A0A087XGY7_POEFO Loading...

Histone-binding protein RBBP7

AlphaFold DB , UniProt , Accession A0A087XGY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 425 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
1M58.5Low68.9Low187 Ų187112.8 Ų112.892%0.92159%0.588SS**  0-65.10-84.8166.648.100108.7E3 K4 E5M1-E3 PolarHBondContact O-N 2.76Å; M1-K4 WeakPolarHBondContact O-CA 3.03Å; M1-K4 WeakPolarHBondContact O-CB 3.03Å; M1-K4 PolarHBondContact O-N 2.69Å; M1-E5 PolarHBondContact O-N 3.44Å
2A60.1Low70.5Confident66 Ų66110.7 Ų110.755%0.54557%0.573SS.*Hα-helixtrans-52-46.1174.200000115.1K4 E5 V6A2-K4 PolarHBondContact O-N 3.13Å; A2-E5 PolarHBondContact O-N 3.16Å; A2-V6 VanDerWaalsContact O-CG2 3.22Å; A2-V6 WeakPolarHBondContact O-CG2 3.41Å; A2-V6 PolarHBondContact O-N 2.66Å
3E55.4Low71.9Confident178 Ų178111.6 Ų111.683%0.83257%0.573SS**Hα-helixtrans-67.5-22.2176.9-70.7-179.8167.500114.1M1 Y7M1-E3 PolarHBondContact O-N 2.76Å; E3-Y7 PolarHBondContact O-N 3.5Å
4K61.6Low73.2Confident142 Ų142117 Ų11762%0.61758%0.582SS**Hα-helixtrans-82.8-42.8177.2-171.1-171.1171.5-163.60110.4M1 A2 Y7 D8M1-K4 WeakPolarHBondContact O-CA 3.03Å; M1-K4 WeakPolarHBondContact O-CB 3.03Å; M1-K4 PolarHBondContact O-N 2.69Å; A2-K4 PolarHBondContact O-N 3.13Å; K4-Y7 PolarHBondContact O-N 3.22Å; K4-Y7 VanDerWaalsContact O-N 3.16Å; K4-D8 PolarHBondContact O-N 3.34Å
5E62.5Low74.5Confident110 Ų110113.6 Ų113.651%0.51457%0.57SS.*Hα-helixtrans-57.1-48.4172.5-74.1159.5-172.600110.6M1 A2 Y7 D8 D9M1-E5 PolarHBondContact O-N 3.44Å; A2-E5 PolarHBondContact O-N 3.16Å; E5-Y7 PolarHBondContact O-N 3.42Å; E5-D8 PolarHBondContact O-N 3.34Å; E5-D8 VanDerWaalsContact O-N 3.13Å; E5-D9 VanDerWaalsContact O-CG 3.24Å; E5-D9 PolarHBondContact O-N 3Å
6V65Low75.6Confident99 Ų99107.9 Ų107.960%0.654%0.542SS*.Hα-helixtrans-60.7-31.8176.8173.50000113.1A2 A10A2-V6 VanDerWaalsContact O-CG2 3.22Å; A2-V6 WeakPolarHBondContact O-CG2 3.41Å; A2-V6 PolarHBondContact O-N 2.66Å; V6-A10 WeakPolarHBondContact O-CB 3.2Å; V6-A10 PolarHBondContact O-N 3.44Å
7Y68.3Low76.5Confident158 Ų158105.8 Ų105.862%0.6253%0.533SS*.Hα-helixtrans-74.6-41.4176.4179-91000111.8E3 K4 E5 A10 V11E3-Y7 PolarHBondContact O-N 3.5Å; K4-Y7 PolarHBondContact O-N 3.22Å; K4-Y7 VanDerWaalsContact O-N 3.16Å; E5-Y7 PolarHBondContact O-N 3.42Å; Y7-A10 PolarHBondContact O-N 3.16Å; Y7-V11 HydrophobicContact CD1-CG2 4.3Å; Y7-V11 HydrophobicContact CE1-CG2 3.86Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.03Å; Y7-V11 VanDerWaalsContact O-N 3.14Å
8D76.8Confident77.4Confident78 Ų78105.1 Ų105.142%0.41753%0.527SS..Hα-helixtrans-65.8-42179-68.4-21.6000110.2K4 E5 A10 V11 E12K4-D8 PolarHBondContact O-N 3.34Å; E5-D8 PolarHBondContact O-N 3.34Å; E5-D8 VanDerWaalsContact O-N 3.13Å; D8-A10 PolarHBondContact O-N 2.91Å; D8-V11 PolarHBondContact O-N 3.27Å; D8-E12 PolarHBondContact O-N 2.67Å
9D79.3Confident78.3Confident100 Ų100102.9 Ų102.954%0.53552%0.515SS..Hα-helixtrans-59.9-44.1174.8-65.4-14.9000112.2E5 V11 E12 E13E5-D9 VanDerWaalsContact O-CG 3.24Å; E5-D9 PolarHBondContact O-N 3Å; D9-V11 VanDerWaalsContact C-N 3.33Å; D9-V11 PolarHBondContact O-N 3.47Å; D9-E12 PolarHBondContact O-N 3.29Å; D9-E13 WeakPolarHBondContact O-CB 3.5Å; D9-E13 PolarHBondContact O-N 3.15Å
10A83.1Confident78.9Confident55 Ų55100.5 Ų100.546%0.45550%0.5SS..Hα-helixtrans-68.4-31.5-179.700000112.9V6 Y7 D8 R14V6-A10 WeakPolarHBondContact O-CB 3.2Å; V6-A10 PolarHBondContact O-N 3.44Å; Y7-A10 PolarHBondContact O-N 3.16Å; D8-A10 PolarHBondContact O-N 2.91Å; A10-R14 PolarHBondContact O-N 2.81Å
11V87.7Confident79.5Confident68 Ų68100.5 Ų100.541%0.41250%0.497SS..Hα-helixtrans-70.3-44.8173.8171.80000109.9Y7 D8 D9 R14 V15Y7-V11 HydrophobicContact CD1-CG2 4.3Å; Y7-V11 HydrophobicContact CE1-CG2 3.86Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.03Å; Y7-V11 VanDerWaalsContact O-N 3.14Å; D8-V11 PolarHBondContact O-N 3.27Å; D9-V11 VanDerWaalsContact C-N 3.33Å; D9-V11 PolarHBondContact O-N 3.47Å; V11-R14 WeakPolarHBondContact O-CB 3.29Å; V11-R14 PolarHBondContact O-N 3.13Å; V11-V15 WeakPolarHBondContact O-CG2 3.16Å; V11-V15 PolarHBondContact O-N 2.93Å; V11-V15 VanDerWaalsContact O-N 3.12Å
12E87.5Confident81.1Confident87 Ų8796.1 Ų96.141%0.40748%0.477SS..Hα-helixtrans-60.8-46.9177.1-173.5171.9-173.800111.5D8 D9 R14 V15 I16 R339D8-E12 PolarHBondContact O-N 2.67Å; D9-E12 PolarHBondContact O-N 3.29Å; E12-R14 PolarHBondContact O-N 3.26Å; E12-V15 WeakPolarHBondContact O-CA 3.24Å; E12-V15 WeakPolarHBondContact O-CB 3.14Å; E12-V15 PolarHBondContact O-N 3.42Å; E12-I16 HydrophobicContact CG-CD1 3.87Å; E12-I16 HydrophobicContact CG-CG1 4.3Å; E12-I16 VanDerWaalsContact O-CG1 3.32Å; E12-I16 WeakPolarHBondContact O-CG1 3.22Å; E12-I16 PolarHBondContact O-N 3.11Å; E12-R339 IonicContact OE1-CZ 2.74Å; E12-R339 IonicContact OE1-NH1 3.45Å; E12-R339 PolarHBondContact OE1-NH1 2.88Å; E12-R339 IonicContact OE1-NH2 2.83Å
13E89.1Confident82.8Confident123 Ų12393.9 Ų93.958%0.57545%0.454SS*.Hα-helixtrans-57-37.5176.8-167.4-170.2168.200111.8D9 N17D9-E13 WeakPolarHBondContact O-CB 3.5Å; D9-E13 PolarHBondContact O-N 3.15Å; E13-N17 WeakPolarHBondContact O-CB 3.36Å; E13-N17 PolarHBondContact O-N 3.22Å; E13-N17 PolarHBondContact O-ND2 3.03Å
14R90.4Very high84.3Confident187 Ų18790.4 Ų90.471%0.70644%0.436SS*.Hα-helixtrans-66.7-40.9175.6-161.3-174.492.1-177.55.2112A10 V11 E12 E18A10-R14 PolarHBondContact O-N 2.81Å; V11-R14 WeakPolarHBondContact O-CB 3.29Å; V11-R14 PolarHBondContact O-N 3.13Å; E12-R14 PolarHBondContact O-N 3.26Å; R14-E18 WeakPolarHBondContact O-CG 3.44Å; R14-E18 PolarHBondContact O-N 3.22Å
15V92.6Very high85.6Confident66 Ų6692.8 Ų92.840%0.444%0.441SS..Hα-helixtrans-64.5-48.1177.1173.70000109.9V11 E12 N17 E18 E19V11-V15 WeakPolarHBondContact O-CG2 3.16Å; V11-V15 PolarHBondContact O-N 2.93Å; V11-V15 VanDerWaalsContact O-N 3.12Å; E12-V15 WeakPolarHBondContact O-CA 3.24Å; E12-V15 WeakPolarHBondContact O-CB 3.14Å; E12-V15 PolarHBondContact O-N 3.42Å; V15-N17 VanDerWaalsContact C-N 3.32Å; V15-N17 PolarHBondContact O-N 2.91Å; V15-E18 PolarHBondContact O-N 2.97Å; V15-E18 VanDerWaalsContact O-N 3.15Å; V15-E19 HydrophobicContact CG1-CG 4.21Å; V15-E19 WeakPolarHBondContact O-CG 2.71Å; V15-E19 PolarHBondContact O-N 2.88Å
16I92Very high87Confident23 Ų2390.9 Ų90.912%0.11844%0.435CS..Hα-helixtrans-54-49.3177.6-68.4170.8000110.9E12 E18 E19 Y20 T373E12-I16 HydrophobicContact CG-CD1 3.87Å; E12-I16 HydrophobicContact CG-CG1 4.3Å; E12-I16 VanDerWaalsContact O-CG1 3.32Å; E12-I16 WeakPolarHBondContact O-CG1 3.22Å; E12-I16 PolarHBondContact O-N 3.11Å; I16-E18 VanDerWaalsContact C-N 3.34Å; I16-E18 PolarHBondContact O-N 2.82Å; I16-E19 PolarHBondContact O-N 3.19Å; I16-Y20 WeakPolarHBondContact O-CB 3.37Å; I16-Y20 PolarHBondContact O-N 3.04Å; I16-T373 HydrophobicContact CG2-CG2 3.67Å
17N90Very high88.1Confident71 Ų7186.7 Ų86.738%0.3841%0.409SS..Hα-helixtrans-64.2-35.9-178.9-81-51.3000113.3E13 V15 K21E13-N17 WeakPolarHBondContact O-CB 3.36Å; E13-N17 PolarHBondContact O-N 3.22Å; E13-N17 PolarHBondContact O-ND2 3.03Å; V15-N17 VanDerWaalsContact C-N 3.32Å; V15-N17 PolarHBondContact O-N 2.91Å; N17-K21 VanDerWaalsContact O-CG 3.27Å; N17-K21 WeakPolarHBondContact O-CG 3.27Å; N17-K21 PolarHBondContact O-N 2.81Å
18E94.3Very high88.9Confident94 Ų9482 Ų8244%0.43940%0.398SS..Hα-helixtrans-74.1-42.5176.3-70.2-59.2125.500111.8R14 V15 I16 Y20 K21 I22R14-E18 WeakPolarHBondContact O-CG 3.44Å; R14-E18 PolarHBondContact O-N 3.22Å; V15-E18 PolarHBondContact O-N 2.97Å; V15-E18 VanDerWaalsContact O-N 3.15Å; I16-E18 VanDerWaalsContact C-N 3.34Å; I16-E18 PolarHBondContact O-N 2.82Å; E18-Y20 VanDerWaalsContact C-N 3.33Å; E18-Y20 PolarHBondContact O-N 3.3Å; E18-K21 PolarHBondContact O-N 3.24Å; E18-K21 IonicContact OE1-NZ 3.87Å; E18-K21 PolarHBondContact OE1-NZ 2.88Å; E18-I22 WeakPolarHBondContact O-CG1 3.34Å; E18-I22 PolarHBondContact O-N 3.14Å
