A0A077ZA02_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZA02, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 428 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
1M70.2Confident79Confident134 Ų134118.1 Ų118.166%0.6654%0.536SS*.  0-600-72.8-162.9-73.200112.2E3 K4 E5 L117 V120M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.41Å; M1-K4 PolarHBondContact O-N 2.96Å; M1-K4 VanDerWaalsContact O-N 3.09Å; M1-E5 PolarHBondContact O-N 3Å; M1-L117 HydrophobicContact CB-CD1 4.11Å; M1-L117 HydrophobicContact CE-CD1 3.81Å; M1-L117 HydrophobicContact SD-CD1 4.3Å; M1-V120 HydrophobicContact CE-CB 4.18Å; M1-V120 HydrophobicContact CE-CG1 3.95Å; M1-V120 HydrophobicContact CE-CG2 4.17Å
2K77.8Confident79.4Confident149 Ų149111.2 Ų111.265%0.64851%0.506SS*.Hα-helixtrans-53-38.7178.4-69.5-175.3175.4-178.20114.5E5 K6 L117K2-E5 WeakPolarHBondContact O-CB 3.14Å; K2-E5 PolarHBondContact O-N 3.25Å; K2-K6 PolarHBondContact O-N 3.21Å; K2-L117 HydrophobicContact CG-CD2 4.44Å
3E79.8Confident79.9Confident148 Ų148111.3 Ų111.369%0.69251%0.513SS*.Hα-helixtrans-66.8-43.8177-170.8169.5-162.100112.8M1 E5 K6 Q7M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.41Å; E3-E5 VanDerWaalsContact C-N 3.32Å; E3-E5 PolarHBondContact O-N 3.2Å; E3-K6 WeakPolarHBondContact O-CB 3.44Å; E3-K6 PolarHBondContact O-N 3.4Å; E3-Q7 WeakPolarHBondContact O-CG 3.32Å; E3-Q7 PolarHBondContact O-N 3.15Å
4K76.1Confident80.3Confident142 Ų142108.1 Ų108.162%0.61751%0.51SS*.Hα-helixtrans-60.6-39.9172.7-70.6-170.8173.5-171.60112.1M1 Q7 N8M1-K4 PolarHBondContact O-N 2.96Å; M1-K4 VanDerWaalsContact O-N 3.09Å; K4-Q7 PolarHBondContact O-N 3.14Å; K4-N8 WeakPolarHBondContact O-CB 3.38Å; K4-N8 VanDerWaalsContact O-CG 3.26Å; K4-N8 PolarHBondContact O-N 3.37Å
5E77.4Confident80.5Confident41 Ų41105.1 Ų105.119%0.19249%0.494CS..Hα-helixtrans-60.7-45174.3-174.8-166.9161.400111.3M1 K2 E3 N8 R9 L117M1-E5 PolarHBondContact O-N 3Å; K2-E5 WeakPolarHBondContact O-CB 3.14Å; K2-E5 PolarHBondContact O-N 3.25Å; E3-E5 VanDerWaalsContact C-N 3.32Å; E3-E5 PolarHBondContact O-N 3.2Å; E5-N8 PolarHBondContact O-N 3.2Å; E5-R9 WeakPolarHBondContact O-CB 3.34Å; E5-R9 WeakPolarHBondContact O-CG 3.48Å; E5-R9 PolarHBondContact O-N 3.05Å; E5-R9 IonicContact OE1-CZ 3.42Å; E5-R9 IonicContact OE1-NE 3.79Å; E5-R9 IonicContact OE1-NH1 2.76Å; E5-R9 IonicContact OE1-NH2 2.88Å; E5-R9 PolarHBondContact OE1-NH2 3Å; E5-L117 WeakPolarHBondContact OE2-CD2 3.01Å
6K81.4Confident81Confident163 Ų163103.4 Ų103.471%0.70949%0.489SS*.Hα-helixtrans-61.7-44.7176.6-172.5-177.9177.1-173.20111.9K2 E3 R9 F10K2-K6 PolarHBondContact O-N 3.21Å; E3-K6 WeakPolarHBondContact O-CB 3.44Å; E3-K6 PolarHBondContact O-N 3.4Å; K6-R9 PolarHBondContact O-N 3.43Å; K6-F10 PolarHBondContact O-N 3.35Å
7Q79.9Confident81.3Confident117 Ų117100.6 Ų100.655%0.54749%0.487SS..Hα-helixtrans-61.6-47.6176.3-73.1173.1-21.900111.6E3 K4 R9 F10 L11E3-Q7 WeakPolarHBondContact O-CG 3.32Å; E3-Q7 PolarHBondContact O-N 3.15Å; K4-Q7 PolarHBondContact O-N 3.14Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-R9 PolarHBondContact O-N 3.14Å; Q7-F10 PolarHBondContact O-N 3.27Å; Q7-L11 PolarHBondContact O-N 3.46Å
8N79.6Confident81.4Confident56 Ų5696.9 Ų96.930%0.29948%0.476SS..Hα-helixtrans-61.2-39.7178.1-73.9-13.5000112.4K4 E5 L11 L12 I110K4-N8 WeakPolarHBondContact O-CB 3.38Å; K4-N8 VanDerWaalsContact O-CG 3.26Å; K4-N8 PolarHBondContact O-N 3.37Å; E5-N8 PolarHBondContact O-N 3.2Å; N8-L11 PolarHBondContact O-N 3.33Å; N8-L12 WeakPolarHBondContact O-CB 3.38Å; N8-L12 PolarHBondContact O-N 3.37Å; N8-I110 HydrophobicContact CB-CD1 4.33Å; N8-I110 HydrophobicContact CB-CG1 4.06Å
9R83.8Confident81.5Confident116 Ų11692.6 Ų92.644%0.43846%0.455SS..Hα-helixtrans-66.1-41.5175.4-76-179.7178-176.19.4112.2E5 K6 Q7 L12 L13 E114E5-R9 WeakPolarHBondContact O-CB 3.34Å; E5-R9 WeakPolarHBondContact O-CG 3.48Å; E5-R9 PolarHBondContact O-N 3.05Å; E5-R9 IonicContact OE1-CZ 3.42Å; E5-R9 IonicContact OE1-NE 3.79Å; E5-R9 IonicContact OE1-NH1 2.76Å; E5-R9 IonicContact OE1-NH2 2.88Å; E5-R9 PolarHBondContact OE1-NH2 3Å; K6-R9 PolarHBondContact O-N 3.43Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-R9 PolarHBondContact O-N 3.14Å; R9-L12 WeakPolarHBondContact O-CB 3.46Å; R9-L12 PolarHBondContact O-N 3.23Å; R9-L13 WeakPolarHBondContact O-CG 3.47Å; R9-L13 PolarHBondContact O-N 3.1Å; R9-E114 IonicContact CZ-OE1 3.74Å; R9-E114 IonicContact NE-OE1 2.71Å; R9-E114 PolarHBondContact NE-OE1 3.49Å; R9-E114 IonicContact NH2-OE1 2.69Å; R9-E114 PolarHBondContact NH2-OE1 2.95Å
10F84.1Confident81.9Confident153 Ų15394.1 Ų94.167%0.67146%0.46SS*.Hα-helixtrans-62.8-44175.7-174.3-95.5000111.5K6 Q7 L12 L13 S14K6-F10 PolarHBondContact O-N 3.35Å; Q7-F10 PolarHBondContact O-N 3.27Å; F10-L12 VanDerWaalsContact C-N 3.31Å; F10-L12 PolarHBondContact O-N 3.25Å; F10-L13 PolarHBondContact O-N 2.98Å; F10-S14 PolarHBondContact O-N 3.48Å
11L79.6Confident82.2Confident80 Ų8095.6 Ų95.642%0.41947%0.467SS..Hα-helixtrans-60.6-40.5174.7-177.464000112Q7 N8 S14 K15Q7-L11 PolarHBondContact O-N 3.46Å; N8-L11 PolarHBondContact O-N 3.33Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-K15 WeakPolarHBondContact O-CG 3.49Å; L11-K15 PolarHBondContact O-N 3.44Å
12L83.5Confident82.9Confident35 Ų3591.6 Ų91.618%0.18345%0.447CS..Hα-helixtrans-61.2-46.1175.4-173.374.9000111.4N8 R9 F10 S14 K15 L16 L103 N106 I110N8-L12 WeakPolarHBondContact O-CB 3.38Å; N8-L12 PolarHBondContact O-N 3.37Å; R9-L12 WeakPolarHBondContact O-CB 3.46Å; R9-L12 PolarHBondContact O-N 3.23Å; F10-L12 VanDerWaalsContact C-N 3.31Å; F10-L12 PolarHBondContact O-N 3.25Å; L12-S14 PolarHBondContact O-N 3.41Å; L12-K15 PolarHBondContact O-N 2.93Å; L12-L16 HydrophobicContact CG-CD1 4.2Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.19Å; L12-L103 HydrophobicContact CD1-CD2 3.61Å; L12-L103 HydrophobicContact CG-CD2 4.47Å; L12-N106 HydrophobicContact CD1-CB 3.89Å; L12-I110 HydrophobicContact CB-CD1 4.05Å; L12-I110 HydrophobicContact CD2-CD1 3.86Å; L12-I110 HydrophobicContact CG-CD1 4.37Å
13L85.9Confident83.4Confident113 Ų11388 Ų8859%0.59243%0.432SS*.Hα-helixtrans-62.1-42.4177.9-71171.8000112.1R9 F10 K15 L16 A17R9-L13 WeakPolarHBondContact O-CG 3.47Å; R9-L13 PolarHBondContact O-N 3.1Å; F10-L13 PolarHBondContact O-N 2.98Å; L13-K15 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 3.03Å; L13-A17 PolarHBondContact O-N 3.31Å
14S85.4Confident83.9Confident67 Ų6785.1 Ų85.147%0.46942%0.422SS..Hα-helixtrans-60.4-45.2175.6175.20000111.9F10 L11 L12 L16 A17 A18F10-S14 PolarHBondContact O-N 3.48Å; L11-S14 PolarHBondContact O-N 3.02Å; L12-S14 PolarHBondContact O-N 3.41Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.25Å; S14-A17 PolarHBondContact O-N 2.97Å; S14-A18 PolarHBondContact O-N 2.95Å
15K83.3Confident84.4Confident62 Ų6282.2 Ų82.227%0.2741%0.413SS..Hα-helixtrans-66.2-34.3176.3-70.7-176.8-175.6-1730112.8L11 L12 L13 A18 L19 L103 N106L11-K15 WeakPolarHBondContact O-CG 3.49Å; L11-K15 PolarHBondContact O-N 3.44Å; L12-K15 PolarHBondContact O-N 2.93Å; L13-K15 PolarHBondContact O-N 2.92Å; K15-A18 PolarHBondContact O-N 3.07Å; K15-L19 WeakPolarHBondContact O-CB 3.36Å; K15-L19 PolarHBondContact O-N 3.4Å; K15-L103 HydrophobicContact CB-CD2 3.52Å; K15-L103 HydrophobicContact CB-CG 4.26Å; K15-L103 HydrophobicContact CD-CD2 4.46Å; K15-N106 PolarHBondContact NZ-ND2 3Å; K15-N106 VanDerWaalsContact NZ-ND2 3.12Å
16L87.7Confident84.9Confident79 Ų7981.5 Ų81.541%0.41441%0.41SS..Hα-helixtrans-66.5-42.2174.5-75.6168.5000111.7L12 L13 S14 A18 L19 E20 L103L12-L16 HydrophobicContact CG-CD1 4.2Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.19Å; L13-L16 PolarHBondContact O-N 3.03Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.25Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.16Å; L16-E20 PolarHBondContact O-N 3.42Å; L16-L103 HydrophobicContact CD2-CD1 3.92Å; L16-L103 HydrophobicContact CD2-CD2 4.13Å; L16-L103 HydrophobicContact CG-CD2 4.01Å
17A86.8Confident85.4Confident56 Ų5679.8 Ų79.846%0.46340%0.403SS..Hα-helixtrans-63.4-40.917500000111.8L13 S14 L19 E20 Q21L13-A17 PolarHBondContact O-N 3.31Å; S14-A17 PolarHBondContact O-N 2.97Å; A17-L19 VanDerWaalsContact C-N 3.34Å; A17-E20 PolarHBondContact O-N 3.31Å; A17-Q21 PolarHBondContact O-N 2.93Å
18A82.6Confident86Confident34 Ų3479.6 Ų79.628%0.28141%0.405SS..Hα-helixtrans-61.7-42.3173.400000111.7S14 K15 L16 Q21 M22 M99S14-A18 PolarHBondContact O-N 2.95Å; K15-A18 PolarHBondContact O-N 3.07Å; L16-A18 VanDerWaalsContact C-N 3.34Å; A18-Q21 PolarHBondContact O-N 3.32Å; A18-M22 VanDerWaalsContact O-CG 3.3Å; A18-M22 WeakPolarHBondContact O-CG 3.39Å; A18-M22 PolarHBondContact O-N 3.37Å; A18-M99 HydrophobicContact CB-CE 4.19Å; A18-M99 HydrophobicContact CB-SD 4.1Å
19L83.4Confident86.4Confident15 Ų1579.1 Ų79.18%0.07940%0.402CS..Hα-helixtrans-61.8-47.1176.5-179.367.5000111.4K15 L16 A17 Q21 M22 E23 I96 M99 K100 L103K15-L19 WeakPolarHBondContact O-CB 3.36Å; K15-L19 PolarHBondContact O-N 3.4Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.16Å; A17-L19 VanDerWaalsContact C-N 3.34Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 2.92Å; L19-M22 WeakPolarHBondContact O-CB 3.47Å; L19-M22 PolarHBondContact O-N 2.97Å; L19-M22 VanDerWaalsContact O-N 3.11Å; L19-E23 HydrophobicContact CD1-CG 4.49Å; L19-E23 HydrophobicContact CG-CG 4.48Å; L19-E23 WeakPolarHBondContact O-CG 3.43Å; L19-E23 PolarHBondContact O-N 3.38Å; L19-I96 HydrophobicContact CD1-CB 4.48Å; L19-I96 HydrophobicContact CD1-CG1 4.45Å; L19-I96 HydrophobicContact CD1-CG2 4.01Å; L19-M99 VanDerWaalsContact CA-SD 3.52Å; L19-M99 HydrophobicContact CB-CG 4.27Å; L19-M99 HydrophobicContact CB-SD 3.69Å; L19-M99 HydrophobicContact CD1-CB 4.11Å; L19-M99 HydrophobicContact CD1-CG 4.12Å; L19-M99 HydrophobicContact CD1-SD 4.11Å; L19-M99 PolarHBondContact N-SD 3.02Å; L19-M99 VanDerWaalsContact N-SD 3.42Å; L19-K100 HydrophobicContact CD1-CG 3.95Å; L19-K100 HydrophobicContact CD2-CG 3.78Å; L19-L103 HydrophobicContact CB-CD1 4.03Å; L19-L103 HydrophobicContact CD2-CD1 3.55Å; L19-L103 HydrophobicContact CG-CD1 4.32Å
20E90.1Very high86.7Confident121 Ų12176.4 Ų76.457%0.56540%0.399SS*.Hα-helixtrans-59.1-42.4177.7-176.5178.9-174.300111.3L16 A17 M22 E23 N24L16-E20 PolarHBondContact O-N 3.42Å; A17-E20 PolarHBondContact O-N 3.31Å; E20-M22 VanDerWaalsContact C-N 3.35Å; E20-M22 PolarHBondContact O-N 3.42Å; E20-E23 PolarHBondContact O-N 3.1Å; E20-N24 WeakPolarHBondContact O-CB 3.43Å; E20-N24 VanDerWaalsContact O-CG 3.28Å; E20-N24 PolarHBondContact O-N 3.49Å; E20-N24 PolarHBondContact O-ND2 3.14Å
21Q88.3Confident87.2Confident127 Ų12772.1 Ų72.159%0.59338%0.383SS*.Hα-helixtrans-61.9-41.9174.5-172.3-177.73.300112A17 A18 L19 N24 N25A17-Q21 PolarHBondContact O-N 2.93Å; A18-Q21 PolarHBondContact O-N 3.32Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 2.92Å; Q21-N24 PolarHBondContact O-N 3.34Å; Q21-N25 WeakPolarHBondContact O-CB 3.48Å; Q21-N25 VanDerWaalsContact O-CG 3.24Å; Q21-N25 PolarHBondContact O-N 2.98Å; Q21-N25 PolarHBondContact O-ND2 2.95Å
22M83.9Confident87.7Confident49 Ų4974.3 Ų74.324%0.24139%0.386CS..Hα-helixtrans-65.6-41.2176.9-69.8177.569.800112.2A18 L19 E20 N25 L26 I96 M99A18-M22 VanDerWaalsContact O-CG 3.3Å; A18-M22 WeakPolarHBondContact O-CG 3.39Å; A18-M22 PolarHBondContact O-N 3.37Å; L19-M22 WeakPolarHBondContact O-CB 3.47Å; L19-M22 PolarHBondContact O-N 2.97Å; L19-M22 VanDerWaalsContact O-N 3.11Å; E20-M22 VanDerWaalsContact C-N 3.35Å; E20-M22 PolarHBondContact O-N 3.42Å; M22-N25 PolarHBondContact O-N 2.89Å; M22-L26 WeakPolarHBondContact O-CB 3.49Å; M22-L26 PolarHBondContact O-N 3.34Å; M22-I96 HydrophobicContact CB-CD1 4.23Å; M22-I96 HydrophobicContact CB-CG1 3.82Å; M22-I96 HydrophobicContact CE-CG1 4.1Å; M22-M99 HydrophobicContact SD-CE 3.34Å; M22-M99 WeakPolarHBondContact SD-CE 3.43Å; M22-M99 HydrophobicContact SD-SD 3.74Å
23E89.6Confident88Confident73 Ų7374.3 Ų74.334%0.34139%0.385SS..Hα-helixtrans-63.7-40.8175.6-72-176.815200111.7L19 E20 L26 F27 I96 K100L19-E23 HydrophobicContact CD1-CG 4.49Å; L19-E23 HydrophobicContact CG-CG 4.48Å; L19-E23 WeakPolarHBondContact O-CG 3.43Å; L19-E23 PolarHBondContact O-N 3.38Å; E20-E23 PolarHBondContact O-N 3.1Å; E23-L26 PolarHBondContact O-N 2.95Å; E23-F27 PolarHBondContact O-N 3.49Å; E23-I96 HydrophobicContact CG-CD1 4.16Å; E23-I96 HydrophobicContact CG-CG2 4.43Å; E23-K100 WeakPolarHBondContact OE1-CE 3.46Å; E23-K100 IonicContact OE1-NZ 3.82Å; E23-K100 PolarHBondContact OE1-NZ 2.94Å
24N90.1Very high88.4Confident89 Ų8974.9 Ų74.948%0.47638%0.382SS..Hα-helixtrans-63.2-42.8173.4-74.1-32.3000112E20 Q21 F27 L28E20-N24 WeakPolarHBondContact O-CB 3.43Å; E20-N24 VanDerWaalsContact O-CG 3.28Å; E20-N24 PolarHBondContact O-N 3.49Å; E20-N24 PolarHBondContact O-ND2 3.14Å; Q21-N24 PolarHBondContact O-N 3.34Å; N24-F27 WeakPolarHBondContact O-CB 3.31Å; N24-F27 PolarHBondContact O-N 3.48Å; N24-L28 WeakPolarHBondContact O-CG 3.45Å; N24-L28 PolarHBondContact O-N 3.21Å
25N86Confident88.7Confident80 Ų8077 Ų7743%0.42839%0.385SS..Hα-helixtrans-62.6-43.6174.9-73-22.2000111.5Q21 M22 F27 L28 L29Q21-N25 WeakPolarHBondContact O-CB 3.48Å; Q21-N25 VanDerWaalsContact O-CG 3.24Å; Q21-N25 PolarHBondContact O-N 2.98Å; Q21-N25 PolarHBondContact O-ND2 2.95Å; M22-N25 PolarHBondContact O-N 2.89Å; N25-F27 VanDerWaalsContact C-N 3.31Å; N25-F27 PolarHBondContact O-N 2.92Å; N25-L28 PolarHBondContact O-N 2.81Å; N25-L29 WeakPolarHBondContact O-CG 3.36Å; N25-L29 PolarHBondContact O-N 3.18Å
26L87.9Confident89Confident27 Ų2774.9 Ų74.914%0.14138%0.376CS..Hα-helixtrans-59.7-42.4175.5176.669.3000111.5M22 E23 L28 L29 T30 I89 A92 N93 I96M22-L26 WeakPolarHBondContact O-CB 3.49Å; M22-L26 PolarHBondContact O-N 3.34Å; E23-L26 PolarHBondContact O-N 2.95Å; L26-L28 PolarHBondContact O-N 3.14Å; L26-L29 PolarHBondContact O-N 3.3Å; L26-T30 WeakPolarHBondContact O-CB 3.41Å; L26-T30 PolarHBondContact O-N 2.97Å; L26-T30 PolarHBondContact O-OG1 3.25Å; L26-I89 HydrophobicContact CD1-CG2 3.97Å; L26-A92 HydrophobicContact CD1-CB 3.97Å; L26-N93 WeakPolarHBondContact CD2-OD1 3.49Å; L26-I96 HydrophobicContact CB-CD1 3.84Å; L26-I96 HydrophobicContact CD2-CD1 3.62Å; L26-I96 HydrophobicContact CG-CD1 4.29Å
27F92Very high89.1Confident127 Ų12774.4 Ų74.456%0.55737%0.372SS*.Hα-helixtrans-59.9-44.6175.9177.3-104.6000111.9E23 N24 N25 T30 N31E23-F27 PolarHBondContact O-N 3.49Å; N24-F27 WeakPolarHBondContact O-CB 3.31Å; N24-F27 PolarHBondContact O-N 3.48Å; N25-F27 VanDerWaalsContact C-N 3.31Å; N25-F27 PolarHBondContact O-N 2.92Å; F27-T30 PolarHBondContact O-N 3.03Å; F27-N31 WeakPolarHBondContact CD1-ND2 3.46Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.48Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.43Å; F27-N31 WeakPolarHBondContact O-CB 3.39Å; F27-N31 PolarHBondContact O-N 3.23Å; F27-N31 PolarHBondContact O-ND2 2.92Å
28L92.4Very high89.2Confident112 Ų11276.3 Ų76.359%0.58637%0.374SS*.Hα-helixtrans-62.2-44175.8-69.1172.6000112.2N24 N25 L26 N31 R32N24-L28 WeakPolarHBondContact O-CG 3.45Å; N24-L28 PolarHBondContact O-N 3.21Å; N25-L28 PolarHBondContact O-N 2.81Å; L26-L28 PolarHBondContact O-N 3.14Å; L28-N31 PolarHBondContact O-N 3.08Å; L28-R32 WeakPolarHBondContact O-CB 3.37Å; L28-R32 PolarHBondContact O-N 3.44Å
29L88.5Confident89.5Confident46 Ų4679 Ų7924%0.24138%0.38CS..Hα-helixtrans-62.4-44.4177-66.4172.8000111.3N25 L26 R32 Q33 L85 I89 A92N25-L29 WeakPolarHBondContact O-CG 3.36Å; N25-L29 PolarHBondContact O-N 3.18Å; L26-L29 PolarHBondContact O-N 3.3Å; L29-R32 WeakPolarHBondContact O-CB 3.5Å; L29-R32 PolarHBondContact O-N 3.33Å; L29-Q33 PolarHBondContact O-N 3.3Å; L29-L85 HydrophobicContact CB-CD1 4.1Å; L29-L85 HydrophobicContact CD2-CD1 3.53Å; L29-L85 HydrophobicContact CG-CD1 4.38Å; L29-I89 HydrophobicContact CB-CD1 4.12Å; L29-I89 HydrophobicContact CB-CG1 3.65Å; L29-I89 HydrophobicContact CD1-CG1 4.47Å; L29-A92 HydrophobicContact CD1-CB 4.39Å
30T90Very high89.7Confident60 Ų6079.4 Ų79.437%0.36838%0.383SS..Hα-helixtrans-64.8-42179.8-53.30000111.5L26 F27 R32 Q33 K34L26-T30 WeakPolarHBondContact O-CB 3.41Å; L26-T30 PolarHBondContact O-N 2.97Å; L26-T30 PolarHBondContact O-OG1 3.25Å; F27-T30 PolarHBondContact O-N 3.03Å; T30-R32 VanDerWaalsContact C-N 3.32Å; T30-R32 PolarHBondContact O-N 3.43Å; T30-Q33 WeakPolarHBondContact O-CB 3.37Å; T30-Q33 PolarHBondContact O-N 3.44Å; T30-K34 PolarHBondContact O-N 2.89Å
31N94.3Very high89.5Confident63 Ų6376.4 Ų76.434%0.33738%0.379SS..Hα-helixtrans-62.8-40.3173.3-75.7-29.3000111.9F27 L28 Q33 K34 Q35F27-N31 WeakPolarHBondContact CD1-ND2 3.46Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.48Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.43Å; F27-N31 WeakPolarHBondContact O-CB 3.39Å; F27-N31 PolarHBondContact O-N 3.23Å; F27-N31 PolarHBondContact O-ND2 2.92Å; L28-N31 PolarHBondContact O-N 3.08Å; N31-Q33 VanDerWaalsContact C-N 3.34Å; N31-K34 PolarHBondContact O-N 2.86Å; N31-Q35 WeakPolarHBondContact O-CG 3.44Å; N31-Q35 PolarHBondContact O-N 3.47Å
32R90.2Very high89.3Confident125 Ų12572.9 Ų72.947%0.47237%0.371SS..Hα-helixtrans-65.8-37.9176.3-176.759178.9161.42.2111.8L28 L29 T30 Q35 L36 L85L28-R32 WeakPolarHBondContact O-CB 3.37Å; L28-R32 PolarHBondContact O-N 3.44Å; L29-R32 WeakPolarHBondContact O-CB 3.5Å; L29-R32 PolarHBondContact O-N 3.33Å; T30-R32 VanDerWaalsContact C-N 3.32Å; T30-R32 PolarHBondContact O-N 3.43Å; R32-Q35 PolarHBondContact O-N 3.18Å; R32-L36 WeakPolarHBondContact O-CG 3.35Å; R32-L36 PolarHBondContact O-N 3.1Å; R32-L85 HydrophobicContact CB-CD2 3.91Å; R32-L85 HydrophobicContact CG-CD2 3.66Å
33Q90.6Very high89.2Confident35 Ų3572.3 Ų72.316%0.16437%0.368CS..Hα-helixtrans-59.2-50.5175.2-179.1-169.1-11.600109.8L29 T30 N31 Q35 L36 E37 L82 L85 Q86 I89L29-Q33 PolarHBondContact O-N 3.3Å; T30-Q33 WeakPolarHBondContact O-CB 3.37Å; T30-Q33 PolarHBondContact O-N 3.44Å; N31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-Q35 PolarHBondContact O-N 2.96Å; Q33-L36 PolarHBondContact O-N 3.43Å; Q33-L36 VanDerWaalsContact O-N 3.11Å; Q33-E37 HydrophobicContact CG-CG 4.4Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.47Å; Q33-E37 PolarHBondContact NE2-OE1 2.82Å; Q33-E37 WeakPolarHBondContact O-CG 3.46Å; Q33-E37 PolarHBondContact O-N 3.04Å; Q33-L82 HydrophobicContact CG-CD1 3.72Å; Q33-L85 VanDerWaalsContact CA-CD2 3.5Å; Q33-L85 HydrophobicContact CB-CD2 3.92Å; Q33-L85 HydrophobicContact CB-CG 4.31Å; Q33-L85 VanDerWaalsContact N-CD2 3.32Å; Q33-Q86 HydrophobicContact CG-CG 4.23Å; Q33-I89 HydrophobicContact CB-CD1 3.74Å; Q33-I89 HydrophobicContact CG-CD1 4.27Å
34K93.2Very high88.9Confident125 Ų12577.4 Ų77.454%0.54338%0.384SS..Hα-helixtrans-57.2-45.9177.8-174.3177.1179.3179.90112.4T30 N31 L36 E37 D38T30-K34 PolarHBondContact O-N 2.89Å; N31-K34 PolarHBondContact O-N 2.86Å; K34-L36 VanDerWaalsContact C-N 3.3Å; K34-L36 PolarHBondContact O-N 3.49Å; K34-E37 PolarHBondContact O-N 3.31Å; K34-D38 WeakPolarHBondContact O-CB 3.39Å; K34-D38 PolarHBondContact O-N 3.34Å
35Q91Very high88.3Confident112 Ų11275.5 Ų75.552%0.52338%0.381SS..Hα-helixtrans-59.3-40.1176.7-72.2174.7-0.500112.9N31 R32 Q33 F39N31-Q35 WeakPolarHBondContact O-CG 3.44Å; N31-Q35 PolarHBondContact O-N 3.47Å; R32-Q35 PolarHBondContact O-N 3.18Å; Q33-Q35 PolarHBondContact O-N 2.96Å; Q35-F39 WeakPolarHBondContact O-CB 3.4Å; Q35-F39 PolarHBondContact O-N 3.21Å
36L89.8Confident87.8Confident17 Ų1776.9 Ų76.99%0.08939%0.388CS..Hα-helixtrans-72.5-37.7178.1-70.7-179000111.8R32 Q33 K34 F39 V40 V78 L82 L85R32-L36 WeakPolarHBondContact O-CG 3.35Å; R32-L36 PolarHBondContact O-N 3.1Å; Q33-L36 PolarHBondContact O-N 3.43Å; Q33-L36 VanDerWaalsContact O-N 3.11Å; K34-L36 VanDerWaalsContact C-N 3.3Å; K34-L36 PolarHBondContact O-N 3.49Å; L36-F39 PolarHBondContact O-N 3.28Å; L36-V40 WeakPolarHBondContact O-CB 3.13Å; L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.37Å; L36-V40 PolarHBondContact O-N 3.35Å; L36-V78 HydrophobicContact CD2-CG1 4.06Å; L36-L82 HydrophobicContact CB-CD1 3.98Å; L36-L85 HydrophobicContact CD1-CD2 3.93Å
37E90.8Very high86.9Confident70 Ų7079.6 Ų79.633%0.32740%0.402SS..Hα-helixtrans-63.5-46.6174-75171.6174.700111.4Q33 K34 F39 V40 A41 L82 Q86Q33-E37 HydrophobicContact CG-CG 4.4Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.47Å; Q33-E37 PolarHBondContact NE2-OE1 2.82Å; Q33-E37 WeakPolarHBondContact O-CG 3.46Å; Q33-E37 PolarHBondContact O-N 3.04Å; K34-E37 PolarHBondContact O-N 3.31Å; E37-F39 VanDerWaalsContact C-N 3.31Å; E37-F39 PolarHBondContact O-N 3.06Å; E37-V40 PolarHBondContact O-N 2.95Å; E37-A41 WeakPolarHBondContact O-CB 3.29Å; E37-A41 PolarHBondContact O-N 2.91Å; E37-L82 HydrophobicContact CG-CD1 3.7Å; E37-L82 HydrophobicContact CG-CD2 3.73Å; E37-L82 HydrophobicContact CG-CG 4.35Å; E37-Q86 PolarHBondContact OE1-NE2 3.47Å
