsContact O-CB 3.27Å; S434-N438 WeakPolarHBondContact O-CB 3.49Å; S434-N438 PolarHBondContact O-N 2.97Å; S434-N438 PolarHBondContact O-ND2 3.22Å; S434-N438 PolarHBondContact O-OD1 3.39Å
435W94.2Very high91.7Very high32 Ų3260.8 Ų60.812%0.12134%0.337CS..Hα-helixtrans-67.4-15.9177.759.6-100.4000113.8I233 H235 L303 R415 H417 P433I233-W435 HydrophobicContact CG2-CH2 4.28Å; I233-W435 HydrophobicContact CG2-CZ3 4.38Å; H235-W435 HydrophobicContact CB-CE3 4.05Å; H235-W435 HydrophobicContact CB-CZ3 3.85Å; L303-W435 HydrophobicContact CD1-CZ3 3.91Å; R415-W435 HydrophobicContact CB-CD2 4.19Å; R415-W435 HydrophobicContact CB-CE3 4.16Å; R415-W435 HydrophobicContact CB-CH2 4.34Å; R415-W435 HydrophobicContact CB-CZ2 4.31Å; R415-W435 HydrophobicContact CB-CZ3 4.24Å; R415-W435 HydrophobicContact CG-CD2 4.33Å; R415-W435 HydrophobicContact CG-CG 4.5Å; H417-W435 HydrophobicContact CB-CH2 4.26Å; H417-W435 HydrophobicContact CB-CZ2 3.81Å; P433-W435 VanDerWaalsContact C-N 3.27Å; P433-W435 HydrophobicContact CB-CZ2 4.48Å; P433-W435 HydrophobicContact CG-CD2 4.05Å; P433-W435 HydrophobicContact CG-CG 4.46Å; P433-W435 HydrophobicContact CG-CH2 4.28Å; P433-W435 HydrophobicContact CG-CZ2 3.54Å; P433-W435 PolarHBondContact O-N 3.05Å
436V93.8Very high91.9Very high0 Ų060.8 Ų60.80%034%0.337CS..Hα-helixtrans-84.2-46.8169.7171.50000110.2I233 L303 L432 P433 S434 N438 E439 L444I233-V436 HydrophobicContact CG2-CG2 3.91Å; L303-V436 HydrophobicContact CD1-CG2 4.12Å; L303-V436 HydrophobicContact CD2-CG1 3.94Å; L432-V436 HydrophobicContact CB-CB 4.49Å; L432-V436 HydrophobicContact CB-CG1 4.34Å; L432-V436 HydrophobicContact CD1-CG1 4.18Å; L432-V436 HydrophobicContact CD2-CG1 4.22Å; L432-V436 HydrophobicContact CG-CG1 4.49Å; P433-V436 HydrophobicContact CG-CB 4.28Å; P433-V436 HydrophobicContact CG-CG2 3.69Å; P433-V436 WeakPolarHBondContact O-CB 3.4Å; P433-V436 PolarHBondContact O-N 3.1Å; S434-V436 PolarHBondContact O-N 2.91Å; V436-N438 VanDerWaalsContact C-N 3.3Å; V436-N438 PolarHBondContact O-N 3.41Å; V436-E439 PolarHBondContact O-N 3.1Å; V436-L444 HydrophobicContact CG1-CD2 3.63Å
437I88.7Confident91.8Very high93 Ų9361.3 Ų61.348%0.47735%0.347SS..Hα-helixtrans-62.7-40.5-178-61.8170.7000110.8L432 P433 S434 E439 N440L432-I437 HydrophobicContact CB-CD1 4.34Å; L432-I437 HydrophobicContact CB-CG1 4.08Å; P433-I437 PolarHBondContact O-N 3.39Å; S434-I437 PolarHBondContact O-N 3.34Å; I437-E439 PolarHBondContact O-N 2.63Å; I437-E439 VanDerWaalsContact O-N 3.17Å; I437-N440 PolarHBondContact O-N 3.49Å; I437-N440 VanDerWaalsContact O-N 3.11Å