19E93.3Very high89.5Confident63 Ų6385.3 Ų85.329%0.29441%0.409SS..Hα-helixtrans-58.6-44.2174.1-73.5-173.817400111.5V15 I16 K21 I22 W23 R340V15-E19 HydrophobicContact CG1-CG 4.21Å; V15-E19 WeakPolarHBondContact O-CG 2.71Å; V15-E19 PolarHBondContact O-N 2.88Å; I16-E19 PolarHBondContact O-N 3.19Å; E19-K21 PolarHBondContact O-N 2.83Å; E19-I22 PolarHBondContact O-N 2.77Å; E19-W23 WeakPolarHBondContact O-CB 3.5Å; E19-W23 PolarHBondContact O-N 2.82Å; E19-R340 IonicContact OE2-CZ 3.85Å; E19-R340 IonicContact OE2-NH2 3.82Å; E19-R340 PolarHBondContact OE2-NH2 3.4Å
20Y90.9Very high90.1Very high54 Ų5483.2 Ų83.221%0.21240%0.397CS..Hα-helixtrans-63.3-40.2178.2-179.3-106.4000112.5I16 E18 I22 W23 K24 G371 T373I16-Y20 WeakPolarHBondContact O-CB 3.37Å; I16-Y20 PolarHBondContact O-N 3.04Å; E18-Y20 VanDerWaalsContact C-N 3.33Å; E18-Y20 PolarHBondContact O-N 3.3Å; Y20-I22 VanDerWaalsContact C-N 3.33Å; Y20-I22 PolarHBondContact O-N 3.03Å; Y20-W23 AromaticContact CD2-CE3 3.71Å; Y20-W23 HydrophobicContact CD2-CE3 3.71Å; Y20-W23 HydrophobicContact CD2-CZ3 4.04Å; Y20-W23 AromaticContact CE2-CE3 3.52Å; Y20-W23 HydrophobicContact CE2-CE3 3.52Å; Y20-W23 HydrophobicContact CE2-CH2 4.41Å; Y20-W23 AromaticContact CE2-CZ3 3.35Å; Y20-W23 HydrophobicContact CE2-CZ3 3.35Å; Y20-W23 AromaticContact CZ-CZ3 3.95Å; Y20-W23 PolarHBondContact O-N 2.93Å; Y20-K24 VanDerWaalsContact O-CB 3.32Å; Y20-K24 WeakPolarHBondContact O-CB 3.3Å; Y20-K24 PolarHBondContact O-N 3.4Å; Y20-G371 VanDerWaalsContact CE2-O 3.3Å; Y20-G371 WeakPolarHBondContact CE2-O 3.19Å; Y20-T373 HydrophobicContact CD2-CG2 3.84Å; Y20-T373 HydrophobicContact CG-CG2 3.83Å
21K90.4Very high90.4Very high102 Ų10280.7 Ų80.744%0.44338%0.376SS..Hα-helixtrans-63.9-39174.8-73.2170.3-163.6166.80112.1N17 E18 E19 R25N17-K21 VanDerWaalsContact O-CG 3.27Å; N17-K21 WeakPolarHBondContact O-CG 3.27Å; N17-K21 PolarHBondContact O-N 2.81Å; E18-K21 PolarHBondContact O-N 3.24Å; E18-K21 IonicContact OE1-NZ 3.87Å; E18-K21 PolarHBondContact OE1-NZ 2.88Å; E19-K21 PolarHBondContact O-N 2.83Å; K21-R25 WeakPolarHBondContact O-CG 3.4Å; K21-R25 PolarHBondContact O-N 2.96Å
22I93.4Very high90.5Very high95 Ų9581.1 Ų81.149%0.48738%0.376SS..Hα-helixtrans-66.7-49.4176.6-66.6165.8000109.5E18 E19 Y20 K24 R25 N26E18-I22 WeakPolarHBondContact O-CG1 3.34Å; E18-I22 PolarHBondContact O-N 3.14Å; E19-I22 PolarHBondContact O-N 2.77Å; Y20-I22 VanDerWaalsContact C-N 3.33Å; Y20-I22 PolarHBondContact O-N 3.03Å; I22-K24 VanDerWaalsContact C-N 3.32Å; I22-K24 PolarHBondContact O-N 3.42Å; I22-R25 WeakPolarHBondContact O-CB 3.48Å; I22-R25 PolarHBondContact O-N 3.45Å; I22-R25 VanDerWaalsContact O-N 3.08Å; I22-N26 PolarHBondContact O-N 2.96Å
23W94.3Very high90.4Very high19 Ų1977.5 Ų77.57%0.07236%0.359CS..Hα-helixtrans-52.9-50175.2169.182.5000111.2E19 Y20 R25 N26 T27 Y31 V34 G371E19-W23 WeakPolarHBondContact O-CB 3.5Å; E19-W23 PolarHBondContact O-N 2.82Å; Y20-W23 AromaticContact CD2-CE3 3.71Å; Y20-W23 HydrophobicContact CD2-CE3 3.71Å; Y20-W23 HydrophobicContact CD2-CZ3 4.04Å; Y20-W23 AromaticContact CE2-CE3 3.52Å; Y20-W23 HydrophobicContact CE2-CE3 3.52Å; Y20-W23 HydrophobicContact CE2-CH2 4.41Å; Y20-W23 AromaticContact CE2-CZ3 3.35Å; Y20-W23 HydrophobicContact CE2-CZ3 3.35Å; Y20-W23 AromaticContact CZ-CZ3 3.95Å; Y20-W23 PolarHBondContact O-N 2.93Å; W23-R25 PolarHBondContact O-N 3.03Å; W23-N26 CarbonylContact O-C 3.53Å; W23-N26 WeakPolarHBondContact O-CA 3.17Å; W23-N26 PolarHBondContact O-N 2.97Å; W23-T27 HydrophobicContact CD2-CG2 3.92Å; W23-T27 HydrophobicContact CE3-CG2 4.15Å; W23-T27 HydrophobicContact CH2-CG2 3.86Å; W23-T27 HydrophobicContact CZ2-CG2 3.59Å; W23-T27 HydrophobicContact CZ3-CG2 4.12Å; W23-T27 WeakPolarHBondContact O-CG2 2.92Å; W23-T27 PolarHBondContact O-N 2.92Å; W23-Y31 HydrophobicContact CZ2-CE2 4.27Å; W23-Y31 AromaticContact NE1-CE2 3.43Å; W23-Y31 AromaticContact NE1-CZ 3.5Å; W23-Y31 PolarHBondContact NE1-OH 2.78Å; W23-V34 HydrophobicContact CH2-CG1 4.04Å; W23-V34 HydrophobicContact CZ2-CG1 4.26Å; W23-G371 VanDerWaalsContact CE2-CA 3.42Å; W23-G371 VanDerWaalsContact CZ2-CA 3.4Å
24K87.8Confident90.4Very high104 Ų10471.9 Ų71.945%0.45233%0.333SS..Hα-helixtrans-60.4-28.8-179.8-170.8170.5-176.3174.60113.6Y20 I22 T27Y20-K24 VanDerWaalsContact O-CB 3.32Å; Y20-K24 WeakPolarHBondContact O-CB 3.3Å; Y20-K24 PolarHBondContact O-N 3.4Å; I22-K24 VanDerWaalsContact C-N 3.32Å; I22-K24 PolarHBondContact O-N 3.42Å; K24-T27 PolarHBondContact O-OG1 3Å; K24-T27 VanDerWaalsContact O-OG1 3.05Å
25R89.9Confident90.3Very high193 Ų19363.5 Ų63.573%0.72830%0.302SS*.Hα-helixtrans-76.1-27173.8-72.1174.3-178.7-176.82.2112.6K21 I22 W23 P28K21-R25 WeakPolarHBondContact O-CG 3.4Å; K21-R25 PolarHBondContact O-N 2.96Å; I22-R25 WeakPolarHBondContact O-CB 3.48Å; I22-R25 PolarHBondContact O-N 3.45Å; I22-R25 VanDerWaalsContact O-N 3.08Å; W23-R25 PolarHBondContact O-N 3.03Å; R25-P28 WeakPolarHBondContact O-CD 3.22Å
26N90.6Very high90.2Very high70 Ų7061.4 Ų61.437%0.37429%0.29SS..Hα-helixtrans-94-11.5-177.6-66.5-15.6000113.1I22 W23 P28 F29 L30I22-N26 PolarHBondContact O-N 2.96Å; W23-N26 CarbonylContact O-C 3.53Å; W23-N26 WeakPolarHBondContact O-CA 3.17Å; W23-N26 PolarHBondContact O-N 2.97Å; N26-P28 VanDerWaalsContact C-N 3.25Å; N26-P28 WeakPolarHBondContact O-CD 3.48Å; N26-P28 VanDerWaalsContact O-N 3.11Å; N26-F29 PolarHBondContact O-N 3.12Å; N26-L30 HydrophobicContact CB-CD1 3.81Å; N26-L30 HydrophobicContact CB-CG 4.41Å; N26-L30 WeakPolarHBondContact O-CG 3.38Å; N26-L30 PolarHBondContact O-N 3.31Å
27T88.4Confident90.2Very high11 Ų1163.2 Ų63.27%0.06730%0.298CS..Hα-helixtrans-49.5-36178.253.50000114.9W23 K24 F29 L30 Y31W23-T27 HydrophobicContact CD2-CG2 3.92Å; W23-T27 HydrophobicContact CE3-CG2 4.15Å; W23-T27 HydrophobicContact CH2-CG2 3.86Å; W23-T27 HydrophobicContact CZ2-CG2 3.59Å; W23-T27 HydrophobicContact CZ3-CG2 4.12Å; W23-T27 WeakPolarHBondContact O-CG2 2.92Å; W23-T27 PolarHBondContact O-N 2.92Å; K24-T27 PolarHBondContact O-OG1 3Å; K24-T27 VanDerWaalsContact O-OG1 3.05Å; T27-F29 PolarHBondContact O-N 3.06Å; T27-F29 VanDerWaalsContact O-N 3.12Å; T27-L30 PolarHBondContact O-N 3.03Å; T27-Y31 HydrophobicContact CG2-CD2 4.08Å; T27-Y31 HydrophobicContact CG2-CE2 4.12Å; T27-Y31 PolarHBondContact O-N 2.87Å; T27-Y31 VanDerWaalsContact O-N 3.17Å
28P85.9Confident90.4Very high58 Ų5862.2 Ų62.238%0.37730%0.299SS..Hα-helixtrans-63.3-19.5179.1-19.431.5000115.5R25 N26 F107R25-P28 WeakPolarHBondContact O-CD 3.22Å; N26-P28 VanDerWaalsContact C-N 3.25Å; N26-P28 WeakPolarHBondContact O-CD 3.48Å; N26-P28 VanDerWaalsContact O-N 3.11Å; P28-F107 HydrophobicContact CB-CD2 4.49Å; P28-F107 HydrophobicContact CB-CE1 4.35Å; P28-F107 HydrophobicContact CB-CE2 3.44Å; P28-F107 VanDerWaalsContact CB-CE2 3.44Å; P28-F107 HydrophobicContact CB-CZ 3.36Å; P28-F107 HydrophobicContact CG-CD2 4.16Å; P28-F107 HydrophobicContact CG-CE2 3.4Å; P28-F107 VanDerWaalsContact CG-CE2 3.4Å; P28-F107 HydrophobicContact CG-CZ 3.91Å
29F88.6Confident90.4Very high149 Ų14958.8 Ų58.865%0.65428%0.284SS*.Hα-helixtrans-103.5-13-178.1-53-73.3000112.5N26 T27N26-F29 PolarHBondContact O-N 3.12Å; T27-F29 PolarHBondContact O-N 3.06Å; T27-F29 VanDerWaalsContact O-N 3.12Å
30L91.9Very high90.5Very high55 Ų5561.9 Ų61.929%0.28830%0.298SS..Hα-helixtrans-110.1-18.7-169.6-66.3177.3000112.9N26 T27 F367 M403 A404N26-L30 HydrophobicContact CB-CD1 3.81Å; N26-L30 HydrophobicContact CB-CG 4.41Å; N26-L30 WeakPolarHBondContact O-CG 3.38Å; N26-L30 PolarHBondContact O-N 3.31Å; T27-L30 PolarHBondContact O-N 3.03Å; L30-F367 HydrophobicContact CB-CE2 4.17Å; L30-F367 HydrophobicContact CB-CZ 4.28Å; L30-F367 HydrophobicContact CD2-CE2 4.31Å; L30-M403 WeakPolarHBondContact O-CA 3.46Å; L30-A404 PolarHBondContact O-N 3.49Å