38D89Confident85.9Confident95 Ų9577.8 Ų77.851%0.50840%0.402SS..Hα-helixtrans-60.1-42.7175.8-70.6-21000110.7K34 A41 A42K34-D38 WeakPolarHBondContact O-CB 3.39Å; K34-D38 PolarHBondContact O-N 3.34Å; D38-A41 PolarHBondContact O-N 2.86Å; D38-A42 WeakPolarHBondContact O-CB 3.42Å; D38-A42 PolarHBondContact O-N 3.11Å
39F88.2Confident84.4Confident91 Ų9175.5 Ų75.540%0.39940%0.395SS..Hα-helixtrans-62.3-49.6174.7179-93.4000111.8Q35 L36 E37 A41 A42 E43 V78Q35-F39 WeakPolarHBondContact O-CB 3.4Å; Q35-F39 PolarHBondContact O-N 3.21Å; L36-F39 PolarHBondContact O-N 3.28Å; E37-F39 VanDerWaalsContact C-N 3.31Å; E37-F39 PolarHBondContact O-N 3.06Å; F39-A41 VanDerWaalsContact C-N 3.29Å; F39-A41 PolarHBondContact O-N 2.95Å; F39-A42 PolarHBondContact O-N 2.92Å; F39-E43 HydrophobicContact CD1-CG 4.03Å; F39-E43 HydrophobicContact CD2-CG 4.29Å; F39-E43 HydrophobicContact CE1-CG 3.63Å; F39-E43 HydrophobicContact CE2-CG 3.9Å; F39-E43 WeakPolarHBondContact CE2-OE1 3.5Å; F39-E43 HydrophobicContact CG-CG 4.36Å; F39-E43 HydrophobicContact CZ-CG 3.56Å; F39-E43 WeakPolarHBondContact CZ-OE1 3.36Å; F39-E43 WeakPolarHBondContact O-CB 3.37Å; F39-E43 VanDerWaalsContact O-CG 3.29Å; F39-E43 WeakPolarHBondContact O-CG 3.31Å; F39-E43 PolarHBondContact O-N 3.38Å; F39-V78 HydrophobicContact CD1-CG1 3.96Å; F39-V78 HydrophobicContact CD1-CG2 4.42Å; F39-V78 HydrophobicContact CE1-CG1 4.32Å; F39-V78 HydrophobicContact CE1-CG2 3.99Å
40V87.4Confident82.8Confident23 Ų2375.3 Ų75.314%0.13940%0.404CS..Hα-helixtrans-61.1-39178.4169.70000111.3L36 E37 R44 L75 V78 K79L36-V40 WeakPolarHBondContact O-CB 3.13Å; L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.37Å; L36-V40 PolarHBondContact O-N 3.35Å; E37-V40 PolarHBondContact O-N 2.95Å; V40-R44 WeakPolarHBondContact O-CB 3.34Å; V40-R44 PolarHBondContact O-N 3.32Å; V40-L75 HydrophobicContact CG1-CD1 4.42Å; V40-L75 HydrophobicContact CG2-CD1 4.3Å; V40-V78 HydrophobicContact CG2-CB 4.47Å; V40-V78 HydrophobicContact CG2-CG1 3.66Å; V40-K79 HydrophobicContact CG1-CG 4.49Å
41A87.2Confident80.8Confident58 Ų5879 Ų7948%0.47942%0.421SS..Hα-helixtrans-65.4-45.7176.500000111.9E37 D38 F39 R44 A45E37-A41 WeakPolarHBondContact O-CB 3.29Å; E37-A41 PolarHBondContact O-N 2.91Å; D38-A41 PolarHBondContact O-N 2.86Å; F39-A41 VanDerWaalsContact C-N 3.29Å; F39-A41 PolarHBondContact O-N 2.95Å; A41-R44 PolarHBondContact O-N 2.77Å; A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 2.84Å
42A83.8Confident78.4Confident53 Ų5383.5 Ų83.544%0.43844%0.44SS..Hα-helixtrans-62.2-45.9176.700000112.1D38 F39 A45 L46D38-A42 WeakPolarHBondContact O-CB 3.42Å; D38-A42 PolarHBondContact O-N 3.11Å; F39-A42 PolarHBondContact O-N 2.92Å; A42-A45 WeakPolarHBondContact O-CB 3.24Å; A42-A45 PolarHBondContact O-N 3.3Å; A42-L46 PolarHBondContact O-N 3Å
43E82.2Confident75.9Confident38 Ų3885.4 Ų85.418%0.17845%0.454CS..Hα-helixtrans-66.7-38.4178.5-66.9-60.3178.500111.8F39 A45 L46 L47 Y71 L75F39-E43 HydrophobicContact CD1-CG 4.03Å; F39-E43 HydrophobicContact CD2-CG 4.29Å; F39-E43 HydrophobicContact CE1-CG 3.63Å; F39-E43 HydrophobicContact CE2-CG 3.9Å; F39-E43 WeakPolarHBondContact CE2-OE1 3.5Å; F39-E43 HydrophobicContact CG-CG 4.36Å; F39-E43 HydrophobicContact CZ-CG 3.56Å; F39-E43 WeakPolarHBondContact CZ-OE1 3.36Å; F39-E43 WeakPolarHBondContact O-CB 3.37Å; F39-E43 VanDerWaalsContact O-CG 3.29Å; F39-E43 WeakPolarHBondContact O-CG 3.31Å; F39-E43 PolarHBondContact O-N 3.38Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 3.06Å; E43-L46 PolarHBondContact O-N 3.45Å; E43-L47 PolarHBondContact O-N 3.37Å; E43-L47 VanDerWaalsContact O-N 3.1Å; E43-Y71 VanDerWaalsContact CB-OH 3.29Å; E43-Y71 WeakPolarHBondContact CB-OH 3.43Å; E43-Y71 PolarHBondContact O-OH 2.91Å; E43-Y71 WeakPolarHBondContact OE2-CE2 3.4Å; E43-Y71 VanDerWaalsContact OE2-CZ 3.24Å; E43-Y71 PolarHBondContact OE2-OH 3.31Å; E43-L75 HydrophobicContact CB-CD1 3.99Å
44R81.5Confident73.6Confident179 Ų17987.5 Ų87.568%0.67548%0.477SS*.Hα-helixtrans-62.6-41.2173-172.4176.4-174.8174.10.8111.5V40 A41 L47 T48V40-R44 WeakPolarHBondContact O-CB 3.34Å; V40-R44 PolarHBondContact O-N 3.32Å; A41-R44 PolarHBondContact O-N 2.77Å; R44-L47 PolarHBondContact O-N 3.18Å; R44-T48 PolarHBondContact O-N 2.87Å; R44-T48 VanDerWaalsContact O-N 3.07Å; R44-T48 PolarHBondContact O-OG1 3.1Å
45A79.2Confident71.1Confident50 Ų5085.6 Ų85.641%0.41349%0.485SS..Hα-helixtrans-62.8-42.2177.400000112A41 A42 E43 T48 S49A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 2.84Å; A42-A45 WeakPolarHBondContact O-CB 3.24Å; A42-A45 PolarHBondContact O-N 3.3Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 3.06Å; A45-T48 WeakPolarHBondContact CA-OG1 3.48Å; A45-T48 PolarHBondContact O-N 3.08Å; A45-T48 PolarHBondContact O-OG1 2.97Å; A45-S49 WeakPolarHBondContact O-CB 3.3Å; A45-S49 PolarHBondContact O-N 3.44Å; A45-S49 PolarHBondContact O-OG 3.03Å; A45-S49 VanDerWaalsContact O-OG 3.05Å
46L74.8Confident68.7Low109 Ų10986.1 Ų86.157%0.57150%0.496SS*.Hα-helixtrans-61.6-41.1175-73.1171.3000112.5A42 E43 T48 S49 G50A42-L46 PolarHBondContact O-N 3Å; E43-L46 PolarHBondContact O-N 3.45Å; L46-T48 VanDerWaalsContact C-N 3.35Å; L46-S49 PolarHBondContact O-OG 3.37Å; L46-G50 PolarHBondContact O-N 3.26Å
47L69.9Low66Low84 Ų8492.4 Ų92.444%0.4453%0.528SS..Hα-helixtrans-65.5-36.5175.8-76.3176.9000112.8E43 R44 Y71 L75E43-L47 PolarHBondContact O-N 3.37Å; E43-L47 VanDerWaalsContact O-N 3.1Å; R44-L47 PolarHBondContact O-N 3.18Å; L47-Y71 HydrophobicContact CD1-CD1 4.44Å; L47-Y71 HydrophobicContact CD1-CE1 3.74Å; L47-Y71 HydrophobicContact CD2-CD1 4.01Å; L47-Y71 HydrophobicContact CD2-CE1 3.62Å; L47-Y71 HydrophobicContact CG-CD1 4.46Å; L47-Y71 HydrophobicContact CG-CE1 3.65Å; L47-L75 HydrophobicContact CD1-CD2 3.96Å
48T69.4Low63.3Low89 Ų8994.4 Ų94.455%0.54655%0.55SS..Hα-helixtrans-80-39.6179.746.20000113.2R44 A45 L46 G50 N51R44-T48 PolarHBondContact O-N 2.87Å; R44-T48 VanDerWaalsContact O-N 3.07Å; R44-T48 PolarHBondContact O-OG1 3.1Å; A45-T48 WeakPolarHBondContact CA-OG1 3.48Å; A45-T48 PolarHBondContact O-N 3.08Å; A45-T48 PolarHBondContact O-OG1 2.97Å; L46-T48 VanDerWaalsContact C-N 3.35Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 3.48Å; T48-N51 PolarHBondContact O-N 2.81Å
49S61.9Low60.7Low64 Ų6498.5 Ų98.545%0.44857%0.566SS.*Hα-helixtrans-71.3-26.4-178.864.40000112.8A45 L46 N51 E52A45-S49 WeakPolarHBondContact O-CB 3.3Å; A45-S49 PolarHBondContact O-N 3.44Å; A45-S49 PolarHBondContact O-OG 3.03Å; A45-S49 VanDerWaalsContact O-OG 3.05Å; L46-S49 PolarHBondContact O-OG 3.37Å; S49-N51 PolarHBondContact O-N 3.23Å; S49-N51 VanDerWaalsContact O-N 3.11Å; S49-E52 PolarHBondContact O-N 2.97Å; S49-E52 VanDerWaalsContact O-N 3.13Å
50G53.6Low57.9Low41 Ų4199.3 Ų99.342%0.42358%0.583SS.*THydrogen-bonded Turntrans-61.2-13.9171.600000114.7L46 T48 A54L46-G50 PolarHBondContact O-N 3.26Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 3.48Å; G50-A54 WeakPolarHBondContact O-CB 3.41Å
51N49.9Very low55.7Low137 Ų137103.2 Ų103.273%0.73361%0.609SS**THydrogen-bonded Turntrans-88.7-22.3174.5-95.55.2000114T48 S49T48-N51 PolarHBondContact O-N 2.81Å; S49-N51 PolarHBondContact O-N 3.23Å; S49-N51 VanDerWaalsContact O-N 3.11Å
52E43.3Very low53.5Low158 Ų158106.7 Ų106.774%0.73862%0.624SS**THydrogen-bonded Turntrans-101.3-19.4-171.8-70.4-171.9171.700114.4S49S49-E52 PolarHBondContact O-N 2.97Å; S49-E52 VanDerWaalsContact O-N 3.13Å
53H38.5Very low51.9Low166 Ų166107.6 Ų107.677%0.76962%0.624SS**SBendtrans-113.3-8.9178.3-72.2-2.2000115A55H53-A55 VanDerWaalsContact C-N 3.34Å
54A40.5Very low50.5Low78 Ų78108 Ų10865%0.64563%0.631SS**THydrogen-bonded Turntrans-86.2-2.1175.300000113.9G50 T56G50-A54 WeakPolarHBondContact O-CB 3.41Å; A54-T56 PolarHBondContact O-N 2.88Å
55A41.3Very low49.5Very low86 Ų86109 Ų10971%0.71164%0.64SS**THydrogen-bonded Turntrans-74.8-9.4179.100000113.9H53H53-A55 VanDerWaalsContact C-N 3.34Å
56T39.8Very low48.7Very low122 Ų122110 Ų11075%0.74864%0.644SS**THydrogen-bonded Turntrans-133.2-23.1-171.512.10000118.5A54A54-T56 PolarHBondContact O-N 2.88Å
57I34.6Very low48.2Very low149 Ų149105.8 Ų105.876%0.76463%0.627SS**SBendtrans-149.4128.7-177.1-44.7176.1000112.2
58S32.9Very low48.1Very low112 Ų112108.1 Ų108.178%0.78363%0.634SS**  trans83.2121.3157.1-159.10000118.7
59E34.2Very low48.2Very low181 Ų181112.3 Ų112.385%0.84664%0.639SS**  trans-44.4141164.7-61.3166.8157.500113.2
60S30.2Very low48.9Very low108 Ų108114.2 Ų114.276%0.75564%0.644SS**  trans77133.7163.8-166.10000117.4
61P41.2Very low49.9Very low106 Ų106115.5 Ų115.569%0.68864%0.637SS**  cis-100.7130.716.634.4-25.2000111.6V63P61-V63 PolarHBondContact O-N 3.12Å
62V41Very low51.4Low130 Ų130112.3 Ų112.379%0.78862%0.623SS**  trans-57.686.9154.8178.60000106.3S64V62-S64 PolarHBondContact O-N 3.09Å
63V51.2Low53.2Low73 Ų73111.1 Ų111.144%0.44262%0.615SS.*  trans-6195.7152.9-171.40000102.6P61 K68P61-V63 PolarHBondContact O-N 3.12Å; V63-K68 HydrophobicContact CB-CG 3.93Å; V63-K68 HydrophobicContact CG1-CB 4.34Å; V63-K68 HydrophobicContact CG1-CG 3.57Å; V63-K68 VanDerWaalsContact CG1-N 3.34Å
64S52.7Low55.2Low47 Ų47105.8 Ų105.833%0.32960%0.599SS.*  trans-45.7150.4-178.852.90000108.7V62 S66 G67 K68V62-S64 PolarHBondContact O-N 3.09Å; S64-S66 WeakPolarHBondContact CB-OG 3.5Å; S64-S66 CarbonylContact O-C 3.56Å; S64-S66 PolarHBondContact O-N 3.34Å; S64-S66 PolarHBondContact OG-OG 3.12Å; S64-G67 WeakPolarHBondContact O-CA 3.43Å; S64-G67 PolarHBondContact O-N 3.24Å; S64-G67 PolarHBondContact OG-N 2.91Å; S64-K68 PolarHBondContact O-N 2.87Å
65K60.1Low57.3Low200 Ų200102.8 Ų102.887%0.8757%0.572SS**Hα-helixtrans-48.4-31.9173.7-74.2-178.9177.1177.50111R69K65-R69 WeakPolarHBondContact O-CB 3.36Å; K65-R69 PolarHBondContact O-N 2.96Å
66S61.4Low59.6Low69 Ų69103 Ų10348%0.48356%0.559SS.*Hα-helixtrans-69.6-44.4170.351.90000114.2S64 K68 R69 N70S64-S66 WeakPolarHBondContact CB-OG 3.5Å; S64-S66 CarbonylContact O-C 3.56Å; S64-S66 PolarHBondContact O-N 3.34Å; S64-S66 PolarHBondContact OG-OG 3.12Å; S66-K68 PolarHBondContact O-N 2.96Å; S66-R69 PolarHBondContact O-N 3.46Å; S66-N70 WeakPolarHBondContact O-CB 3.35Å; S66-N70 VanDerWaalsContact O-CG 3.27Å; S66-N70 PolarHBondContact O-N 2.98Å
67G63.9Low61.9Low21 Ų21103.9 Ų103.922%0.21655%0.552CS.*Hα-helixtrans-57.3-44.9173.300000113S64 R69 N70 Y71S64-G67 WeakPolarHBondContact O-CA 3.43Å; S64-G67 PolarHBondContact O-N 3.24Å; S64-G67 PolarHBondContact OG-N 2.91Å; G67-R69 VanDerWaalsContact C-N 3.34Å; G67-R69 PolarHBondContact O-N 3.42Å; G67-N70 PolarHBondContact O-N 3.34Å; G67-Y71 VanDerWaalsContact O-CB 3.25Å; G67-Y71 WeakPolarHBondContact O-CB 3.47Å; G67-Y71 PolarHBondContact O-N 2.9Å
68K68.6Low64.4Low134 Ų13498 Ų9858%0.58352%0.523SS*.Hα-helixtrans-63.3-42.5176-71.1-171.2179.6-1740110.6V63 S64 S66 Y71 V72V63-K68 HydrophobicContact CB-CG 3.93Å; V63-K68 HydrophobicContact CG1-CB 4.34Å; V63-K68 HydrophobicContact CG1-CG 3.57Å; V63-K68 VanDerWaalsContact CG1-N 3.34Å; S64-K68 PolarHBondContact O-N 2.87Å; S66-K68 PolarHBondContact O-N 2.96Å; K68-Y71 PolarHBondContact O-N 3.12Å; K68-V72 VanDerWaalsContact O-CG2 3.27Å; K68-V72 WeakPolarHBondContact O-CG2 3.36Å; K68-V72 PolarHBondContact O-N 3.49Å
69R72.5Confident67Low176 Ų17696.3 Ų96.366%0.66450%0.502SS*.Hα-helixtrans-65.3-42.5178.3-164.1179.1-161-177.85.6112.5K65 S66 G67 Y71 K73K65-R69 WeakPolarHBondContact O-CB 3.36Å; K65-R69 PolarHBondContact O-N 2.96Å; S66-R69 PolarHBondContact O-N 3.46Å; G67-R69 VanDerWaalsContact C-N 3.34Å; G67-R69 PolarHBondContact O-N 3.42Å; R69-Y71 VanDerWaalsContact C-N 3.34Å; R69-K73 WeakPolarHBondContact O-CG 3.5Å; R69-K73 PolarHBondContact O-N 3.15Å
70N75.3Confident69.6Low104 Ų10491 Ų9156%0.55648%0.482SS*.Hα-helixtrans-66.1-40177.4-72.1-10.5000111.2S66 G67 K73 A74S66-N70 WeakPolarHBondContact O-CB 3.35Å; S66-N70 VanDerWaalsContact O-CG 3.27Å; S66-N70 PolarHBondContact O-N 2.98Å; G67-N70 PolarHBondContact O-N 3.34Å; N70-K73 PolarHBondContact O-N 3.49Å; N70-A74 PolarHBondContact O-N 3.48Å
71Y75.6Confident72.3Confident68 Ų6889.2 Ų89.227%0.26746%0.464SS..Hα-helixtrans-66.2-45.2176.5179.5-86.3000112.2E43 L47 G67 K68 R69 K73 A74 L75E43-Y71 VanDerWaalsContact CB-OH 3.29Å; E43-Y71 WeakPolarHBondContact CB-OH 3.43Å; E43-Y71 PolarHBondContact O-OH 2.91Å; E43-Y71 WeakPolarHBondContact OE2-CE2 3.4Å; E43-Y71 VanDerWaalsContact OE2-CZ 3.24Å; E43-Y71 PolarHBondContact OE2-OH 3.31Å; L47-Y71 HydrophobicContact CD1-CD1 4.44Å; L47-Y71 HydrophobicContact CD1-CE1 3.74Å; L47-Y71 HydrophobicContact CD2-CD1 4.01Å; L47-Y71 HydrophobicContact CD2-CE1 3.62Å; L47-Y71 HydrophobicContact CG-CD1 4.46Å; L47-Y71 HydrophobicContact CG-CE1 3.65Å; G67-Y71 VanDerWaalsContact O-CB 3.25Å; G67-Y71 WeakPolarHBondContact O-CB 3.47Å; G67-Y71 PolarHBondContact O-N 2.9Å; K68-Y71 PolarHBondContact O-N 3.12Å; R69-Y71 VanDerWaalsContact C-N 3.34Å; Y71-K73 VanDerWaalsContact C-N 3.29Å; Y71-K73 PolarHBondContact O-N 3.17Å; Y71-A74 WeakPolarHBondContact O-CB 3.46Å; Y71-A74 PolarHBondContact O-N 3.35Å; Y71-A74 VanDerWaalsContact O-N 3.09Å; Y71-L75 PolarHBondContact O-N 3.46Å
72V80Confident74.5Confident71 Ų7185 Ų8543%0.4344%0.436SS..Hα-helixtrans-58.4-42.2173.7169.80000111K68 A74 L75 E76K68-V72 VanDerWaalsContact O-CG2 3.27Å; K68-V72 WeakPolarHBondContact O-CG2 3.36Å; K68-V72 PolarHBondContact O-N 3.49Å; V72-A74 PolarHBondContact O-N 2.98Å; V72-L75 PolarHBondContact O-N 3.42Å; V72-E76 WeakPolarHBondContact O-CG 3.4Å; V72-E76 PolarHBondContact O-N 3.4Å
73K81.7Confident76.9Confident132 Ų13282.2 Ų82.257%0.57442%0.421SS*.Hα-helixtrans-62.3-40.3174.5-75.2-179.5176.7-170.10112.7R69 N70 Y71 E76 K77R69-K73 WeakPolarHBondContact O-CG 3.5Å; R69-K73 PolarHBondContact O-N 3.15Å; N70-K73 PolarHBondContact O-N 3.49Å; Y71-K73 VanDerWaalsContact C-N 3.29Å; Y71-K73 PolarHBondContact O-N 3.17Å; K73-E76 PolarHBondContact O-N 2.86Å; K73-K77 PolarHBondContact O-N 2.94Å
74A79.8Confident78.6Confident54 Ų5484.6 Ų84.645%0.44643%0.426SS..Hα-helixtrans-65.1-42.6176.800000111.5N70 Y71 V72 K77 V78N70-A74 PolarHBondContact O-N 3.48Å; Y71-A74 WeakPolarHBondContact O-CB 3.46Å; Y71-A74 PolarHBondContact O-N 3.35Å; Y71-A74 VanDerWaalsContact O-N 3.09Å; V72-A74 PolarHBondContact O-N 2.98Å; A74-K77 WeakPolarHBondContact O-CB 3.47Å; A74-K77 PolarHBondContact O-N 3.41Å; A74-V78 WeakPolarHBondContact O-CG2 3.47Å; A74-V78 PolarHBondContact O-N 3.02Å
75L85.9Confident80.3Confident15 Ų1583 Ų838%0.07941%0.413CS..Hα-helixtrans-63.3-43.2175.6-175.664.9000111.9V40 E43 L47 Y71 V72 K77 V78 K79V40-L75 HydrophobicContact CG1-CD1 4.42Å; V40-L75 HydrophobicContact CG2-CD1 4.3Å; E43-L75 HydrophobicContact CB-CD1 3.99Å; L47-L75 HydrophobicContact CD1-CD2 3.96Å; Y71-L75 PolarHBondContact O-N 3.46Å; V72-L75 PolarHBondContact O-N 3.42Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 2.94Å; L75-V78 PolarHBondContact O-N 3.07Å; L75-K79 WeakPolarHBondContact O-CG 3.46Å; L75-K79 PolarHBondContact O-N 3.28Å
76E88.1Confident81.6Confident90 Ų9076.9 Ų76.942%0.42139%0.388SS..Hα-helixtrans-61.3-39.9174.6-75.6-53.9137.800112V72 K73 V78 K79 V80V72-E76 WeakPolarHBondContact O-CG 3.4Å; V72-E76 PolarHBondContact O-N 3.4Å; K73-E76 PolarHBondContact O-N 2.86Å; E76-V78 VanDerWaalsContact C-N 3.32Å; E76-V78 PolarHBondContact O-N 3.49Å; E76-K79 PolarHBondContact O-N 3.47Å; E76-K79 IonicContact OE1-NZ 3.54Å; E76-K79 PolarHBondContact OE1-NZ 3.05Å; E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.32Å
77K89.2Confident82.8Confident141 Ų14178.5 Ų78.561%0.61339%0.391SS*.Hα-helixtrans-58.5-44.7173.1-174-177.9176.7-1750111.7K73 A74 L75 K79 V80 D81K73-K77 PolarHBondContact O-N 2.94Å; A74-K77 WeakPolarHBondContact O-CB 3.47Å; A74-K77 PolarHBondContact O-N 3.41Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 2.94Å; K77-K79 PolarHBondContact O-N 2.94Å; K77-V80 PolarHBondContact O-N 2.91Å; K77-D81 PolarHBondContact O-N 2.84Å
78V87.5Confident83.8Confident26 Ų2684.8 Ų84.816%0.15841%0.408CS..Hα-helixtrans-65.1-38.5178.1176.80000112L36 F39 V40 A74 L75 E76 V80 D81 L82L36-V78 HydrophobicContact CD2-CG1 4.06Å; F39-V78 HydrophobicContact CD1-CG1 3.96Å; F39-V78 HydrophobicContact CD1-CG2 4.42Å; F39-V78 HydrophobicContact CE1-CG1 4.32Å; F39-V78 HydrophobicContact CE1-CG2 3.99Å; V40-V78 HydrophobicContact CG2-CB 4.47Å; V40-V78 HydrophobicContact CG2-CG1 3.66Å; A74-V78 WeakPolarHBondContact O-CG2 3.47Å; A74-V78 PolarHBondContact O-N 3.02Å; L75-V78 PolarHBondContact O-N 3.07Å; E76-V78 VanDerWaalsContact C-N 3.32Å; E76-V78 PolarHBondContact O-N 3.49Å; V78-V80 VanDerWaalsContact C-N 3.35Å; V78-V80 PolarHBondContact O-N 3.45Å; V78-D81 PolarHBondContact O-N 3.36Å; V78-L82 WeakPolarHBondContact O-CB 3.48Å; V78-L82 PolarHBondContact O-N 3.49Å
79K87.9Confident84.3Confident76 Ų7679 Ų7933%0.3338%0.383SS..Hα-helixtrans-63.5-39.5174.4-70.3177.1-173.5169.90112.5V40 L75 E76 K77 L82 S83V40-K79 HydrophobicContact CG1-CG 4.49Å; L75-K79 WeakPolarHBondContact O-CG 3.46Å; L75-K79 PolarHBondContact O-N 3.28Å; E76-K79 PolarHBondContact O-N 3.47Å; E76-K79 IonicContact OE1-NZ 3.54Å; E76-K79 PolarHBondContact OE1-NZ 3.05Å; K77-K79 PolarHBondContact O-N 2.94Å; K79-L82 PolarHBondContact O-N 3.36Å; K79-S83 PolarHBondContact O-N 3.17Å; K79-S83 PolarHBondContact O-OG 3.34Å
80V87.6Confident84.9Confident71 Ų7175.1 Ų75.143%0.4338%0.379SS..Hα-helixtrans-63.7-45174.2171.30000110.3E76 K77 V78 L82 S83 K84E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.32Å; K77-V80 PolarHBondContact O-N 2.91Å; V78-V80 VanDerWaalsContact C-N 3.35Å; V78-V80 PolarHBondContact O-N 3.45Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.19Å; V80-S83 PolarHBondContact O-N 2.9Å; V80-K84 HydrophobicContact CG1-CD 4.35Å; V80-K84 WeakPolarHBondContact O-CG 3.49Å; V80-K84 PolarHBondContact O-N 2.91Å
81D87Confident85.2Confident69 Ų6975.4 Ų75.437%0.36938%0.377SS..Hα-helixtrans-63.1-39.1177-70.6-21000111.8K77 V78 K84 L85K77-D81 PolarHBondContact O-N 2.84Å; V78-D81 PolarHBondContact O-N 3.36Å; D81-K84 PolarHBondContact O-N 3.13Å; D81-L85 WeakPolarHBondContact O-CB 3.37Å; D81-L85 PolarHBondContact O-N 3.42Å
82L88.2Confident85.3Confident19 Ų1973.2 Ų73.210%0.09937%0.373CS..Hα-helixtrans-62.4-44.8173.6178.264.1000111.7Q33 L36 E37 V78 K79 V80 K84 L85 Q86Q33-L82 HydrophobicContact CG-CD1 3.72Å; L36-L82 HydrophobicContact CB-CD1 3.98Å; E37-L82 HydrophobicContact CG-CD1 3.7Å; E37-L82 HydrophobicContact CG-CD2 3.73Å; E37-L82 HydrophobicContact CG-CG 4.35Å; V78-L82 WeakPolarHBondContact O-CB 3.48Å; V78-L82 PolarHBondContact O-N 3.49Å; K79-L82 PolarHBondContact O-N 3.36Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.19Å; L82-K84 PolarHBondContact O-N 3.39Å; L82-L85 WeakPolarHBondContact O-CB 3.44Å; L82-L85 PolarHBondContact O-N 2.97Å; L82-Q86 WeakPolarHBondContact O-CG 3.48Å; L82-Q86 PolarHBondContact O-N 3Å
83S90Very high85.4Confident70 Ų7073.4 Ų73.449%0.4937%0.371SS..Hα-helixtrans-63.5-42.2178.4-550000111.6K79 V80 L85 Q86 L87K79-S83 PolarHBondContact O-N 3.17Å; K79-S83 PolarHBondContact O-OG 3.34Å; V80-S83 PolarHBondContact O-N 2.9Å; S83-L85 VanDerWaalsContact C-N 3.31Å; S83-L85 PolarHBondContact O-N 3.44Å; S83-Q86 PolarHBondContact O-N 2.71Å; S83-L87 PolarHBondContact O-N 2.94Å
84K88.3Confident85.4Confident123 Ų12369.7 Ų69.754%0.53537%0.366SS..Hα-helixtrans-62-39.6173.5-72.7177.6180-179.70111.9V80 D81 L82 L87 R88V80-K84 HydrophobicContact CG1-CD 4.35Å; V80-K84 WeakPolarHBondContact O-CG 3.49Å; V80-K84 PolarHBondContact O-N 2.91Å; D81-K84 PolarHBondContact O-N 3.13Å; L82-K84 PolarHBondContact O-N 3.39Å; K84-L87 PolarHBondContact O-N 2.98Å; K84-R88 WeakPolarHBondContact O-CG 3.49Å; K84-R88 PolarHBondContact O-N 3.1Å
85L86.8Confident85.4Confident13 Ų1370 Ų707%0.06836%0.364CS..Hα-helixtrans-67.8-42.8178.3-177.159.8000112L29 R32 Q33 L36 D81 L82 S83 L87 R88 I89L29-L85 HydrophobicContact CB-CD1 4.1Å; L29-L85 HydrophobicContact CD2-CD1 3.53Å; L29-L85 HydrophobicContact CG-CD1 4.38Å; R32-L85 HydrophobicContact CB-CD2 3.91Å; R32-L85 HydrophobicContact CG-CD2 3.66Å; Q33-L85 VanDerWaalsContact CA-CD2 3.5Å; Q33-L85 HydrophobicContact CB-CD2 3.92Å; Q33-L85 HydrophobicContact CB-CG 4.31Å; Q33-L85 VanDerWaalsContact N-CD2 3.32Å; L36-L85 HydrophobicContact CD1-CD2 3.93Å; D81-L85 WeakPolarHBondContact O-CB 3.37Å; D81-L85 PolarHBondContact O-N 3.42Å; L82-L85 WeakPolarHBondContact O-CB 3.44Å; L82-L85 PolarHBondContact O-N 2.97Å; S83-L85 VanDerWaalsContact C-N 3.31Å; S83-L85 PolarHBondContact O-N 3.44Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.39Å; L85-R88 WeakPolarHBondContact O-CB 3.45Å; L85-R88 PolarHBondContact O-N 2.69Å; L85-I89 HydrophobicContact CG-CD1 4.2Å; L85-I89 WeakPolarHBondContact O-CG1 3.48Å; L85-I89 PolarHBondContact O-N 3.44Å