438N87.7Confident91.8Very high108 Ų10858.1 Ų58.158%0.57833%0.325SS*.THydrogen-bonded Turntrans-69.3-10.3-177.1-67-10.1000114S434 V436 N440S434-N438 VanDerWaalsContact O-CB 3.27Å; S434-N438 WeakPolarHBondContact O-CB 3.49Å; S434-N438 PolarHBondContact O-N 2.97Å; S434-N438 PolarHBondContact O-ND2 3.22Å; S434-N438 PolarHBondContact O-OD1 3.39Å; V436-N438 VanDerWaalsContact C-N 3.3Å; V436-N438 PolarHBondContact O-N 3.41Å; N438-N440 PolarHBondContact O-N 2.9Å; N438-N440 PolarHBondContact O-ND2 2.87Å
439E85Confident91.7Very high43 Ų4358.1 Ų58.120%0.20133%0.327CS..THydrogen-bonded Turntrans-72-7.5171.3-69.1-63.5141.600112.4H235 N296 V436 I437 V441H235-E439 IonicContact CE1-OE1 3.95Å; H235-E439 PolarHBondContact CE1-OE1 3.37Å; H235-E439 IonicContact NE2-OE1 2.8Å; N296-E439 PolarHBondContact ND2-OE2 2.93Å; V436-E439 PolarHBondContact O-N 3.1Å; I437-E439 PolarHBondContact O-N 2.63Å; I437-E439 VanDerWaalsContact O-N 3.17Å; E439-V441 HydrophobicContact CB-CG2 4.01Å; E439-V441 PolarHBondContact O-N 3.2Å; E439-V441 VanDerWaalsContact O-N 3.14Å
440N80.8Confident91.5Very high140 Ų14061.3 Ų61.375%0.74934%0.337SS*.  trans51.637.1175.2-62.2-49.4000113.7I437 N438 P442I437-N440 PolarHBondContact O-N 3.49Å; I437-N440 VanDerWaalsContact O-N 3.11Å; N438-N440 PolarHBondContact O-N 2.9Å; N438-N440 PolarHBondContact O-ND2 2.87Å; N440-P442 WeakPolarHBondContact O-CD 3.46Å
441V82.1Confident91.4Very high26 Ų2661.3 Ų61.316%0.15834%0.338CS..  trans-68.7123176.9-178.80000108.8S294 E439 D443 L444S294-V441 WeakPolarHBondContact OG-CG2 3.31Å; E439-V441 HydrophobicContact CB-CG2 4.01Å; E439-V441 PolarHBondContact O-N 3.2Å; E439-V441 VanDerWaalsContact O-N 3.14Å; V441-D443 PolarHBondContact O-N 3.04Å; V441-L444 HydrophobicContact CB-CB 4.07Å; V441-L444 HydrophobicContact CB-CD1 3.93Å; V441-L444 HydrophobicContact CB-CD2 4.5Å; V441-L444 HydrophobicContact CB-CG 4.38Å; V441-L444 HydrophobicContact CG1-CB 4.34Å; V441-L444 HydrophobicContact CG1-CD1 4.01Å; V441-L444 HydrophobicContact CG2-CD1 4.31Å; V441-L444 PolarHBondContact O-N 3.17Å
442P83.9Confident91.4Very high108 Ų10859.2 Ų59.270%0.70132%0.323SS*.THydrogen-bonded Turntrans-57.5137.3174.7-22.733.4000110.8N440 L444N440-P442 WeakPolarHBondContact O-CD 3.46Å; P442-L444 PolarHBondContact O-N 3.5Å
443D88.6Confident91.3Very high123 Ų12364.6 Ų64.666%0.65835%0.345SS*.THydrogen-bonded Turntrans49.536176.3-51.5-43.3000113.7V441 H445 D446 A447V441-D443 PolarHBondContact O-N 3.04Å; D443-H445 PolarHBondContact O-N 3.43Å; D443-D446 HydrophobicContact CB-CB 4.39Å; D443-D446 PolarHBondContact O-N 3.49Å; D443-A447 PolarHBondContact O-N 3.2Å