31Y90.4Very high90.8Very high3 Ų362.8 Ų62.81%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-141141-171.1-57.2-92.8000111.9W23 T27 V34 F367 H369 W401 Q402W23-Y31 HydrophobicContact CZ2-CE2 4.27Å; W23-Y31 AromaticContact NE1-CE2 3.43Å; W23-Y31 AromaticContact NE1-CZ 3.5Å; W23-Y31 PolarHBondContact NE1-OH 2.78Å; T27-Y31 HydrophobicContact CG2-CD2 4.08Å; T27-Y31 HydrophobicContact CG2-CE2 4.12Å; T27-Y31 PolarHBondContact O-N 2.87Å; T27-Y31 VanDerWaalsContact O-N 3.17Å; Y31-V34 HydrophobicContact CD1-CG2 3.76Å; Y31-V34 HydrophobicContact CD2-CG2 3.76Å; Y31-V34 HydrophobicContact CE1-CG2 4.48Å; Y31-V34 HydrophobicContact CG-CG2 3.34Å; Y31-F367 HydrophobicContact CD1-CZ 4.15Å; Y31-F367 AromaticContact CE1-CE1 3.63Å; Y31-F367 HydrophobicContact CE1-CE1 3.63Å; Y31-F367 AromaticContact CE1-CZ 3.49Å; Y31-F367 HydrophobicContact CE1-CZ 3.49Å; Y31-F367 VanDerWaalsContact CE1-CZ 3.49Å; Y31-F367 HydrophobicContact CE2-CZ 4.03Å; Y31-F367 AromaticContact CZ-CE1 3.77Å; Y31-F367 AromaticContact CZ-CZ 3.4Å; Y31-F367 WeakPolarHBondContact OH-CE1 3.14Å; Y31-F367 WeakPolarHBondContact OH-CZ 3.07Å; Y31-H369 AromaticContact CE1-ND1 3.55Å; Y31-H369 AromaticContact CZ-ND1 3.62Å; Y31-H369 PolarHBondContact OH-ND1 3.25Å; Y31-W401 HydrophobicContact CD1-CB 4.21Å; Y31-W401 AromaticContact CD1-CE3 3.95Å; Y31-W401 HydrophobicContact CD1-CE3 3.95Å; Y31-W401 HydrophobicContact CE1-CB 4.37Å; Y31-W401 HydrophobicContact CE1-CD2 4.13Å; Y31-W401 AromaticContact CE1-CE3 3.6Å; Y31-W401 HydrophobicContact CE1-CE3 3.6Å; Y31-W401 HydrophobicContact CE1-CG 4.47Å; Y31-W401 HydrophobicContact CE1-CZ3 4.23Å; Y31-Q402 VanDerWaalsContact CA-O 3.23Å; Y31-Q402 WeakPolarHBondContact CA-O 3.38Å; Y31-Q402 VanDerWaalsContact CB-O 3.32Å; Y31-Q402 WeakPolarHBondContact CB-O 3.48Å
32D88.1Confident91.1Very high76 Ų7658.6 Ų58.641%0.40629%0.285SS..EExtended strand (participates in β ladder)trans-85.4-27.8166.2-66.3-29000111.1Q402 A404 E405D32-Q402 PolarHBondContact N-O 2.8Å; D32-A404 WeakPolarHBondContact OD2-CA 3.47Å; D32-E405 PolarHBondContact OD2-N 2.58Å
33L87.1Confident91.4Very high11 Ų1154.1 Ų54.16%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-137130.6177.9-179.266.2000110.8M35 V85 P86 V400 W401 Q402L33-M35 HydrophobicContact CD1-CG 3.85Å; L33-M35 HydrophobicContact CD1-SD 4.02Å; L33-M35 HydrophobicContact CD2-SD 4.39Å; L33-M35 HydrophobicContact CG-CG 4.35Å; L33-M35 HydrophobicContact CG-SD 4.49Å; L33-V85 HydrophobicContact CD2-CG1 4.17Å; L33-P86 HydrophobicContact CD1-CG 4.16Å; L33-V400 HydrophobicContact CD2-CG1 4.25Å; L33-W401 CarbonylContact O-C 3.53Å; L33-W401 WeakPolarHBondContact O-CA 3.48Å; L33-W401 WeakPolarHBondContact O-CB 3.09Å; L33-Q402 HydrophobicContact CB-CB 3.74Å; L33-Q402 PolarHBondContact N-O 3.43Å; L33-Q402 PolarHBondContact O-N 3.44Å
34V88.8Confident91.6Very high5 Ų554.3 Ų54.33%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-141.3112.6164.1-174.20000109.8W23 Y31 G106 F107W23-V34 HydrophobicContact CH2-CG1 4.04Å; W23-V34 HydrophobicContact CZ2-CG1 4.26Å; Y31-V34 HydrophobicContact CD1-CG2 3.76Å; Y31-V34 HydrophobicContact CD2-CG2 3.76Å; Y31-V34 HydrophobicContact CE1-CG2 4.48Å; Y31-V34 HydrophobicContact CG-CG2 3.34Å; V34-G106 CarbonylContact O-C 3.55Å; V34-G106 WeakPolarHBondContact O-CA 3.34Å; V34-F107 HydrophobicContact CB-CB 4.26Å; V34-F107 PolarHBondContact O-N 2.96Å
35M88.1Confident92.1Very high11 Ų1149.3 Ų49.35%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-114.5115.6172.8-61.2169.350.400108.8L33 V83 G112 I114 Q399 V400L33-M35 HydrophobicContact CD1-CG 3.85Å; L33-M35 HydrophobicContact CD1-SD 4.02Å; L33-M35 HydrophobicContact CD2-SD 4.39Å; L33-M35 HydrophobicContact CG-CG 4.35Å; L33-M35 HydrophobicContact CG-SD 4.49Å; M35-V83 HydrophobicContact CE-CG1 3.67Å; M35-V83 HydrophobicContact SD-CG1 4.43Å; M35-G112 VanDerWaalsContact CE-C 3.42Å; M35-G112 VanDerWaalsContact CE-CA 3.41Å; M35-G112 VanDerWaalsContact CE-O 3.26Å; M35-G112 WeakPolarHBondContact CE-O 3.34Å; M35-I114 HydrophobicContact CE-CD1 3.91Å; M35-I114 HydrophobicContact CE-CG1 3.94Å; M35-Q399 CarbonylContact O-C 3.51Å; M35-Q399 VanDerWaalsContact O-CA 3.25Å; M35-Q399 WeakPolarHBondContact O-CA 3.5Å; M35-V400 HydrophobicContact CB-CB 4.18Å; M35-V400 PolarHBondContact N-O 3.11Å; M35-V400 PolarHBondContact O-N 2.73Å; M35-V400 HydrophobicContact SD-CB 4.32Å; M35-V400 HydrophobicContact SD-CG1 4.36Å
36T90.6Very high92.5Very high22 Ų2240.2 Ų40.214%0.13521%0.208CC..EExtended strand (participates in β ladder)trans-105.7128.7174.8-53.30000109.7I397 Q399T36-I397 HydrophobicContact CG2-CG2 3.94Å; T36-Q399 HydrophobicContact CG2-CG 4.25Å
37H91.7Very high92.9Very high62 Ų6238.6 Ų38.629%0.28720%0.198SC..EExtended strand (participates in β ladder)trans-132.5124.6178.9-171.981.2000110.3L39 I114 M398H37-L39 PolarHBondContact O-N 2.76Å; H37-I114 HydrophobicContact CB-CD1 3.48Å; H37-I114 VanDerWaalsContact CB-CD1 3.48Å; H37-M398 HydrophobicContact CB-CE 4.33Å; H37-M398 PolarHBondContact N-O 3.03Å; H37-M398 PolarHBondContact O-N 2.97Å
38A94.4Very high93.4Very high50 Ų5038.2 Ų38.241%0.41320%0.196SC..EExtended strand (participates in β ladder)trans-82.1112.1171.800000108.9I397A38-I397 HydrophobicContact CB-CD1 4.26Å
39L94.6Very high94Very high21 Ų2135.5 Ų35.511%0.1118%0.178CC..  trans-70.7155174-63.5170.2000110.4H37 W41 L67 N396 M398H37-L39 PolarHBondContact O-N 2.76Å; L39-W41 VanDerWaalsContact C-N 3.26Å; L39-W41 WeakPolarHBondContact CB-O 2.91Å; L39-W41 PolarHBondContact O-N 2.8Å; L39-L67 HydrophobicContact CD2-CD1 4.33Å; L39-N396 WeakPolarHBondContact CB-O 3.39Å; L39-N396 PolarHBondContact N-O 2.87Å; L39-N396 WeakPolarHBondContact O-CB 3.49Å; L39-N396 PolarHBondContact O-ND2 2.95Å; L39-M398 HydrophobicContact CD1-CB 4.02Å; L39-M398 HydrophobicContact CD2-CB 4.41Å; L39-M398 HydrophobicContact CD2-SD 4.46Å; L39-M398 HydrophobicContact CG-CB 4.04Å
40E94.3Very high94.5Very high128 Ų12830.3 Ų30.360%0.59816%0.159SC*.SBendtrans-59.9-41.1172.1-173.4178.7-169.900111.3K119 N396E40-K119 IonicContact OE2-NZ 2.66Å; E40-K119 PolarHBondContact OE2-NZ 3.32Å; E40-N396 PolarHBondContact O-ND2 2.82Å
41W96.9Very high94.6Very high73 Ų7330.5 Ų30.528%0.27716%0.16SC..SBendtrans-134.9150.4177.1-66.6111.7000110L39 T69 T71 E74 N396L39-W41 VanDerWaalsContact C-N 3.26Å; L39-W41 WeakPolarHBondContact CB-O 2.91Å; L39-W41 PolarHBondContact O-N 2.8Å; W41-T69 HydrophobicContact CB-CG2 4.24Å; W41-T71 HydrophobicContact CB-CG2 3.92Å; W41-T71 HydrophobicContact CD2-CG2 3.48Å; W41-T71 VanDerWaalsContact CD2-CG2 3.48Å; W41-T71 HydrophobicContact CE3-CG2 4.03Å; W41-T71 HydrophobicContact CG-CG2 3.38Å; W41-E74 HydrophobicContact CZ2-CB 4.47Å; W41-E74 HydrophobicContact CZ2-CG 4Å; W41-E74 VanDerWaalsContact CZ2-OE2 3.24Å; W41-E74 WeakPolarHBondContact CZ2-OE2 3.43Å; W41-E74 PolarHBondContact NE1-OE2 3.36Å; W41-N396 VanDerWaalsContact CA-ND2 3.33Å; W41-N396 WeakPolarHBondContact CA-ND2 3.26Å
42P97.8Very high94.9Very high15 Ų1532.3 Ų32.310%0.09717%0.171CC..  trans-56.7149.2173.3-19.230.2000111.4T69 H70 E394 N396P42-T69 CarbonylContact O-C 3.59Å; P42-T69 WeakPolarHBondContact O-CA 3.46Å; P42-H70 PolarHBondContact O-N 2.85Å; P42-E394 VanDerWaalsContact CG-O 3.27Å; P42-E394 WeakPolarHBondContact CG-O 3.23Å; P42-N396 WeakPolarHBondContact CD-ND2 3.35Å; P42-N396 WeakPolarHBondContact CG-OD1 3.47Å
43S98.7Very high95.3Very high0 Ų033.4 Ų33.40%018%0.178CC..  trans-112.7125.6171.9-170.50000109.3T45 G68 V392S43-T45 PolarHBondContact O-N 3.03Å; S43-T45 PolarHBondContact OG-N 2.86Å; S43-T45 PolarHBondContact OG-O 2.77Å; S43-G68 WeakPolarHBondContact CA-O 3.4Å; S43-G68 VanDerWaalsContact CB-O 3.25Å; S43-G68 WeakPolarHBondContact CB-O 3.44Å; S43-G68 PolarHBondContact OG-N 3.23Å; S43-G68 PolarHBondContact OG-O 3.21Å; S43-G68 VanDerWaalsContact OG-O 3.07Å; S43-V392 VanDerWaalsContact O-CG2 3.24Å; S43-V392 WeakPolarHBondContact O-CG2 3.38Å
44L98.8Very high95.6Very high23 Ų2339.7 Ų39.712%0.1220%0.2CC..SBendtrans-79.3-5171.6-64.3175000112.5H70 E125L44-H70 HydrophobicContact CD1-CB 4.08Å; L44-H70 HydrophobicContact CG-CB 3.91Å; L44-E125 HydrophobicContact CD1-CG 4.21Å
45T98.9Very high95.8Very high0 Ų041.2 Ų41.20%021%0.21CC..  trans-144.5145.3-173.1-1620000112.5S43 V126 A129 R130 D378S43-T45 PolarHBondContact O-N 3.03Å; S43-T45 PolarHBondContact OG-N 2.86Å; S43-T45 PolarHBondContact OG-O 2.77Å; T45-V126 HydrophobicContact CG2-CG1 4.01Å; T45-A129 HydrophobicContact CG2-CB 3.76Å; T45-A129 PolarHBondContact OG1-N 2.94Å; T45-R130 PolarHBondContact OG1-NH1 3.42Å; T45-D378 WeakPolarHBondContact CA-OD2 3.09Å; T45-D378 PolarHBondContact OG1-OD2 2.91Å