86Q88.2Confident85.1Confident73 Ų7369.7 Ų69.734%0.34136%0.363SS..Hα-helixtrans-58.2-43.9173.7-75173.1-15.400111.4Q33 E37 L82 S83 R88 I89 V90Q33-Q86 HydrophobicContact CG-CG 4.23Å; E37-Q86 PolarHBondContact OE1-NE2 3.47Å; L82-Q86 WeakPolarHBondContact O-CG 3.48Å; L82-Q86 PolarHBondContact O-N 3Å; S83-Q86 PolarHBondContact O-N 2.71Å; Q86-R88 PolarHBondContact O-N 3.01Å; Q86-I89 WeakPolarHBondContact O-CB 3.35Å; Q86-I89 PolarHBondContact O-N 3.2Å; Q86-V90 WeakPolarHBondContact O-CG2 3.42Å; Q86-V90 PolarHBondContact O-N 2.96Å
87L87.5Confident84.9Confident102 Ų10268.2 Ų68.253%0.53437%0.366SS..Hα-helixtrans-60.6-44.4175-176.862.8000112.1S83 K84 L85 I89 V90 Q91S83-L87 PolarHBondContact O-N 2.94Å; K84-L87 PolarHBondContact O-N 2.98Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.39Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 PolarHBondContact O-N 3.3Å; L87-V90 PolarHBondContact O-N 3.36Å; L87-Q91 WeakPolarHBondContact O-CG 3.33Å; L87-Q91 PolarHBondContact O-N 2.86Å
88R84Confident84.6Confident153 Ų15365.3 Ų65.358%0.57736%0.36SS*.Hα-helixtrans-61.2-36.1175.4-73177.7-177.2-179.6-0.1112.6K84 L85 Q86 Q91 A92K84-R88 WeakPolarHBondContact O-CG 3.49Å; K84-R88 PolarHBondContact O-N 3.1Å; L85-R88 WeakPolarHBondContact O-CB 3.45Å; L85-R88 PolarHBondContact O-N 2.69Å; Q86-R88 PolarHBondContact O-N 3.01Å; R88-Q91 PolarHBondContact O-N 2.94Å; R88-A92 VanDerWaalsContact O-CB 3.28Å; R88-A92 WeakPolarHBondContact O-CB 3.49Å; R88-A92 PolarHBondContact O-N 3.01Å
89I80.3Confident84.2Confident13 Ų1366.2 Ų66.27%0.06736%0.363CS..Hα-helixtrans-67.2-43176.5-72.5167.3000110.8L26 L29 Q33 L85 Q86 L87 A92 N93L26-I89 HydrophobicContact CD1-CG2 3.97Å; L29-I89 HydrophobicContact CB-CD1 4.12Å; L29-I89 HydrophobicContact CB-CG1 3.65Å; L29-I89 HydrophobicContact CD1-CG1 4.47Å; Q33-I89 HydrophobicContact CB-CD1 3.74Å; Q33-I89 HydrophobicContact CG-CD1 4.27Å; L85-I89 HydrophobicContact CG-CD1 4.2Å; L85-I89 WeakPolarHBondContact O-CG1 3.48Å; L85-I89 PolarHBondContact O-N 3.44Å; Q86-I89 WeakPolarHBondContact O-CB 3.35Å; Q86-I89 PolarHBondContact O-N 3.2Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 PolarHBondContact O-N 3.3Å; I89-A92 PolarHBondContact O-N 3.4Å; I89-N93 WeakPolarHBondContact O-CB 3.48Å; I89-N93 PolarHBondContact O-N 2.95Å; I89-N93 PolarHBondContact O-ND2 3.41Å
90V84.4Confident84Confident95 Ų9567.3 Ų67.358%0.57637%0.368SS*.Hα-helixtrans-60.4-46.5174.5173.10000110.8Q86 L87 A92 N93 A94Q86-V90 WeakPolarHBondContact O-CG2 3.42Å; Q86-V90 PolarHBondContact O-N 2.96Å; L87-V90 PolarHBondContact O-N 3.36Å; V90-A92 PolarHBondContact O-N 3.24Å; V90-N93 PolarHBondContact O-N 3.47Å; V90-A94 PolarHBondContact O-N 2.97Å
91Q81.7Confident83.9Confident109 Ų10967.1 Ų67.151%0.50937%0.369SS..Hα-helixtrans-61.5-44.4176.5-70.9172.4-26.100112L87 R88 N93 A94 S95L87-Q91 WeakPolarHBondContact O-CG 3.33Å; L87-Q91 PolarHBondContact O-N 2.86Å; R88-Q91 PolarHBondContact O-N 2.94Å; Q91-N93 PolarHBondContact O-N 2.95Å; Q91-A94 PolarHBondContact O-N 2.91Å; Q91-S95 PolarHBondContact O-N 2.96Å; Q91-S95 PolarHBondContact O-OG 3.19Å; Q91-S95 VanDerWaalsContact O-OG 3.09Å
92A78.3Confident83.6Confident22 Ų2269 Ų6918%0.18237%0.374CS..Hα-helixtrans-62.6-43177.400000112L26 L29 R88 I89 V90 S95 I96L26-A92 HydrophobicContact CD1-CB 3.97Å; L29-A92 HydrophobicContact CD1-CB 4.39Å; R88-A92 VanDerWaalsContact O-CB 3.28Å; R88-A92 WeakPolarHBondContact O-CB 3.49Å; R88-A92 PolarHBondContact O-N 3.01Å; I89-A92 PolarHBondContact O-N 3.4Å; V90-A92 PolarHBondContact O-N 3.24Å; A92-S95 PolarHBondContact O-N 3.21Å; A92-I96 WeakPolarHBondContact O-CB 3.48Å; A92-I96 WeakPolarHBondContact O-CG1 3.41Å; A92-I96 PolarHBondContact O-N 2.96Å
93N81.3Confident83.4Confident75 Ų7568.7 Ų68.740%0.40137%0.373SS..Hα-helixtrans-60.1-45.1175-82.1-38.6000112.1L26 I89 V90 Q91 I96 A97L26-N93 WeakPolarHBondContact CD2-OD1 3.49Å; I89-N93 WeakPolarHBondContact O-CB 3.48Å; I89-N93 PolarHBondContact O-N 2.95Å; I89-N93 PolarHBondContact O-ND2 3.41Å; V90-N93 PolarHBondContact O-N 3.47Å; Q91-N93 PolarHBondContact O-N 2.95Å; N93-I96 PolarHBondContact O-N 3.44Å; N93-A97 WeakPolarHBondContact O-CB 2.96Å; N93-A97 PolarHBondContact O-N 2.86Å
94A81Confident83.3Confident55 Ų5570.4 Ų70.446%0.45537%0.373SS..Hα-helixtrans-60.4-47.2176.800000111.2V90 Q91 I96 A97 V98V90-A94 PolarHBondContact O-N 2.97Å; Q91-A94 PolarHBondContact O-N 2.91Å; A94-I96 PolarHBondContact O-N 3.39Å; A94-A97 WeakPolarHBondContact O-CB 3.39Å; A94-A97 PolarHBondContact O-N 3.09Å; A94-V98 WeakPolarHBondContact O-CG2 3.46Å; A94-V98 PolarHBondContact O-N 2.99Å
95S79.9Confident83Confident60 Ų6070 Ų7042%0.4237%0.374SS..Hα-helixtrans-63.7-38.6178.7-58.80000112.8Q91 A92 V98 M99Q91-S95 PolarHBondContact O-N 2.96Å; Q91-S95 PolarHBondContact O-OG 3.19Å; Q91-S95 VanDerWaalsContact O-OG 3.09Å; A92-S95 PolarHBondContact O-N 3.21Å; S95-V98 PolarHBondContact O-N 3.34Å; S95-M99 WeakPolarHBondContact O-CB 3.46Å; S95-M99 PolarHBondContact O-N 2.9Å
96I80.8Confident82.8Confident9 Ų971.3 Ų71.35%0.04638%0.382CS..Hα-helixtrans-62.5-44.3173.2-76.2165.4000110.8L19 M22 E23 L26 A92 N93 A94 V98 M99 K100L19-I96 HydrophobicContact CD1-CB 4.48Å; L19-I96 HydrophobicContact CD1-CG1 4.45Å; L19-I96 HydrophobicContact CD1-CG2 4.01Å; M22-I96 HydrophobicContact CB-CD1 4.23Å; M22-I96 HydrophobicContact CB-CG1 3.82Å; M22-I96 HydrophobicContact CE-CG1 4.1Å; E23-I96 HydrophobicContact CG-CD1 4.16Å; E23-I96 HydrophobicContact CG-CG2 4.43Å; L26-I96 HydrophobicContact CB-CD1 3.84Å; L26-I96 HydrophobicContact CD2-CD1 3.62Å; L26-I96 HydrophobicContact CG-CD1 4.29Å; A92-I96 WeakPolarHBondContact O-CB 3.48Å; A92-I96 WeakPolarHBondContact O-CG1 3.41Å; A92-I96 PolarHBondContact O-N 2.96Å; N93-I96 PolarHBondContact O-N 3.44Å; A94-I96 PolarHBondContact O-N 3.39Å; I96-V98 PolarHBondContact O-N 3.24Å; I96-M99 PolarHBondContact O-N 3.12Å; I96-K100 HydrophobicContact CG2-CD 4.05Å; I96-K100 HydrophobicContact CG2-CG 4.43Å; I96-K100 WeakPolarHBondContact O-CB 3.43Å; I96-K100 WeakPolarHBondContact O-CG 3.47Å; I96-K100 PolarHBondContact O-N 3.26Å
97A83.7Confident82.6Confident58 Ų5873.1 Ų73.148%0.47939%0.388SS..Hα-helixtrans-61.7-43.7178.500000111.8N93 A94 M99 K100 S101N93-A97 WeakPolarHBondContact O-CB 2.96Å; N93-A97 PolarHBondContact O-N 2.86Å; A94-A97 WeakPolarHBondContact O-CB 3.39Å; A94-A97 PolarHBondContact O-N 3.09Å; A97-M99 PolarHBondContact O-N 3.07Å; A97-K100 PolarHBondContact O-N 3.23Å; A97-S101 WeakPolarHBondContact O-CB 3.41Å; A97-S101 PolarHBondContact O-N 3.42Å
98V82Confident82.5Confident81 Ų8171.1 Ų71.149%0.49138%0.383SS..Hα-helixtrans-61.1-44.8174.6174.90000111A94 S95 I96 S101 K102A94-V98 WeakPolarHBondContact O-CG2 3.46Å; A94-V98 PolarHBondContact O-N 2.99Å; S95-V98 PolarHBondContact O-N 3.34Å; I96-V98 PolarHBondContact O-N 3.24Å; V98-S101 PolarHBondContact O-N 3.28Å; V98-K102 HydrophobicContact CG1-CD 4.25Å; V98-K102 WeakPolarHBondContact O-CG 3.22Å; V98-K102 PolarHBondContact O-N 3.42Å
99M79.5Confident82.4Confident45 Ų4566.5 Ų66.522%0.22237%0.374CS..Hα-helixtrans-66-40.8179.8-171.5171.8-71.500112.2A18 L19 M22 S95 I96 A97 K102 L103A18-M99 HydrophobicContact CB-CE 4.19Å; A18-M99 HydrophobicContact CB-SD 4.1Å; L19-M99 VanDerWaalsContact CA-SD 3.52Å; L19-M99 HydrophobicContact CB-CG 4.27Å; L19-M99 HydrophobicContact CB-SD 3.69Å; L19-M99 HydrophobicContact CD1-CB 4.11Å; L19-M99 HydrophobicContact CD1-CG 4.12Å; L19-M99 HydrophobicContact CD1-SD 4.11Å; L19-M99 PolarHBondContact N-SD 3.02Å; L19-M99 VanDerWaalsContact N-SD 3.42Å; M22-M99 HydrophobicContact SD-CE 3.34Å; M22-M99 WeakPolarHBondContact SD-CE 3.43Å; M22-M99 HydrophobicContact SD-SD 3.74Å; S95-M99 WeakPolarHBondContact O-CB 3.46Å; S95-M99 PolarHBondContact O-N 2.9Å; I96-M99 PolarHBondContact O-N 3.12Å; A97-M99 PolarHBondContact O-N 3.07Å; M99-K102 PolarHBondContact O-N 3.38Å; M99-L103 HydrophobicContact CG-CD1 4.24Å; M99-L103 WeakPolarHBondContact O-CB 3.41Å; M99-L103 WeakPolarHBondContact O-CG 3.27Å; M99-L103 PolarHBondContact O-N 3.47Å
100K84Confident82.6Confident99 Ų9966.8 Ų66.843%0.4338%0.375SS..Hα-helixtrans-59.7-45173.1-77.1-179.2176.8177.60111.9L19 E23 I96 A97 L103 E104L19-K100 HydrophobicContact CD1-CG 3.95Å; L19-K100 HydrophobicContact CD2-CG 3.78Å; E23-K100 WeakPolarHBondContact OE1-CE 3.46Å; E23-K100 IonicContact OE1-NZ 3.82Å; E23-K100 PolarHBondContact OE1-NZ 2.94Å; I96-K100 HydrophobicContact CG2-CD 4.05Å; I96-K100 HydrophobicContact CG2-CG 4.43Å; I96-K100 WeakPolarHBondContact O-CB 3.43Å; I96-K100 WeakPolarHBondContact O-CG 3.47Å; I96-K100 PolarHBondContact O-N 3.26Å; A97-K100 PolarHBondContact O-N 3.23Å; K100-L103 PolarHBondContact O-N 2.94Å; K100-E104 PolarHBondContact O-N 3.23Å
101S84.8Confident82.7Confident67 Ų6767.1 Ų67.147%0.46937%0.371SS..Hα-helixtrans-60.3-47.5175.7179.60000111.7A97 V98 L103 E104 M105A97-S101 WeakPolarHBondContact O-CB 3.41Å; A97-S101 PolarHBondContact O-N 3.42Å; V98-S101 PolarHBondContact O-N 3.28Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 3.2Å; S101-E104 PolarHBondContact O-N 3.01Å; S101-M105 WeakPolarHBondContact O-CG 3.43Å; S101-M105 PolarHBondContact O-N 3.49Å; S101-M105 VanDerWaalsContact O-N 3.07Å
102K82.1Confident83Confident109 Ų10965.9 Ų65.947%0.47437%0.367SS..Hα-helixtrans-59.4-38.2175.3-72.6-179.6180-176.10112.6V98 M99 M105 N106V98-K102 HydrophobicContact CG1-CD 4.25Å; V98-K102 WeakPolarHBondContact O-CG 3.22Å; V98-K102 PolarHBondContact O-N 3.42Å; M99-K102 PolarHBondContact O-N 3.38Å; K102-M105 HydrophobicContact CB-CE 4.47Å; K102-M105 HydrophobicContact CG-CE 4.13Å; K102-N106 WeakPolarHBondContact O-CB 3.44Å; K102-N106 PolarHBondContact O-N 3Å
103L84Confident83.3Confident12 Ų1267.7 Ų67.76%0.06337%0.374CS..Hα-helixtrans-67-41.3177.3-80.7166000112.2L12 K15 L16 L19 M99 K100 S101 N106 K107L12-L103 HydrophobicContact CD1-CD2 3.61Å; L12-L103 HydrophobicContact CG-CD2 4.47Å; K15-L103 HydrophobicContact CB-CD2 3.52Å; K15-L103 HydrophobicContact CB-CG 4.26Å; K15-L103 HydrophobicContact CD-CD2 4.46Å; L16-L103 HydrophobicContact CD2-CD1 3.92Å; L16-L103 HydrophobicContact CD2-CD2 4.13Å; L16-L103 HydrophobicContact CG-CD2 4.01Å; L19-L103 HydrophobicContact CB-CD1 4.03Å; L19-L103 HydrophobicContact CD2-CD1 3.55Å; L19-L103 HydrophobicContact CG-CD1 4.32Å; M99-L103 HydrophobicContact CG-CD1 4.24Å; M99-L103 WeakPolarHBondContact O-CB 3.41Å; M99-L103 WeakPolarHBondContact O-CG 3.27Å; M99-L103 PolarHBondContact O-N 3.47Å; K100-L103 PolarHBondContact O-N 2.94Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 3.2Å; L103-N106 WeakPolarHBondContact O-CB 3.06Å; L103-N106 PolarHBondContact O-N 2.91Å; L103-K107 WeakPolarHBondContact O-CB 3.45Å; L103-K107 PolarHBondContact O-N 3.42Å
104E86.4Confident83.6Confident106 Ų10666.8 Ų66.850%0.49537%0.367SS..Hα-helixtrans-67-38.3178.2-166.459.8-157.600111.9K100 S101 K107 S108K100-E104 PolarHBondContact O-N 3.23Å; S101-E104 PolarHBondContact O-N 3.01Å; E104-K107 PolarHBondContact O-N 2.92Å; E104-S108 WeakPolarHBondContact O-CB 3.26Å; E104-S108 PolarHBondContact O-N 3.31Å; E104-S108 PolarHBondContact O-OG 2.94Å
105M82.4Confident84Confident113 Ų11369 Ų6956%0.55737%0.368SS*.Hα-helixtrans-61.5-45.7171.1-69-168-66.500111.7S101 K102 K107 S108 S109S101-M105 WeakPolarHBondContact O-CG 3.43Å; S101-M105 PolarHBondContact O-N 3.49Å; S101-M105 VanDerWaalsContact O-N 3.07Å; K102-M105 HydrophobicContact CB-CE 4.47Å; K102-M105 HydrophobicContact CG-CE 4.13Å; M105-K107 VanDerWaalsContact C-N 3.35Å; M105-K107 PolarHBondContact O-N 2.9Å; M105-S108 PolarHBondContact O-N 3.02Å; M105-S109 WeakPolarHBondContact O-CB 3.18Å; M105-S109 PolarHBondContact O-N 3.1Å
106N81.9Confident84.5Confident42 Ų4273.5 Ų73.523%0.22538%0.376CS..Hα-helixtrans-61.3-42.9176.9-86.69.1000112L12 K15 K102 L103 S109 I110L12-N106 HydrophobicContact CD1-CB 3.89Å; K15-N106 PolarHBondContact NZ-ND2 3Å; K15-N106 VanDerWaalsContact NZ-ND2 3.12Å; K102-N106 WeakPolarHBondContact O-CB 3.44Å; K102-N106 PolarHBondContact O-N 3Å; L103-N106 WeakPolarHBondContact O-CB 3.06Å; L103-N106 PolarHBondContact O-N 2.91Å; N106-S109 WeakPolarHBondContact O-CB 3.41Å; N106-S109 PolarHBondContact O-N 2.98Å; N106-I110 WeakPolarHBondContact O-CG1 3.34Å; N106-I110 PolarHBondContact O-N 2.88Å
107K84.7Confident84.8Confident110 Ų11074 Ų7448%0.47838%0.379SS..Hα-helixtrans-60.9-46.4177.1-177.1-175.6172.7-165.10111.5L103 E104 M105 S109 I110 Q111L103-K107 WeakPolarHBondContact O-CB 3.45Å; L103-K107 PolarHBondContact O-N 3.42Å; E104-K107 PolarHBondContact O-N 2.92Å; M105-K107 VanDerWaalsContact C-N 3.35Å; M105-K107 PolarHBondContact O-N 2.9Å; K107-S109 VanDerWaalsContact C-N 3.32Å; K107-S109 PolarHBondContact O-N 2.76Å; K107-I110 PolarHBondContact O-N 2.9Å; K107-Q111 PolarHBondContact O-N 3.44Å
108S85.7Confident85.2Confident61 Ų6176.7 Ų76.743%0.42738%0.381SS..Hα-helixtrans-61.1-41176.1-58.70000112E104 M105 Q111 L112E104-S108 WeakPolarHBondContact O-CB 3.26Å; E104-S108 PolarHBondContact O-N 3.31Å; E104-S108 PolarHBondContact O-OG 2.94Å; M105-S108 PolarHBondContact O-N 3.02Å; S108-Q111 PolarHBondContact O-N 3.19Å; S108-L112 PolarHBondContact O-N 2.75Å
109S82.5Confident85.7Confident56 Ų5675.4 Ų75.439%0.39238%0.379SS..Hα-helixtrans-64.2-40.4175.8-179.50000112.7M105 N106 K107 N113M105-S109 WeakPolarHBondContact O-CB 3.18Å; M105-S109 PolarHBondContact O-N 3.1Å; N106-S109 WeakPolarHBondContact O-CB 3.41Å; N106-S109 PolarHBondContact O-N 2.98Å; K107-S109 VanDerWaalsContact C-N 3.32Å; K107-S109 PolarHBondContact O-N 2.76Å; S109-N113 PolarHBondContact O-N 2.97Å; S109-N113 VanDerWaalsContact O-N 3.1Å; S109-N113 PolarHBondContact O-ND2 3.45Å
110I82.7Confident86.3Confident18 Ų1876.1 Ų76.19%0.09239%0.386CS..Hα-helixtrans-64-46.8175.3-70.8164.6000110.3N8 L12 N106 K107 L112 N113 E114N8-I110 HydrophobicContact CB-CD1 4.33Å; N8-I110 HydrophobicContact CB-CG1 4.06Å; L12-I110 HydrophobicContact CB-CD1 4.05Å; L12-I110 HydrophobicContact CD2-CD1 3.86Å; L12-I110 HydrophobicContact CG-CD1 4.37Å; N106-I110 WeakPolarHBondContact O-CG1 3.34Å; N106-I110 PolarHBondContact O-N 2.88Å; K107-I110 PolarHBondContact O-N 2.9Å; I110-L112 PolarHBondContact O-N 2.86Å; I110-N113 PolarHBondContact O-N 3.34Å; I110-N113 VanDerWaalsContact O-N 3.13Å; I110-E114 HydrophobicContact CG2-CG 4.36Å; I110-E114 WeakPolarHBondContact CG2-OE1 3.48Å; I110-E114 WeakPolarHBondContact O-CG 3.34Å; I110-E114 PolarHBondContact O-N 3.48Å
111Q87.1Confident86.7Confident103 Ų10375.2 Ų75.248%0.48138%0.383SS..Hα-helixtrans-58.8-46.1178.4-175.3177.3-10.800112.1K107 S108 N113 E114 E115K107-Q111 PolarHBondContact O-N 3.44Å; S108-Q111 PolarHBondContact O-N 3.19Å; Q111-N113 VanDerWaalsContact C-N 3.29Å; Q111-N113 PolarHBondContact O-N 2.99Å; Q111-E114 PolarHBondContact O-N 3.41Å; Q111-E115 PolarHBondContact NE2-OE1 2.98Å; Q111-E115 WeakPolarHBondContact O-CG 3.3Å; Q111-E115 PolarHBondContact O-N 3.32Å
112L87.6Confident87.2Confident82 Ų8277.4 Ų77.443%0.42939%0.386SS..Hα-helixtrans-60.1-39.4176.3-178.967.5000112.2S108 I110 R116S108-L112 PolarHBondContact O-N 2.75Å; I110-L112 PolarHBondContact O-N 2.86Å; L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 VanDerWaalsContact O-CG 3.3Å; L112-R116 WeakPolarHBondContact O-CG 3.45Å; L112-R116 PolarHBondContact O-N 3.25Å
113N84.9Confident87.8Confident61 Ų6174.8 Ų74.833%0.32639%0.385SS..Hα-helixtrans-70.2-35177.6-75.6-43.7000112.4S109 I110 Q111 R116 L117S109-N113 PolarHBondContact O-N 2.97Å; S109-N113 VanDerWaalsContact O-N 3.1Å; S109-N113 PolarHBondContact O-ND2 3.45Å; I110-N113 PolarHBondContact O-N 3.34Å; I110-N113 VanDerWaalsContact O-N 3.13Å; Q111-N113 VanDerWaalsContact C-N 3.29Å; Q111-N113 PolarHBondContact O-N 2.99Å; N113-R116 PolarHBondContact O-N 2.69Å; N113-L117 WeakPolarHBondContact O-CB 3.44Å; N113-L117 PolarHBondContact O-N 2.94Å
114E87.2Confident88.2Confident56 Ų5678.2 Ų78.226%0.26240%0.402SS..Hα-helixtrans-65.5-44.6173.8-73.2175.718000111.2R9 I110 Q111 R116 L117 Q118R9-E114 IonicContact CZ-OE1 3.74Å; R9-E114 IonicContact NE-OE1 2.71Å; R9-E114 PolarHBondContact NE-OE1 3.49Å; R9-E114 IonicContact NH2-OE1 2.69Å; R9-E114 PolarHBondContact NH2-OE1 2.95Å; I110-E114 HydrophobicContact CG2-CG 4.36Å; I110-E114 WeakPolarHBondContact CG2-OE1 3.48Å; I110-E114 WeakPolarHBondContact O-CG 3.34Å; I110-E114 PolarHBondContact O-N 3.48Å; Q111-E114 PolarHBondContact O-N 3.41Å; E114-R116 PolarHBondContact O-N 2.85Å; E114-L117 PolarHBondContact O-N 3.03Å; E114-Q118 WeakPolarHBondContact O-CG 3.44Å; E114-Q118 PolarHBondContact O-N 2.92Å
115E90.1Very high88.7Confident100 Ų10079.5 Ų79.547%0.46740%0.403SS..Hα-helixtrans-60-44.8174.3-71.8172.9-170.500111.6Q111 L117 Q118 A119Q111-E115 PolarHBondContact NE2-OE1 2.98Å; Q111-E115 WeakPolarHBondContact O-CG 3.3Å; Q111-E115 PolarHBondContact O-N 3.32Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.42Å; E115-Q118 PolarHBondContact O-N 3.4Å; E115-A119 PolarHBondContact O-N 3.33Å
116R89.9Confident89.3Confident155 Ų15577.1 Ų77.159%0.58540%0.4SS*.Hα-helixtrans-60.9-42.3174.3-76.2174.7171.8-169.3-2.5112.1L112 N113 E114 A119 V120L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 VanDerWaalsContact O-CG 3.3Å; L112-R116 WeakPolarHBondContact O-CG 3.45Å; L112-R116 PolarHBondContact O-N 3.25Å; N113-R116 PolarHBondContact O-N 2.69Å; E114-R116 PolarHBondContact O-N 2.85Å; R116-A119 PolarHBondContact O-N 2.97Å; R116-V120 WeakPolarHBondContact O-CG2 3.46Å; R116-V120 PolarHBondContact O-N 3.5Å
117L88.1Confident89.9Confident21 Ų2182.9 Ų82.911%0.1142%0.423CS..Hα-helixtrans-64.7-41.4178.4-178.762.8000111.4M1 K2 E5 N113 E114 E115 V120 Q121M1-L117 HydrophobicContact CB-CD1 4.11Å; M1-L117 HydrophobicContact CE-CD1 3.81Å; M1-L117 HydrophobicContact SD-CD1 4.3Å; K2-L117 HydrophobicContact CG-CD2 4.44Å; E5-L117 WeakPolarHBondContact OE2-CD2 3.01Å; N113-L117 WeakPolarHBondContact O-CB 3.44Å; N113-L117 PolarHBondContact O-N 2.94Å; E114-L117 PolarHBondContact O-N 3.03Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.42Å; L117-V120 PolarHBondContact O-N 3.02Å; L117-Q121 VanDerWaalsContact O-CG 3.31Å; L117-Q121 WeakPolarHBondContact O-CG 3.09Å; L117-Q121 PolarHBondContact O-N 2.98Å
118Q91.8Very high90.4Very high113 Ų11383.3 Ų83.353%0.52843%0.427SS..Hα-helixtrans-61.6-46.8175.2-72.4174.96.400111.4E114 E115 V120 Q121 E122E114-Q118 WeakPolarHBondContact O-CG 3.44Å; E114-Q118 PolarHBondContact O-N 2.92Å; E115-Q118 PolarHBondContact O-N 3.4Å; Q118-V120 VanDerWaalsContact C-N 3.3Å; Q118-V120 PolarHBondContact O-N 3.23Å; Q118-Q121 PolarHBondContact O-N 2.94Å; Q118-Q121 VanDerWaalsContact O-N 3.12Å; Q118-E122 WeakPolarHBondContact O-CG 3.44Å; Q118-E122 PolarHBondContact O-N 3.47Å
119A92.4Very high90.8Very high55 Ų5585.5 Ų85.546%0.45543%0.434SS..Hα-helixtrans-59.3-40.117700000112.3E115 R116 E122 A123E115-A119 PolarHBondContact O-N 3.33Å; R116-A119 PolarHBondContact O-N 2.97Å; A119-E122 PolarHBondContact O-N 3.47Å; A119-A123 WeakPolarHBondContact O-CB 3.28Å; A119-A123 PolarHBondContact O-N 3.26Å
120V91.8Very high91.5Very high60 Ų6085.2 Ų85.236%0.36444%0.435SS..Hα-helixtrans-66.7-41.3175.4171.80000111.5M1 R116 L117 Q118 E122 A123 I124M1-V120 HydrophobicContact CE-CB 4.18Å; M1-V120 HydrophobicContact CE-CG1 3.95Å; M1-V120 HydrophobicContact CE-CG2 4.17Å; R116-V120 WeakPolarHBondContact O-CG2 3.46Å; R116-V120 PolarHBondContact O-N 3.5Å; L117-V120 PolarHBondContact O-N 3.02Å; Q118-V120 VanDerWaalsContact C-N 3.3Å; Q118-V120 PolarHBondContact O-N 3.23Å; V120-E122 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 3.36Å; V120-A123 PolarHBondContact O-N 2.83Å; V120-I124 HydrophobicContact CG1-CD1 3.84Å; V120-I124 HydrophobicContact CG1-CG1 4.4Å; V120-I124 VanDerWaalsContact O-CG1 3.29Å; V120-I124 WeakPolarHBondContact O-CG1 3.42Å; V120-I124 PolarHBondContact O-N 3.2Å
121Q93.1Very high92Very high79 Ų7989.6 Ų89.637%0.36946%0.458SS..Hα-helixtrans-64.4-38.5176.7-72.6173.97.700112.2L117 Q118 R125L117-Q121 VanDerWaalsContact O-CG 3.31Å; L117-Q121 WeakPolarHBondContact O-CG 3.09Å; L117-Q121 PolarHBondContact O-N 2.98Å; Q118-Q121 PolarHBondContact O-N 2.94Å; Q118-Q121 VanDerWaalsContact O-N 3.12Å; Q121-R125 WeakPolarHBondContact O-CG 3.12Å; Q121-R125 PolarHBondContact O-N 2.84Å
122E94.9Very high92.5Very high114 Ų11489.6 Ų89.653%0.53346%0.458SS..Hα-helixtrans-64.7-43.9172.8-74.6177.6-179.100112.2Q118 A119 V120 I124 R125 A126Q118-E122 WeakPolarHBondContact O-CG 3.44Å; Q118-E122 PolarHBondContact O-N 3.47Å; A119-E122 PolarHBondContact O-N 3.47Å; V120-E122 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 3.36Å; E122-I124 VanDerWaalsContact C-N 3.34Å; E122-I124 PolarHBondContact O-N 2.79Å; E122-R125 PolarHBondContact O-N 2.75Å; E122-A126 WeakPolarHBondContact O-CB 3.39Å; E122-A126 PolarHBondContact O-N 3.19Å