444L91.8Very high91.2Very high20 Ų2067.9 Ų67.911%0.10536%0.358CS..Hα-helixtrans-51.5-37.5-173.3178.456.9000113.6L303 L432 V436 V441 P442 I448L303-L444 HydrophobicContact CD2-CD1 3.94Å; L432-L444 HydrophobicContact CD1-CD2 4.13Å; L432-L444 HydrophobicContact CD1-CG 4.41Å; V436-L444 HydrophobicContact CG1-CD2 3.63Å; V441-L444 HydrophobicContact CB-CB 4.07Å; V441-L444 HydrophobicContact CB-CD1 3.93Å; V441-L444 HydrophobicContact CB-CD2 4.5Å; V441-L444 HydrophobicContact CB-CG 4.38Å; V441-L444 HydrophobicContact CG1-CB 4.34Å; V441-L444 HydrophobicContact CG1-CD1 4.01Å; V441-L444 HydrophobicContact CG2-CD1 4.31Å; V441-L444 PolarHBondContact O-N 3.17Å; P442-L444 PolarHBondContact O-N 3.5Å; L444-I448 HydrophobicContact CD1-CD1 3.92Å; L444-I448 HydrophobicContact CD1-CG1 4.18Å; L444-I448 HydrophobicContact CG-CD1 3.93Å; L444-I448 WeakPolarHBondContact O-CB 3.4Å; L444-I448 WeakPolarHBondContact O-CD1 3.44Å; L444-I448 VanDerWaalsContact O-CG1 3.24Å; L444-I448 WeakPolarHBondContact O-CG1 3.4Å; L444-I448 PolarHBondContact O-N 3.1Å
445H92Very high91.1Very high104 Ų10465 Ų6548%0.48134%0.336SS..Hα-helixtrans-64-47.8178.1-169.663.9000111.4D443 A447 I448 E449D443-H445 PolarHBondContact O-N 3.43Å; H445-A447 VanDerWaalsContact C-N 3.34Å; H445-A447 PolarHBondContact O-N 3.36Å; H445-I448 WeakPolarHBondContact O-CB 3.36Å; H445-I448 PolarHBondContact O-N 3.39Å; H445-E449 IonicContact CE1-OE1 3.84Å; H445-E449 WeakPolarHBondContact O-CG 3.4Å; H445-E449 PolarHBondContact O-N 2.77Å
446D94Very high91Very high104 Ų10466.7 Ų66.756%0.55635%0.347SS*.Hα-helixtrans-65.4-39.1178.6-66.8-20.7000111.3D443 I448 E449 E450D443-D446 HydrophobicContact CB-CB 4.39Å; D443-D446 PolarHBondContact O-N 3.49Å; D446-I448 VanDerWaalsContact C-N 3.31Å; D446-I448 PolarHBondContact O-N 3.4Å; D446-E449 PolarHBondContact O-N 2.77Å; D446-E450 WeakPolarHBondContact O-CB 3.41Å; D446-E450 PolarHBondContact O-N 2.99Å
447A93.3Very high90.9Very high35 Ų3570.2 Ų70.229%0.28937%0.365SS..Hα-helixtrans-60.2-40.5173.800000112.1D443 H445 A451D443-A447 PolarHBondContact O-N 3.2Å; H445-A447 VanDerWaalsContact C-N 3.34Å; H445-A447 PolarHBondContact O-N 3.36Å; A447-A451 WeakPolarHBondContact O-CB 3.31Å; A447-A451 PolarHBondContact O-N 3.19Å
448I96.3Very high91Very high0 Ų068.9 Ų68.90%036%0.359CS..Hα-helixtrans-65.9-45.3174.7-73.5164.6000110.9I233 L293 I305 Y419 L432 L444 H445 D446 A451 I452I233-I448 HydrophobicContact CD1-CD1 3.75Å; I233-I448 HydrophobicContact CD1-CG1 4.33Å; L293-I448 HydrophobicContact CD1-CD1 4.47Å; L293-I448 HydrophobicContact CD1-CG1 3.68Å; L293-I448 HydrophobicContact CD2-CG1 4.32Å; I305-I448 HydrophobicContact CD1-CG2 4.1Å; Y419-I448 HydrophobicContact CD1-CG2 4.07Å; Y419-I448 HydrophobicContact CE1-CG2 3.38Å; L432-I448 HydrophobicContact CD1-CD1 3.88Å; L432-I448 HydrophobicContact CD2-CD1 3.95Å; L444-I448 HydrophobicContact CD1-CD1 3.92Å; L444-I448 HydrophobicContact CD1-CG1 4.18Å; L444-I448 HydrophobicContact CG-CD1 3.93Å; L444-I448 WeakPolarHBondContact O-CB 3.4Å; L444-I448 WeakPolarHBondContact O-CD1 3.44Å; L444-I448 VanDerWaalsContact O-CG1 3.24Å; L444-I448 WeakPolarHBondContact O-CG1 3.4Å; L444-I448 PolarHBondContact O-N 3.1Å; H445-I448 WeakPolarHBondContact O-CB 3.36Å; H445-I448 PolarHBondContact O-N 3.39Å; D446-I448 VanDerWaalsContact C-N 3.31Å; D446-I448 PolarHBondContact O-N 3.4Å; I448-A451 PolarHBondContact O-N 3.21Å; I448-I452 HydrophobicContact CG2-CD1 3.85Å; I448-I452 HydrophobicContact CG2-CG1 4.48Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.45Å; I448-I452 PolarHBondContact O-N 2.95Å