46V98.9Very high96Very high1 Ų150.1 Ų50.11%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-147136.9168.964.20000110.1L65 V66 L67 D378 F379 C390 V392V46-L65 HydrophobicContact CG2-CD1 4.48Å; V46-L65 HydrophobicContact CG2-CD2 3.81Å; V46-V66 WeakPolarHBondContact CA-O 3.23Å; V46-L67 HydrophobicContact CB-CD2 3.85Å; V46-L67 HydrophobicContact CG2-CD2 3.62Å; V46-D378 HydrophobicContact CG1-CB 4.14Å; V46-D378 PolarHBondContact N-OD2 3.23Å; V46-F379 VanDerWaalsContact CG1-CA 3.49Å; V46-C390 HydrophobicContact CG2-CB 4.11Å; V46-V392 HydrophobicContact CB-CG1 4.06Å; V46-V392 HydrophobicContact CB-CG2 4.07Å; V46-V392 HydrophobicContact CG1-CG1 4.35Å; V46-V392 HydrophobicContact CG1-CG2 3.93Å; V46-V392 HydrophobicContact CG2-CG1 4.47Å
47Q98.9Very high95.8Very high37 Ų3753.3 Ų53.317%0.17329%0.289CS..EExtended strand (participates in β ladder)trans-148.8129.6171.3-166.1-179.734.700110.8L49 L65 V66 R130 Y131Q47-L49 PolarHBondContact O-N 2.92Å; Q47-L65 CarbonylContact O-C 3.5Å; Q47-L65 WeakPolarHBondContact O-CA 3.32Å; Q47-V66 HydrophobicContact CB-CB 4.49Å; Q47-V66 PolarHBondContact N-O 3.2Å; Q47-V66 PolarHBondContact O-N 2.83Å; Q47-R130 VanDerWaalsContact OE1-CA 3.25Å; Q47-Y131 VanDerWaalsContact CD-CE1 3.49Å; Q47-Y131 HydrophobicContact CG-CD1 4.08Å; Q47-Y131 HydrophobicContact CG-CE1 3.99Å
48W98.9Very high95.7Very high3 Ų355.7 Ų55.71%0.01130%0.299CS..EExtended strand (participates in β ladder)trans-64.4130.6168.8-67.997.4000111.1H63 L65 V83 V85 Y131 S380 N382 P383 V388 C390 V400W48-H63 HydrophobicContact CE3-CB 3.76Å; W48-H63 HydrophobicContact CH2-CB 4.36Å; W48-H63 HydrophobicContact CZ3-CB 3.35Å; W48-L65 HydrophobicContact CB-CD2 4.39Å; W48-L65 HydrophobicContact CD2-CD2 3.33Å; W48-L65 HydrophobicContact CD2-CG 4.27Å; W48-L65 HydrophobicContact CE3-CD2 3.45Å; W48-L65 VanDerWaalsContact CE3-CD2 3.45Å; W48-L65 HydrophobicContact CE3-CG 3.89Å; W48-L65 HydrophobicContact CG-CD2 3.73Å; W48-L65 HydrophobicContact CH2-CD2 4.23Å; W48-L65 HydrophobicContact CH2-CG 4.41Å; W48-L65 HydrophobicContact CZ2-CD2 4.14Å; W48-L65 HydrophobicContact CZ3-CD1 4.49Å; W48-L65 HydrophobicContact CZ3-CD2 3.87Å; W48-L65 HydrophobicContact CZ3-CG 3.93Å; W48-V83 HydrophobicContact CH2-CB 4.22Å; W48-V83 HydrophobicContact CH2-CG1 4.27Å; W48-V83 HydrophobicContact CH2-CG2 4.29Å; W48-V83 HydrophobicContact CZ3-CB 4.12Å; W48-V83 HydrophobicContact CZ3-CG2 4.15Å; W48-V85 HydrophobicContact CH2-CG2 4.27Å; W48-Y131 VanDerWaalsContact O-CE1 3.22Å; W48-Y131 WeakPolarHBondContact O-CE1 3.43Å; W48-S380 VanDerWaalsContact CD1-O 3.26Å; W48-S380 PolarHBondContact N-OG 3.1Å; W48-S380 PolarHBondContact NE1-O 2.87Å; W48-N382 VanDerWaalsContact CD1-CA 3.42Å; W48-N382 HydrophobicContact CD2-CB 4.12Å; W48-N382 HydrophobicContact CG-CB 4.25Å; W48-N382 HydrophobicContact CZ2-CB 4.29Å; W48-P383 VanDerWaalsContact CB-CD 3.49Å; W48-P383 HydrophobicContact CB-CG 4.35Å; W48-V388 HydrophobicContact CZ2-CG1 4.08Å; W48-C390 HydrophobicContact CZ2-CB 3.74Å; W48-V400 HydrophobicContact CH2-CG1 4.05Å; W48-V400 HydrophobicContact CH2-CG2 4.27Å; W48-V400 HydrophobicContact CZ2-CG1 3.97Å; W48-V400 HydrophobicContact CZ2-CG2 4.29Å
49L98.8Very high95.3Very high0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-71.9146.2162.5-73.4176000109.2Q47 D51 R64 V66 I80 Y131 P136 Y153Q47-L49 PolarHBondContact O-N 2.92Å; L49-D51 VanDerWaalsContact C-N 3.3Å; L49-D51 WeakPolarHBondContact CB-OD1 3.14Å; L49-D51 PolarHBondContact O-N 3.05Å; L49-R64 HydrophobicContact CB-CB 4.16Å; L49-R64 HydrophobicContact CD1-CB 3.9Å; L49-R64 HydrophobicContact CG-CB 4.46Å; L49-R64 PolarHBondContact N-O 3.25Å; L49-V66 HydrophobicContact CD1-CG2 4.34Å; L49-V66 HydrophobicContact CD2-CG2 3.69Å; L49-V66 HydrophobicContact CG-CG2 3.79Å; L49-I80 HydrophobicContact CD1-CG2 4.16Å; L49-Y131 HydrophobicContact CD2-CD1 4.02Å; L49-Y131 HydrophobicContact CD2-CG 4.03Å; L49-P136 HydrophobicContact CD2-CB 4.29Å; L49-Y153 HydrophobicContact CD1-CE1 4.39Å
50P97.8Very high95Very high40 Ų4058 Ų5826%0.2630%0.301SS..EExtended strand (participates in β ladder)trans-77.1-16.8-172.831-35.5000113.1Y131 P136 N384P50-Y131 HydrophobicContact CG-CE2 3.88Å; P50-P136 HydrophobicContact CG-CB 3.89Å; P50-P136 HydrophobicContact CG-CG 3.48Å; P50-P136 VanDerWaalsContact CG-CG 3.48Å; P50-N384 PolarHBondContact O-ND2 2.9Å
51D94.9Very high94.9Very high60 Ų6052 Ų5232%0.32127%0.273SS..EExtended strand (participates in β ladder)trans-77.2143.4179.162.1-81000112.8L49 R64L49-D51 VanDerWaalsContact C-N 3.3Å; L49-D51 WeakPolarHBondContact CB-OD1 3.14Å; L49-D51 PolarHBondContact O-N 3.05Å; D51-R64 IonicContact OD1-CZ 2.8Å; D51-R64 IonicContact OD1-NE 3.72Å; D51-R64 IonicContact OD1-NH2 2.58Å; D51-R64 PolarHBondContact OD1-NH2 2.91Å; D51-R64 IonicContact OD2-CZ 3.86Å; D51-R64 IonicContact OD2-NE 3.16Å; D51-R64 PolarHBondContact OD2-NE 3.37Å; D51-R64 IonicContact OD2-NH2 3.93Å; D51-R64 PolarHBondContact OD2-NH2 2.85Å
52V95.9Very high94.9Very high40 Ų4049.8 Ų49.824%0.24227%0.268CS..EExtended strand (participates in β ladder)trans-133.4133.1177.8-175.90000108.8R54 T61 H63 N384V52-R54 HydrophobicContact CG1-CG 4.11Å; V52-T61 HydrophobicContact CG1-CG2 4.2Å; V52-H63 WeakPolarHBondContact CG2-CE1 3.47Å; V52-N384 HydrophobicContact CG2-CB 3.61Å; V52-N384 WeakPolarHBondContact CG2-ND2 3.44Å
53N96.1Very high94.9Very high100 Ų10049 Ų4954%0.53526%0.263SS..EExtended strand (participates in β ladder)trans-103.7129.1170.8-178.48000109.3P55 V62N53-P55 WeakPolarHBondContact O-CD 3.39Å; N53-V62 HydrophobicContact CB-CB 4.25Å; N53-V62 PolarHBondContact N-O 3.25Å; N53-V62 PolarHBondContact O-N 2.81Å
54R94.6Very high94.9Very high142 Ų14250.7 Ų50.754%0.53627%0.269SS..  trans-116.687.9-179.9-55.3-166.8-179.3-102.7-6.7109.1V52 E56 T61 E385V52-R54 HydrophobicContact CG1-CG 4.11Å; R54-E56 PolarHBondContact O-N 3.17Å; R54-T61 HydrophobicContact CB-CG2 4.47Å; R54-T61 HydrophobicContact CG-CG2 3.72Å; R54-E385 IonicContact CZ-OE1 3.46Å; R54-E385 IonicContact NH1-OE1 3.19Å; R54-E385 PolarHBondContact NH1-OE1 3.05Å; R54-E385 IonicContact NH2-OE1 2.82Å; R54-E385 PolarHBondContact NH2-OE1 2.87Å
55P92Very high94.9Very high37 Ų3749.6 Ų49.624%0.2426%0.264CS..  trans-63.3131.1-176.9-19.932.3000111.7N53 G57 K58 Y60 V62N53-P55 WeakPolarHBondContact O-CD 3.39Å; P55-G57 PolarHBondContact O-N 3.4Å; P55-K58 HydrophobicContact CB-CB 4.17Å; P55-K58 HydrophobicContact CB-CG 3.78Å; P55-K58 PolarHBondContact O-N 2.94Å; P55-Y60 HydrophobicContact CG-CE2 4.22Å; P55-V62 HydrophobicContact CG-CG2 4.28Å
56E92Very high94.9Very high198 Ų19849.6 Ų49.693%0.92526%0.264SS*.THydrogen-bonded Turntrans-59.2130.1-179-68.7-175.7179.600112R54 K58R54-E56 PolarHBondContact O-N 3.17Å; E56-K58 VanDerWaalsContact C-N 3.29Å; E56-K58 PolarHBondContact O-N 3.18Å
57G88.3Confident94.9Very high89 Ų8949.7 Ų49.792%0.91826%0.264SS*.THydrogen-bonded Turntrans73.815.517800000114.8P55P55-G57 PolarHBondContact O-N 3.4Å
58K88.3Confident94.9Very high112 Ų11248.1 Ų48.149%0.48726%0.257SS..  trans-104.6148.1170-61.5-57.4-173.7179.60111P55 E56 Y60 N87P55-K58 HydrophobicContact CB-CB 4.17Å; P55-K58 HydrophobicContact CB-CG 3.78Å; P55-K58 PolarHBondContact O-N 2.94Å; E56-K58 VanDerWaalsContact C-N 3.29Å; E56-K58 PolarHBondContact O-N 3.18Å; K58-Y60 VanDerWaalsContact C-N 3.25Å; K58-Y60 HydrophobicContact CB-CD1 4.04Å; K58-Y60 HydrophobicContact CB-CE1 3.87Å; K58-Y60 HydrophobicContact CB-CG 4.48Å; K58-Y60 HydrophobicContact CD-CE1 3.95Å; K58-Y60 HydrophobicContact CG-CE1 3.99Å; K58-Y60 PolarHBondContact O-N 2.89Å; K58-N87 PolarHBondContact O-ND2 3.19Å
59D86.1Confident94.8Very high77 Ų7748.4 Ų48.441%0.41226%0.26SS..SBendtrans-89.216.9177.456.2-14.5000112.6N87 A90D59-N87 PolarHBondContact O-N 2.8Å; D59-A90 HydrophobicContact CB-CB 4.12Å