123A93.7Very high92.8Very high53 Ų5389.7 Ų89.744%0.43847%0.465SS..Hα-helixtrans-64.2-37.3176.700000112.8A119 V120 K127A119-A123 WeakPolarHBondContact O-CB 3.28Å; A119-A123 PolarHBondContact O-N 3.26Å; V120-A123 PolarHBondContact O-N 2.83Å; A123-K127 WeakPolarHBondContact O-CG 3.28Å; A123-K127 PolarHBondContact O-N 3.31Å; A123-K127 VanDerWaalsContact O-N 3.08Å
124I93.8Very high93.3Very high84 Ų8493.9 Ų93.943%0.43148%0.48SS..Hα-helixtrans-64.1-50.1174.1-70.8167.4000109.9V120 E122 A126 K127 E128V120-I124 HydrophobicContact CG1-CD1 3.84Å; V120-I124 HydrophobicContact CG1-CG1 4.4Å; V120-I124 VanDerWaalsContact O-CG1 3.29Å; V120-I124 WeakPolarHBondContact O-CG1 3.42Å; V120-I124 PolarHBondContact O-N 3.2Å; E122-I124 VanDerWaalsContact C-N 3.34Å; E122-I124 PolarHBondContact O-N 2.79Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 2.97Å; I124-K127 WeakPolarHBondContact O-CB 3.2Å; I124-K127 PolarHBondContact O-N 2.84Å; I124-E128 HydrophobicContact CG2-CG 4.28Å; I124-E128 WeakPolarHBondContact O-CG 3.34Å; I124-E128 PolarHBondContact O-N 3.1Å
125R95.9Very high93.6Very high134 Ų13496.2 Ų96.251%0.50649%0.493SS..Hα-helixtrans-56.4-46.7177.3-75.6-175.5-70.4-176.10.6112Q121 E122 K127 E128 D129Q121-R125 WeakPolarHBondContact O-CG 3.12Å; Q121-R125 PolarHBondContact O-N 2.84Å; E122-R125 PolarHBondContact O-N 2.75Å; R125-K127 VanDerWaalsContact C-N 3.28Å; R125-K127 PolarHBondContact O-N 3.32Å; R125-E128 PolarHBondContact O-N 3Å; R125-D129 WeakPolarHBondContact O-CB 3.45Å; R125-D129 VanDerWaalsContact O-CG 3.3Å; R125-D129 PolarHBondContact O-N 3.2Å
126A94.5Very high93.8Very high62 Ų6295.4 Ų95.451%0.51249%0.489SS..Hα-helixtrans-60.8-36.2177.100000112.9E122 I124 A130E122-A126 WeakPolarHBondContact O-CB 3.39Å; E122-A126 PolarHBondContact O-N 3.19Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 2.97Å; A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.42Å; A126-A130 PolarHBondContact O-N 3.23Å; A126-A130 VanDerWaalsContact O-N 3.08Å
127K95.1Very high94Very high163 Ų16390.8 Ų90.871%0.70948%0.484SS*.Hα-helixtrans-71.3-39.9174.9-79.2-173.8176.6-176.80112.6A123 I124 R125 A130 L131A123-K127 WeakPolarHBondContact O-CG 3.28Å; A123-K127 PolarHBondContact O-N 3.31Å; A123-K127 VanDerWaalsContact O-N 3.08Å; I124-K127 WeakPolarHBondContact O-CB 3.2Å; I124-K127 PolarHBondContact O-N 2.84Å; R125-K127 VanDerWaalsContact C-N 3.28Å; R125-K127 PolarHBondContact O-N 3.32Å; K127-A130 PolarHBondContact O-N 3.41Å; K127-L131 WeakPolarHBondContact O-CB 3.41Å; K127-L131 PolarHBondContact O-N 3Å
128E95Very high94.3Very high119 Ų11996.6 Ų96.656%0.55651%0.508SS*.Hα-helixtrans-62-47.7175.4-72.6173.5167.500110.7I124 R125 A130 L131 Q132I124-E128 HydrophobicContact CG2-CG 4.28Å; I124-E128 WeakPolarHBondContact O-CG 3.34Å; I124-E128 PolarHBondContact O-N 3.1Å; R125-E128 PolarHBondContact O-N 3Å; E128-A130 PolarHBondContact O-N 2.97Å; E128-L131 PolarHBondContact O-N 3.45Å; E128-Q132 WeakPolarHBondContact O-CB 3.49Å; E128-Q132 PolarHBondContact O-N 3.05Å
129D95.6Very high94.5Very high107 Ų10797.9 Ų97.957%0.57251%0.514SS*.Hα-helixtrans-60.2-44.7176.5-69.4-21.6000111.7R125 L131 Q132 C133R125-D129 WeakPolarHBondContact O-CB 3.45Å; R125-D129 VanDerWaalsContact O-CG 3.3Å; R125-D129 PolarHBondContact O-N 3.2Å; D129-L131 VanDerWaalsContact C-N 3.33Å; D129-L131 PolarHBondContact O-N 3.35Å; D129-Q132 PolarHBondContact O-N 2.84Å; D129-C133 PolarHBondContact O-N 3.34Å; D129-C133 PolarHBondContact O-SG 3.42Å
130A95.2Very high94.6Very high50 Ų50102.4 Ų102.441%0.41352%0.523SS..Hα-helixtrans-64-37.117700000112.5A126 K127 E128 K134A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.42Å; A126-A130 PolarHBondContact O-N 3.23Å; A126-A130 VanDerWaalsContact O-N 3.08Å; K127-A130 PolarHBondContact O-N 3.41Å; E128-A130 PolarHBondContact O-N 2.97Å; A130-K134 WeakPolarHBondContact O-CG 3.31Å; A130-K134 PolarHBondContact O-N 3.18Å; A130-K134 VanDerWaalsContact O-N 3.14Å
131L95.3Very high94.6Very high111 Ų111102.1 Ų102.158%0.58153%0.527SS*.Hα-helixtrans-69.8-41.8176.5-171.1142.4000111.1K127 E128 D129 K134 M135K127-L131 WeakPolarHBondContact O-CB 3.41Å; K127-L131 PolarHBondContact O-N 3Å; E128-L131 PolarHBondContact O-N 3.45Å; D129-L131 VanDerWaalsContact C-N 3.33Å; D129-L131 PolarHBondContact O-N 3.35Å; L131-K134 PolarHBondContact O-N 2.69Å; L131-M135 HydrophobicContact CD2-CG 4.05Å; L131-M135 WeakPolarHBondContact O-CG 3.49Å; L131-M135 PolarHBondContact O-N 3.37Å
132Q95.6Very high94.5Very high103 Ų103103.5 Ų103.548%0.48154%0.537SS..Hα-helixtrans-59-48.4175-175.764.114.600111.3E128 D129 K134 M135 E136E128-Q132 WeakPolarHBondContact O-CB 3.49Å; E128-Q132 PolarHBondContact O-N 3.05Å; D129-Q132 PolarHBondContact O-N 2.84Å; Q132-K134 VanDerWaalsContact C-N 3.32Å; Q132-K134 PolarHBondContact O-N 3.21Å; Q132-M135 PolarHBondContact O-N 3.33Å; Q132-M135 VanDerWaalsContact O-N 3.14Å; Q132-E136 PolarHBondContact NE2-OE1 2.77Å; Q132-E136 WeakPolarHBondContact O-CG 3.17Å; Q132-E136 PolarHBondContact O-N 2.99Å
133C94.7Very high94.5Very high84 Ų84104.8 Ų104.857%0.56854%0.541SS*.Hα-helixtrans-58-40.9174.8-77.70000112.8D129 A137D129-C133 PolarHBondContact O-N 3.34Å; D129-C133 PolarHBondContact O-SG 3.42Å; C133-A137 WeakPolarHBondContact O-CB 3.48Å; C133-A137 PolarHBondContact O-N 2.99Å
134K94.8Very high94.3Very high148 Ų148104.4 Ų104.464%0.64354%0.538SS*.Hα-helixtrans-65.8-39.7176.1-76.8177.8-177.5179.10112.3A130 L131 Q132 A137 K138A130-K134 WeakPolarHBondContact O-CG 3.31Å; A130-K134 PolarHBondContact O-N 3.18Å; A130-K134 VanDerWaalsContact O-N 3.14Å; L131-K134 PolarHBondContact O-N 2.69Å; Q132-K134 VanDerWaalsContact C-N 3.32Å; Q132-K134 PolarHBondContact O-N 3.21Å; K134-A137 PolarHBondContact O-N 2.87Å; K134-K138 WeakPolarHBondContact O-CB 3.46Å; K134-K138 WeakPolarHBondContact O-CG 3.44Å; K134-K138 PolarHBondContact O-N 3.11Å
135M94.3Very high94.1Very high106 Ų106107.7 Ų107.752%0.52255%0.549SS..Hα-helixtrans-65.3-44.8177.6-73.7-61.1-68.400111.3L131 Q132 A137 K138 Q139L131-M135 HydrophobicContact CD2-CG 4.05Å; L131-M135 WeakPolarHBondContact O-CG 3.49Å; L131-M135 PolarHBondContact O-N 3.37Å; Q132-M135 PolarHBondContact O-N 3.33Å; Q132-M135 VanDerWaalsContact O-N 3.14Å; M135-A137 PolarHBondContact O-N 3.35Å; M135-K138 PolarHBondContact O-N 3.46Å; M135-Q139 WeakPolarHBondContact O-CB 3.46Å; M135-Q139 PolarHBondContact O-N 2.9Å
136E95Very high93.8Very high82 Ų82108 Ų10838%0.38355%0.554SS.*Hα-helixtrans-62.9-42175.4-70.8177.8-166.500112.2Q132 Q139 K140Q132-E136 PolarHBondContact NE2-OE1 2.77Å; Q132-E136 WeakPolarHBondContact O-CG 3.17Å; Q132-E136 PolarHBondContact O-N 2.99Å; E136-Q139 PolarHBondContact O-N 2.92Å; E136-K140 WeakPolarHBondContact O-CG 3.45Å; E136-K140 PolarHBondContact O-N 3.42Å
137A94.3Very high93.4Very high59 Ų59108.8 Ų108.849%0.48855%0.549SS..Hα-helixtrans-62.8-43.1175.600000112C133 K134 M135 K140 A141C133-A137 WeakPolarHBondContact O-CB 3.48Å; C133-A137 PolarHBondContact O-N 2.99Å; K134-A137 PolarHBondContact O-N 2.87Å; M135-A137 PolarHBondContact O-N 3.35Å; A137-K140 PolarHBondContact O-N 3.29Å; A137-A141 WeakPolarHBondContact O-CB 3.32Å; A137-A141 PolarHBondContact O-N 2.86Å
138K93.7Very high93Very high143 Ų143107.6 Ų107.662%0.62254%0.544SS*.Hα-helixtrans-61.9-42.4174.3-79.8-175176.7-176.20111.8K134 M135 A141 L142K134-K138 WeakPolarHBondContact O-CB 3.46Å; K134-K138 WeakPolarHBondContact O-CG 3.44Å; K134-K138 PolarHBondContact O-N 3.11Å; M135-K138 PolarHBondContact O-N 3.46Å; K138-A141 PolarHBondContact O-N 2.98Å; K138-L142 WeakPolarHBondContact O-CB 3.28Å; K138-L142 WeakPolarHBondContact O-CG 3.39Å; K138-L142 PolarHBondContact O-N 3.4Å
139Q94.9Very high92.3Very high140 Ų140107.1 Ų107.165%0.65454%0.542SS*.Hα-helixtrans-64.6-43.2178.4-168.9177.1900111.7M135 E136 L142 K143M135-Q139 WeakPolarHBondContact O-CB 3.46Å; M135-Q139 PolarHBondContact O-N 2.9Å; E136-Q139 PolarHBondContact O-N 2.92Å; Q139-L142 PolarHBondContact O-N 3.35Å; Q139-K143 WeakPolarHBondContact O-CB 3.4Å; Q139-K143 PolarHBondContact O-N 3.3Å
140K94.7Very high91.4Very high149 Ų149108.2 Ų108.265%0.64854%0.543SS*.Hα-helixtrans-61.9-43.3173.8-72.7175.5-176.5172.90111.9E136 A137 K143 A144E136-K140 WeakPolarHBondContact O-CG 3.45Å; E136-K140 PolarHBondContact O-N 3.42Å; A137-K140 PolarHBondContact O-N 3.29Å; K140-K143 PolarHBondContact O-N 2.92Å; K140-A144 WeakPolarHBondContact O-CB 3.49Å; K140-A144 PolarHBondContact O-N 3.43Å
141A92.3Very high90.5Very high54 Ų54112.7 Ų112.745%0.44656%0.556SS.*Hα-helixtrans-65.8-39.917800000112.7A137 K138 A144 K145A137-A141 WeakPolarHBondContact O-CB 3.32Å; A137-A141 PolarHBondContact O-N 2.86Å; K138-A141 PolarHBondContact O-N 2.98Å; A141-A144 PolarHBondContact O-N 3.06Å; A141-K145 WeakPolarHBondContact O-CG 3.4Å; A141-K145 PolarHBondContact O-N 2.95Å
142L92Very high89.4Confident109 Ų109114.1 Ų114.157%0.57156%0.557SS**Hα-helixtrans-64.6-42.6174.5-78.8168.4000111.7K138 Q139 K145 K146K138-L142 WeakPolarHBondContact O-CB 3.28Å; K138-L142 WeakPolarHBondContact O-CG 3.39Å; K138-L142 PolarHBondContact O-N 3.4Å; Q139-L142 PolarHBondContact O-N 3.35Å; L142-K145 PolarHBondContact O-N 3.17Å; L142-K146 PolarHBondContact O-N 2.94Å
143K93.2Very high87.9Confident141 Ų141116.4 Ų116.461%0.61356%0.562SS**Hα-helixtrans-60-50.2174.7-170.1177.5178.2-178.60111Q139 K140 K145 K146 D147Q139-K143 WeakPolarHBondContact O-CB 3.4Å; Q139-K143 PolarHBondContact O-N 3.3Å; K140-K143 PolarHBondContact O-N 2.92Å; K143-K145 VanDerWaalsContact C-N 3.28Å; K143-K145 PolarHBondContact O-N 3.43Å; K143-K146 WeakPolarHBondContact O-CB 3.47Å; K143-K146 PolarHBondContact O-N 3Å; K143-K146 VanDerWaalsContact O-N 3.07Å; K143-D147 PolarHBondContact O-N 2.91Å
144A89.9Confident86.2Confident45 Ų45116.2 Ų116.237%0.37256%0.559SS.*Hα-helixtrans-61-32.6177.300000113.7K140 A141 K148K140-A144 WeakPolarHBondContact O-CB 3.49Å; K140-A144 PolarHBondContact O-N 3.43Å; A141-A144 PolarHBondContact O-N 3.06Å; A144-K148 WeakPolarHBondContact O-CB 3.49Å; A144-K148 WeakPolarHBondContact O-CG 3.42Å; A144-K148 PolarHBondContact O-N 3.42Å; A144-K148 VanDerWaalsContact O-N 3.14Å
145K90.3Very high84.3Confident153 Ų153115.7 Ų115.767%0.66556%0.559SS**Hα-helixtrans-67.6-43.6173-81-172177.9-173.30111.9A141 L142 K143 K148 E149A141-K145 WeakPolarHBondContact O-CG 3.4Å; A141-K145 PolarHBondContact O-N 2.95Å; L142-K145 PolarHBondContact O-N 3.17Å; K143-K145 VanDerWaalsContact C-N 3.28Å; K143-K145 PolarHBondContact O-N 3.43Å; K145-K148 PolarHBondContact O-N 3.02Å; K145-E149 PolarHBondContact O-N 2.77Å
146K89.1Confident82.4Confident141 Ų141113.4 Ų113.461%0.61355%0.553SS**Hα-helixtrans-62-46.9175.9-72.9-175.5176.3-172.60111.3L142 K143 K148 E149 E150L142-K146 PolarHBondContact O-N 2.94Å; K143-K146 WeakPolarHBondContact O-CB 3.47Å; K143-K146 PolarHBondContact O-N 3Å; K143-K146 VanDerWaalsContact O-N 3.07Å; K146-K148 VanDerWaalsContact C-N 3.31Å; K146-K148 PolarHBondContact O-N 3.37Å; K146-E149 PolarHBondContact O-N 3.44Å; K146-E149 VanDerWaalsContact O-N 3.1Å; K146-E150 PolarHBondContact O-N 3.49Å
147D86.8Confident80.4Confident77 Ų77117 Ų11741%0.41257%0.57SS.*Hα-helixtrans-58.5-43.4178.7-58.5-18.9000111.1K143 E150 E151K143-D147 PolarHBondContact O-N 2.91Å; D147-E150 PolarHBondContact O-N 3.15Å; D147-E151 PolarHBondContact O-N 3.07Å
148K86.7Confident78.4Confident138 Ų138122.2 Ų122.260%0.658%0.582SS**Hα-helixtrans-67.8-33.9175.5-75.9-178.2179.9-174.90114.1A144 K145 K146 K152A144-K148 WeakPolarHBondContact O-CB 3.49Å; A144-K148 WeakPolarHBondContact O-CG 3.42Å; A144-K148 PolarHBondContact O-N 3.42Å; A144-K148 VanDerWaalsContact O-N 3.14Å; K145-K148 PolarHBondContact O-N 3.02Å; K146-K148 VanDerWaalsContact C-N 3.31Å; K146-K148 PolarHBondContact O-N 3.37Å; K148-K152 WeakPolarHBondContact O-CG 3.34Å; K148-K152 PolarHBondContact O-N 2.75Å
149E80.8Confident76.3Confident110 Ų110121 Ų12151%0.51458%0.582SS.*Hα-helixtrans-70.1-40.8176.6-165.7-171.3142.400110.6K145 K146 K152 R153K145-E149 PolarHBondContact O-N 2.77Å; K146-E149 PolarHBondContact O-N 3.44Å; K146-E149 VanDerWaalsContact O-N 3.1Å; E149-K152 PolarHBondContact O-N 3.34Å; E149-R153 PolarHBondContact O-N 2.77Å; E149-R153 IonicContact OE1-NH2 3.32Å; E149-R153 PolarHBondContact OE1-NH2 3.41Å
150E76.3Confident74.1Confident129 Ų129120.9 Ų120.960%0.60359%0.585SS**Hα-helixtrans-63.4-40.4173.9-74.3-174.6173.700112.3K146 D147 K152 R153 P154K146-E150 PolarHBondContact O-N 3.49Å; D147-E150 PolarHBondContact O-N 3.15Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 3.28Å; E150-R153 PolarHBondContact O-N 3.09Å; E150-P154 WeakPolarHBondContact O-CD 3.11Å
151E75.8Confident72Confident144 Ų144117.8 Ų117.867%0.67358%0.582SS**Hα-helixtrans-62.4-32173.2-79.6-177.2169.800113.5D147 P154D147-E151 PolarHBondContact O-N 3.07Å; E151-P154 VanDerWaalsContact O-CD 3.32Å; E151-P154 WeakPolarHBondContact O-CD 3.46Å; E151-P154 WeakPolarHBondContact O-CG 3.3Å
152K72.6Confident69.7Low141 Ų141122 Ų12261%0.61360%0.597SS**Hα-helixtrans-79.8-26.7-179.9-76.1-178.3179.6-172.50113.9K148 E149 E150 Q155 S156K148-K152 WeakPolarHBondContact O-CG 3.34Å; K148-K152 PolarHBondContact O-N 2.75Å; E149-K152 PolarHBondContact O-N 3.34Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 3.28Å; K152-Q155 PolarHBondContact O-N 3.11Å; K152-S156 PolarHBondContact O-N 3.31Å; K152-S156 PolarHBondContact O-OG 3.46Å
153R63.2Low67.1Low151 Ų151121.8 Ų121.857%0.5760%0.6SS**Hα-helixtrans-54.1-43.3178.9-79.4-178.6-178.7-178.83114.3E149 E150 Q155 S156 Q157E149-R153 PolarHBondContact O-N 2.77Å; E149-R153 IonicContact OE1-NH2 3.32Å; E149-R153 PolarHBondContact OE1-NH2 3.41Å; E150-R153 PolarHBondContact O-N 3.09Å; R153-Q155 VanDerWaalsContact C-N 3.33Å; R153-Q155 PolarHBondContact O-N 2.79Å; R153-S156 PolarHBondContact O-OG 2.62Å; R153-Q157 PolarHBondContact O-N 2.94Å
154P59Low64.3Low80 Ų80120.1 Ų120.152%0.51961%0.607SS.*Hα-helixtrans-70.8-23.9175.623.5-31.7000114E150 E151E150-P154 WeakPolarHBondContact O-CD 3.11Å; E151-P154 VanDerWaalsContact O-CD 3.32Å; E151-P154 WeakPolarHBondContact O-CD 3.46Å; E151-P154 WeakPolarHBondContact O-CG 3.3Å
155Q56.6Low61.5Low138 Ų138129 Ų12965%0.64563%0.631SS**Hα-helixtrans-79.9-40.1176.6-82.3-174.8-8.900112.9K152 R153 K158 L159K152-Q155 PolarHBondContact O-N 3.11Å; R153-Q155 VanDerWaalsContact C-N 3.33Å; R153-Q155 PolarHBondContact O-N 2.79Å; Q155-K158 PolarHBondContact O-N 3.36Å; Q155-L159 PolarHBondContact O-N 3.02Å
156S54.4Low58.7Low57 Ų57127.8 Ų127.840%0.39964%0.636SS.*Hα-helixtrans-71.5-29.4178.152.80000112.7K152 R153 K158 L159 L160K152-S156 PolarHBondContact O-N 3.31Å; K152-S156 PolarHBondContact O-OG 3.46Å; R153-S156 PolarHBondContact O-OG 2.62Å; S156-K158 VanDerWaalsContact C-N 3.27Å; S156-K158 PolarHBondContact O-N 3.2Å; S156-L159 PolarHBondContact O-N 2.91Å; S156-L160 WeakPolarHBondContact O-CG 3.34Å; S156-L160 PolarHBondContact O-N 2.8Å
157Q51.4Low55.9Low158 Ų158127.3 Ų127.374%0.73864%0.644SS**Hα-helixtrans-64-29.6169.9-108.8-180-4.900113.2R153R153-Q157 PolarHBondContact O-N 2.94Å
158K52.5Low53.1Low169 Ų169129 Ų12974%0.73566%0.657SS**Hα-helixtrans-78.4-24.9173-79.5-177175.7-179.80114Q155 S156 S161Q155-K158 PolarHBondContact O-N 3.36Å; S156-K158 VanDerWaalsContact C-N 3.27Å; S156-K158 PolarHBondContact O-N 3.2Å; K158-S161 PolarHBondContact O-OG 2.85Å
159L50.2Low50.2Low117 Ų117131.5 Ų131.561%0.61367%0.669SS**Hα-helixtrans-87.1-33.5-180-103.9119000113.1Q155 S156 S161 N162 T163Q155-L159 PolarHBondContact O-N 3.02Å; S156-L159 PolarHBondContact O-N 2.91Å; L159-S161 PolarHBondContact O-N 2.93Å; L159-N162 PolarHBondContact O-N 2.74Å; L159-N162 VanDerWaalsContact O-N 3.15Å; L159-T163 PolarHBondContact O-OG1 3.16Å
160L48.6Very low47.6Very low137 Ų137130 Ų13072%0.71768%0.683SS**Hα-helixtrans-70-20.5177.6-72.1168.6000113S156 N162S156-L160 WeakPolarHBondContact O-CG 3.34Å; S156-L160 PolarHBondContact O-N 2.8Å; L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 PolarHBondContact O-N 3.1Å
161S49.7Very low45.3Very low84 Ų84131.7 Ų131.759%0.58770%0.696SS**THydrogen-bonded Turntrans-71.4-16.8171.151.40000114K158 L159K158-S161 PolarHBondContact O-OG 2.85Å; L159-S161 PolarHBondContact O-N 2.93Å
162N45.7Very low42.8Very low142 Ų142128.5 Ų128.576%0.75970%0.702SS**THydrogen-bonded Turntrans-113-3.2-174.6-79.12.2000115.4L159 L160L159-N162 PolarHBondContact O-N 2.74Å; L159-N162 VanDerWaalsContact O-N 3.15Å; L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 PolarHBondContact O-N 3.1Å
163T36Very low40.7Very low105 Ų105126.7 Ų126.764%0.64471%0.713SS**  trans-112.447.4-178.8-24.20000111.7L159L159-T163 PolarHBondContact O-OG1 3.16Å
164S35.6Very low39Very low107 Ų107126.8 Ų126.875%0.74873%0.725SS**  trans-96.683.8160.5-90.10000108.5
165R30.3Very low37.6Very low232 Ų232131.8 Ų131.888%0.87574%0.741SS**  trans168.3146.2150.2-99.7163.5169167.6-3.2110.1
166T31.7Very low36.2Very low126 Ų126135.9 Ų135.977%0.77375%0.751SS**  trans92.187.4166.6-12.70000113.5
167V29.9Very low35.1Very low131 Ų131141.7 Ų141.779%0.79477%0.772SS**  82.1135.886.2160.30000110
168V27.5Very low34.1Very low113 Ų113142.9 Ų142.969%0.68578%0.777SS**  cis-168.1154.92.1134.10000106.5
169F26.6Very low33.2Very low191 Ų191139.2 Ų139.284%0.83878%0.779SS**  trans-10134.8159.4-73.3-104000118.9
170G27.2Very low32.4Very low79 Ų79138 Ų13881%0.81479%0.785SS**  trans-164103.3161.400000110.7
171N26.9Very low31.7Very low163 Ų163140.5 Ų140.587%0.87279%0.794SS**  trans-63152.8179.5-77.5-24.3000114.2
172G23.7Very low31Very low78 Ų78145.7 Ų145.780%0.80481%0.806SS**  trans109.1105.3135.700000116.5
173A28.2Very low30.4Very low103 Ų103143 Ų14385%0.85180%0.796SS**  169.5119.1113.100000110.1
174D26.6Very low30.2Very low153 Ų153141 Ų14182%0.81879%0.786SS**  trans-57.4130.6160.2-75.1-62.1000110.9
175E30.5Very low30Very low184 Ų184141 Ų14186%0.8678%0.783SS**  trans-140.3101.6143.8-77.2-164.115600109.4
176R26.5Very low29.9Very low225 Ų225138 Ų13885%0.84978%0.777SS**  trans-74.8112.2158.4-75.4176.5170.4-176.3-2.5107.8
177E31.2Very low29.7Very low179 Ų179138.2 Ų138.284%0.83677%0.769SS**  trans-112.894.8154.7-82.2-168.3151.600108.8A179E177-A179 VanDerWaalsContact C-N 3.32Å; E177-A179 PolarHBondContact O-N 3.35Å; E177-A179 VanDerWaalsContact O-N 3.11Å
178Q30.9Very low29.6Very low182 Ų182138.2 Ų138.285%0.8576%0.764SS**  trans-6796.2156.2-77.2176.9-400106.9A180Q178-A180 PolarHBondContact O-N 3.38Å
179A33.3Very low29.5Very low92 Ų92139.9 Ų139.976%0.7677%0.768SS**  trans-65.999.3168.100000108.2E177 E181E177-A179 VanDerWaalsContact C-N 3.32Å; E177-A179 PolarHBondContact O-N 3.35Å; E177-A179 VanDerWaalsContact O-N 3.11Å; A179-E181 PolarHBondContact O-N 2.82Å; A179-E181 VanDerWaalsContact O-N 3.12Å
180A34.3Very low29.5Very low91 Ų91141.5 Ų141.575%0.75277%0.769SS**  trans-54114164.900000108.4Q178 K182Q178-A180 PolarHBondContact O-N 3.38Å; A180-K182 PolarHBondContact O-N 2.93Å
181E33.9Very low29.7Very low191 Ų191143 Ų14389%0.89376%0.762SS**  trans-58.9100.8172-74.9-178.2153.100108.4A179A179-E181 PolarHBondContact O-N 2.82Å; A179-E181 VanDerWaalsContact O-N 3.12Å
182K33.9Very low29.6Very low193 Ų193143.5 Ų143.584%0.83976%0.759SS**PPolyproline II helixtrans-64.9125.4161.8-74-179.1176.6178.90106.9A180A180-K182 PolarHBondContact O-N 2.93Å
183P33.5Very low29.7Very low86 Ų86147.3 Ų147.356%0.55876%0.761SS**PPolyproline II helixtrans-59141.8178.921.5-30.2000110.3E187P183-E187 VanDerWaalsContact CB-OE2 3.24Å; P183-E187 WeakPolarHBondContact CB-OE2 3.39Å
184S32.6Very low29.4Very low61 Ų61148.2 Ų148.243%0.42776%0.756SS.*PPolyproline II helixtrans-65.8152.6-17087.20000111.1F186 E187S184-F186 PolarHBondContact O-N 2.69Å; S184-F186 PolarHBondContact OG-N 3.5Å; S184-E187 PolarHBondContact O-N 2.95Å
185P30.7Very low29.3Very low107 Ų107146.5 Ų146.570%0.69575%0.753SS**THydrogen-bonded Turntrans-52.9-17176.4-25.833.6000115
186F28.7Very low28.8Very low171 Ų171146.7 Ų146.775%0.7575%0.751SS**THydrogen-bonded Turntrans-79.7-22177.3-101.7-87.8000114.4S184S184-F186 PolarHBondContact O-N 2.69Å; S184-F186 PolarHBondContact OG-N 3.5Å
187E28.2Very low28.6Very low130 Ų130142.7 Ų142.761%0.60775%0.752SS**THydrogen-bonded Turntrans-80.7-30177.9-76.9-177.5149.600112.4P183 S184 L189 R190P183-E187 VanDerWaalsContact CB-OE2 3.24Å; P183-E187 WeakPolarHBondContact CB-OE2 3.39Å; S184-E187 PolarHBondContact O-N 2.95Å; E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 2.97Å; E187-R190 PolarHBondContact O-N 3.09Å
188L26.8Very low28.2Very low131 Ų131140.6 Ų140.669%0.68675%0.745SS**G310 helixtrans-68.4-22.3177-90.5153.7000113.9R190L188-R190 VanDerWaalsContact C-N 3.33Å; L188-R190 PolarHBondContact O-N 3.48Å