449E96.5Very high91.2Very high43 Ų4366.6 Ų66.620%0.20135%0.346CS..Hα-helixtrans-63.6-42.2180-68-50.113300112.2R420 H445 D446 I452 K453R420-E449 IonicContact CZ-OE1 3.93Å; R420-E449 IonicContact CZ-OE2 3.66Å; R420-E449 IonicContact NH1-OE1 2.78Å; R420-E449 PolarHBondContact NH1-OE1 3.29Å; R420-E449 IonicContact NH1-OE2 2.68Å; R420-E449 PolarHBondContact NH1-OE2 3.43Å; R420-E449 IonicContact NH2-OE1 3.31Å; R420-E449 PolarHBondContact NH2-OE1 2.91Å; R420-E449 IonicContact NH2-OE2 2.75Å; H445-E449 IonicContact CE1-OE1 3.84Å; H445-E449 WeakPolarHBondContact O-CG 3.4Å; H445-E449 PolarHBondContact O-N 2.77Å; D446-E449 PolarHBondContact O-N 2.77Å; E449-I452 PolarHBondContact O-N 3.48Å; E449-K453 WeakPolarHBondContact O-CG 3.48Å; E449-K453 PolarHBondContact O-N 2.71Å; E449-K453 VanDerWaalsContact O-N 3.14Å
450E95Very high91.5Very high105 Ų10568.1 Ų68.149%0.49136%0.355SS..Hα-helixtrans-66.8-42177.3-166.255.1-150.100111.5D446 I452 K453 Q454D446-E450 WeakPolarHBondContact O-CB 3.41Å; D446-E450 PolarHBondContact O-N 2.99Å; E450-I452 VanDerWaalsContact C-N 3.28Å; E450-I452 PolarHBondContact O-N 3.19Å; E450-K453 PolarHBondContact O-N 3.48Å; E450-K453 VanDerWaalsContact O-N 3.15Å; E450-K453 IonicContact OE2-NZ 2.85Å; E450-K453 PolarHBondContact OE2-NZ 2.73Å; E450-Q454 PolarHBondContact O-N 3.31Å
451A94.9Very high92.3Very high4 Ų463.3 Ų63.33%0.03333%0.329CS..Hα-helixtrans-60.5-36.6173.800000112.9L291 L293 I305 A447 I448 Q454 L455L291-A451 HydrophobicContact CD2-CB 3.53Å; L293-A451 HydrophobicContact CD2-CB 3.66Å; I305-A451 HydrophobicContact CG2-CB 3.66Å; A447-A451 WeakPolarHBondContact O-CB 3.31Å; A447-A451 PolarHBondContact O-N 3.19Å; I448-A451 PolarHBondContact O-N 3.21Å; A451-Q454 PolarHBondContact O-N 2.68Å; A451-L455 WeakPolarHBondContact O-CB 3.14Å; A451-L455 VanDerWaalsContact O-CG 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.26Å; A451-L455 PolarHBondContact O-N 3.16Å
452I96.2Very high93Very high18 Ų1865.9 Ų65.99%0.09234%0.341CS..Hα-helixtrans-66.7-37.6175.9-75.2172.1000111.6Y231 I305 Y419 R420 I448 E449 E450 Q454 L455Y231-I452 HydrophobicContact CD1-CG1 3.87Å; Y231-I452 HydrophobicContact CE1-CB 4.34Å; Y231-I452 HydrophobicContact CE1-CG1 4.09Å; Y231-I452 HydrophobicContact CE1-CG2 4.05Å; Y231-I452 HydrophobicContact CE2-CG2 4.07Å; Y231-I452 HydrophobicContact CG-CD1 4.37Å; Y231-I452 HydrophobicContact CG-CG1 4.14Å; I305-I452 HydrophobicContact CD1-CD1 3.99Å; I305-I452 