60Y88.9Confident94.7Very high44 Ų4452.1 Ų52.117%0.17328%0.277CS..EExtended strand (participates in β ladder)trans-141.2155.117763.7-96.7000111.3P55 K58 V62 Q84 V85 N87P55-Y60 HydrophobicContact CG-CE2 4.22Å; K58-Y60 VanDerWaalsContact C-N 3.25Å; K58-Y60 HydrophobicContact CB-CD1 4.04Å; K58-Y60 HydrophobicContact CB-CE1 3.87Å; K58-Y60 HydrophobicContact CB-CG 4.48Å; K58-Y60 HydrophobicContact CD-CE1 3.95Å; K58-Y60 HydrophobicContact CG-CE1 3.99Å; K58-Y60 PolarHBondContact O-N 2.89Å; Y60-V62 HydrophobicContact CD2-CG2 4.05Å; Y60-V62 HydrophobicContact CE2-CG2 3.79Å; Y60-Q84 HydrophobicContact CD2-CB 3.97Å; Y60-Q84 HydrophobicContact CD2-CG 3.89Å; Y60-Q84 HydrophobicContact CE2-CG 3.98Å; Y60-Q84 HydrophobicContact CG-CB 4.29Å; Y60-V85 CarbonylContact C-O 3.57Å; Y60-V85 VanDerWaalsContact CA-O 3.24Å; Y60-V85 WeakPolarHBondContact CA-O 3.48Å; Y60-V85 WeakPolarHBondContact CB-O 3.47Å; Y60-N87 VanDerWaalsContact C-OD1 3.23Å; Y60-N87 WeakPolarHBondContact CA-OD1 3.37Å
61T92.6Very high94.5Very high1 Ų150.5 Ų50.51%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-102.2151.2165.352.80000110.7V52 R54 H63 Q84 V85 N87V52-T61 HydrophobicContact CG1-CG2 4.2Å; R54-T61 HydrophobicContact CB-CG2 4.47Å; R54-T61 HydrophobicContact CG-CG2 3.72Å; T61-H63 WeakPolarHBondContact CB-NE2 3.34Å; T61-H63 PolarHBondContact OG1-CD2 3.17Å; T61-H63 PolarHBondContact OG1-NE2 3.37Å; T61-Q84 CarbonylContact O-C 3.53Å; T61-Q84 VanDerWaalsContact O-CA 3.3Å; T61-Q84 WeakPolarHBondContact O-CA 3.39Å; T61-V85 PolarHBondContact N-O 2.97Å; T61-V85 PolarHBondContact O-N 3.5Å; T61-V85 PolarHBondContact OG1-O 3.22Å; T61-N87 VanDerWaalsContact CG2-OD1 3.29Å; T61-N87 WeakPolarHBondContact CG2-OD1 3.46Å; T61-N87 PolarHBondContact N-OD1 2.84Å
62V95.7Very high94Very high26 Ų2653 Ų5316%0.15829%0.288CS..EExtended strand (participates in β ladder)trans-105.1113.1172.9-172.40000108.2N53 P55 Y60 V83 Q84N53-V62 HydrophobicContact CB-CB 4.25Å; N53-V62 PolarHBondContact N-O 3.25Å; N53-V62 PolarHBondContact O-N 2.81Å; P55-V62 HydrophobicContact CG-CG2 4.28Å; Y60-V62 HydrophobicContact CD2-CG2 4.05Å; Y60-V62 HydrophobicContact CE2-CG2 3.79Å; V62-V83 WeakPolarHBondContact CA-O 3.45Å; V62-Q84 HydrophobicContact CG2-CG 4.35Å
63H97.8Very high93.5Very high0 Ų059 Ų590%032%0.319CS..EExtended strand (participates in β ladder)trans-102.7165.4173-66.9-103.3000109.5W48 V52 T61 S82 V83 V85 N382 E385W48-H63 HydrophobicContact CE3-CB 3.76Å; W48-H63 HydrophobicContact CH2-CB 4.36Å; W48-H63 HydrophobicContact CZ3-CB 3.35Å; V52-H63 WeakPolarHBondContact CG2-CE1 3.47Å; T61-H63 WeakPolarHBondContact CB-NE2 3.34Å; T61-H63 PolarHBondContact OG1-CD2 3.17Å; T61-H63 PolarHBondContact OG1-NE2 3.37Å; H63-S82 CarbonylContact O-C 3.16Å; H63-S82 WeakPolarHBondContact O-CA 3.4Å; H63-V83 PolarHBondContact N-O 3.14Å; H63-V83 PolarHBondContact O-N 2.7Å; H63-V85 HydrophobicContact CB-CG2 4.46Å; H63-N382 PolarHBondContact ND1-ND2 3.33Å; H63-E385 IonicContact NE2-OE1 2.73Å
64R98.4Very high93.4Very high35 Ų3559.3 Ų59.313%0.13232%0.318CS..EExtended strand (participates in β ladder)trans-129148.7176-62.6-171.8-64.2152.26.5112.1L49 D51 I80 A81 E117 Y153L49-R64 HydrophobicContact CB-CB 4.16Å; L49-R64 HydrophobicContact CD1-CB 3.9Å; L49-R64 HydrophobicContact CG-CB 4.46Å; L49-R64 PolarHBondContact N-O 3.25Å; D51-R64 IonicContact OD1-CZ 2.8Å; D51-R64 IonicContact OD1-NE 3.72Å; D51-R64 IonicContact OD1-NH2 2.58Å; D51-R64 PolarHBondContact OD1-NH2 2.91Å; D51-R64 IonicContact OD2-CZ 3.86Å; D51-R64 IonicContact OD2-NE 3.16Å; D51-R64 PolarHBondContact OD2-NE 3.37Å; D51-R64 IonicContact OD2-NH2 3.93Å; D51-R64 PolarHBondContact OD2-NH2 2.85Å; R64-I80 HydrophobicContact CB-CG2 4.46Å; R64-A81 CarbonylContact C-O 3.52Å; R64-A81 WeakPolarHBondContact CA-O 3.38Å; R64-E117 WeakPolarHBondContact CD-OE2 3.45Å; R64-E117 IonicContact NH1-OE2 2.76Å; R64-Y153 PolarHBondContact NH1-OH 2.84Å; R64-Y153 PolarHBondContact NH2-OH 2.98Å
65L98.7Very high93.5Very high0 Ų055.9 Ų55.90%031%0.307CS..EExtended strand (participates in β ladder)trans-120.4141.4178.8-70.3170.9000109.7V46 Q47 W48 L67 I80 A81 V83 C390 M398V46-L65 HydrophobicContact CG2-CD1 4.48Å; V46-L65 HydrophobicContact CG2-CD2 3.81Å; Q47-L65 CarbonylContact O-C 3.5Å; Q47-L65 WeakPolarHBondContact O-CA 3.32Å; W48-L65 HydrophobicContact CB-CD2 4.39Å; W48-L65 HydrophobicContact CD2-CD2 3.33Å; W48-L65 HydrophobicContact CD2-CG 4.27Å; W48-L65 HydrophobicContact CE3-CD2 3.45Å; W48-L65 VanDerWaalsContact CE3-CD2 3.45Å; W48-L65 HydrophobicContact CE3-CG 3.89Å; W48-L65 HydrophobicContact CG-CD2 3.73Å; W48-L65 HydrophobicContact CH2-CD2 4.23Å; W48-L65 HydrophobicContact CH2-CG 4.41Å; W48-L65 HydrophobicContact CZ2-CD2 4.14Å; W48-L65 HydrophobicContact CZ3-CD1 4.49Å; W48-L65 HydrophobicContact CZ3-CD2 3.87Å; W48-L65 HydrophobicContact CZ3-CG 3.93Å; L65-L67 HydrophobicContact CB-CG 4.27Å; L65-I80 WeakPolarHBondContact O-CA 3.27Å; L65-A81 PolarHBondContact N-O 2.99Å; L65-A81 PolarHBondContact O-N 2.8Å; L65-V83 HydrophobicContact CD1-CG2 3.5Å; L65-V83 VanDerWaalsContact CD1-CG2 3.5Å; L65-V83 HydrophobicContact CG-CG2 3.95Å; L65-C390 HydrophobicContact CD1-CB 4.37Å; L65-C390 HydrophobicContact CD2-CB 4Å; L65-M398 HydrophobicContact CD1-CE 4.25Å; L65-M398 HydrophobicContact CD1-SD 3.83Å
66V98.9Very high93.8Very high0 Ų054.6 Ų54.60%030%0.298CS..EExtended strand (participates in β ladder)trans-91.4125.3160.9-174.30000107.9V46 Q47 L49 L78 A129 I139V46-V66 WeakPolarHBondContact CA-O 3.23Å; Q47-V66 HydrophobicContact CB-CB 4.49Å; Q47-V66 PolarHBondContact N-O 3.2Å; Q47-V66 PolarHBondContact O-N 2.83Å; L49-V66 HydrophobicContact CD1-CG2 4.34Å; L49-V66 HydrophobicContact CD2-CG2 3.69Å; L49-V66 HydrophobicContact CG-CG2 3.79Å; V66-L78 HydrophobicContact CG1-CD1 3.82Å; V66-A129 HydrophobicContact CG1-CB 3.62Å; V66-I139 HydrophobicContact CG1-CD1 4Å; V66-I139 HydrophobicContact CG1-CG2 4.1Å; V66-I139 HydrophobicContact CG2-CD1 3.76Å; V66-I139 HydrophobicContact CG2-CG1 4.49Å
67L98.9Very high94.1Very high2 Ų246.3 Ų46.31%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-130.7164.8180-65.3170.3000109.9L39 V46 L65 V79 A81 V392 M398L39-L67 HydrophobicContact CD2-CD1 4.33Å; V46-L67 HydrophobicContact CB-CD2 3.85Å; V46-L67 HydrophobicContact CG2-CD2 3.62Å; L65-L67 HydrophobicContact CB-CG 4.27Å; L67-V79 HydrophobicContact CB-CB 4.05Å; L67-V79 HydrophobicContact CB-CG1 4.44Å; L67-V79 PolarHBondContact N-O 2.97Å; L67-V79 PolarHBondContact O-N 3.48Å; L67-A81 HydrophobicContact CD1-CB 3.97Å; L67-V392 HydrophobicContact CD2-CG1 4.11Å; L67-M398 HydrophobicContact CD1-SD 3.85Å; L67-M398 HydrophobicContact CD2-SD 4.03Å
68G98.6Very high94.6Very high4 Ų442.1 Ų42.14%0.04122%0.216CC..EExtended strand (participates in β ladder)trans-123.1172.6172.800000111.5S43S43-G68 WeakPolarHBondContact CA-O 3.4Å; S43-G68 VanDerWaalsContact CB-O 3.25Å; S43-G68 WeakPolarHBondContact CB-O 3.44Å; S43-G68 PolarHBondContact OG-N 3.23Å; S43-G68 PolarHBondContact OG-O 3.21Å; S43-G68 VanDerWaalsContact OG-O 3.07Å
69T98.4Very high95.1Very high9 Ų937.2 Ų37.26%0.05520%0.196CC..  trans-115.2149.4163.863.70000110W41 P42 N76 H77 V79 E125 V126W41-T69 HydrophobicContact CB-CG2 4.24Å; P42-T69 CarbonylContact O-C 3.59Å; P42-T69 WeakPolarHBondContact O-CA 3.46Å; T69-N76 VanDerWaalsContact C-OD1 3.27Å; T69-N76 PolarHBondContact O-OD1 2.59Å; T69-N76 WeakPolarHBondContact OG1-CA 3.47Å; T69-N76 WeakPolarHBondContact OG1-CB 3.49Å; T69-N76 PolarHBondContact OG1-OD1 3.18Å; T69-H77 HydrophobicContact CG2-CB 4.21Å; T69-H77 PolarHBondContact N-O 2.63Å; T69-H77 PolarHBondContact OG1-N 3.34Å; T69-V79 HydrophobicContact CG2-CG2 4.1Å; T69-E125 WeakPolarHBondContact O-CA 3.49Å; T69-E125 WeakPolarHBondContact O-CB 3.37Å; T69-V126 PolarHBondContact O-N 3.42Å
70H96.9Very high95.7Very high78 Ų7833.6 Ų33.636%0.36118%0.176SC..  trans-128.295.4168.5179-161000108.7P42 L44 E125P42-H70 PolarHBondContact O-N 2.85Å; L44-H70 HydrophobicContact CD1-CB 4.08Å; L44-H70 HydrophobicContact CG-CB 3.91Å; H70-E125 HydrophobicContact CB-CB 4.14Å
71T93.5Very high96.1Very high7 Ų731.5 Ų31.54%0.04317%0.168CC..  trans-112.6149.8-176.674.90000111W41 E74 N76W41-T71 HydrophobicContact CB-CG2 3.92Å; W41-T71 HydrophobicContact CD2-CG2 3.48Å; W41-T71 VanDerWaalsContact CD2-CG2 3.48Å; W41-T71 HydrophobicContact CE3-CG2 4.03Å; W41-T71 HydrophobicContact CG-CG2 3.38Å; T71-E74 HydrophobicContact CG2-CB 4.29Å; T71-E74 PolarHBondContact OG1-N 3.37Å; T71-E74 PolarHBondContact OG1-O 3.37Å; T71-N76 PolarHBondContact N-OD1 3.35Å; T71-N76 VanDerWaalsContact N-OD1 3.16Å; T71-N76 PolarHBondContact OG1-ND2 3.11Å; T71-N76 PolarHBondContact OG1-OD1 2.77Å