189L25.4Very low27.9Very low147 Ų147136.8 Ų136.877%0.7774%0.739SS**G310 helixtrans-86.12.5-177.8-78.5165.3000114.2E187E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 2.97Å
190R26.5Very low27.7Very low225 Ų225134 Ų13485%0.84971%0.713SS**G310 helixtrans-104.8-6.9179.9-80.5-161.5174.7-171.8-0.3115.4E187 L188E187-R190 PolarHBondContact O-N 3.09Å; L188-R190 VanDerWaalsContact C-N 3.33Å; L188-R190 PolarHBondContact O-N 3.48Å
191T30.7Very low27.6Very low111 Ų111137.2 Ų137.268%0.68172%0.718SS**SBendtrans-108.8-8-165.934.70000117.7
192E26.3Very low27.6Very low173 Ų173132.3 Ų132.381%0.80870%0.698SS**SBendtrans-130.2118.5179.4-68.7179.8168.500110.5
193D24.6Very low27.9Very low159 Ų159126.7 Ų126.785%0.8568%0.683SS**  trans76.342.7164.8-51.4-27.2000119.9P195D193-P195 WeakPolarHBondContact O-CD 3.45Å
194V22.9Very low28Very low122 Ų122125.1 Ų125.174%0.73968%0.677SS**  trans-85.7115.2148.4-176.70000107.3K196V194-K196 PolarHBondContact O-N 3.5Å
195P23.4Very low28.3Very low116 Ų116126 Ų12675%0.75368%0.675SS**  trans-54.9118.2174.3-18.728.8000108.1D193 T197D193-P195 WeakPolarHBondContact O-CD 3.45Å; P195-T197 PolarHBondContact O-N 3.35Å
196K21.2Very low28.9Very low189 Ų189127.1 Ų127.182%0.82267%0.67SS**  trans-60.6110.9174.5-78.6176.9178.2172.40107.1V194 I198V194-K196 PolarHBondContact O-N 3.5Å; K196-I198 HydrophobicContact CB-CG1 4.21Å; K196-I198 PolarHBondContact O-N 3Å
197T21.9Very low29.5Very low140 Ų140125.1 Ų125.186%0.85966%0.664SS**  trans-61.289.5159.2-20000106.5P195 S199P195-T197 PolarHBondContact O-N 3.35Å; T197-S199 VanDerWaalsContact C-N 3.25Å; T197-S199 PolarHBondContact O-N 3.24Å
198I21.8Very low30Very low136 Ų136120.9 Ų120.970%0.69765%0.645SS**  trans-75.392.8169.6-55.8175.8000104.8K196 S200K196-I198 HydrophobicContact CB-CG1 4.21Å; K196-I198 PolarHBondContact O-N 3Å; I198-S200 VanDerWaalsContact C-N 3.31Å; I198-S200 PolarHBondContact O-N 3.47Å
199S26Very low30.6Very low102 Ų102117.8 Ų117.871%0.71363%0.628SS**  trans-60.994.9165.7154.80000107.4T197T197-S199 VanDerWaalsContact C-N 3.25Å; T197-S199 PolarHBondContact O-N 3.24Å
200S29.2Very low31.3Very low33 Ų33115.4 Ų115.423%0.23162%0.616CS.*  trans-100.7110.4166.654.40000108.3I198 N202 Y247I198-S200 VanDerWaalsContact C-N 3.31Å; I198-S200 PolarHBondContact O-N 3.47Å; S200-N202 PolarHBondContact O-N 3.19Å; S200-Y247 PolarHBondContact OG-OH 2.9Å
201N30.9Very low31.7Very low159 Ų159105.7 Ų105.785%0.8558%0.584SS**  trans-69.869.1174.8-67.4-18.7000110.7
202N33.8Very low31.9Very low87 Ų87101.6 Ų101.647%0.46556%0.558SS.*  trans-111.6132.1-177.6-131.74.3000111.1S200 A204 E205S200-N202 PolarHBondContact O-N 3.19Å; N202-A204 PolarHBondContact O-N 3.35Å; N202-E205 WeakPolarHBondContact O-CB 3.25Å; N202-E205 PolarHBondContact O-N 3.37Å; N202-E205 VanDerWaalsContact O-N 3.1Å
203S40.6Very low32.5Very low75 Ų7595 Ų9552%0.52453%0.528SS..Hα-helixtrans-62.3-27.5-169.763.10000114E206 Q207S203-E206 PolarHBondContact O-N 2.75Å; S203-Q207 WeakPolarHBondContact O-CB 3.47Å; S203-Q207 WeakPolarHBondContact O-CG 3.45Å; S203-Q207 PolarHBondContact O-N 3.48Å
204A36.2Very low32.8Very low54 Ų5491.3 Ų91.345%0.44653%0.527SS..Hα-helixtrans-65.8-37.9177.400000112N202 Q207 L208N202-A204 PolarHBondContact O-N 3.35Å; A204-Q207 PolarHBondContact O-N 2.87Å; A204-L208 WeakPolarHBondContact O-CB 3.49Å; A204-L208 PolarHBondContact O-N 2.88Å
205E39.7Very low33.2Very low80 Ų8088.5 Ų88.537%0.37451%0.513SS..Hα-helixtrans-67.1-41.1177-153.7167.5-159.600109.8N202 L208 I209N202-E205 WeakPolarHBondContact O-CB 3.25Å; N202-E205 PolarHBondContact O-N 3.37Å; N202-E205 VanDerWaalsContact O-N 3.1Å; E205-L208 PolarHBondContact O-N 3.32Å; E205-I209 HydrophobicContact CG-CD1 4.29Å; E205-I209 VanDerWaalsContact O-CB 3.3Å; E205-I209 WeakPolarHBondContact O-CB 3.21Å; E205-I209 VanDerWaalsContact O-CD1 3.28Å; E205-I209 WeakPolarHBondContact O-CD1 3.33Å; E205-I209 WeakPolarHBondContact O-CG1 3.31Å; E205-I209 PolarHBondContact O-N 2.95Å
206E43.3Very low33.4Very low129 Ų12985.3 Ų85.360%0.60350%0.497SS*.Hα-helixtrans-64.8-40.3174.3-126.3175.6-169.900112.7S203 I209 N210S203-E206 PolarHBondContact O-N 2.75Å; E206-I209 PolarHBondContact O-N 3.06Å; E206-N210 VanDerWaalsContact O-CB 3.27Å; E206-N210 WeakPolarHBondContact O-CB 3.28Å; E206-N210 PolarHBondContact O-N 3.46Å; E206-N210 PolarHBondContact O-ND2 3.31Å; E206-N210 VanDerWaalsContact O-ND2 3.08Å
207Q40.2Very low33.8Very low130 Ų13082.6 Ų82.661%0.60749%0.491SS*.Hα-helixtrans-65.2-43.2174.9-77.2177.2-0.300111.5S203 A204 N210 A211S203-Q207 WeakPolarHBondContact O-CB 3.47Å; S203-Q207 WeakPolarHBondContact O-CG 3.45Å; S203-Q207 PolarHBondContact O-N 3.48Å; A204-Q207 PolarHBondContact O-N 2.87Å; Q207-N210 PolarHBondContact O-N 3.19Å; Q207-A211 WeakPolarHBondContact O-CB 3.31Å; Q207-A211 PolarHBondContact O-N 2.96Å
208L38.5Very low34.1Very low41 Ų4182.3 Ų82.322%0.21548%0.48CS..Hα-helixtrans-62.8-45.2175-142.394.3000110.8A204 E205 N210 A211 I212 F257A204-L208 WeakPolarHBondContact O-CB 3.49Å; A204-L208 PolarHBondContact O-N 2.88Å; E205-L208 PolarHBondContact O-N 3.32Å; L208-N210 VanDerWaalsContact C-N 3.34Å; L208-N210 PolarHBondContact O-N 3.37Å; L208-A211 PolarHBondContact O-N 3.4Å; L208-I212 HydrophobicContact CD2-CD1 4.09Å; L208-I212 HydrophobicContact CG-CD1 4.23Å; L208-I212 WeakPolarHBondContact O-CB 3.4Å; L208-I212 VanDerWaalsContact O-CD1 3.28Å; L208-I212 WeakPolarHBondContact O-CD1 3.28Å; L208-I212 WeakPolarHBondContact O-CG1 3.19Å; L208-I212 PolarHBondContact O-N 3.04Å; L208-F257 HydrophobicContact CD1-CD1 4.34Å; L208-F257 HydrophobicContact CD1-CD2 4.35Å; L208-F257 HydrophobicContact CD1-CG 4.19Å
209I40.4Very low34.3Very low66 Ų6677.3 Ų77.334%0.33845%0.454SS..Hα-helixtrans-58.8-44.5175.6-72.4163.2000111E205 E206 D213 L219E205-I209 HydrophobicContact CG-CD1 4.29Å; E205-I209 VanDerWaalsContact O-CB 3.3Å; E205-I209 WeakPolarHBondContact O-CB 3.21Å; E205-I209 VanDerWaalsContact O-CD1 3.28Å; E205-I209 WeakPolarHBondContact O-CD1 3.33Å; E205-I209 WeakPolarHBondContact O-CG1 3.31Å; E205-I209 PolarHBondContact O-N 2.95Å; E206-I209 PolarHBondContact O-N 3.06Å; I209-D213 PolarHBondContact O-N 3.47Å; I209-L219 HydrophobicContact CB-CD1 4.29Å; I209-L219 HydrophobicContact CG1-CD1 4.41Å; I209-L219 HydrophobicContact CG2-CD1 3.97Å
210N39Very low34.4Very low96 Ų9682.1 Ų82.151%0.51346%0.458SS..Hα-helixtrans-68.6-41.8178.8-74.4-30.4000112.2E206 Q207 L208 G214E206-N210 VanDerWaalsContact O-CB 3.27Å; E206-N210 WeakPolarHBondContact O-CB 3.28Å; E206-N210 PolarHBondContact O-N 3.46Å; E206-N210 PolarHBondContact O-ND2 3.31Å; E206-N210 VanDerWaalsContact O-ND2 3.08Å; Q207-N210 PolarHBondContact O-N 3.19Å; L208-N210 VanDerWaalsContact C-N 3.34Å; L208-N210 PolarHBondContact O-N 3.37Å; N210-G214 PolarHBondContact O-N 3.27Å; N210-G214 VanDerWaalsContact O-N 3.1Å
211A35.3Very low34.3Very low21 Ų2188.3 Ų88.317%0.17448%0.478CS..Hα-helixtrans-63.1-38.8178.200000112.7Q207 L208 I275 L282Q207-A211 WeakPolarHBondContact O-CB 3.31Å; Q207-A211 PolarHBondContact O-N 2.96Å; L208-A211 PolarHBondContact O-N 3.4Å; A211-I275 HydrophobicContact CB-CD1 4.31Å; A211-I275 HydrophobicContact CB-CG2 4.49Å; A211-L282 HydrophobicContact CB-CD1 3.43Å; A211-L282 VanDerWaalsContact CB-CD1 3.43Å; A211-L282 HydrophobicContact CB-CD2 4.49Å
212I35.9Very low34.1Very low26 Ų2682.1 Ų82.113%0.13345%0.447CS..Hα-helixtrans-69.1-38.5-177.9-71.6163.1000111.5L208 L219 L242 K261L208-I212 HydrophobicContact CD2-CD1 4.09Å; L208-I212 HydrophobicContact CG-CD1 4.23Å; L208-I212 WeakPolarHBondContact O-CB 3.4Å; L208-I212 VanDerWaalsContact O-CD1 3.28Å; L208-I212 WeakPolarHBondContact O-CD1 3.28Å; L208-I212 WeakPolarHBondContact O-CG1 3.19Å; L208-I212 PolarHBondContact O-N 3.04Å; I212-L219 HydrophobicContact CB-CD1 4.09Å; I212-L219 HydrophobicContact CG2-CD1 3.95Å; I212-L219 HydrophobicContact CG2-CD2 4.01Å; I212-L219 HydrophobicContact CG2-CG 4.3Å; I212-L242 HydrophobicContact CD1-CD1 4.39Å; I212-L242 HydrophobicContact CD1-CD2 4.03Å; I212-K261 PolarHBondContact O-NZ 3.37Å
213D37Very low33.8Very low34 Ų3483.2 Ų83.218%0.18245%0.449CS..Hα-helixtrans-112.5-30.5-161.7-144.8-14.5000114.6I209 S215 H218 L219I209-D213 PolarHBondContact O-N 3.47Å; D213-S215 WeakPolarHBondContact CB-O 3.12Å; D213-S215 PolarHBondContact O-N 2.94Å; D213-S215 VanDerWaalsContact OD1-O 3.06Å; D213-H218 IonicContact OD1-CD2 3.44Å; D213-H218 PolarHBondContact OD2-N 2.84Å; D213-L219 HydrophobicContact CB-CD1 4.18Å; D213-L219 PolarHBondContact OD2-N 3.31Å
214G32.5Very low33.3Very low81 Ų8184.3 Ų84.384%0.83545%0.448SS*.SBendtrans57.6-12.5-165.700000115N210N210-G214 PolarHBondContact O-N 3.27Å; N210-G214 VanDerWaalsContact O-N 3.1Å
215S31.4Very low32.9Very low63 Ų6385.2 Ų85.244%0.44144%0.441SS..SBendtrans-152.7102.1173.861.50000108.9D213 D217D213-S215 WeakPolarHBondContact CB-O 3.12Å; D213-S215 PolarHBondContact O-N 2.94Å; D213-S215 VanDerWaalsContact OD1-O 3.06Å; S215-D217 PolarHBondContact O-N 3.37Å
216A27.1Very low32.3Very low49 Ų4984.2 Ų84.241%0.40544%0.438SS..THydrogen-bonded Turntrans-57.315.4-171.200000118.7
217D28.5Very low31.7Very low132 Ų13278.9 Ų78.971%0.70642%0.416SS*.THydrogen-bonded Turntrans-93.9-11.1-172.8-76.9-21.8000114.3S215S215-D217 PolarHBondContact O-N 3.37Å
218H28.4Very low31Very low134 Ų13476.8 Ų76.862%0.6242%0.416SS*.SBendtrans-96.4-19-179-67.7-45.6000114.1D213D213-H218 IonicContact OD1-CD2 3.44Å; D213-H218 PolarHBondContact OD2-N 2.84Å
219L27.5Very low30.4Very low31 Ų3179.3 Ų79.316%0.16243%0.432CS..G310 helixtrans-81.4-10.9-177.2-77.8169.7000116.6I209 I212 D213 Y221 C222 L242I209-L219 HydrophobicContact CB-CD1 4.29Å; I209-L219 HydrophobicContact CG1-CD1 4.41Å; I209-L219 HydrophobicContact CG2-CD1 3.97Å; I212-L219 HydrophobicContact CB-CD1 4.09Å; I212-L219 HydrophobicContact CG2-CD1 3.95Å; I212-L219 HydrophobicContact CG2-CD2 4.01Å; I212-L219 HydrophobicContact CG2-CG 4.3Å; D213-L219 HydrophobicContact CB-CD1 4.18Å; D213-L219 PolarHBondContact OD2-N 3.31Å; L219-Y221 PolarHBondContact O-N 2.97Å; L219-C222 HydrophobicContact CD2-CB 3.77Å; L219-C222 WeakPolarHBondContact CD2-SG 3.41Å; L219-C222 PolarHBondContact O-N 3.23Å; L219-L242 HydrophobicContact CD2-CD1 4.17Å
220Y26.1Very low29.7Very low204 Ų20482.8 Ų82.880%0.845%0.447SS*.G310 helixtrans-59.8-8.1175.8-92.1-82.1000114.1
221Y27.3Very low29.2Very low162 Ų16281.1 Ų81.164%0.63544%0.438SS*.G310 helixtrans-113.81.5175.7-61.7-77000114.8L219 Q223L219-Y221 PolarHBondContact O-N 2.97Å; Y221-Q223 PolarHBondContact O-N 2.85Å
222C27.4Very low28.7Very low30 Ų3087.7 Ų87.720%0.20346%0.463CS..  trans-76.2117173.7-83.20000110.1L219 L242L219-C222 HydrophobicContact CD2-CB 3.77Å; L219-C222 WeakPolarHBondContact CD2-SG 3.41Å; L219-C222 PolarHBondContact O-N 3.23Å; C222-L242 HydrophobicContact CB-CD1 4.12Å
223Q27.7Very low28.2Very low110 Ų11093.4 Ų93.451%0.51449%0.493SS..EExtended strand (participates in β ladder)trans-84.9112.6167.3-71.1-175.39.100107.8Y221 Y225Y221-Q223 PolarHBondContact O-N 2.85Å; Q223-Y225 HydrophobicContact CB-CD2 4.23Å; Q223-Y225 HydrophobicContact CB-CE2 3.67Å; Q223-Y225 VanDerWaalsContact O-CD2 3.26Å; Q223-Y225 WeakPolarHBondContact O-CD2 3.28Å; Q223-Y225 PolarHBondContact O-N 2.81Å; Q223-Y225 PolarHBondContact OE1-OH 3.18Å
224L29.1Very low27.5Very low97 Ų9796.7 Ų96.751%0.50852%0.515SS..EExtended strand (participates in β ladder)trans-72110.7170.8-70.7160.9000108.2L242L224-L242 HydrophobicContact CD2-CB 3.66Å; L224-L242 HydrophobicContact CD2-CD2 4.46Å; L224-L242 HydrophobicContact CD2-CG 4.45Å
225Y28Very low27.1Very low74 Ų7496.7 Ų96.729%0.2950%0.496SS..EExtended strand (participates in β ladder)trans-96.1135.2174.9-71.8-86.6000110Q223 A227 I241 L242 C243 K244Q223-Y225 HydrophobicContact CB-CD2 4.23Å; Q223-Y225 HydrophobicContact CB-CE2 3.67Å; Q223-Y225 VanDerWaalsContact O-CD2 3.26Å; Q223-Y225 WeakPolarHBondContact O-CD2 3.28Å; Q223-Y225 PolarHBondContact O-N 2.81Å; Q223-Y225 PolarHBondContact OE1-OH 3.18Å; Y225-A227 PolarHBondContact O-N 3.21Å; Y225-I241 HydrophobicContact CD2-CG2 3.93Å; Y225-L242 PolarHBondContact N-O 2.96Å; Y225-C243 CarbonylContact O-C 3.5Å; Y225-C243 WeakPolarHBondContact O-CA 3.15Å; Y225-K244 WeakPolarHBondContact O-CB 3.44Å; Y225-K244 PolarHBondContact O-N 3.43Å
226D28Very low27Very low59 Ų5998.4 Ų98.432%0.31651%0.505SS..EExtended strand (participates in β ladder)trans-71.1117.1169.6-171-24.8000109.6S228 V229D226-S228 PolarHBondContact O-N 3.19Å; D226-S228 VanDerWaalsContact OD1-CB 3.28Å; D226-S228 WeakPolarHBondContact OD1-CB 3.3Å; D226-S228 PolarHBondContact OD1-N 3.47Å; D226-S228 PolarHBondContact OD1-OG 3.29Å; D226-S228 PolarHBondContact OD2-OG 2.79Å; D226-V229 HydrophobicContact CB-CG2 4.12Å; D226-V229 WeakPolarHBondContact O-CB 3.5Å; D226-V229 PolarHBondContact O-N 2.91Å
227A29.7Very low26.9Very low17 Ų17103.7 Ų103.714%0.1452%0.521CS..THydrogen-bonded Turntrans-65.5-15.9-178.800000112.9Y225 V229 C243 K244 M356Y225-A227 PolarHBondContact O-N 3.21Å; A227-V229 PolarHBondContact O-N 3.37Å; A227-C243 HydrophobicContact CB-CB 4.29Å; A227-K244 WeakPolarHBondContact CB-O 3.07Å; A227-K244 PolarHBondContact N-O 3.38Å; A227-M356 HydrophobicContact CB-CG 4.18Å
228S26.4Very low26.7Very low86 Ų86100.3 Ų100.360%0.60151%0.505SS*.THydrogen-bonded Turntrans-69.8-18.7171.768.80000112.9D226 Q230D226-S228 PolarHBondContact O-N 3.19Å; D226-S228 VanDerWaalsContact OD1-CB 3.28Å; D226-S228 WeakPolarHBondContact OD1-CB 3.3Å; D226-S228 PolarHBondContact OD1-N 3.47Å; D226-S228 PolarHBondContact OD1-OG 3.29Å; D226-S228 PolarHBondContact OD2-OG 2.79Å; S228-Q230 PolarHBondContact O-N 3.34Å
229V25.8Very low26.6Very low93 Ų9399.2 Ų99.256%0.56450%0.5SS*.SBendtrans-82.299.4174.4-172.60000107.7D226 A227 L231D226-V229 HydrophobicContact CB-CG2 4.12Å; D226-V229 WeakPolarHBondContact O-CB 3.5Å; D226-V229 PolarHBondContact O-N 2.91Å; A227-V229 PolarHBondContact O-N 3.37Å; V229-L231 PolarHBondContact O-N 3.25Å
230Q25.8Very low26.6Very low139 Ų139100.2 Ų100.265%0.6551%0.506SS*.  trans-51.5104.9166.8-76.8-173.1-0.600108.7S228 K232S228-Q230 PolarHBondContact O-N 3.34Å; Q230-K232 PolarHBondContact O-N 2.98Å
231L28.5Very low26.7Very low61 Ų6191.1 Ų91.132%0.31947%0.471SS..  trans-71.261.4173-91.2145.9000109.3V229 N233V229-L231 PolarHBondContact O-N 3.25Å; L231-N233 PolarHBondContact O-N 3.28Å
232K24.7Very low27Very low159 Ų15984.1 Ų84.169%0.69144%0.444SS*.  trans-68.4101.5165.4-83.7-179.2177168.30106.8Q230Q230-K232 PolarHBondContact O-N 2.98Å
233N24.5Very low27Very low146 Ų14683 Ų8378%0.78144%0.436SS*.SBendtrans67.877.3165.6-48.3-34.9000114.2L231L231-N233 PolarHBondContact O-N 3.28Å
234T22.7Very low27.1Very low104 Ų10480.5 Ų80.564%0.63842%0.424SS*.  trans173.5103.4139.723.60000110.7P236T234-P236 HydrophobicContact CG2-CG 4.29Å
235L25.2Very low27Very low81 Ų8176 Ų7642%0.42440%0.401SS..  trans-11986.8152.7-76.5171000107.5H237 I241L235-H237 VanDerWaalsContact C-N 3.27Å; L235-H237 PolarHBondContact O-N 3.17Å; L235-I241 HydrophobicContact CD1-CD1 3.64Å; L235-I241 HydrophobicContact CD2-CD1 3.56Å; L235-I241 HydrophobicContact CG-CD1 4.26Å
236P28.5Very low26.9Very low98 Ų9874.5 Ų74.564%0.63640%0.401SS*.SBendtrans-70-25.1-177.1-16.230.3000112.7T234T234-P236 HydrophobicContact CG2-CG 4.29Å
237H24.2Very low26.8Very low161 Ų16176.1 Ų76.175%0.74540%0.403SS*.SBendtrans-151.1110.6-179.1-69.7-53.3000108.9L235 Q239L235-H237 VanDerWaalsContact C-N 3.27Å; L235-H237 PolarHBondContact O-N 3.17Å; H237-Q239 VanDerWaalsContact C-N 3.31Å; H237-Q239 PolarHBondContact O-N 3.31Å
238V25.7Very low26.7Very low60 Ų6083.3 Ų83.336%0.36443%0.434SS..  trans-71.888.9178.1-173.20000108.6Q339V238-Q339 HydrophobicContact CB-CG 4.28Å; V238-Q339 HydrophobicContact CG1-CB 3.96Å; V238-Q339 HydrophobicContact CG1-CG 3.7Å
239Q25.8Very low26.8Very low111 Ų11181.9 Ų81.952%0.51942%0.418SS..PPolyproline II helixtrans-93.3155.6155.4-74.2179.9-19.800107.7H237 I241H237-Q239 VanDerWaalsContact C-N 3.31Å; H237-Q239 PolarHBondContact O-N 3.31Å; Q239-I241 VanDerWaalsContact O-CG1 3.27Å; Q239-I241 WeakPolarHBondContact O-CG1 3.27Å; Q239-I241 PolarHBondContact O-N 3.47Å
240D28.2Very low27Very low53 Ų5379.3 Ų79.328%0.28340%0.402SS..PPolyproline II helixtrans-46.8119.5-172.9-53.2-48.1000112L340D240-L340 CarbonylContact C-O 3.56Å; D240-L340 WeakPolarHBondContact CA-O 3.37Å; D240-L340 HydrophobicContact CB-CB 4.26Å; D240-L340 PolarHBondContact OD1-N 3.03Å
241I27.9Very low27Very low12 Ų1276.9 Ų76.96%0.06239%0.393CS..EExtended strand (participates in β ladder)trans-102.9116.3-175-59.1-179.8000108Y225 L235 Q239 L340 I341 G342Y225-I241 HydrophobicContact CD2-CG2 3.93Å; L235-I241 HydrophobicContact CD1-CD1 3.64Å; L235-I241 HydrophobicContact CD2-CD1 3.56Å; L235-I241 HydrophobicContact CG-CD1 4.26Å; Q239-I241 VanDerWaalsContact O-CG1 3.27Å; Q239-I241 WeakPolarHBondContact O-CG1 3.27Å; Q239-I241 PolarHBondContact O-N 3.47Å; I241-L340 PolarHBondContact N-O 3.22Å; I241-L340 VanDerWaalsContact N-O 3.1Å; I241-I341 CarbonylContact O-C 3.34Å; I241-I341 WeakPolarHBondContact O-CA 3.46Å; I241-G342 PolarHBondContact O-N 3.47Å
242L32.6Very low27Very low16 Ų1676.3 Ų76.38%0.08440%0.395CS..EExtended strand (participates in β ladder)trans-97.8115.3160.8-92.8124.8000108.5I212 L219 C222 L224 Y225 G342I212-L242 HydrophobicContact CD1-CD1 4.39Å; I212-L242 HydrophobicContact CD1-CD2 4.03Å; L219-L242 HydrophobicContact CD2-CD1 4.17Å; C222-L242 HydrophobicContact CB-CD1 4.12Å; L224-L242 HydrophobicContact CD2-CB 3.66Å; L224-L242 HydrophobicContact CD2-CD2 4.46Å; L224-L242 HydrophobicContact CD2-CG 4.45Å; Y225-L242 PolarHBondContact N-O 2.96Å; L242-G342 WeakPolarHBondContact CA-O 3.29Å
243C28.9Very low27.1Very low5 Ų575.4 Ų75.43%0.03441%0.405CS..EExtended strand (participates in β ladder)trans-88.9110.6173.4-79.10000110Y225 A227 S245 G342 M356Y225-C243 CarbonylContact O-C 3.5Å; Y225-C243 WeakPolarHBondContact O-CA 3.15Å; A227-C243 HydrophobicContact CB-CB 4.29Å; C243-S245 PolarHBondContact O-N 2.66Å; C243-G342 PolarHBondContact N-O 3.27Å; C243-M356 HydrophobicContact CB-CE 3.51Å; C243-M356 HydrophobicContact CB-SD 3.84Å; C243-M356 WeakPolarHBondContact SG-CE 3.39Å
244K28.9Very low27.2Very low59 Ų5971 Ų7126%0.25739%0.389SS..EExtended strand (participates in β ladder)trans-73.4111.4176.7-155.2-175.3-175.4-178.90107.9Y225 A227 Y247 V250Y225-K244 WeakPolarHBondContact O-CB 3.44Å; Y225-K244 PolarHBondContact O-N 3.43Å; A227-K244 WeakPolarHBondContact CB-O 3.07Å; A227-K244 PolarHBondContact N-O 3.38Å; K244-Y247 VanDerWaalsContact NZ-CD2 3.35Å; K244-V250 HydrophobicContact CG-CG2 4.44Å
245S26.9Very low27.4Very low3 Ų366.3 Ų66.32%0.02136%0.36CS..  trans-55.6150.2154.149.10000107.6C243 Y247 V250C243-S245 PolarHBondContact O-N 2.66Å; S245-Y247 PolarHBondContact O-N 3.36Å; S245-V250 VanDerWaalsContact O-CG2 3.31Å; S245-V250 WeakPolarHBondContact O-CG2 3.41Å
246S26.3Very low27.7Very low42 Ų4266.3 Ų66.329%0.29436%0.358SS..  trans-47137.7-16866.40000111.5E248 Q249 V250S246-E248 PolarHBondContact O-N 3.01Å; S246-Q249 WeakPolarHBondContact O-CA 3.38Å; S246-Q249 WeakPolarHBondContact O-CB 3.37Å; S246-Q249 PolarHBondContact O-N 3.45Å; S246-Q249 PolarHBondContact OG-OE1 3.34Å; S246-V250 PolarHBondContact O-N 2.96Å
247Y26.1Very low28Very low92 Ų9262.8 Ų62.836%0.36133%0.333SS..Hα-helixtrans-52.9-25.6-171.9-177.7-110000113.7S200 K244 S245 L251S200-Y247 PolarHBondContact OG-OH 2.9Å; K244-Y247 VanDerWaalsContact NZ-CD2 3.35Å; S245-Y247 PolarHBondContact O-N 3.36Å; Y247-L251 HydrophobicContact CD1-CD1 3.74Å; Y247-L251 HydrophobicContact CE1-CD1 3.4Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.4Å; Y247-L251 HydrophobicContact CE1-CG 4.38Å; Y247-L251 HydrophobicContact CE2-CD1 4.36Å; Y247-L251 HydrophobicContact CG-CD1 4.36Å; Y247-L251 VanDerWaalsContact O-CG 3.28Å; Y247-L251 WeakPolarHBondContact O-CG 3.46Å; Y247-L251 PolarHBondContact O-N 3.39Å
248E26.7Very low28.3Very low168 Ų16856.1 Ų56.179%0.78530%0.304SS*.Hα-helixtrans-70.8-32.9174.4-69.5-179.3162.300113.3S246S246-E248 PolarHBondContact O-N 3.01Å
249Q28.9Very low28.8Very low56 Ų5653.4 Ų53.426%0.26229%0.287SS..Hα-helixtrans-72.5-40.4172.3-74.6175.3-52.200111.6S246 L251 S252 C255S246-Q249 WeakPolarHBondContact O-CA 3.38Å; S246-Q249 WeakPolarHBondContact O-CB 3.37Å; S246-Q249 PolarHBondContact O-N 3.45Å; S246-Q249 PolarHBondContact OG-OE1 3.34Å; Q249-L251 PolarHBondContact O-N 2.86Å; Q249-S252 WeakPolarHBondContact O-CB 3.35Å; Q249-S252 PolarHBondContact O-N 3.1Å; Q249-C255 WeakPolarHBondContact O-CB 3.48Å