HydrophobicContact CD1-CG1 3.49Å; I305-I452 VanDerWaalsContact CD1-CG1 3.49Å; Y419-I452 HydrophobicContact CD1-CD1 4.23Å; Y419-I452 HydrophobicContact CE1-CD1 3.89Å; R420-I452 VanDerWaalsContact NH1-CD1 3.32Å; I448-I452 HydrophobicContact CG2-CD1 3.85Å; I448-I452 HydrophobicContact CG2-CG1 4.48Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.45Å; I448-I452 PolarHBondContact O-N 2.95Å; E449-I452 PolarHBondContact O-N 3.48Å; E450-I452 VanDerWaalsContact C-N 3.28Å; E450-I452 PolarHBondContact O-N 3.19Å; I452-Q454 VanDerWaalsContact C-N 3.33Å; I452-L455 VanDerWaalsContact O-OXT 3.08Å
453K94.5Very high93.7Very high151 Ų15162.7 Ų62.766%0.65731%0.314SS*.Hα-helixtrans-67.8-35.9175.5-65.4172.9-156.1154.70111.9E449 E450E449-K453 WeakPolarHBondContact O-CG 3.48Å; E449-K453 PolarHBondContact O-N 2.71Å; E449-K453 VanDerWaalsContact O-N 3.14Å; E450-K453 PolarHBondContact O-N 3.48Å; E450-K453 VanDerWaalsContact O-N 3.15Å; E450-K453 IonicContact OE2-NZ 2.85Å; E450-K453 PolarHBondContact OE2-NZ 2.73Å
454Q92.6Very high94.1Very high90 Ų9057.7 Ų57.742%0.42129%0.285SS..Hα-helixtrans-71.5-33.3178.3-174172.8-3.600112.8N255 V257 L291 E450 A451 I452N255-Q454 PolarHBondContact O-NE2 3.47Å; V257-Q454 HydrophobicContact CG2-CG 4.16Å; L291-Q454 HydrophobicContact CD2-CB 4.48Å; L291-Q454 HydrophobicContact CD2-CG 4.45Å; E450-Q454 PolarHBondContact O-N 3.31Å; A451-Q454 PolarHBondContact O-N 2.68Å; I452-Q454 VanDerWaalsContact C-N 3.33Å
455L92Very high94.3Very high18 Ų1861.1 Ų61.19%0.09430%0.301CS..  trans-84.20179.6-77.4175.3000113.9Y231 V257 H289 L291 I305 R307 A451 I452Y231-L455 HydrophobicContact CD1-CD1 4.48Å; Y231-L455 HydrophobicContact CE1-CB 4.03Å; Y231-L455 HydrophobicContact CE1-CD1 4.49Å; Y231-L455 PolarHBondContact OH-OXT 2.89Å; V257-L455 HydrophobicContact CG1-CD2 3.67Å; V257-L455 HydrophobicContact CG2-CD2 4.03Å; H289-L455 HydrophobicContact CB-CD2 3.62Å; L291-L455 HydrophobicContact CB-CD1 4.26Å; L291-L455 HydrophobicContact CB-CD2 4.29Å; L291-L455 HydrophobicContact CB-CG 4.27Å; I305-L455 HydrophobicContact CB-CD1 4.49Å; I305-L455 HydrophobicContact CG1-CD1 4.15Å; I305-L455 HydrophobicContact CG2-CD1 3.8Å; R307-L455 HydrophobicContact CB-CB 4.21Å; R307-L455 HydrophobicContact CB-CD1 4.27Å; R307-L455 HydrophobicContact CB-CD2 4.46Å; R307-L455 WeakPolarHBondContact CD-O 3.4Å; R307-L455 VanDerWaalsContact NH1-C 3.31Å; R307-L455 PolarHBondContact NH1-O 3.31Å; R307-L455 PolarHBondContact NH1-OXT 3.43Å; A451-L455 WeakPolarHBondContact O-CB 3.14Å; A451-L455 VanDerWaalsContact O-CG 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.26Å; A451-L455 PolarHBondContact O-N 3.16Å; I452-L455 VanDerWaalsContact O-OXT 3.08Å

Retrieved 455 of 455 residues in 1183.7 ms (Link to these results)

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