72S83.8Confident96.4Very high112 Ų11231.8 Ų31.878%0.78317%0.17SC*.SBendtrans-74-43.2178.7-50.50000114.1
73D85.3Confident96.3Very high166 Ų16630.6 Ų30.689%0.88816%0.163SC*.SBendtrans-142.55.4-174.6-70.4-53.2000113.5
74E93.6Very high96.1Very high107 Ų10732.4 Ų32.450%0.517%0.171SC..SBendtrans-95.5168.8-179.4-66.6-160.7-179.500112.5W41 T71 N76W41-E74 HydrophobicContact CZ2-CB 4.47Å; W41-E74 HydrophobicContact CZ2-CG 4Å; W41-E74 VanDerWaalsContact CZ2-OE2 3.24Å; W41-E74 WeakPolarHBondContact CZ2-OE2 3.43Å; W41-E74 PolarHBondContact NE1-OE2 3.36Å; T71-E74 HydrophobicContact CG2-CB 4.29Å; T71-E74 PolarHBondContact OG1-N 3.37Å; T71-E74 PolarHBondContact OG1-O 3.37Å; E74-N76 PolarHBondContact O-N 3.13Å
75Q96.6Very high95.7Very high69 Ų6931 Ų3132%0.32217%0.166SC..PPolyproline II helixtrans-66.7119.1173.718055.958.600109.2H77 H122 G164Q75-H77 PolarHBondContact O-CE1 2.86Å; Q75-H77 PolarHBondContact O-ND1 3.5Å; Q75-H122 PolarHBondContact NE2-O 2.89Å; Q75-G164 PolarHBondContact OE1-O 3.24Å; Q75-G164 VanDerWaalsContact OE1-O 3.05Å
76N98.4Very high95.1Very high10 Ų1032.4 Ų32.45%0.05318%0.176CC..PPolyproline II helixtrans-79.1154.5174.9-80.4-73.4000111.7T69 T71 E74 H122 G124 E125T69-N76 VanDerWaalsContact C-OD1 3.27Å; T69-N76 PolarHBondContact O-OD1 2.59Å; T69-N76 WeakPolarHBondContact OG1-CA 3.47Å; T69-N76 WeakPolarHBondContact OG1-CB 3.49Å; T69-N76 PolarHBondContact OG1-OD1 3.18Å; T71-N76 PolarHBondContact N-OD1 3.35Å; T71-N76 VanDerWaalsContact N-OD1 3.16Å; T71-N76 PolarHBondContact OG1-ND2 3.11Å; T71-N76 PolarHBondContact OG1-OD1 2.77Å; E74-N76 PolarHBondContact O-N 3.13Å; N76-H122 PolarHBondContact O-N 2.8Å; N76-G124 VanDerWaalsContact CB-C 3.49Å; N76-G124 WeakPolarHBondContact CB-O 3.18Å; N76-E125 PolarHBondContact ND2-N 3.42Å
77H98.6Very high94.3Very high24 Ų2434.2 Ų34.211%0.11119%0.185CC..EExtended strand (participates in β ladder)trans-137.5142.4-176-56.986.6000112.5T69 Q75 V79 K119 I120T69-H77 HydrophobicContact CG2-CB 4.21Å; T69-H77 PolarHBondContact N-O 2.63Å; T69-H77 PolarHBondContact OG1-N 3.34Å; Q75-H77 PolarHBondContact O-CE1 2.86Å; Q75-H77 PolarHBondContact O-ND1 3.5Å; H77-V79 HydrophobicContact CB-CG2 3.89Å; H77-K119 HydrophobicContact CB-CB 4.38Å; H77-I120 CarbonylContact C-O 3.5Å; H77-I120 WeakPolarHBondContact CA-O 3.18Å
78L98.8Very high93Very high2 Ų241.2 Ų41.21%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-79.8129.4154.1173.163.8000107.9V66 I120 A129 I139 T141 F151V66-L78 HydrophobicContact CG1-CD1 3.82Å; L78-I120 HydrophobicContact CB-CB 4.4Å; L78-I120 HydrophobicContact CD2-CD1 4.43Å; L78-I120 PolarHBondContact N-O 2.88Å; L78-I120 PolarHBondContact O-N 2.89Å; L78-A129 HydrophobicContact CD1-CB 3.94Å; L78-I139 HydrophobicContact CD1-CG2 4.17Å; L78-I139 HydrophobicContact CD2-CB 4.3Å; L78-I139 HydrophobicContact CD2-CD1 4.47Å; L78-I139 HydrophobicContact CD2-CG2 4.06Å; L78-T141 HydrophobicContact CD1-CG2 3.98Å; L78-T141 HydrophobicContact CD2-CG2 4.1Å; L78-F151 HydrophobicContact CD2-CB 4.05Å; L78-F151 HydrophobicContact CD2-CD2 3.84Å; L78-F151 HydrophobicContact CD2-CG 4.02Å
79V98.7Very high91.5Very high8 Ų847 Ų475%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-124134-168.7-177.20000110.4L67 T69 H77 I116 I118 K119L67-V79 HydrophobicContact CB-CB 4.05Å; L67-V79 HydrophobicContact CB-CG1 4.44Å; L67-V79 PolarHBondContact N-O 2.97Å; L67-V79 PolarHBondContact O-N 3.48Å; T69-V79 HydrophobicContact CG2-CG2 4.1Å; H77-V79 HydrophobicContact CB-CG2 3.89Å; V79-I116 HydrophobicContact CG1-CD1 3.74Å; V79-I116 HydrophobicContact CG1-CG1 4.44Å; V79-I116 HydrophobicContact CG1-CG2 3.67Å; V79-I118 WeakPolarHBondContact CA-O 3.4Å; V79-K119 HydrophobicContact CG2-CG 4.31Å
80I98.6Very high89.9Confident2 Ų247.7 Ų47.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-114.1122.3167.1-59.4169.2000107.8L49 R64 L65 E117 I118 I139 Y153L49-I80 HydrophobicContact CD1-CG2 4.16Å; R64-I80 HydrophobicContact CB-CG2 4.46Å; L65-I80 WeakPolarHBondContact O-CA 3.27Å; I80-E117 PolarHBondContact O-N 3.11Å; I80-I118 HydrophobicContact CB-CB 4.16Å; I80-I118 HydrophobicContact CD1-CB 4.4Å; I80-I118 HydrophobicContact CD1-CD1 3.93Å; I80-I118 PolarHBondContact N-O 2.83Å; I80-I118 PolarHBondContact O-N 3.01Å; I80-I139 HydrophobicContact CD1-CD1 4.17Å; I80-I139 HydrophobicContact CG1-CD1 4.43Å; I80-Y153 VanDerWaalsContact CD1-CB 3.45Å; I80-Y153 HydrophobicContact CD1-CD1 3.29Å; I80-Y153 HydrophobicContact CD1-CD2 3.65Å; I80-Y153 HydrophobicContact CD1-CE1 3.8Å; I80-Y153 HydrophobicContact CD1-CE2 4.2Å; I80-Y153 HydrophobicContact CD1-CG 3.19Å
81A98.1Very high87.9Confident0 Ų052.5 Ų52.50%028%0.282CS..EExtended strand (participates in β ladder)trans-116143.318000000110.6R64 L65 L67 E115 I116R64-A81 CarbonylContact C-O 3.52Å; R64-A81 WeakPolarHBondContact CA-O 3.38Å; L65-A81 PolarHBondContact N-O 2.99Å; L65-A81 PolarHBondContact O-N 2.8Å; L67-A81 HydrophobicContact CD1-CB 3.97Å; A81-E115 CarbonylContact C-O 3.59Å; A81-E115 WeakPolarHBondContact CA-O 3.32Å; A81-I116 HydrophobicContact CB-CD1 3.79Å
82S97.3Very high86Confident7 Ų757.3 Ų57.35%0.04930%0.302CS..EExtended strand (participates in β ladder)trans-93.6141.1167.8630000110.5H63 I114 E115 E117H63-S82 CarbonylContact O-C 3.16Å; H63-S82 WeakPolarHBondContact O-CA 3.4Å; S82-I114 WeakPolarHBondContact O-CA 3.44Å; S82-E115 PolarHBondContact N-O 2.81Å; S82-E115 PolarHBondContact O-N 2.88Å; S82-E115 PolarHBondContact OG-O 2.68Å; S82-E117 WeakPolarHBondContact CB-OE1 3.49Å
83V95.4Very high84.3Confident0 Ų055.4 Ų55.40%028%0.283CS..EExtended strand (participates in β ladder)trans-125.3125.5176.2-172.90000108.7M35 W48 V62 H63 L65 V85 K113 I114 V400M35-V83 HydrophobicContact CE-CG1 3.67Å; M35-V83 HydrophobicContact SD-CG1 4.43Å; W48-V83 HydrophobicContact CH2-CB 4.22Å; W48-V83 HydrophobicContact CH2-CG1 4.27Å; W48-V83 HydrophobicContact CH2-CG2 4.29Å; W48-V83 HydrophobicContact CZ3-CB 4.12Å; W48-V83 HydrophobicContact CZ3-CG2 4.15Å; V62-V83 WeakPolarHBondContact CA-O 3.45Å; H63-V83 PolarHBondContact N-O 3.14Å; H63-V83 PolarHBondContact O-N 2.7Å; L65-V83 HydrophobicContact CD1-CG2 3.5Å; L65-V83 VanDerWaalsContact CD1-CG2 3.5Å; L65-V83 HydrophobicContact CG-CG2 3.95Å; V83-V85 HydrophobicContact CG1-CG2 4.08Å; V83-K113 WeakPolarHBondContact CA-O 3.27Å; V83-I114 HydrophobicContact CG1-CG1 4.09Å; V83-I114 HydrophobicContact CG2-CG1 4.18Å; V83-V400 HydrophobicContact CG1-CG2 4.23Å
84Q93.6Very high82.5Confident39 Ų3949.8 Ų49.818%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-85112.1169.2-61.5-179-1.500109.2Y60 T61 V62 G112 K113Y60-Q84 HydrophobicContact CD2-CB 3.97Å; Y60-Q84 HydrophobicContact CD2-CG 3.89Å; Y60-Q84 HydrophobicContact CE2-CG 3.98Å; Y60-Q84 HydrophobicContact CG-CB 4.29Å; T61-Q84 CarbonylContact O-C 3.53Å; T61-Q84 VanDerWaalsContact O-CA 3.3Å; T61-Q84 WeakPolarHBondContact O-CA 3.39Å; V62-Q84 HydrophobicContact CG2-CG 4.35Å; Q84-G112 VanDerWaalsContact O-CA 3.23Å; Q84-G112 WeakPolarHBondContact O-CA 3.22Å; Q84-K113 HydrophobicContact CB-CB 4.47Å; Q84-K113 HydrophobicContact CG-CB 4.11Å; Q84-K113 PolarHBondContact N-O 3.41Å
85V89.5Confident79.8Confident4 Ų448.9 Ų48.92%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-101.8127177-176.70000107.6L33 W48 Y60 T61 H63 V83L33-V85 HydrophobicContact CD2-CG1 4.17Å; W48-V85 HydrophobicContact CH2-CG2 4.27Å; Y60-V85 CarbonylContact C-O 3.57Å; Y60-V85 VanDerWaalsContact CA-O 3.24Å; Y60-V85 WeakPolarHBondContact CA-O 3.48Å; Y60-V85 WeakPolarHBondContact CB-O 3.47Å; T61-V85 PolarHBondContact N-O 2.97Å; T61-V85 PolarHBondContact O-N 3.5Å; T61-V85 PolarHBondContact OG1-O 3.22Å; H63-V85 HydrophobicContact CB-CG2 4.46Å; V83-V85 HydrophobicContact CG1-CG2 4.08Å