250V29.6Very low29.1Very low40 Ų4049.9 Ų49.924%0.24227%0.272CS..Hα-helixtrans-62.7-24.7176.8178.70000112.3K244 S245 S246 F257K244-V250 HydrophobicContact CG-CG2 4.44Å; S245-V250 VanDerWaalsContact O-CG2 3.31Å; S245-V250 WeakPolarHBondContact O-CG2 3.41Å; S246-V250 PolarHBondContact O-N 2.96Å; V250-F257 HydrophobicContact CB-CE1 4.3Å; V250-F257 HydrophobicContact CB-CZ 4.44Å; V250-F257 HydrophobicContact CG1-CE1 3.89Å; V250-F257 HydrophobicContact CG1-CZ 3.89Å; V250-F257 HydrophobicContact CG2-CE1 4.35Å; V250-F257 WeakPolarHBondContact O-CZ 3.37Å
251L26.4Very low29.5Very low88 Ų8849.3 Ų49.346%0.46127%0.267SS..THydrogen-bonded Turntrans-92-5.3177.7-69.5174000113.5Y247 Q249 P253Y247-L251 HydrophobicContact CD1-CD1 3.74Å; Y247-L251 HydrophobicContact CE1-CD1 3.4Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.4Å; Y247-L251 HydrophobicContact CE1-CG 4.38Å; Y247-L251 HydrophobicContact CE2-CD1 4.36Å; Y247-L251 HydrophobicContact CG-CD1 4.36Å; Y247-L251 VanDerWaalsContact O-CG 3.28Å; Y247-L251 WeakPolarHBondContact O-CG 3.46Å; Y247-L251 PolarHBondContact O-N 3.39Å; Q249-L251 PolarHBondContact O-N 2.86Å; L251-P253 WeakPolarHBondContact O-CD 3.42Å
252S28.4Very low29.7Very low49 Ų4949.6 Ų49.634%0.34327%0.268SS..  trans-75.4122.9176.3-1780000109.5Q249 A254 C255Q249-S252 WeakPolarHBondContact O-CB 3.35Å; Q249-S252 PolarHBondContact O-N 3.1Å; S252-A254 PolarHBondContact O-N 3.1Å; S252-A254 VanDerWaalsContact O-N 3.09Å; S252-A254 PolarHBondContact OG-N 3.37Å; S252-C255 VanDerWaalsContact O-CB 3.31Å; S252-C255 WeakPolarHBondContact O-CB 3.34Å; S252-C255 PolarHBondContact O-N 2.82Å
253P26.8Very low29.7Very low140 Ų14049.5 Ų49.591%0.90927%0.27SS*.THydrogen-bonded Turntrans-61.6-16.6174.2-12.122.5000113.3L251 C255L251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-C255 VanDerWaalsContact C-N 3.34Å
254A26.1Very low29.8Very low53 Ų5351.9 Ų51.944%0.43829%0.287SS..THydrogen-bonded Turntrans-82.2-12.4175.500000112.9S252 Q256S252-A254 PolarHBondContact O-N 3.1Å; S252-A254 VanDerWaalsContact O-N 3.09Å; S252-A254 PolarHBondContact OG-N 3.37Å; A254-Q256 PolarHBondContact O-N 3.46Å
255C28.3Very low29.8Very low6 Ų652.8 Ų52.84%0.04129%0.294CS..  trans-7994.1-178.5-166.20000109.5Q249 S252 P253 F257Q249-C255 WeakPolarHBondContact O-CB 3.48Å; S252-C255 VanDerWaalsContact O-CB 3.31Å; S252-C255 WeakPolarHBondContact O-CB 3.34Å; S252-C255 PolarHBondContact O-N 2.82Å; P253-C255 VanDerWaalsContact C-N 3.34Å; C255-F257 WeakPolarHBondContact O-CD2 3.44Å; C255-F257 PolarHBondContact O-N 3.32Å
256Q31Very low30.1Very low81 Ų8157.9 Ų57.938%0.37932%0.321SS..  trans-66118.6167.5-69.3175.1-10.300108.4A254 L347A254-Q256 PolarHBondContact O-N 3.46Å; Q256-L347 HydrophobicContact CB-CB 4.33Å; Q256-L347 HydrophobicContact CB-CD1 3.63Å; Q256-L347 HydrophobicContact CB-CG 4.21Å; Q256-L347 HydrophobicContact CG-CD1 4.47Å
257F33.7Very low30.4Very low24 Ų2463.8 Ų63.811%0.10534%0.344CS..  trans-79.3143.9179.5-65-80.9000110.1L208 V250 C255 I275 T277L208-F257 HydrophobicContact CD1-CD1 4.34Å; L208-F257 HydrophobicContact CD1-CD2 4.35Å; L208-F257 HydrophobicContact CD1-CG 4.19Å; V250-F257 HydrophobicContact CB-CE1 4.3Å; V250-F257 HydrophobicContact CB-CZ 4.44Å; V250-F257 HydrophobicContact CG1-CE1 3.89Å; V250-F257 HydrophobicContact CG1-CZ 3.89Å; V250-F257 HydrophobicContact CG2-CE1 4.35Å; V250-F257 WeakPolarHBondContact O-CZ 3.37Å; C255-F257 WeakPolarHBondContact O-CD2 3.44Å; C255-F257 PolarHBondContact O-N 3.32Å; F257-I275 CarbonylContact C-O 3.6Å; F257-T277 HydrophobicContact CB-CG2 4.11Å; F257-T277 HydrophobicContact CD2-CG2 4.28Å; F257-T277 WeakPolarHBondContact CD2-OG1 3.34Å; F257-T277 PolarHBondContact N-OG1 2.84Å
258C31.7Very low30.6Very low20 Ų2067.1 Ų67.114%0.13536%0.36CS..BIsolated β-bridgetrans-128.7106.3160.5-77.60000107.2I260 V274 I275 C344C258-I260 PolarHBondContact O-N 3.44Å; C258-V274 HydrophobicContact CB-CG1 3.97Å; C258-V274 VanDerWaalsContact SG-CG1 3.56Å; C258-I275 WeakPolarHBondContact CA-O 3.38Å; C258-C344 WeakPolarHBondContact O-CA 3.29Å
259V35.9Very low30.6Very low4 Ų461.8 Ų61.82%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-88.3101.21741790000108.9K261 S273 I275V259-K261 PolarHBondContact O-N 3.08Å; V259-S273 CarbonylContact C-O 3.39Å; V259-S273 CarbonylContact O-C 3.57Å; V259-I275 HydrophobicContact CB-CB 4.22Å; V259-I275 HydrophobicContact CB-CD1 3.94Å; V259-I275 HydrophobicContact CB-CG1 4.13Å; V259-I275 HydrophobicContact CG1-CD1 4.42Å; V259-I275 HydrophobicContact CG2-CB 4.41Å; V259-I275 HydrophobicContact CG2-CD1 4.24Å
260I32.8Very low31Very low37 Ų3760.9 Ų60.919%0.1934%0.335CS..EExtended strand (participates in β ladder)trans-77.4106.4175.4-61-171.5000110.3C258 L262 F272 S273 G342 I343 F345C258-I260 PolarHBondContact O-N 3.44Å; I260-L262 HydrophobicContact CG2-CD1 4.37Å; I260-L262 PolarHBondContact O-N 3.18Å; I260-F272 HydrophobicContact CG2-CB 4.42Å; I260-F272 HydrophobicContact CG2-CD1 3.31Å; I260-F272 HydrophobicContact CG2-CE1 3.85Å; I260-F272 HydrophobicContact CG2-CG 4.24Å; I260-S273 WeakPolarHBondContact CA-O 3.47Å; I260-G342 VanDerWaalsContact O-CA 3.31Å; I260-G342 WeakPolarHBondContact O-CA 3.21Å; I260-I343 PolarHBondContact N-O 3.05Å; I260-F345 HydrophobicContact CD1-CD2 4.27Å; I260-F345 HydrophobicContact CD1-CE2 3.61Å; I260-F345 HydrophobicContact CG1-CE2 4.22Å
261K36.4Very low31Very low41 Ų4160.1 Ų60.118%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-75.8102.8169.2-72.5-176175.91770109.9I212 V259 A271 F272 S273 L340I212-K261 PolarHBondContact O-NZ 3.37Å; V259-K261 PolarHBondContact O-N 3.08Å; K261-A271 CarbonylContact O-C 3.55Å; K261-F272 WeakPolarHBondContact O-CA 3.45Å; K261-S273 PolarHBondContact N-O 2.87Å; K261-S273 VanDerWaalsContact N-O 3.17Å; K261-L340 HydrophobicContact CB-CD2 3.88Å; K261-L340 HydrophobicContact CD-CD2 3.84Å; K261-L340 HydrophobicContact CG-CD2 3.68Å
262L31.1Very low31.5Very low18 Ų1856.5 Ų56.59%0.09431%0.313CS..EExtended strand (participates in β ladder)trans-87.3120172.8-142.3103000110.1I260 Y270 A271 F272 L340 I341 L360I260-L262 HydrophobicContact CG2-CD1 4.37Å; I260-L262 PolarHBondContact O-N 3.18Å; L262-Y270 HydrophobicContact CD2-CD1 3.39Å; L262-Y270 HydrophobicContact CD2-CE1 3.72Å; L262-Y270 HydrophobicContact CD2-CG 4.31Å; L262-Y270 HydrophobicContact CG-CD1 3.85Å; L262-Y270 HydrophobicContact CG-CG 4.42Å; L262-A271 WeakPolarHBondContact CA-O 3.33Å; L262-F272 HydrophobicContact CD1-CD1 4.3Å; L262-F272 HydrophobicContact CD1-CE1 3.39Å; L262-F272 HydrophobicContact CD1-CZ 3.55Å; L262-F272 HydrophobicContact CG-CZ 4.38Å; L262-L340 WeakPolarHBondContact O-CA 3.38Å; L262-I341 HydrophobicContact CB-CB 4.14Å; L262-I341 PolarHBondContact N-O 3.43Å; L262-I341 PolarHBondContact O-N 3.28Å; L262-L360 HydrophobicContact CD1-CD1 4.22Å
263A34Very low31.7Very low14 Ų1454.4 Ų54.412%0.11630%0.298CS..EExtended strand (participates in β ladder)trans-124.5108.8168.500000110.2L265 Y270 A271 L338A263-L265 PolarHBondContact O-N 3.18Å; A263-L265 VanDerWaalsContact O-N 3.1Å; A263-Y270 WeakPolarHBondContact O-CA 3.46Å; A263-A271 HydrophobicContact CB-CB 4.24Å; A263-A271 PolarHBondContact N-O 3.49Å; A263-A271 PolarHBondContact O-N 2.87Å; A263-A271 VanDerWaalsContact O-N 3.16Å; A263-L338 HydrophobicContact CB-CD2 3.79Å
264S30.1Very low32.1Very low55 Ų5549.6 Ų49.639%0.38527%0.267SS..EExtended strand (participates in β ladder)trans-65.9108.3169152.40000108.8E267 C269S264-E267 PolarHBondContact OG-N 3.46Å; S264-C269 WeakPolarHBondContact CA-O 3.42Å
265L29.6Very low32.7Very low78 Ų7847.3 Ų47.341%0.40825%0.247SC..SBendtrans-78.8-29.7178-84.4153.9000112.4A263 C269 L288A263-L265 PolarHBondContact O-N 3.18Å; A263-L265 VanDerWaalsContact O-N 3.1Å; L265-C269 HydrophobicContact CB-CB 4.25Å; L265-C269 PolarHBondContact N-O 3.06Å; L265-L288 HydrophobicContact CD1-CD2 3.62Å
266N31.4Very low33Very low109 Ų10949.2 Ų49.258%0.58326%0.257SS*.SBendtrans-168.447.1178.4-79.8-42.5000112.1K268N266-K268 PolarHBondContact O-N 3.44Å
267E33.5Very low33.2Very low166 Ų16648.1 Ų48.178%0.77626%0.256SS*.SBendtrans61.8-8.6-175.1-55.8179.4173.500116S264S264-E267 PolarHBondContact OG-N 3.46Å
268K30.3Very low33Very low163 Ų16348.2 Ų48.271%0.70926%0.264SS*.SBendtrans-124.3-18.4-175.2-65.4-172177.8-173.40115.7N266N266-K268 PolarHBondContact O-N 3.44Å
269C27.7Very low33.1Very low56 Ų5654.5 Ų54.538%0.37830%0.296SS..EExtended strand (participates in β ladder)trans-124.6131.6-178.3-63.40000108.7S264 L265S264-C269 WeakPolarHBondContact CA-O 3.42Å; L265-C269 HydrophobicContact CB-CB 4.25Å; L265-C269 PolarHBondContact N-O 3.06Å
270Y35.4Very low33.1Very low37 Ų3762.5 Ų62.515%0.14534%0.338CS..EExtended strand (participates in β ladder)trans-120.3125.5-179.8-60.2-84.5000107.2L262 A263 F272 Y289 A291L262-Y270 HydrophobicContact CD2-CD1 3.39Å; L262-Y270 HydrophobicContact CD2-CE1 3.72Å; L262-Y270 HydrophobicContact CD2-CG 4.31Å; L262-Y270 HydrophobicContact CG-CD1 3.85Å; L262-Y270 HydrophobicContact CG-CG 4.42Å; A263-Y270 WeakPolarHBondContact O-CA 3.46Å; Y270-F272 HydrophobicContact CG-CE2 4.46Å; Y270-F272 HydrophobicContact CG-CZ 4.38Å; Y270-F272 VanDerWaalsContact O-CD2 3.31Å; Y270-F272 WeakPolarHBondContact O-CD2 3.48Å; Y270-F272 WeakPolarHBondContact O-CE2 3.25Å; Y270-Y289 PolarHBondContact N-O 2.85Å; Y270-Y289 PolarHBondContact O-N 3.41Å; Y270-A291 HydrophobicContact CE2-CB 4.46Å
271A31.4Very low32.9Very low23 Ų2367.7 Ų67.719%0.1936%0.362CS..EExtended strand (participates in β ladder)trans-76.1145.9164.100000108.3K261 L262 A263 L288K261-A271 CarbonylContact O-C 3.55Å; L262-A271 WeakPolarHBondContact CA-O 3.33Å; A263-A271 HydrophobicContact CB-CB 4.24Å; A263-A271 PolarHBondContact N-O 3.49Å; A263-A271 PolarHBondContact O-N 2.87Å; A263-A271 VanDerWaalsContact O-N 3.16Å; A271-L288 HydrophobicContact CB-CD2 4.1Å
272F35.7Very low32.7Very low13 Ų1370.4 Ų70.46%0.05738%0.378CS..EExtended strand (participates in β ladder)trans-127.6125.4172.7-63.1-104.1000106.5I260 K261 L262 Y270 E287 Y289 L294I260-F272 HydrophobicContact CG2-CB 4.42Å; I260-F272 HydrophobicContact CG2-CD1 3.31Å; I260-F272 HydrophobicContact CG2-CE1 3.85Å; I260-F272 HydrophobicContact CG2-CG 4.24Å; K261-F272 WeakPolarHBondContact O-CA 3.45Å; L262-F272 HydrophobicContact CD1-CD1 4.3Å; L262-F272 HydrophobicContact CD1-CE1 3.39Å; L262-F272 HydrophobicContact CD1-CZ 3.55Å; L262-F272 HydrophobicContact CG-CZ 4.38Å; Y270-F272 HydrophobicContact CG-CE2 4.46Å; Y270-F272 HydrophobicContact CG-CZ 4.38Å; Y270-F272 VanDerWaalsContact O-CD2 3.31Å; Y270-F272 WeakPolarHBondContact O-CD2 3.48Å; Y270-F272 WeakPolarHBondContact O-CE2 3.25Å; F272-E287 PolarHBondContact N-O 3.19Å; F272-E287 PolarHBondContact O-N 3.44Å; F272-E287 VanDerWaalsContact O-N 3.11Å; F272-Y289 HydrophobicContact CB-CD2 4.14Å; F272-Y289 HydrophobicContact CB-CE2 4.48Å; F272-Y289 AromaticContact CD2-CD2 3.64Å; F272-Y289 HydrophobicContact CD2-CD2 3.64Å; F272-Y289 HydrophobicContact CD2-CG 4.29Å; F272-Y289 HydrophobicContact CE2-CD2 4.42Å; F272-Y289 AromaticContact CG-CD2 3.99Å; F272-Y289 HydrophobicContact CG-CD2 3.99Å; F272-L294 HydrophobicContact CD1-CD1 4.37Å; F272-L294 HydrophobicContact CD2-CD1 3.86Å; F272-L294 HydrophobicContact CE1-CD1 3.66Å; F272-L294 HydrophobicContact CE1-CD2 4.08Å; F272-L294 HydrophobicContact CE1-CG 4.48Å; F272-L294 HydrophobicContact CE2-CD1 3.03Å; F272-L294 HydrophobicContact CE2-CG 4.33Å; F272-L294 HydrophobicContact CZ-CD1 2.97Å; F272-L294 HydrophobicContact CZ-CD2 4.2Å; F272-L294 HydrophobicContact CZ-CG 4.16Å
273S33.5Very low32.6Very low4 Ų473.9 Ų73.93%0.02840%0.395CS..EExtended strand (participates in β ladder)trans-108.5136.8160.8-480000107.1V259 I260 K261 T285 D286V259-S273 CarbonylContact C-O 3.39Å; V259-S273 CarbonylContact O-C 3.57Å; I260-S273 WeakPolarHBondContact CA-O 3.47Å; K261-S273 PolarHBondContact N-O 2.87Å; K261-S273 VanDerWaalsContact N-O 3.17Å; S273-T285 VanDerWaalsContact CA-O 3.3Å; S273-T285 WeakPolarHBondContact CA-O 3.49Å; S273-D286 PolarHBondContact OG-OD1 3.46Å
274V35.1Very low32.5Very low40 Ų4078.7 Ų78.724%0.24241%0.411CS..EExtended strand (participates in β ladder)trans-108135168177.50000106.6C258 I283C258-V274 HydrophobicContact CB-CG1 3.97Å; C258-V274 VanDerWaalsContact SG-CG1 3.56Å; V274-I283 VanDerWaalsContact O-O 3.07Å
275I37.6Very low32.5Very low4 Ų478.4 Ų78.42%0.02141%0.407CS..EExtended strand (participates in β ladder)trans-111.5103.6171.3-59.7179.7000106A211 F257 C258 V259 T277 L282A211-I275 HydrophobicContact CB-CD1 4.31Å; A211-I275 HydrophobicContact CB-CG2 4.49Å; F257-I275 CarbonylContact C-O 3.6Å; C258-I275 WeakPolarHBondContact CA-O 3.38Å; V259-I275 HydrophobicContact CB-CB 4.22Å; V259-I275 HydrophobicContact CB-CD1 3.94Å; V259-I275 HydrophobicContact CB-CG1 4.13Å; V259-I275 HydrophobicContact CG1-CD1 4.42Å; V259-I275 HydrophobicContact CG2-CB 4.41Å; V259-I275 HydrophobicContact CG2-CD1 4.24Å; I275-T277 HydrophobicContact CG2-CG2 4.16Å; I275-L282 HydrophobicContact CG2-CD1 3.39Å; I275-L282 HydrophobicContact CG2-CG 4.26Å
276D34.6Very low32.7Very low47 Ų4780 Ų8025%0.25142%0.416SS..EExtended strand (participates in β ladder)trans-81.7130.2167.9-172.4-6.2000108.3G278D276-G278 PolarHBondContact OD1-N 2.94Å
277T35Very low32.9Very low58 Ų5876.8 Ų76.836%0.35640%0.398SS..  trans-108.516.8177.461.50000112.7F257 I275F257-T277 HydrophobicContact CB-CG2 4.11Å; F257-T277 HydrophobicContact CD2-CG2 4.28Å; F257-T277 WeakPolarHBondContact CD2-OG1 3.34Å; F257-T277 PolarHBondContact N-OG1 2.84Å; I275-T277 HydrophobicContact CG2-CG2 4.16Å
278G31.2Very low33Very low26 Ų2673.3 Ų73.327%0.26838%0.384SS..G310 helixtrans-63.1143.3170.100000113D276 D280 E281D276-G278 PolarHBondContact OD1-N 2.94Å; G278-D280 PolarHBondContact O-N 3.07Å; G278-D280 VanDerWaalsContact O-N 3.14Å; G278-E281 PolarHBondContact O-N 3.26Å
279D33.7Very low33.1Very low151 Ų15167.8 Ų67.881%0.80736%0.359SS*.G310 helixtrans35.655.6170.5-70.7-10.8000117E281D279-E281 PolarHBondContact O-N 2.93Å
280D34.4Very low33.3Very low172 Ų17268.4 Ų68.492%0.9236%0.359SS*.G310 helixtrans63.75.6167.8-67.9-34.2000116.8G278G278-D280 PolarHBondContact O-N 3.07Å; G278-D280 VanDerWaalsContact O-N 3.14Å
281E29.3Very low33.4Very low147 Ų14768 Ų6869%0.68736%0.363SS*.  trans-116.8116.2176.8-74.7-166.2166.600112.6G278 D279 I283G278-E281 PolarHBondContact O-N 3.26Å; D279-E281 PolarHBondContact O-N 2.93Å; E281-I283 PolarHBondContact O-N 3.42Å
282L31.6Very low33.7Very low98 Ų9874.3 Ų74.351%0.51339%0.389SS..  trans-71.4104.8172.7-170.792.6000110.1A211 I275A211-L282 HydrophobicContact CB-CD1 3.43Å; A211-L282 VanDerWaalsContact CB-CD1 3.43Å; A211-L282 HydrophobicContact CB-CD2 4.49Å; I275-L282 HydrophobicContact CG2-CD1 3.39Å; I275-L282 HydrophobicContact CG2-CG 4.26Å
283I28.8Very low33.8Very low90 Ų9076 Ų7646%0.46240%0.4SS..EExtended strand (participates in β ladder)trans-90.9117.3174.2-54.6178000108.9V274 E281 T285V274-I283 VanDerWaalsContact O-O 3.07Å; E281-I283 PolarHBondContact O-N 3.42Å; I283-T285 HydrophobicContact CG2-CG2 4.4Å
284Y32.8Very low34.1Very low115 Ų11576.7 Ų76.745%0.45140%0.404SS..EExtended strand (participates in β ladder)trans-106.1113.1175.5-176.4-91.3000109.5D286Y284-D286 HydrophobicContact CE1-CB 4.42Å; Y284-D286 VanDerWaalsContact CE1-OD1 3.24Å; Y284-D286 WeakPolarHBondContact CE1-OD1 3.18Å; Y284-D286 WeakPolarHBondContact CE1-OD2 3.38Å; Y284-D286 PolarHBondContact OH-OD1 2.95Å; Y284-D286 PolarHBondContact OH-OD2 3.36Å
285T29.6Very low34.2Very low49 Ų4977.4 Ų77.430%0.30141%0.408SS..EExtended strand (participates in β ladder)trans-116123.4171.642.20000110.1S273 I283S273-T285 VanDerWaalsContact CA-O 3.3Å; S273-T285 WeakPolarHBondContact CA-O 3.49Å; I283-T285 HydrophobicContact CG2-CG2 4.4Å
286D34.1Very low34.2Very low111 Ų11182.7 Ų82.759%0.59443%0.433SS*.EExtended strand (participates in β ladder)trans-92.1108.6167.8-83.2-25.6000108.1S273 Y284S273-D286 PolarHBondContact OG-OD1 3.46Å; Y284-D286 HydrophobicContact CE1-CB 4.42Å; Y284-D286 VanDerWaalsContact CE1-OD1 3.24Å; Y284-D286 WeakPolarHBondContact CE1-OD1 3.18Å; Y284-D286 WeakPolarHBondContact CE1-OD2 3.38Å; Y284-D286 PolarHBondContact OH-OD1 2.95Å; Y284-D286 PolarHBondContact OH-OD2 3.36Å
287E36.5Very low34.4Very low42 Ų4284.1 Ų84.120%0.19644%0.44CS..EExtended strand (participates in β ladder)trans-121.9130.2174.6-67.4-179.3160.100110.4F272 Y289F272-E287 PolarHBondContact N-O 3.19Å; F272-E287 PolarHBondContact O-N 3.44Å; F272-E287 VanDerWaalsContact O-N 3.11Å; E287-Y289 HydrophobicContact CB-CD2 4.14Å; E287-Y289 HydrophobicContact CB-CE2 3.49Å; E287-Y289 VanDerWaalsContact CB-CE2 3.49Å; E287-Y289 HydrophobicContact CG-CE2 4.49Å; E287-Y289 WeakPolarHBondContact OE2-CE2 3.18Å; E287-Y289 VanDerWaalsContact OE2-CZ 3.23Å; E287-Y289 PolarHBondContact OE2-OH 3.43Å
288L34.1Very low34.4Very low94 Ų9483.5 Ų83.549%0.49243%0.434SS..EExtended strand (participates in β ladder)trans-97.4104.1177.2-74.6160.5000108.4L265 A271 L324L265-L288 HydrophobicContact CD1-CD2 3.62Å; A271-L288 HydrophobicContact CB-CD2 4.1Å; L288-L324 HydrophobicContact CD1-CD1 3.47Å; L288-L324 VanDerWaalsContact CD1-CD1 3.47Å; L288-L324 HydrophobicContact CD1-CG 4.31Å
289Y32.5Very low34.5Very low47 Ų4786 Ų8618%0.18444%0.444CS..EExtended strand (participates in β ladder)trans-99.6129.4172.1-64.5-71.3000109.1Y270 F272 E287 T293 L294 L297Y270-Y289 PolarHBondContact N-O 2.85Å; Y270-Y289 PolarHBondContact O-N 3.41Å; F272-Y289 HydrophobicContact CB-CD2 4.14Å; F272-Y289 HydrophobicContact CB-CE2 4.48Å; F272-Y289 AromaticContact CD2-CD2 3.64Å; F272-Y289 HydrophobicContact CD2-CD2 3.64Å; F272-Y289 HydrophobicContact CD2-CG 4.29Å; F272-Y289 HydrophobicContact CE2-CD2 4.42Å; F272-Y289 AromaticContact CG-CD2 3.99Å; F272-Y289 HydrophobicContact CG-CD2 3.99Å; E287-Y289 HydrophobicContact CB-CD2 4.14Å; E287-Y289 HydrophobicContact CB-CE2 3.49Å; E287-Y289 VanDerWaalsContact CB-CE2 3.49Å; E287-Y289 HydrophobicContact CG-CE2 4.49Å; E287-Y289 WeakPolarHBondContact OE2-CE2 3.18Å; E287-Y289 VanDerWaalsContact OE2-CZ 3.23Å; E287-Y289 PolarHBondContact OE2-OH 3.43Å; Y289-T293 HydrophobicContact CD1-CG2 3.94Å; Y289-T293 HydrophobicContact CE1-CG2 4.48Å; Y289-L294 HydrophobicContact CG-CD1 4.2Å; Y289-L294 HydrophobicContact CG-CG 4.29Å; Y289-L297 HydrophobicContact CD1-CD1 3.54Å; Y289-L297 HydrophobicContact CE1-CD1 3.08Å
290N32.9Very low34.5Very low68 Ų6884.5 Ų84.536%0.36444%0.436SS..EExtended strand (participates in β ladder)trans-74.8158.716071.747.1000108.4E292 T293 L294N290-E292 PolarHBondContact O-N 2.85Å; N290-E292 WeakPolarHBondContact OD1-CB 3.38Å; N290-E292 PolarHBondContact OD1-N 3.42Å; N290-E292 VanDerWaalsContact OD1-N 3.11Å; N290-T293 PolarHBondContact ND2-OG1 3.35Å; N290-T293 VanDerWaalsContact ND2-OG1 3.13Å; N290-T293 PolarHBondContact O-N 2.88Å; N290-T293 PolarHBondContact OD1-N 3.02Å; N290-T293 PolarHBondContact OD1-OG1 3.11Å; N290-L294 PolarHBondContact O-N 3.06Å; N290-L294 VanDerWaalsContact O-N 3.11Å
291A36.1Very low34.5Very low30 Ų3084 Ų8425%0.24843%0.426CS..Hα-helixtrans-58-32.3-175.600000113.5Y270 T295Y270-A291 HydrophobicContact CE2-CB 4.46Å; A291-T295 PolarHBondContact O-N 2.82Å; A291-T295 PolarHBondContact O-OG1 3.34Å
292E37.7Very low34.8Very low155 Ų15586 Ų8672%0.72444%0.435SS*.Hα-helixtrans-69.5-46.3177.4-71.4175.7168.700111.5N290 L294 T295 E296N290-E292 PolarHBondContact O-N 2.85Å; N290-E292 WeakPolarHBondContact OD1-CB 3.38Å; N290-E292 PolarHBondContact OD1-N 3.42Å; N290-E292 VanDerWaalsContact OD1-N 3.11Å; E292-L294 VanDerWaalsContact C-N 3.25Å; E292-L294 PolarHBondContact O-N 3.26Å; E292-T295 WeakPolarHBondContact O-CB 3.43Å; E292-T295 PolarHBondContact O-N 3.25Å; E292-T295 VanDerWaalsContact O-N 3.13Å; E292-E296 PolarHBondContact O-N 2.85Å
293T38.8Very low34.8Very low48 Ų4888.9 Ų88.929%0.29445%0.446SS..Hα-helixtrans-63.3-33.1177.8-47.80000111.7Y289 N290 L297Y289-T293 HydrophobicContact CD1-CG2 3.94Å; Y289-T293 HydrophobicContact CE1-CG2 4.48Å; N290-T293 PolarHBondContact ND2-OG1 3.35Å; N290-T293 VanDerWaalsContact ND2-OG1 3.13Å; N290-T293 PolarHBondContact O-N 2.88Å; N290-T293 PolarHBondContact OD1-N 3.02Å; N290-T293 PolarHBondContact OD1-OG1 3.11Å; T293-L297 HydrophobicContact CG2-CD1 3.96Å; T293-L297 VanDerWaalsContact O-CB 3.29Å; T293-L297 WeakPolarHBondContact O-CB 3.3Å; T293-L297 WeakPolarHBondContact O-CD1 3.46Å; T293-L297 WeakPolarHBondContact O-CG 3.39Å; T293-L297 PolarHBondContact O-N 3.36Å