86P85.3Confident77.2Confident30 Ų3051.9 Ų51.920%0.19528%0.28CS..EExtended strand (participates in β ladder)trans-60.3145.3176.3-21.734.2000111.4L33 A90 V110L33-P86 HydrophobicContact CD1-CG 4.16Å; P86-A90 HydrophobicContact CB-CB 4.21Å; P86-V110 HydrophobicContact CB-CB 4.49Å; P86-V110 HydrophobicContact CG-CB 3.9Å; P86-V110 HydrophobicContact CG-CG1 4.12Å; P86-V110 HydrophobicContact CG-CG2 4.45Å
87N82.3Confident74.9Confident38 Ų3856.7 Ų56.720%0.20330%0.298CS..PPolyproline II helixtrans-77.6159.8170.4-57.8-19.3000110.5K58 D59 Y60 T61 D89 A90K58-N87 PolarHBondContact O-ND2 3.19Å; D59-N87 PolarHBondContact O-N 2.8Å; Y60-N87 VanDerWaalsContact C-OD1 3.23Å; Y60-N87 WeakPolarHBondContact CA-OD1 3.37Å; T61-N87 VanDerWaalsContact CG2-OD1 3.29Å; T61-N87 WeakPolarHBondContact CG2-OD1 3.46Å; T61-N87 PolarHBondContact N-OD1 2.84Å; N87-D89 WeakPolarHBondContact CB-OD1 3.31Å; N87-D89 PolarHBondContact ND2-OD1 3.01Å; N87-D89 PolarHBondContact O-N 2.84Å; N87-D89 VanDerWaalsContact O-N 3.16Å; N87-A90 WeakPolarHBondContact O-CB 3.33Å; N87-A90 PolarHBondContact O-N 3.12Å
88D72.2Confident72Confident149 Ų14959.9 Ų59.980%0.79732%0.315SS*.THydrogen-bonded Turntrans-57.5-29174.5-59-22.5000113.7A90D88-A90 VanDerWaalsContact C-N 3.32Å
89D66.6Low69.2Low127 Ų12765.6 Ų65.668%0.67936%0.355SS*.THydrogen-bonded Turntrans-86.6-0.6179.770-32.6000113.9N87 Q91N87-D89 WeakPolarHBondContact CB-OD1 3.31Å; N87-D89 PolarHBondContact ND2-OD1 3.01Å; N87-D89 PolarHBondContact O-N 2.84Å; N87-D89 VanDerWaalsContact O-N 3.16Å; D89-Q91 PolarHBondContact O-N 2.9Å
90A64.3Low66.2Low22 Ų2273.5 Ų73.518%0.18239%0.392CS..SBendtrans-64123175.200000109.9D59 P86 N87 D88 F92D59-A90 HydrophobicContact CB-CB 4.12Å; P86-A90 HydrophobicContact CB-CB 4.21Å; N87-A90 WeakPolarHBondContact O-CB 3.33Å; N87-A90 PolarHBondContact O-N 3.12Å; D88-A90 VanDerWaalsContact C-N 3.32Å; A90-F92 PolarHBondContact O-N 3.21Å; A90-F92 VanDerWaalsContact O-N 3.15Å
91Q55.8Low63.5Low179 Ų17979.9 Ų79.984%0.83642%0.42SS*.  trans-66.6118.1177.1-75.1-172.3-11.600110.2D89 D93D89-Q91 PolarHBondContact O-N 2.9Å; Q91-D93 PolarHBondContact O-N 3.43Å; Q91-D93 VanDerWaalsContact O-N 3.11Å
92F53.5Low60.6Low108 Ų10883.9 Ų83.947%0.47446%0.461SS..  trans-71.9101.5176.4-166.7-83.8000110.6A90 A94 Y97 F107A90-F92 PolarHBondContact O-N 3.21Å; A90-F92 VanDerWaalsContact O-N 3.15Å; F92-A94 HydrophobicContact CE1-CB 4.33Å; F92-A94 PolarHBondContact O-N 3.02Å; F92-Y97 WeakPolarHBondContact CE1-OH 3.48Å; F92-Y97 WeakPolarHBondContact CZ-OH 3.18Å; F92-F107 HydrophobicContact CE2-CE1 4.19Å; F92-F107 HydrophobicContact CZ-CD1 4.23Å; F92-F107 AromaticContact CZ-CE1 3.66Å; F92-F107 HydrophobicContact CZ-CE1 3.66Å; F92-F107 HydrophobicContact CZ-CZ 4.03Å
93D48.5Very low57.6Low72 Ų7290.8 Ų90.839%0.38549%0.492SS..  trans-88.797.7170.9-162.4-12.5000111.9Q91 S95 S109Q91-D93 PolarHBondContact O-N 3.43Å; Q91-D93 VanDerWaalsContact O-N 3.11Å; D93-S95 PolarHBondContact O-N 3.1Å; D93-S95 VanDerWaalsContact O-N 3.13Å; D93-S95 WeakPolarHBondContact OD1-CA 3.32Å; D93-S95 WeakPolarHBondContact OD1-CB 3.39Å; D93-S95 PolarHBondContact OD1-N 3.08Å; D93-S95 PolarHBondContact OD1-OG 3.36Å; D93-S95 PolarHBondContact OD2-OG 2.9Å; D93-S109 WeakPolarHBondContact CB-OG 3.25Å; D93-S109 WeakPolarHBondContact O-CB 3.44Å
94A46.8Very low54.9Low48 Ų4897.7 Ų97.740%0.39752%0.523SS..G310 helixtrans-59.1-14.7170.300000113.6F92 H96 Y97F92-A94 HydrophobicContact CE1-CB 4.33Å; F92-A94 PolarHBondContact O-N 3.02Å; A94-H96 PolarHBondContact O-N 3.25Å; A94-Y97 HydrophobicContact CB-CD2 3.95Å; A94-Y97 HydrophobicContact CB-CE2 3.39Å; A94-Y97 WeakPolarHBondContact O-CD2 3.2Å; A94-Y97 WeakPolarHBondContact O-CE2 3.33Å; A94-Y97 VanDerWaalsContact O-CG 3.23Å; A94-Y97 PolarHBondContact O-N 3.08Å
95S37.8Very low52.3Low89 Ų8998.1 Ų98.162%0.62254%0.537SS*.G310 helixtrans-73.7-11.5-177.2750000114.4D93 Y97D93-S95 PolarHBondContact O-N 3.1Å; D93-S95 VanDerWaalsContact O-N 3.13Å; D93-S95 WeakPolarHBondContact OD1-CA 3.32Å; D93-S95 WeakPolarHBondContact OD1-CB 3.39Å; D93-S95 PolarHBondContact OD1-N 3.08Å; D93-S95 PolarHBondContact OD1-OG 3.36Å; D93-S95 PolarHBondContact OD2-OG 2.9Å; S95-Y97 VanDerWaalsContact C-N 3.25Å; S95-Y97 PolarHBondContact O-N 2.87Å
96H41.9Very low49.8Very low132 Ų132100 Ų10061%0.61156%0.558SS**G310 helixtrans-8410.4172.4-76.7-59.8000114.3A94 D98A94-H96 PolarHBondContact O-N 3.25Å; H96-D98 PolarHBondContact O-N 2.89Å
97Y49.7Very low47.6Very low111 Ų11199.9 Ų99.944%0.43555%0.554SS.*  trans-65.865165.7-67.8-47.1000111.9F92 A94 S95 S99 F107F92-Y97 WeakPolarHBondContact CE1-OH 3.48Å; F92-Y97 WeakPolarHBondContact CZ-OH 3.18Å; A94-Y97 HydrophobicContact CB-CD2 3.95Å; A94-Y97 HydrophobicContact CB-CE2 3.39Å; A94-Y97 WeakPolarHBondContact O-CD2 3.2Å; A94-Y97 WeakPolarHBondContact O-CE2 3.33Å; A94-Y97 VanDerWaalsContact O-CG 3.23Å; A94-Y97 PolarHBondContact O-N 3.08Å; S95-Y97 VanDerWaalsContact C-N 3.25Å; S95-Y97 PolarHBondContact O-N 2.87Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-S99 PolarHBondContact O-N 3.18Å; Y97-F107 HydrophobicContact CD1-CD2 4.42Å; Y97-F107 HydrophobicContact CD1-CE2 4.23Å; Y97-F107 AromaticContact CE1-CD2 3.57Å; Y97-F107 HydrophobicContact CE1-CD2 3.57Å; Y97-F107 AromaticContact CE1-CE2 3.15Å; Y97-F107 HydrophobicContact CE1-CE2 3.15Å; Y97-F107 HydrophobicContact CE1-CG 4.46Å; Y97-F107 AromaticContact CE1-CZ 3.79Å; Y97-F107 HydrophobicContact CE1-CZ 3.79Å; Y97-F107 AromaticContact CZ-CE2 3.53Å; Y97-F107 AromaticContact CZ-CZ 3.75Å; Y97-F107 WeakPolarHBondContact OH-CE2 3.32Å; Y97-F107 WeakPolarHBondContact OH-CZ 3.19Å
98D37.1Very low45.7Very low90 Ų9099.2 Ų99.248%0.48156%0.556SS.*  trans-83.984.6174.4-151.2-3.9000109.2H96 E100 K101H96-D98 PolarHBondContact O-N 2.89Å; D98-E100 PolarHBondContact O-N 2.8Å; D98-K101 PolarHBondContact O-N 3.04Å
99S40.6Very low44Very low122 Ų12293.8 Ų93.885%0.85353%0.53SS*.THydrogen-bonded Turntrans-61.5-5.617657.50000113.8Y97Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-S99 PolarHBondContact O-N 3.18Å
100E35.3Very low43Very low174 Ų17489.3 Ų89.381%0.81351%0.507SS*.THydrogen-bonded Turntrans-103.2-11.4-176.3-65.6-165.2157.500115.2D98 G102D98-E100 PolarHBondContact O-N 2.8Å; E100-G102 PolarHBondContact O-N 3.41Å
101K41.6Very low42.5Very low137 Ų13793.7 Ų93.760%0.59654%0.537SS*.  trans-88.9101.8173.8-74.1-171.7-179.2-179.90109.7D98 E103D98-K101 PolarHBondContact O-N 3.04Å; K101-E103 PolarHBondContact O-N 3.39Å
102G37.2Very low42.9Very low83 Ų8385.8 Ų85.886%0.85650%0.503SS*.  trans-62.627.4171.800000115.6E100E100-G102 PolarHBondContact O-N 3.41Å
103E35.6Very low44.3Very low153 Ų15385.6 Ų85.672%0.71550%0.502SS*.SBendtrans-88.2138.9162.8-69.2174.8168.900106.7K101 G105K101-E103 PolarHBondContact O-N 3.39Å; E103-G105 VanDerWaalsContact C-N 3.29Å; E103-G105 PolarHBondContact O-N 3.04Å
104F38.5Very low46.2Very low145 Ų14583.1 Ų83.164%0.63649%0.489SS*.  trans-57.687.1-172.5-66.3-94.8000111.4
105G37.6Very low48.4Very low47 Ų4785 Ų8549%0.48549%0.489SS..PPolyproline II helixtrans-81.2118.5-168.100000113E103E103-G105 VanDerWaalsContact C-N 3.29Å; E103-G105 PolarHBondContact O-N 3.04Å
106G37.5Very low51.1Low45 Ų4584.2 Ų84.246%0.46448%0.477SS..PPolyproline II helixtrans-67154.916100000111.7V34V34-G106 CarbonylContact O-C 3.55Å; V34-G106 WeakPolarHBondContact O-CA 3.34Å
107F39.5Very low53.7Low27 Ų2781.6 Ų81.612%0.11847%0.465CS..BIsolated β-bridgetrans-89.2131.9175-173.4-97000108.4P28 V34 F92 Y97P28-F107 HydrophobicContact CB-CD2 4.49Å; P28-F107 HydrophobicContact CB-CE1 4.35Å; P28-F107 HydrophobicContact CB-CE2 3.44Å; P28-F107 VanDerWaalsContact CB-CE2 3.44Å; P28-F107 HydrophobicContact CB-CZ 3.36Å; P28-F107 HydrophobicContact CG-CD2 4.16Å; P28-F107 HydrophobicContact CG-CE2 3.4Å; P28-F107 VanDerWaalsContact CG-CE2 3.4Å; P28-F107 HydrophobicContact CG-CZ 3.91Å; V34-F107 HydrophobicContact CB-CB 4.26Å; V34-F107 PolarHBondContact O-N 2.96Å; F92-F107 HydrophobicContact CE2-CE1 4.19Å; F92-F107 HydrophobicContact CZ-CD1 4.23Å; F92-F107 AromaticContact CZ-CE1 3.66Å; F92-F107 HydrophobicContact CZ-CE1 3.66Å; F92-F107 HydrophobicContact CZ-CZ 4.03Å; Y97-F107 HydrophobicContact CD1-CD2 4.42Å; Y97-F107 HydrophobicContact CD1-CE2 4.23Å; Y97-F107 AromaticContact CE1-CD2 3.57Å; Y97-F107 HydrophobicContact CE1-CD2 3.57Å; Y97-F107 AromaticContact CE1-CE2 3.15Å; Y97-F107 HydrophobicContact CE1-CE2 3.15Å; Y97-F107 HydrophobicContact CE1-CG 4.46Å; Y97-F107 AromaticContact CE1-CZ 3.79Å; Y97-F107 HydrophobicContact CE1-CZ 3.79Å; Y97-F107 AromaticContact CZ-CE2 3.53Å; Y97-F107 AromaticContact CZ-CZ 3.75Å; Y97-F107 WeakPolarHBondContact OH-CE2 3.32Å; Y97-F107 WeakPolarHBondContact OH-CZ 3.19Å