294L39.2Very low34.8Very low19 Ų1993.7 Ų93.710%0.09946%0.463CS..Hα-helixtrans-68.3-44.3172.1-114.1141.9000113.3F272 Y289 N290 E292 E296 L297 L298F272-L294 HydrophobicContact CD1-CD1 4.37Å; F272-L294 HydrophobicContact CD2-CD1 3.86Å; F272-L294 HydrophobicContact CE1-CD1 3.66Å; F272-L294 HydrophobicContact CE1-CD2 4.08Å; F272-L294 HydrophobicContact CE1-CG 4.48Å; F272-L294 HydrophobicContact CE2-CD1 3.03Å; F272-L294 HydrophobicContact CE2-CG 4.33Å; F272-L294 HydrophobicContact CZ-CD1 2.97Å; F272-L294 HydrophobicContact CZ-CD2 4.2Å; F272-L294 HydrophobicContact CZ-CG 4.16Å; Y289-L294 HydrophobicContact CG-CD1 4.2Å; Y289-L294 HydrophobicContact CG-CG 4.29Å; N290-L294 PolarHBondContact O-N 3.06Å; N290-L294 VanDerWaalsContact O-N 3.11Å; E292-L294 VanDerWaalsContact C-N 3.25Å; E292-L294 PolarHBondContact O-N 3.26Å; L294-E296 VanDerWaalsContact C-N 3.33Å; L294-L297 PolarHBondContact O-N 3.38Å; L294-L298 HydrophobicContact CD2-CD1 3.62Å; L294-L298 HydrophobicContact CD2-CG 4.28Å; L294-L298 VanDerWaalsContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CB 3.44Å; L294-L298 WeakPolarHBondContact O-CD1 3.24Å; L294-L298 WeakPolarHBondContact O-CG 3.33Å; L294-L298 PolarHBondContact O-N 3.37Å
295T37Very low34.6Very low54 Ų5493.1 Ų93.133%0.33148%0.477SS..Hα-helixtrans-59.5-50.2176.1-53.60000108.6A291 E292 L297 L298 T299A291-T295 PolarHBondContact O-N 2.82Å; A291-T295 PolarHBondContact O-OG1 3.34Å; E292-T295 WeakPolarHBondContact O-CB 3.43Å; E292-T295 PolarHBondContact O-N 3.25Å; E292-T295 VanDerWaalsContact O-N 3.13Å; T295-L297 PolarHBondContact O-N 2.86Å; T295-L298 CarbonylContact O-C 3.48Å; T295-L298 PolarHBondContact O-N 3.13Å; T295-T299 HydrophobicContact CG2-CG2 4.27Å; T295-T299 WeakPolarHBondContact O-CB 3.47Å; T295-T299 WeakPolarHBondContact O-CG2 3.33Å; T295-T299 PolarHBondContact O-N 3.08Å; T295-T299 PolarHBondContact O-OG1 2.89Å
296E38.6Very low34.9Very low116 Ų11698.5 Ų98.554%0.54250%0.503SS..Hα-helixtrans-56.7-49.4174.9-87.2179.2166.200112.8E292 L294 L298 T299 D300E292-E296 PolarHBondContact O-N 2.85Å; L294-E296 VanDerWaalsContact C-N 3.33Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 3.3Å; E296-T299 WeakPolarHBondContact CA-OG1 3.41Å; E296-T299 PolarHBondContact O-N 3.44Å; E296-T299 VanDerWaalsContact O-N 3.14Å; E296-T299 PolarHBondContact O-OG1 3.13Å; E296-D300 VanDerWaalsContact O-CB 3.26Å; E296-D300 WeakPolarHBondContact O-CB 3.49Å; E296-D300 PolarHBondContact O-N 3.49Å
297L38.2Very low34.6Very low76 Ų76102 Ų10240%0.39852%0.516SS..Hα-helixtrans-62.8-32179.1-87.7155.6000113.6Y289 T293 L294 T295Y289-L297 HydrophobicContact CD1-CD1 3.54Å; Y289-L297 HydrophobicContact CE1-CD1 3.08Å; T293-L297 HydrophobicContact CG2-CD1 3.96Å; T293-L297 VanDerWaalsContact O-CB 3.29Å; T293-L297 WeakPolarHBondContact O-CB 3.3Å; T293-L297 WeakPolarHBondContact O-CD1 3.46Å; T293-L297 WeakPolarHBondContact O-CG 3.39Å; T293-L297 PolarHBondContact O-N 3.36Å; L294-L297 PolarHBondContact O-N 3.38Å; T295-L297 PolarHBondContact O-N 2.86Å
298L35.6Very low34.2Very low46 Ų46104.7 Ų104.724%0.24154%0.54CS..Hα-helixtrans-82.9-24.3176.5-68.7166.7000112.2L294 T295 E296 H352 Y357L294-L298 HydrophobicContact CD2-CD1 3.62Å; L294-L298 HydrophobicContact CD2-CG 4.28Å; L294-L298 VanDerWaalsContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CB 3.44Å; L294-L298 WeakPolarHBondContact O-CD1 3.24Å; L294-L298 WeakPolarHBondContact O-CG 3.33Å; L294-L298 PolarHBondContact O-N 3.37Å; T295-L298 CarbonylContact O-C 3.48Å; T295-L298 PolarHBondContact O-N 3.13Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 3.3Å; L298-H352 PolarHBondContact O-CE1 3.49Å; L298-H352 VanDerWaalsContact O-CE1 3.32Å; L298-H352 PolarHBondContact O-NE2 3.03Å; L298-Y357 HydrophobicContact CD1-CE2 3.85Å; L298-Y357 HydrophobicContact CD2-CE2 4.18Å; L298-Y357 HydrophobicContact CG-CE2 4.47Å
299T33Very low34Very low77 Ų77108.4 Ų108.447%0.47256%0.56SS.*Hα-helixtrans-98-28.7-179.553.80000114.6T295 E296 K301T295-T299 HydrophobicContact CG2-CG2 4.27Å; T295-T299 WeakPolarHBondContact O-CB 3.47Å; T295-T299 WeakPolarHBondContact O-CG2 3.33Å; T295-T299 PolarHBondContact O-N 3.08Å; T295-T299 PolarHBondContact O-OG1 2.89Å; E296-T299 WeakPolarHBondContact CA-OG1 3.41Å; E296-T299 PolarHBondContact O-N 3.44Å; E296-T299 VanDerWaalsContact O-N 3.14Å; E296-T299 PolarHBondContact O-OG1 3.13Å; T299-K301 VanDerWaalsContact C-N 3.29Å; T299-K301 PolarHBondContact O-N 3.43Å
300D33Very low33.6Very low121 Ų121111 Ų11165%0.64758%0.577SS**G310 helixtrans-81.33.5-171.7-91.95.2000114.7E296 E302E296-D300 VanDerWaalsContact O-CB 3.26Å; E296-D300 WeakPolarHBondContact O-CB 3.49Å; E296-D300 PolarHBondContact O-N 3.49Å; D300-E302 VanDerWaalsContact C-N 3.33Å; D300-E302 PolarHBondContact O-N 2.81Å
301K35.7Very low33.3Very low160 Ų160112.1 Ų112.170%0.69660%0.596SS**G310 helixtrans-84.12.7175.4-77.6-156.5175.6-1710115.3T299T299-K301 VanDerWaalsContact C-N 3.29Å; T299-K301 PolarHBondContact O-N 3.43Å
302E34.3Very low32.8Very low190 Ų190119.3 Ų119.389%0.88862%0.618SS**G310 helixtrans-81.6-8.3174.2-87.8-165.2158.100115.1D300D300-E302 VanDerWaalsContact C-N 3.33Å; D300-E302 PolarHBondContact O-N 2.81Å
303E32.2Very low32.1Very low158 Ų158116.8 Ų116.874%0.73861%0.609SS**SBendtrans-128.2107.1178.9-72.9-165.1168.300114
304K28.5Very low31.4Very low191 Ų191117.9 Ų117.983%0.8362%0.619SS**  trans88.8123.3168.2-51.2160.8-1721670112.7
305S29.1Very low30.7Very low104 Ų104122.8 Ų122.873%0.72764%0.644SS**  cis-160.1133.926.246.90000109.7
306D35.5Very low29.9Very low161 Ų161122.9 Ų122.986%0.86165%0.647SS**  trans-51.1145.8152.5-69.4-48.6000109.1
307E28.3Very low29.1Very low184 Ų184123.1 Ų123.186%0.8665%0.652SS**  trans92.873.9-179.5-52-179.817500116.3
308S28.3Very low28.2Very low100 Ų100126.8 Ų126.870%0.69966%0.662SS**  168.4128.6117.546.60000110.5D310S308-D310 PolarHBondContact O-N 3.11Å
309D29.4Very low27.6Very low172 Ų172134.2 Ų134.292%0.9269%0.688SS**  trans-64.617.6178.9-78-36.7000114.7A311D309-A311 PolarHBondContact O-N 3.11Å
310D24Very low26.9Very low102 Ų102137.3 Ų137.355%0.54571%0.707SS.*  trans-95.568.8172.1-72.6-24.8000109.5S308 Y312 N313S308-D310 PolarHBondContact O-N 3.11Å; D310-Y312 PolarHBondContact O-N 3.2Å; D310-N313 PolarHBondContact O-N 3.05Å; D310-N313 VanDerWaalsContact O-N 3.09Å
311A26.8Very low26.2Very low90 Ų90138.2 Ų138.274%0.74471%0.712SS**G310 helixtrans-52.7-17167.800000112.7D309 N313D309-A311 PolarHBondContact O-N 3.11Å; A311-N313 VanDerWaalsContact C-N 3.32Å; A311-N313 PolarHBondContact O-N 3.2Å
312Y25.2Very low25.5Very low182 Ų182137.7 Ų137.771%0.71472%0.717SS**G310 helixtrans-65.3-17.5174.6-77-83.9000115.9D310D310-Y312 PolarHBondContact O-N 3.2Å
313N22.9Very low24.8Very low101 Ų101135.2 Ų135.254%0.5471%0.709SS.*G310 helixtrans-96.58.8-172.7-91.5-32.2000116.6D310 A311 S316D310-N313 PolarHBondContact O-N 3.05Å; D310-N313 VanDerWaalsContact O-N 3.09Å; A311-N313 VanDerWaalsContact C-N 3.32Å; A311-N313 PolarHBondContact O-N 3.2Å; N313-S316 WeakPolarHBondContact CA-OG 3.46Å; N313-S316 PolarHBondContact O-OG 2.93Å; N313-S316 VanDerWaalsContact O-OG 3.11Å; N313-S316 PolarHBondContact OD1-OG 3.04Å
314S24.1Very low24.4Very low71 Ų71133.5 Ų133.550%0.49770%0.704SS.*SBendtrans-82.2-24.2177.4-69.70000114.5
315L24.4Very low24.2Very low122 Ų122128.5 Ų128.564%0.63969%0.691SS**SBendtrans-97-5.5176.8-74164.1000112.7N317L315-N317 VanDerWaalsContact C-N 3.28Å; L315-N317 PolarHBondContact O-N 3.4Å; L315-N317 VanDerWaalsContact O-N 3.08Å
316S21.3Very low24Very low56 Ų56128.6 Ų128.639%0.39270%0.698SS.*THydrogen-bonded Turntrans-7912.5-165.563.30000116.5N313N313-S316 WeakPolarHBondContact CA-OG 3.46Å; N313-S316 PolarHBondContact O-OG 2.93Å; N313-S316 VanDerWaalsContact O-OG 3.11Å; N313-S316 PolarHBondContact OD1-OG 3.04Å
317N20.7Very low23.4Very low122 Ų122126.5 Ų126.565%0.65269%0.691SS**THydrogen-bonded Turntrans-142.913.7-176.3-79.7-52000117.8L315 Y319L315-N317 VanDerWaalsContact C-N 3.28Å; L315-N317 PolarHBondContact O-N 3.4Å; L315-N317 VanDerWaalsContact O-N 3.08Å; N317-Y319 VanDerWaalsContact O-CD2 3.26Å; N317-Y319 WeakPolarHBondContact O-CD2 3.26Å; N317-Y319 PolarHBondContact O-N 3.21Å
318Y21.1Very low23.3Very low153 Ų153123.9 Ų123.960%0.668%0.683SS**  trans-90.9113.7-175.5-71.4-78.7000114
319Y21.1Very low23.5Very low202 Ų202123.4 Ų123.479%0.79268%0.676SS**  trans-64.9127.8-173.5-77.8-106.8000112.6N317 N321N317-Y319 VanDerWaalsContact O-CD2 3.26Å; N317-Y319 WeakPolarHBondContact O-CD2 3.26Å; N317-Y319 PolarHBondContact O-N 3.21Å; Y319-N321 PolarHBondContact O-N 3.11Å
320T19.3Very low23.4Very low142 Ų142119.7 Ų119.787%0.87166%0.664SS**  trans-68.8105.5159.544.90000108.7
321N18.9Very low23.7Very low140 Ų140118.1 Ų118.175%0.74967%0.672SS**  trans-105.9126.3162.2-91.5-40.7000109Y319Y319-N321 PolarHBondContact O-N 3.11Å
322D20Very low23.7Very low149 Ų149119.3 Ų119.380%0.79767%0.674SS**  trans-35.1148.5167.1-69.1-54.2000113.5
323L20.8Very low24Very low138 Ų138118.6 Ų118.672%0.72368%0.682SS**  trans94.6117.3173.3-54.1149.3000112.5P325L323-P325 HydrophobicContact CD2-CG 3.72Å
324L23.6Very low24.3Very low122 Ų122122.2 Ų122.264%0.63969%0.693SS**  -131.5122.176.6-78.6169.3000114.4L288L288-L324 HydrophobicContact CD1-CD1 3.47Å; L288-L324 VanDerWaalsContact CD1-CD1 3.47Å; L288-L324 HydrophobicContact CD1-CG 4.31Å
325P23.7Very low24.4Very low86 Ų86125.1 Ų125.156%0.55871%0.71SS**  trans-62133.2153.3-7.523.8000108.3L323 T327L323-P325 HydrophobicContact CD2-CG 3.72Å; P325-T327 PolarHBondContact O-N 2.84Å
326A23.9Very low24.4Very low106 Ų106125.3 Ų125.388%0.87671%0.71SS**  trans-43.8108.4174.800000110.8D328A326-D328 PolarHBondContact O-N 3.25Å
327T24.8Very low24.7Very low116 Ų116125.1 Ų125.171%0.71272%0.717SS**  trans-80.4115.6173-110000107P325 T329P325-T327 PolarHBondContact O-N 2.84Å; T327-T329 PolarHBondContact O-N 2.94Å
328D25.2Very low25Very low129 Ų129124.5 Ų124.569%0.6971%0.713SS**  trans-54.7114178.7-176.223.8000110.8A326 S330A326-D328 PolarHBondContact O-N 3.25Å; D328-S330 PolarHBondContact O-N 3.46Å; D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 2.96Å; D328-S330 WeakPolarHBondContact OD2-CB 3.39Å; D328-S330 PolarHBondContact OD2-OG 3.41Å
329T33Very low25.3Very low90 Ų90120.7 Ų120.755%0.55270%0.701SS**  trans-87.344173.448.20000111T327 G331T327-T329 PolarHBondContact O-N 2.94Å; T329-G331 PolarHBondContact O-N 3.45Å
330S26.6Very low25.7Very low95 Ų95114.2 Ų114.266%0.66468%0.68SS**THydrogen-bonded Turntrans-66.876.5174.248.50000110.8D328D328-S330 PolarHBondContact O-N 3.46Å; D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 2.96Å; D328-S330 WeakPolarHBondContact OD2-CB 3.39Å; D328-S330 PolarHBondContact OD2-OG 3.41Å
331G31.5Very low26.2Very low69 Ų69108.8 Ų108.871%0.71165%0.645SS**THydrogen-bonded Turntrans-170.3-25.7177.500000115.7T329T329-G331 PolarHBondContact O-N 3.45Å
332C26.8Very low26.9Very low115 Ų115102.5 Ų102.578%0.77761%0.613SS**  trans-113.5107.2-176.5-83.40000112.6K334C332-K334 VanDerWaalsContact C-N 3.27Å; C332-K334 PolarHBondContact O-N 2.84Å
333N31.2Very low27.4Very low167 Ų16795.8 Ų95.889%0.89358%0.577SS**SBendtrans-71.770.4177.5-80.1-35.7000112.9
334K28Very low28Very low177 Ų17789.6 Ų89.677%0.7755%0.545SS*.SBendtrans174.6116.8153-94.6155.7-167-172.90107.8C332 I336C332-K334 VanDerWaalsContact C-N 3.27Å; C332-K334 PolarHBondContact O-N 2.84Å; K334-I336 VanDerWaalsContact C-N 3.31Å; K334-I336 PolarHBondContact O-N 2.95Å
335P26.4Very low28.4Very low131 Ų13185.1 Ų85.185%0.85152%0.52SS*.  trans-73.195.1165.829.4-28.5000107.3G337P335-G337 PolarHBondContact O-N 3.29Å; P335-G337 VanDerWaalsContact O-N 3.1Å
336I25.5Very low28.7Very low127 Ų12781.8 Ų81.865%0.65150%0.498SS*.  trans-62.3104.1145.5-61.3176.8000102.9K334 Q339K334-I336 VanDerWaalsContact C-N 3.31Å; K334-I336 PolarHBondContact O-N 2.95Å; I336-Q339 HydrophobicContact CG2-CG 3.8Å
337G26.1Very low29.2Very low51 Ų5181.2 Ų81.253%0.52648%0.48SS..  trans-51.9147174.900000109P335 Q339P335-G337 PolarHBondContact O-N 3.29Å; P335-G337 VanDerWaalsContact O-N 3.1Å; G337-Q339 PolarHBondContact O-N 2.96Å
338L27.5Very low29.5Very low110 Ų11082.7 Ų82.758%0.57648%0.479SS*.  trans-34.2105172.6-70.1151.9000109.3A263 L340A263-L338 HydrophobicContact CB-CD2 3.79Å; L338-L340 PolarHBondContact O-N 2.85Å
339Q28.2Very low30.1Very low73 Ų7381.9 Ų81.934%0.34147%0.471SS..  trans-80.3107.8177.6-76.2172.9-8.600105.8V238 I336 G337V238-Q339 HydrophobicContact CB-CG 4.28Å; V238-Q339 HydrophobicContact CG1-CB 3.96Å; V238-Q339 HydrophobicContact CG1-CG 3.7Å; I336-Q339 HydrophobicContact CG2-CG 3.8Å; G337-Q339 PolarHBondContact O-N 2.96Å
340L29.9Very low30.3Very low66 Ų6680.4 Ų80.435%0.34646%0.464SS..EExtended strand (participates in β ladder)trans-82.8122.1176.1-87.7118.8000109.3D240 I241 K261 L262 L338D240-L340 CarbonylContact C-O 3.56Å; D240-L340 WeakPolarHBondContact CA-O 3.37Å; D240-L340 HydrophobicContact CB-CB 4.26Å; D240-L340 PolarHBondContact OD1-N 3.03Å; I241-L340 PolarHBondContact N-O 3.22Å; I241-L340 VanDerWaalsContact N-O 3.1Å; K261-L340 HydrophobicContact CB-CD2 3.88Å; K261-L340 HydrophobicContact CD-CD2 3.84Å; K261-L340 HydrophobicContact CG-CD2 3.68Å; L262-L340 WeakPolarHBondContact O-CA 3.38Å; L338-L340 PolarHBondContact O-N 2.85Å
341I29Very low30.9Very low28 Ų2877.9 Ų77.914%0.14445%0.446CS..EExtended strand (participates in β ladder)trans-110.2120164.5-58.1174.9000106.3I241 L262 I343I241-I341 CarbonylContact O-C 3.34Å; I241-I341 WeakPolarHBondContact O-CA 3.46Å; L262-I341 HydrophobicContact CB-CB 4.14Å; L262-I341 PolarHBondContact N-O 3.43Å; L262-I341 PolarHBondContact O-N 3.28Å; I341-I343 HydrophobicContact CG2-CG1 4.16Å
342G32.3Very low31.3Very low7 Ų778.4 Ų78.47%0.07243%0.43CS..EExtended strand (participates in β ladder)trans-100.7120.2172.100000110.2I241 L242 C243 I260I241-G342 PolarHBondContact O-N 3.47Å; L242-G342 WeakPolarHBondContact CA-O 3.29Å; C243-G342 PolarHBondContact N-O 3.27Å; I260-G342 VanDerWaalsContact O-CA 3.31Å; I260-G342 WeakPolarHBondContact O-CA 3.21Å
343I31.9Very low32Very low8 Ų879.6 Ų79.64%0.04143%0.428CS..EExtended strand (participates in β ladder)trans-113.8127.4171.4-50.1180000107.8I260 I341 F345 M356 L360I260-I343 PolarHBondContact N-O 3.05Å; I341-I343 HydrophobicContact CG2-CG1 4.16Å; I343-F345 HydrophobicContact CB-CE2 4Å; I343-F345 HydrophobicContact CB-CZ 4.27Å; I343-F345 HydrophobicContact CG2-CD2 4.32Å; I343-F345 HydrophobicContact CG2-CE1 4.17Å; I343-F345 HydrophobicContact CG2-CE2 3.66Å; I343-F345 HydrophobicContact CG2-CZ 3.6Å; I343-M356 HydrophobicContact CB-CE 4.34Å; I343-M356 HydrophobicContact CD1-CE 3.45Å; I343-M356 VanDerWaalsContact CD1-CE 3.45Å; I343-M356 HydrophobicContact CG1-CE 3.51Å; I343-M356 HydrophobicContact CG2-CB 4.3Å; I343-M356 HydrophobicContact CG2-CE 4.03Å; I343-L360 HydrophobicContact CD1-CD1 3.67Å
344C32.4Very low32.4Very low9 Ų973.4 Ų73.46%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-96.7130.4172.2-62.40000109.8C258C258-C344 WeakPolarHBondContact O-CA 3.29Å
345F32Very low32.9Very low27 Ų2769 Ų6912%0.11838%0.383CS..  trans-109147.7170.7-60.8-88.1000110.1I260 I343 C351 H354I260-F345 HydrophobicContact CD1-CD2 4.27Å; I260-F345 HydrophobicContact CD1-CE2 3.61Å; I260-F345 HydrophobicContact CG1-CE2 4.22Å; I343-F345 HydrophobicContact CB-CE2 4Å; I343-F345 HydrophobicContact CB-CZ 4.27Å; I343-F345 HydrophobicContact CG2-CD2 4.32Å; I343-F345 HydrophobicContact CG2-CE1 4.17Å; I343-F345 HydrophobicContact CG2-CE2 3.66Å; I343-F345 HydrophobicContact CG2-CZ 3.6Å; F345-C351 HydrophobicContact CD1-CB 4.08Å; F345-C351 HydrophobicContact CE1-CB 4.11Å; F345-H354 HydrophobicContact CE1-CB 4.33Å
346D31.1Very low33.5Very low17 Ų1763.2 Ų63.29%0.09135%0.345CS..  trans-87.4117.8160175.74.3000106.9E348 H349D346-E348 PolarHBondContact O-N 3.48Å; D346-E348 PolarHBondContact OD1-N 3.23Å; D346-E348 VanDerWaalsContact OD1-N 3.14Å; D346-H349 PolarHBondContact O-N 3.07Å; D346-H349 VanDerWaalsContact O-N 3.09Å; D346-H349 IonicContact OD2-CE1 3.45Å; D346-H349 PolarHBondContact OD2-CE1 2.91Å; D346-H349 IonicContact OD2-ND1 2.69Å; D346-H349 PolarHBondContact OD2-ND1 2.92Å
347L33.2Very low34.3Very low94 Ų9458.4 Ų58.449%0.49232%0.319SS..THydrogen-bonded Turntrans-64.9-15.9-177-77.9177.7000113.4Q256 H349Q256-L347 HydrophobicContact CB-CB 4.33Å; Q256-L347 HydrophobicContact CB-CD1 3.63Å; Q256-L347 HydrophobicContact CB-CG 4.21Å; Q256-L347 HydrophobicContact CG-CD1 4.47Å; L347-H349 VanDerWaalsContact C-N 3.27Å; L347-H349 PolarHBondContact O-N 3.33Å
348E31.7Very low35.1Very low147 Ų14760.5 Ų60.569%0.68732%0.318SS*.THydrogen-bonded Turntrans-74.1-17.9173.9-65.3-168.6168.800113.1D346D346-E348 PolarHBondContact O-N 3.48Å; D346-E348 PolarHBondContact OD1-N 3.23Å; D346-E348 VanDerWaalsContact OD1-N 3.14Å
349H37.1Very low35.7Very low112 Ų11258.1 Ų58.152%0.51931%0.305SS..SBendtrans-107.9130.5-179.7-67.981.8000110.3D346 L347 C351D346-H349 PolarHBondContact O-N 3.07Å; D346-H349 VanDerWaalsContact O-N 3.09Å; D346-H349 IonicContact OD2-CE1 3.45Å; D346-H349 PolarHBondContact OD2-CE1 2.91Å; D346-H349 IonicContact OD2-ND1 2.69Å; D346-H349 PolarHBondContact OD2-ND1 2.92Å; L347-H349 VanDerWaalsContact C-N 3.27Å; L347-H349 PolarHBondContact O-N 3.33Å; H349-C351 PolarHBondContact O-N 3.42Å; H349-C351 VanDerWaalsContact O-N 3.14Å
350S37.7Very low36.3Very low59 Ų5955.7 Ų55.741%0.41329%0.294SS..  trans-50.1123.3174.4174.10000110H352 D353S350-H352 PolarHBondContact O-N 3.04Å; S350-H352 VanDerWaalsContact O-N 3.08Å; S350-H352 PolarHBondContact OG-N 3.39Å; S350-D353 PolarHBondContact O-N 2.8Å
351C39.2Very low36.8Very low42 Ų4255.2 Ų55.228%0.28429%0.291SS..G310 helixtrans-56.6-27.7178.767.60000112.2F345 H349 D353 H354 Y357F345-C351 HydrophobicContact CD1-CB 4.08Å; F345-C351 HydrophobicContact CE1-CB 4.11Å; H349-C351 PolarHBondContact O-N 3.42Å; H349-C351 VanDerWaalsContact O-N 3.14Å; C351-D353 PolarHBondContact O-N 3.3Å; C351-H354 WeakPolarHBondContact O-CB 3.45Å; C351-H354 PolarHBondContact O-N 2.77Å; C351-Y357 WeakPolarHBondContact O-CB 3.43Å
352H40.8Very low37.1Very low80 Ų8058.6 Ų58.637%0.3731%0.309SS..G310 helixtrans-68.7-28.3178.4-59.9-64000113.8L298 S350 H354 Y357L298-H352 PolarHBondContact O-CE1 3.49Å; L298-H352 VanDerWaalsContact O-CE1 3.32Å; L298-H352 PolarHBondContact O-NE2 3.03Å; S350-H352 PolarHBondContact O-N 3.04Å; S350-H352 VanDerWaalsContact O-N 3.08Å; S350-H352 PolarHBondContact OG-N 3.39Å; H352-H354 VanDerWaalsContact C-N 3.28Å; H352-H354 PolarHBondContact O-N 3.14Å; H352-Y357 AromaticContact CE1-CZ 3.76Å; H352-Y357 PolarHBondContact CE1-OH 3.23Å; H352-Y357 AromaticContact ND1-CE1 3.45Å; H352-Y357 WeakPolarHBondContact ND1-CE1 3.31Å; H352-Y357 AromaticContact ND1-CE2 3.7Å; H352-Y357 AromaticContact ND1-CZ 3.21Å; H352-Y357 PolarHBondContact ND1-OH 3.32Å
353D41.6Very low37.1Very low140 Ų14062.2 Ų62.275%0.74933%0.325SS*.G310 helixtrans-84.2-5.5180-66.5-38000112.4S350 C351S350-D353 PolarHBondContact O-N 2.8Å; C351-D353 PolarHBondContact O-N 3.3Å
354H39.4Very low37Very low37 Ų3765 Ų6517%0.17134%0.338CS..SBendtrans-77.7130.7-178.5-161.9-82.3000110.5F345 C351 H352 M356 Y357F345-H354 HydrophobicContact CE1-CB 4.33Å; C351-H354 WeakPolarHBondContact O-CB 3.45Å; C351-H354 PolarHBondContact O-N 2.77Å; H352-H354 VanDerWaalsContact C-N 3.28Å; H352-H354 PolarHBondContact O-N 3.14Å; H354-M356 WeakPolarHBondContact CE1-CG 3.37Å; H354-M356 WeakPolarHBondContact ND1-CB 3.17Å; H354-M356 WeakPolarHBondContact ND1-CG 3.26Å; H354-M356 PolarHBondContact ND1-N 2.82Å; H354-M356 VanDerWaalsContact ND1-N 3.18Å; H354-M356 PolarHBondContact O-N 3.27Å; H354-Y357 WeakPolarHBondContact O-CB 3.4Å; H354-Y357 PolarHBondContact O-N 3.49Å
355P38.6Very low36.5Very low84 Ų8468.3 Ų68.355%0.54537%0.366SS..Hα-helixtrans-55.8-26.2179.8-25.432.6000114.2M359P355-M359 PolarHBondContact O-N 3.14Å; P355-M359 VanDerWaalsContact O-N 3.11Å
356M39.1Very low36.1Very low10 Ų1074.1 Ų74.15%0.04939%0.394CS..Hα-helixtrans-73.1-27.2174.8-66.2-85.3-57.300113.6A227 C243 I343 H354 M359 L360A227-M356 HydrophobicContact CB-CG 4.18Å; C243-M356 HydrophobicContact CB-CE 3.51Å; C243-M356 HydrophobicContact CB-SD 3.84Å; C243-M356 WeakPolarHBondContact SG-CE 3.39Å; I343-M356 HydrophobicContact CB-CE 4.34Å; I343-M356 HydrophobicContact CD1-CE 3.45Å; I343-M356 VanDerWaalsContact CD1-CE 3.45Å; I343-M356 HydrophobicContact CG1-CE 3.51Å; I343-M356 HydrophobicContact CG2-CB 4.3Å; I343-M356 HydrophobicContact CG2-CE 4.03Å; H354-M356 WeakPolarHBondContact CE1-CG 3.37Å; H354-M356 WeakPolarHBondContact ND1-CB 3.17Å; H354-M356 WeakPolarHBondContact ND1-CG 3.26Å; H354-M356 PolarHBondContact ND1-N 2.82Å; H354-M356 VanDerWaalsContact ND1-N 3.18Å; H354-M356 PolarHBondContact O-N 3.27Å; M356-M359 HydrophobicContact CE-CE 3.54Å; M356-M359 CarbonylContact O-C 3.59Å; M356-M359 PolarHBondContact O-N 2.86Å; M356-M359 HydrophobicContact SD-CE 3.34Å; M356-M359 WeakPolarHBondContact SD-CE 3.37Å; M356-M359 HydrophobicContact SD-SD 4.31Å; M356-L360 WeakPolarHBondContact O-CB 3.44Å; M356-L360 PolarHBondContact O-N 3.09Å
357Y41.9Very low35.7Very low25 Ų2584.2 Ų84.210%0.09843%0.43CS..Hα-helixtrans-65.6-48.7175.4-177.8-92000109.7L298 C351 H352 H354 M359 L360 M361L298-Y357 HydrophobicContact CD1-CE2 3.85Å; L298-Y357 HydrophobicContact CD2-CE2 4.18Å; L298-Y357 HydrophobicContact CG-CE2 4.47Å; C351-Y357 WeakPolarHBondContact O-CB 3.43Å; H352-Y357 AromaticContact CE1-CZ 3.76Å; H352-Y357 PolarHBondContact CE1-OH 3.23Å; H352-Y357 AromaticContact ND1-CE1 3.45Å; H352-Y357 WeakPolarHBondContact ND1-CE1 3.31Å; H352-Y357 AromaticContact ND1-CE2 3.7Å; H352-Y357 AromaticContact ND1-CZ 3.21Å; H352-Y357 PolarHBondContact ND1-OH 3.32Å; H354-Y357 WeakPolarHBondContact O-CB 3.4Å; H354-Y357 PolarHBondContact O-N 3.49Å; Y357-M359 VanDerWaalsContact C-N 3.27Å; Y357-M359 PolarHBondContact O-N 3.48Å; Y357-L360 WeakPolarHBondContact O-CB 3.29Å; Y357-L360 PolarHBondContact O-N 3.19Å; Y357-L360 VanDerWaalsContact O-N 3.09Å; Y357-M361 HydrophobicContact CD1-CG 4Å; Y357-M361 HydrophobicContact CE1-CE 4.43Å; Y357-M361 HydrophobicContact CE1-CG 3.66Å; Y357-M361 HydrophobicContact CE1-SD 4.41Å; Y357-M361 VanDerWaalsContact O-CG 3.3Å; Y357-M361 WeakPolarHBondContact O-CG 3.47Å; Y357-M361 PolarHBondContact O-N 2.88Å
358D42.6Very low35.2Very low96 Ų9685.4 Ų85.451%0.51344%0.442SS..Hα-helixtrans-55.8-43.5169.7-81.7-12.2000111.4L360 M361 N362D358-L360 PolarHBondContact O-N 3.14Å; D358-M361 PolarHBondContact O-N 3.49Å; D358-N362 WeakPolarHBondContact O-CB 3.35Å; D358-N362 PolarHBondContact O-N 2.5Å; D358-N362 PolarHBondContact O-ND2 3.04Å
359M40Very low34.7Very low59 Ų5987.1 Ų87.129%0.29145%0.45SS..Hα-helixtrans-63.8-39.5176.6-166.5-1787500112.4P355 M356 Y357 N362 M363P355-M359 PolarHBondContact O-N 3.14Å; P355-M359 VanDerWaalsContact O-N 3.11Å; M356-M359 HydrophobicContact CE-CE 3.54Å; M356-M359 CarbonylContact O-C 3.59Å; M356-M359 PolarHBondContact O-N 2.86Å; M356-M359 HydrophobicContact SD-CE 3.34Å; M356-M359 WeakPolarHBondContact SD-CE 3.37Å; M356-M359 HydrophobicContact SD-SD 4.31Å; Y357-M359 VanDerWaalsContact C-N 3.27Å; Y357-M359 PolarHBondContact O-N 3.48Å; M359-N362 PolarHBondContact O-N 2.96Å; M359-M363 HydrophobicContact CE-CE 4.11Å; M359-M363 HydrophobicContact CG-CG 4.4Å; M359-M363 VanDerWaalsContact O-CB 3.28Å; M359-M363 WeakPolarHBondContact O-CB 3.4Å; M359-M363 VanDerWaalsContact O-CG 3.22Å; M359-M363 WeakPolarHBondContact O-CG 3.21Å; M359-M363 PolarHBondContact O-N 3.39Å
360L41.3Very low34Very low23 Ų2387.5 Ų87.512%0.1246%0.459CS..Hα-helixtrans-65.3-47.3177.3-162.699.1000110.6L262 I343 M356 Y357 D358 N362 M363 Q364L262-L360 HydrophobicContact CD1-CD1 4.22Å; I343-L360 HydrophobicContact CD1-CD1 3.67Å; M356-L360 WeakPolarHBondContact O-CB 3.44Å; M356-L360 PolarHBondContact O-N 3.09Å; Y357-L360 WeakPolarHBondContact O-CB 3.29Å; Y357-L360 PolarHBondContact O-N 3.19Å; Y357-L360 VanDerWaalsContact O-N 3.09Å; D358-L360 PolarHBondContact O-N 3.14Å; L360-N362 VanDerWaalsContact C-N 3.35Å; L360-M363 HydrophobicContact CD1-CE 4.45Å; L360-M363 PolarHBondContact O-N 3.42Å; L360-Q364 WeakPolarHBondContact O-CG 3.26Å; L360-Q364 PolarHBondContact O-N 2.87Å
361M39.6Very low33.4Very low56 Ų5690.2 Ų90.228%0.27648%0.476SS..Hα-helixtrans-64.1-39.7176-63.6-59.3-96.700111.1Y357 D358 Q364 A365Y357-M361 HydrophobicContact CD1-CG 4Å; Y357-M361 HydrophobicContact CE1-CE 4.43Å; Y357-M361 HydrophobicContact CE1-CG 3.66Å; Y357-M361 HydrophobicContact CE1-SD 4.41Å; Y357-M361 VanDerWaalsContact O-CG 3.3Å; Y357-M361 WeakPolarHBondContact O-CG 3.47Å; Y357-M361 PolarHBondContact O-N 2.88Å; D358-M361 PolarHBondContact O-N 3.49Å; M361-Q364 PolarHBondContact O-N 3.47Å; M361-A365 WeakPolarHBondContact O-CB 3.47Å; M361-A365 PolarHBondContact O-N 3.31Å
362N35.4Very low32.7Very low98 Ų9897 Ų9752%0.52450%0.503SS..Hα-helixtrans-71.4-35.5176.5-72.5-37.6000112.6D358 M359 L360 Q364 A365 E366D358-N362 WeakPolarHBondContact O-CB 3.35Å; D358-N362 PolarHBondContact O-N 2.5Å; D358-N362 PolarHBondContact O-ND2 3.04Å; M359-N362 PolarHBondContact O-N 2.96Å; L360-N362 VanDerWaalsContact C-N 3.35Å; N362-Q364 VanDerWaalsContact C-N 3.33Å; N362-A365 CarbonylContact O-C 3.57Å; N362-A365 PolarHBondContact O-N 3.09Å; N362-A365 VanDerWaalsContact O-N 3.15Å; N362-E366 WeakPolarHBondContact O-CB 3.27Å; N362-E366 PolarHBondContact O-N 3.18Å
363M31.5Very low32Very low84 Ų84100 Ų10041%0.41453%0.527SS..Hα-helixtrans-68.6-31.7173.9-79.2-170.7-52.500112.1M359 L360 A365M359-M363 HydrophobicContact CE-CE 4.11Å; M359-M363 HydrophobicContact CG-CG 4.4Å; M359-M363 VanDerWaalsContact O-CB 3.28Å; M359-M363 WeakPolarHBondContact O-CB 3.4Å; M359-M363 VanDerWaalsContact O-CG 3.22Å; M359-M363 WeakPolarHBondContact O-CG 3.21Å; M359-M363 PolarHBondContact O-N 3.39Å; L360-M363 HydrophobicContact CD1-CE 4.45Å; L360-M363 PolarHBondContact O-N 3.42Å; M363-A365 VanDerWaalsContact C-N 3.32Å
364Q30.8Very low31.1Very low65 Ų65101.7 Ų101.730%0.30453%0.53SS..Hα-helixtrans-69.3-32.5169.5-72.3-176.42.700111.8L360 M361 N362L360-Q364 WeakPolarHBondContact O-CG 3.26Å; L360-Q364 PolarHBondContact O-N 2.87Å; M361-Q364 PolarHBondContact O-N 3.47Å; N362-Q364 VanDerWaalsContact C-N 3.33Å
365A22.5Very low30.4Very low80 Ų80104.3 Ų104.366%0.66156%0.558SS**Hα-helixtrans-81.9-37.3-179.100000113.9M361 N362 M363 R367M361-A365 WeakPolarHBondContact O-CB 3.47Å; M361-A365 PolarHBondContact O-N 3.31Å; N362-A365 CarbonylContact O-C 3.57Å; N362-A365 PolarHBondContact O-N 3.09Å; N362-A365 VanDerWaalsContact O-N 3.15Å; M363-A365 VanDerWaalsContact C-N 3.32Å; A365-R367 PolarHBondContact O-N 3.19Å
366E22.7Very low29.8Very low149 Ų149110.1 Ų110.170%0.69658%0.575SS**SBendtrans-9395.8-175.3-155.1173.9-153.900109.9N362 V368N362-E366 WeakPolarHBondContact O-CB 3.27Å; N362-E366 PolarHBondContact O-N 3.18Å; E366-V368 PolarHBondContact O-N 2.76Å
367R22.3Very low29Very low228 Ų228115.2 Ų115.286%0.8661%0.606SS**  trans-55.4105.2164.9-86.2-174.6173.8-166.1-2.4108.3A365 E369A365-R367 PolarHBondContact O-N 3.19Å; R367-E369 VanDerWaalsContact C-N 3.34Å; R367-E369 PolarHBondContact O-N 3.28Å
368V23.6Very low28.1Very low120 Ų120122.4 Ų122.473%0.72764%0.641SS**  trans-6797.2169.6-178.20000107.4E366 V370E366-V368 PolarHBondContact O-N 2.76Å; V368-V370 PolarHBondContact O-N 2.98Å
369E21.7Very low27.2Very low183 Ų183123 Ų12386%0.85565%0.647SS**  trans-65100.6169.9-75.4-171.9169.600108.5R367 P371R367-E369 VanDerWaalsContact C-N 3.34Å; R367-E369 PolarHBondContact O-N 3.28Å; E369-P371 WeakPolarHBondContact O-CD 3.42Å
370V22.5Very low26.3Very low120 Ų120128.3 Ų128.373%0.72767%0.672SS**PPolyproline II helixtrans-62.5124.8171-173.90000107.3V368 E372V368-V370 PolarHBondContact O-N 2.98Å; V370-E372 PolarHBondContact O-N 3.5Å
371P23.6Very low25.6Very low116 Ų116135.1 Ų135.175%0.75370%0.7SS**PPolyproline II helixtrans-58.4116.9-178.1-21.630.4000110.2E369 V373E369-P371 WeakPolarHBondContact O-CD 3.42Å; P371-V373 PolarHBondContact O-N 3.48Å
372E25.6Very low24.7Very low185 Ų185142 Ų14286%0.86473%0.729SS**PPolyproline II helixtrans-51.4126.3169.8-93.2-171.4150.900108.5V370 Q374V370-E372 PolarHBondContact O-N 3.5Å; E372-Q374 PolarHBondContact O-N 2.94Å
373V25.7Very low24.3Very low143 Ų143144.1 Ų144.187%0.86774%0.739SS**  trans-49.8102.4-178.4-1780000109.2P371 A375P371-V373 PolarHBondContact O-N 3.48Å; V373-A375 PolarHBondContact O-N 2.97Å
374Q22.6Very low23.8Very low175 Ų175145.6 Ų145.682%0.81876%0.758SS**  trans-56120.1173.8-76.6-1743.600108.3E372 K376E372-Q374 PolarHBondContact O-N 2.94Å; Q374-K376 PolarHBondContact O-N 3.45Å
375A25Very low23.5Very low92 Ų92148.7 Ų148.776%0.7678%0.781SS**  trans-51129179.600000110.1V373 V377V373-A375 PolarHBondContact O-N 2.97Å; A375-V377 PolarHBondContact O-N 3.18Å
376K26.5Very low23.6Very low206 Ų206150.5 Ų150.590%0.89679%0.786SS**  trans-22.397.5177.7-73.6175.1174.5175.50113.3Q374 E378Q374-K376 PolarHBondContact O-N 3.45Å; K376-E378 PolarHBondContact O-N 3.49Å
377V22.4Very low23.6Very low117 Ų117153.3 Ų153.371%0.70980%0.796SS**  trans-73111.5157.91790000106.3A375 V379A375-V377 PolarHBondContact O-N 3.18Å; V377-V379 VanDerWaalsContact C-N 3.3Å; V377-V379 PolarHBondContact O-N 3.41Å
378E23Very low23.8Very low175 Ų175151.2 Ų151.282%0.81880%0.796SS**  trans-65.187.9176.9-161176.4-152.100109.1K376 Q380K376-E378 PolarHBondContact O-N 3.49Å; E378-Q380 PolarHBondContact O-N 3.24Å
379V23.6Very low23.9Very low108 Ų108150.9 Ų150.966%0.65580%0.799SS**  trans-71.995.5174.2-177.40000107.6V377 K381V377-V379 VanDerWaalsContact C-N 3.3Å; V377-V379 PolarHBondContact O-N 3.41Å; V379-K381 HydrophobicContact CG1-CB 4.4Å; V379-K381 HydrophobicContact CG1-CD 4.46Å; V379-K381 HydrophobicContact CG1-CG 4.01Å; V379-K381 PolarHBondContact O-N 3.06Å
380Q20.8Very low24.3Very low171 Ų171150 Ų15080%0.79980%0.798SS**  trans-61.578161.5-75.2-172.79.500109.6E378 K382E378-Q380 PolarHBondContact O-N 3.24Å; Q380-K382 PolarHBondContact O-N 3.26Å
381K26.3Very low24.6Very low167 Ų167148.8 Ų148.873%0.72680%0.795SS**  trans-81.597.4162.7-103.3179.5178.2177.60107.8V379 L383V379-K381 HydrophobicContact CG1-CB 4.4Å; V379-K381 HydrophobicContact CG1-CD 4.46Å; V379-K381 HydrophobicContact CG1-CG 4.01Å; V379-K381 PolarHBondContact O-N 3.06Å; K381-L383 PolarHBondContact O-N 3.01Å
382K21.6Very low25.3Very low199 Ų199148.2 Ų148.287%0.86580%0.8SS**  trans-56.588.5157.7-80.5178.7175.6174.60108.7Q380Q380-K382 PolarHBondContact O-N 3.26Å
383L25.5Very low25.8Very low144 Ų144146.7 Ų146.775%0.75480%0.796SS**  trans-109.687.6158.7-78.7166.2000106.5K381 V385K381-L383 PolarHBondContact O-N 3.01Å; L383-V385 PolarHBondContact O-N 3.13Å
384S22Very low26Very low115 Ų115146.2 Ų146.280%0.80479%0.788SS**  trans-56.3110.5172.138.20000110.9
385V24.4Very low26.8Very low129 Ų129145.1 Ų145.178%0.78279%0.788SS**  trans-84.7129.3159.8-177.60000107.3L383 K387L383-V385 PolarHBondContact O-N 3.13Å; V385-K387 PolarHBondContact O-N 3.1Å
386P24.4Very low27.5Very low119 Ų119147.3 Ų147.377%0.77378%0.783SS**  trans-61.4132.7-179.6-1930.8000111.2E388P386-E388 PolarHBondContact O-N 3.11Å; P386-E388 VanDerWaalsContact O-N 3.1Å
387K23.5Very low28.1Very low208 Ų208144.5 Ų144.590%0.90477%0.773SS**  trans-66.1101.7171.5-73.5175.6174.5178.30109.4V385V385-K387 PolarHBondContact O-N 3.1Å
388E26.6Very low29.2Very low184 Ų184142.4 Ų142.486%0.8676%0.76SS**  trans-110.6109149.6-79.4-171172.600109.1P386P386-E388 PolarHBondContact O-N 3.11Å; P386-E388 VanDerWaalsContact O-N 3.1Å
389S25.2Very low30.3Very low112 Ų112136.5 Ų136.578%0.78374%0.742SS**  trans-71112.8172.845.90000110.7
390I29.1Very low31.5Very low164 Ų164137.6 Ų137.684%0.84174%0.737SS**  trans-133.7112.6151.6-57.6-178.4000108.9
391S28.6Very low32.9Very low96 Ų96136.6 Ų136.667%0.67173%0.731SS**  trans-69.5131.4179.546.10000113.9I393S391-I393 PolarHBondContact O-N 3.34Å; S391-I393 VanDerWaalsContact O-N 3.16Å
392A38.7Very low34.2Very low104 Ų104131.6 Ų131.686%0.8672%0.716SS**SBend59.525.6126.900000122.5
393I35.4Very low35.5Very low152 Ų152126.3 Ų126.378%0.77970%0.697SS**  trans-119-8.2171.6-58.4-179000114.8S391 N395S391-I393 PolarHBondContact O-N 3.34Å; S391-I393 VanDerWaalsContact O-N 3.16Å; I393-N395 PolarHBondContact O-N 2.43Å
394L30.9Very low36.7Very low133 Ų133125.8 Ų125.870%0.69669%0.69SS**THydrogen-bonded Turntrans-84.8-2.8-173.7-134.583.8000116.5T398L394-T398 PolarHBondContact O-OG1 3.37Å
395N39.5Very low38Very low153 Ų153123.9 Ų123.982%0.81867%0.674SS**Hα-helixtrans-83.3-13.7-172.7-101.81.7000115.6I393I393-N395 PolarHBondContact O-N 2.43Å
396E38.5Very low38.9Very low137 Ų137122.1 Ų122.164%0.6466%0.66SS**Hα-helixtrans-97-31.4-179.1-139.4-171.815400113.6K400E396-K400 PolarHBondContact O-N 2.9Å; E396-K400 IonicContact OE1-NZ 3.11Å
397Q40.8Very low40.1Very low147 Ų147122 Ų12269%0.68765%0.649SS**Hα-helixtrans-73.5-33.3175.6-86.2-166.3-1500112.8K400 K401Q397-K400 PolarHBondContact O-N 3.27Å; Q397-K401 PolarHBondContact O-N 3.49Å
398T45.8Very low41.2Very low74 Ų74116.1 Ų116.145%0.45464%0.639SS.*Hα-helixtrans-67.6-42.9179.9-43.80000110.5L394 K400 K401 S402L394-T398 PolarHBondContact O-OG1 3.37Å; T398-K400 PolarHBondContact O-N 3.45Å; T398-K401 PolarHBondContact O-N 3.14Å; T398-S402 PolarHBondContact O-N 3.37Å; T398-S402 PolarHBondContact O-OG 3.43Å
399A45.9Very low42.1Very low51 Ų51114.6 Ų114.642%0.42163%0.63SS.*Hα-helixtrans-64-40.3175.400000113S402 I403A399-S402 PolarHBondContact O-N 3.08Å; A399-I403 WeakPolarHBondContact O-CG1 3.46Å; A399-I403 PolarHBondContact O-N 3.35Å; A399-I403 VanDerWaalsContact O-N 3.1Å
400K48.6Very low42.3Very low130 Ų130112.4 Ų112.457%0.56563%0.625SS**Hα-helixtrans-65.7-37.7176.1-75.2-179.7-176.8170.60112.5E396 Q397 T398 Q404E396-K400 PolarHBondContact O-N 2.9Å; E396-K400 IonicContact OE1-NZ 3.11Å; Q397-K400 PolarHBondContact O-N 3.27Å; T398-K400 PolarHBondContact O-N 3.45Å; K400-Q404 PolarHBondContact O-N 2.92Å
401K50.3Low42.8Very low151 Ų151110.9 Ų110.966%0.65761%0.613SS**Hα-helixtrans-64.8-43.5173.6-92.3-177.1174.3179.20111.8Q397 T398 I403 Q404 T405Q397-K401 PolarHBondContact O-N 3.49Å; T398-K401 PolarHBondContact O-N 3.14Å; K401-I403 VanDerWaalsContact C-N 3.35Å; K401-I403 PolarHBondContact O-N 2.9Å; K401-Q404 PolarHBondContact O-N 3.09Å; K401-T405 PolarHBondContact O-N 3.04Å; K401-T405 PolarHBondContact O-OG1 3.36Å
402S52.4Low43.1Very low61 Ų61114.8 Ų114.843%0.42762%0.62SS.*Hα-helixtrans-60.5-42.3177.7-51.10000112.5T398 A399 T405 L406T398-S402 PolarHBondContact O-N 3.37Å; T398-S402 PolarHBondContact O-OG 3.43Å; A399-S402 PolarHBondContact O-N 3.08Å; S402-T405 PolarHBondContact O-N 3.04Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.48Å
403I50.4Low43.1Very low88 Ų88113.1 Ų113.145%0.45161%0.607SS.*Hα-helixtrans-67.6-41.3177.8-65.2168.2000111A399 K401 L406 Q407A399-I403 WeakPolarHBondContact O-CG1 3.46Å; A399-I403 PolarHBondContact O-N 3.35Å; A399-I403 VanDerWaalsContact O-N 3.1Å; K401-I403 VanDerWaalsContact C-N 3.35Å; K401-I403 PolarHBondContact O-N 2.9Å; I403-L406 PolarHBondContact O-N 3.41Å; I403-Q407 WeakPolarHBondContact O-CG 3.47Å; I403-Q407 PolarHBondContact O-N 3.18Å
404Q49.3Very low43Very low133 Ų133110.9 Ų110.962%0.62160%0.6SS**Hα-helixtrans-64.5-38.2174-85.6-176.2-18.900112.7K400 K401 Q407 A408K400-Q404 PolarHBondContact O-N 2.92Å; K401-Q404 PolarHBondContact O-N 3.09Å; Q404-Q407 PolarHBondContact O-N 2.93Å; Q404-A408 WeakPolarHBondContact O-CB 3.35Å; Q404-A408 PolarHBondContact O-N 2.94Å
405T50.8Low43.2Very low76 Ų76109.9 Ų109.947%0.46660%0.604SS.*Hα-helixtrans-64.5-42.8175.8-54.70000111K401 S402 A408 F409K401-T405 PolarHBondContact O-N 3.04Å; K401-T405 PolarHBondContact O-OG1 3.36Å; S402-T405 PolarHBondContact O-N 3.04Å; T405-A408 WeakPolarHBondContact O-CB 3.4Å; T405-A408 PolarHBondContact O-N 3.36Å; T405-F409 HydrophobicContact CG2-CD2 4.09Å; T405-F409 HydrophobicContact CG2-CE2 3.77Å; T405-F409 WeakPolarHBondContact O-CD2 3.36Å; T405-F409 PolarHBondContact O-N 3.11Å
406L41.4Very low42.7Very low92 Ų92107.1 Ų107.148%0.48260%0.597SS.*Hα-helixtrans-66.5-38.1177.2-71.4167.6000112.5S402 I403 A408 F409 G410 F411S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.48Å; I403-L406 PolarHBondContact O-N 3.41Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 3.37Å; L406-F409 PolarHBondContact O-N 2.93Å; L406-G410 PolarHBondContact O-N 3.31Å; L406-F411 HydrophobicContact CB-CB 4.45Å; L406-F411 HydrophobicContact CD2-CD2 4.22Å; L406-F411 WeakPolarHBondContact O-CB 3.43Å; L406-F411 PolarHBondContact O-N 2.82Å; L406-F411 VanDerWaalsContact O-N 3.15Å
407Q49.5Very low42.3Very low115 Ų115109.5 Ų109.554%0.53761%0.608SS.*Hα-helixtrans-64.9-34.9172.6-74.7177.4-20.100112.5I403 Q404 F409 G410I403-Q407 WeakPolarHBondContact O-CG 3.47Å; I403-Q407 PolarHBondContact O-N 3.18Å; Q404-Q407 PolarHBondContact O-N 2.93Å; Q407-F409 PolarHBondContact O-N 2.93Å; Q407-G410 PolarHBondContact O-N 2.77Å; Q407-G410 VanDerWaalsContact O-N 3.09Å
408A47.7Very low41.6Very low86 Ų86108.1 Ų108.171%0.71161%0.61SS**Hα-helixtrans-66.4-23.6174.600000113.1Q404 T405 L406 G410Q404-A408 WeakPolarHBondContact O-CB 3.35Å; Q404-A408 PolarHBondContact O-N 2.94Å; T405-A408 WeakPolarHBondContact O-CB 3.4Å; T405-A408 PolarHBondContact O-N 3.36Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 3.37Å; A408-G410 VanDerWaalsContact C-N 3.34Å
409F44.9Very low40.8Very low152 Ų152111.2 Ų111.267%0.66762%0.622SS**THydrogen-bonded Turntrans-9110.2173.2-74-70.6000113.7T405 L406 Q407 F411T405-F409 HydrophobicContact CG2-CD2 4.09Å; T405-F409 HydrophobicContact CG2-CE2 3.77Å; T405-F409 WeakPolarHBondContact O-CD2 3.36Å; T405-F409 PolarHBondContact O-N 3.11Å; L406-F409 PolarHBondContact O-N 2.93Å; Q407-F409 PolarHBondContact O-N 2.93Å; F409-F411 VanDerWaalsContact C-N 3.31Å; F409-F411 HydrophobicContact CB-CD2 3.71Å; F409-F411 HydrophobicContact CB-CE2 3.77Å; F409-F411 PolarHBondContact O-N 3.38Å
410G29.2Very low39.9Very low66 Ų66115 Ų11568%0.6864%0.642SS**THydrogen-bonded Turntrans77.413.3176.600000114.6L406 Q407 A408 E412L406-G410 PolarHBondContact O-N 3.31Å; Q407-G410 PolarHBondContact O-N 2.77Å; Q407-G410 VanDerWaalsContact O-N 3.09Å; A408-G410 VanDerWaalsContact C-N 3.34Å; G410-E412 PolarHBondContact O-N 2.83Å
411F40.5Very low38.7Very low132 Ų132115.2 Ų115.258%0.57965%0.65SS**  trans-80.2109.2171.2-64.8-82.4000109.3L406 F409 A413L406-F411 HydrophobicContact CB-CB 4.45Å; L406-F411 HydrophobicContact CD2-CD2 4.22Å; L406-F411 WeakPolarHBondContact O-CB 3.43Å; L406-F411 PolarHBondContact O-N 2.82Å; L406-F411 VanDerWaalsContact O-N 3.15Å; F409-F411 VanDerWaalsContact C-N 3.31Å; F409-F411 HydrophobicContact CB-CD2 3.71Å; F409-F411 HydrophobicContact CB-CE2 3.77Å; F409-F411 PolarHBondContact O-N 3.38Å; F411-A413 PolarHBondContact O-N 3.47Å; F411-A413 VanDerWaalsContact O-N 3.12Å
412E35.5Very low37.4Very low177 Ų177115.1 Ų115.183%0.82765%0.652SS**  trans-64.9109.1165.3-83-172.6159.400109.1G410 T414G410-E412 PolarHBondContact O-N 2.83Å; E412-T414 PolarHBondContact O-N 3.22Å
413A37.7Very low36.4Very low70 Ų70124.2 Ų124.258%0.57968%0.676SS**  trans-7083.716800000108.8F411 S415F411-A413 PolarHBondContact O-N 3.47Å; F411-A413 VanDerWaalsContact O-N 3.12Å; A413-S415 PolarHBondContact O-N 3.48Å; A413-S415 VanDerWaalsContact O-N 3.1Å
414T32.5Very low35.3Very low104 Ų104128.6 Ų128.664%0.63869%0.692SS**  trans-71.5102.9167.548.50000107.9E412 S416E412-T414 PolarHBondContact O-N 3.22Å; T414-S416 PolarHBondContact O-N 2.93Å; T414-S416 PolarHBondContact O-OG 2.79Å
415S35.3Very low34.3Very low112 Ų112133.6 Ų133.678%0.78371%0.706SS**  trans-69.979.9171.2730000109A413 H417A413-S415 PolarHBondContact O-N 3.48Å; A413-S415 VanDerWaalsContact O-N 3.1Å; S415-H417 PolarHBondContact O-N 2.73Å
416S30.8Very low33.7Very low96 Ų96135.6 Ų135.667%0.67172%0.72SS**  trans-90.854.1177.245.10000110.7T414 T418T414-S416 PolarHBondContact O-N 2.93Å; T414-S416 PolarHBondContact O-OG 2.79Å; S416-T418 PolarHBondContact O-N 2.85Å
417H29.3Very low33.1Very low187 Ų187139.9 Ų139.987%0.86674%0.742SS**  trans-87.458.7151-80.9-46.2000108.9S415S415-H417 PolarHBondContact O-N 2.73Å
418T27Very low33Very low118 Ų118143.4 Ų143.472%0.72478%0.78SS**  trans-112.289162.1-32.60000106.1S416 P420S416-T418 PolarHBondContact O-N 2.85Å; T418-P420 WeakPolarHBondContact O-CD 3.41Å
419I27.3Very low32.2Very low139 Ų139146.3 Ų146.371%0.71378%0.783SS**  trans-50.5122169-62166.4000106.8N421I419-N421 VanDerWaalsContact C-N 3.28Å; I419-N421 PolarHBondContact O-N 3.09Å
420P27.1Very low31.6Very low129 Ų129146 Ų14684%0.83879%0.789SS**  trans-6598.4168.7-11.524.8000107.6T418T418-P420 WeakPolarHBondContact O-CD 3.41Å
421N23.6Very low31.7Very low136 Ų136150.4 Ų150.473%0.72780%0.795SS**  trans-72.6124.4171.9-139.9-2.2000107.6I419I419-N421 VanDerWaalsContact C-N 3.28Å; I419-N421 PolarHBondContact O-N 3.09Å
422E24.1Very low31.2Very low149 Ų149151.5 Ų151.570%0.69681%0.808SS**  trans48.4119.3155.8-64-172135.900119.8
423R30.1Very low30.9Very low251 Ų251149.9 Ų149.995%0.94781%0.807SS**  -151.3104.3118.6-108.8172.3-168.1-176.83.9111
424K26.9Very low30.5Very low180 Ų180155.3 Ų155.378%0.78382%0.822SS**  trans-65.6151.1158.3-70.2172.9174.1168.90110.1
425R28.8Very low30.3Very low239 Ų239158.9 Ų158.990%0.90284%0.835SS**  trans122.8150.3143.3-72.8-170.4179.7179.51.7115.6
426P39.5Very low29.9Very low118 Ų118162.5 Ų162.577%0.76684%0.839SS**  -132.4174.1-65.629.7-7.7000111.6S428P426-S428 PolarHBondContact O-N 2.87Å
427L27.3Very low29.9Very low181 Ų181168.1 Ų168.195%0.94885%0.853SS**  trans-58.1125.3169.2-68.6154.5000111.1
428S47.3Very low29.9Very low190 Ų190166.4 Ų166.4100%1.32985%0.852SS**  trans-125.80148.375.90000108.6P426P426-S428 PolarHBondContact O-N 2.87Å

Retrieved 428 of 428 residues in 1882.8 ms (Link to these results)

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