108G41.6Very low56Low24 Ų2477.3 Ų77.325%0.24745%0.45CS..SBendtrans108140.3179.500000114.1V110G108-V110 PolarHBondContact O-N 3.44Å
109S36.1Very low58.9Low35 Ų3575.2 Ų75.225%0.24544%0.436CS..SBendtrans-53.9-9.6-175178.80000117.1D93D93-S109 WeakPolarHBondContact CB-OG 3.25Å; D93-S109 WeakPolarHBondContact O-CB 3.44Å
110V45.6Very low61.7Low33 Ų3369.8 Ų69.820%0.240%0.398CS..SBendtrans-117.197.8-177.7-172.30000105.5P86 G108 G112P86-V110 HydrophobicContact CB-CB 4.49Å; P86-V110 HydrophobicContact CG-CB 3.9Å; P86-V110 HydrophobicContact CG-CG1 4.12Å; P86-V110 HydrophobicContact CG-CG2 4.45Å; G108-V110 PolarHBondContact O-N 3.44Å; V110-G112 PolarHBondContact O-N 3Å
111S55.3Low64.7Low114 Ų11461.9 Ų61.980%0.79736%0.361SS*.  trans-61.591.5165.456.10000107.2K113S111-K113 PolarHBondContact O-N 2.84Å; S111-K113 VanDerWaalsContact O-N 3.11Å
112G62.9Low67.4Low13 Ų1355.4 Ų55.413%0.13433%0.333CS..  trans-54.4122.8176.600000107.4M35 Q84 V110M35-G112 VanDerWaalsContact CE-C 3.42Å; M35-G112 VanDerWaalsContact CE-CA 3.41Å; M35-G112 VanDerWaalsContact CE-O 3.26Å; M35-G112 WeakPolarHBondContact CE-O 3.34Å; Q84-G112 VanDerWaalsContact O-CA 3.23Å; Q84-G112 WeakPolarHBondContact O-CA 3.22Å; V110-G112 PolarHBondContact O-N 3Å
113K83.2Confident70.3Confident103 Ų10354.6 Ų54.645%0.44831%0.307SS..  trans-82.5126.7-175.5-158-175.7-167.3-170.50108.8V83 Q84 S111 E115V83-K113 WeakPolarHBondContact CA-O 3.27Å; Q84-K113 HydrophobicContact CB-CB 4.47Å; Q84-K113 HydrophobicContact CG-CB 4.11Å; Q84-K113 PolarHBondContact N-O 3.41Å; S111-K113 PolarHBondContact O-N 2.84Å; S111-K113 VanDerWaalsContact O-N 3.11Å; K113-E115 HydrophobicContact CD-CG 3.84Å; K113-E115 WeakPolarHBondContact CE-OE1 3.32Å; K113-E115 HydrophobicContact CG-CG 3.91Å; K113-E115 IonicContact NZ-OE1 2.86Å; K113-E115 PolarHBondContact NZ-OE1 2.77Å; K113-E115 IonicContact NZ-OE2 3.37Å
114I88.8Confident73.2Confident21 Ų2148.6 Ų48.611%0.10829%0.286CS..EExtended strand (participates in β ladder)trans-106.3122.1169.9-65.9158.6000107.4M35 H37 S82 V83 M398M35-I114 HydrophobicContact CE-CD1 3.91Å; M35-I114 HydrophobicContact CE-CG1 3.94Å; H37-I114 HydrophobicContact CB-CD1 3.48Å; H37-I114 VanDerWaalsContact CB-CD1 3.48Å; S82-I114 WeakPolarHBondContact O-CA 3.44Å; V83-I114 HydrophobicContact CG1-CG1 4.09Å; V83-I114 HydrophobicContact CG2-CG1 4.18Å; I114-M398 HydrophobicContact CB-CE 4.44Å; I114-M398 HydrophobicContact CD1-CE 3.51Å; I114-M398 HydrophobicContact CG1-CE 4.08Å; I114-M398 HydrophobicContact CG2-CE 3.63Å
115E93.1Very high76.1Confident88 Ų8843.9 Ų43.941%0.41127%0.266SS..EExtended strand (participates in β ladder)trans-130.7140.4178.5-60-167130.100110.5A81 S82 K113 E117A81-E115 CarbonylContact C-O 3.59Å; A81-E115 WeakPolarHBondContact CA-O 3.32Å; S82-E115 PolarHBondContact N-O 2.81Å; S82-E115 PolarHBondContact O-N 2.88Å; S82-E115 PolarHBondContact OG-O 2.68Å; K113-E115 HydrophobicContact CD-CG 3.84Å; K113-E115 WeakPolarHBondContact CE-OE1 3.32Å; K113-E115 HydrophobicContact CG-CG 3.91Å; K113-E115 IonicContact NZ-OE1 2.86Å; K113-E115 PolarHBondContact NZ-OE1 2.77Å; K113-E115 IonicContact NZ-OE2 3.37Å; E115-E117 PolarHBondContact O-N 2.81Å
116I95.3Very high79Confident72 Ų7241.6 Ų41.637%0.36924%0.243SC..EExtended strand (participates in β ladder)trans-82117.1173-54.1-51.3000109V79 A81 K119V79-I116 HydrophobicContact CG1-CD1 3.74Å; V79-I116 HydrophobicContact CG1-CG1 4.44Å; V79-I116 HydrophobicContact CG1-CG2 3.67Å; A81-I116 HydrophobicContact CB-CD1 3.79Å; I116-K119 HydrophobicContact CG2-CD 4.31Å; I116-K119 HydrophobicContact CG2-CG 3.62Å
117E96.4Very high81.9Confident77 Ų7739.6 Ų39.636%0.3622%0.221SC..EExtended strand (participates in β ladder)trans-88.1-46.3-180-64.8-168.8154.800111.9R64 I80 S82 E115 S158R64-E117 WeakPolarHBondContact CD-OE2 3.45Å; R64-E117 IonicContact NH1-OE2 2.76Å; I80-E117 PolarHBondContact O-N 3.11Å; S82-E117 WeakPolarHBondContact CB-OE1 3.49Å; E115-E117 PolarHBondContact O-N 2.81Å; E117-S158 WeakPolarHBondContact O-CB 3.38Å
118I98.1Very high84.7Confident21 Ų2139.3 Ų39.311%0.10822%0.22CC..EExtended strand (participates in β ladder)trans-134.6131.8-174.3-59.6163.5000108.9V79 I80 I120 Y153 S158V79-I118 WeakPolarHBondContact CA-O 3.4Å; I80-I118 HydrophobicContact CB-CB 4.16Å; I80-I118 HydrophobicContact CD1-CB 4.4Å; I80-I118 HydrophobicContact CD1-CD1 3.93Å; I80-I118 PolarHBondContact N-O 2.83Å; I80-I118 PolarHBondContact O-N 3.01Å; I118-I120 HydrophobicContact CG2-CD1 4.17Å; I118-I120 HydrophobicContact CG2-CG1 3.75Å; I118-Y153 HydrophobicContact CD1-CD2 3.66Å; I118-Y153 HydrophobicContact CD1-CE2 4.32Å; I118-Y153 HydrophobicContact CD1-CG 4.37Å; I118-S158 WeakPolarHBondContact CA-O 3.35Å
119K98.1Very high87.4Confident46 Ų4638.2 Ų38.220%0.221%0.208CC..EExtended strand (participates in β ladder)trans-121.8125.2164.5-69.3-171.9174.1-172.90109.1E40 H77 V79 I116 S158 P160E40-K119 IonicContact OE2-NZ 2.66Å; E40-K119 PolarHBondContact OE2-NZ 3.32Å; H77-K119 HydrophobicContact CB-CB 4.38Å; V79-K119 HydrophobicContact CG2-CG 4.31Å; I116-K119 HydrophobicContact CG2-CD 4.31Å; I116-K119 HydrophobicContact CG2-CG 3.62Å; K119-S158 PolarHBondContact N-O 3.06Å; K119-P160 HydrophobicContact CB-CG 4.09Å
120I98.6Very high90.4Very high8 Ų837.7 Ų37.74%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-114.4129.2176.9-53.8175.6000107.9H77 L78 I118 H122 F151 H156H77-I120 CarbonylContact C-O 3.5Å; H77-I120 WeakPolarHBondContact CA-O 3.18Å; L78-I120 HydrophobicContact CB-CB 4.4Å; L78-I120 HydrophobicContact CD2-CD1 4.43Å; L78-I120 PolarHBondContact N-O 2.88Å; L78-I120 PolarHBondContact O-N 2.89Å; I118-I120 HydrophobicContact CG2-CD1 4.17Å; I118-I120 HydrophobicContact CG2-CG1 3.75Å; I120-H122 PolarHBondContact O-N 3.11Å; I120-F151 HydrophobicContact CG2-CD1 3.88Å; I120-F151 HydrophobicContact CG2-CE1 3.91Å; I120-H156 HydrophobicContact CD1-CB 3.8Å; I120-H156 HydrophobicContact CG1-CB 3.91Å
121N98.5Very high93Very high8 Ų838 Ų384%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-56.3133.9175.2-69.9-22.6000110.5P160 D161 G164 E165 C166N121-P160 VanDerWaalsContact OD1-CB 3.24Å; N121-P160 WeakPolarHBondContact OD1-CB 3.35Å; N121-D161 PolarHBondContact ND2-O 3.43Å; N121-G164 WeakPolarHBondContact ND2-CA 3.44Å; N121-E165 WeakPolarHBondContact CB-O 3.3Å; N121-E165 PolarHBondContact ND2-O 3.27Å; N121-C166 PolarHBondContact O-SG 3.23Å; N121-C166 VanDerWaalsContact O-SG 3.41Å
122H98.6Very high95Very high1 Ų133.1 Ų33.11%0.00516%0.163CC..  trans-125.6146.9-179.1-168.7-95000111.3Q75 N76 I120 G124 E125 V126 T141 F151Q75-H122 PolarHBondContact NE2-O 2.89Å; N76-H122 PolarHBondContact O-N 2.8Å; I120-H122 PolarHBondContact O-N 3.11Å; H122-G124 PolarHBondContact ND1-O 3.11Å; H122-G124 PolarHBondContact O-N 2.83Å; H122-E125 PolarHBondContact CE1-O 2.94Å; H122-V126 HydrophobicContact CB-CG2 4.23Å; H122-T141 WeakPolarHBondContact NE2-CB 3.36Å; H122-T141 PolarHBondContact NE2-OG1 2.66Å; H122-F151 AromaticContact CD2-CE2 3.78Å; H122-F151 AromaticContact CD2-CZ 3.9Å
123E96.8Very high96.7Very high65 Ų6535.2 Ų35.230%0.30418%0.175SC..SBendtrans-80.399.5175-86.6160.4-134.900110.3L149 C166 R171E123-L149 HydrophobicContact CB-CD1 4.41Å; E123-C166 HydrophobicContact CB-CB 4.42Å; E123-C166 HydrophobicContact CG-CB 3.63Å; E123-C166 WeakPolarHBondContact OE1-CB 3.46Å; E123-R171 IonicContact OE1-CZ 2.92Å; E123-R171 IonicContact OE1-NH2 3.86Å; E123-R171 PolarHBondContact OE1-NH2 3.23Å; E123-R171 IonicContact OE2-CZ 3.09Å; E123-R171 VanDerWaalsContact OE2-CZ 3.27Å; E123-R171 IonicContact OE2-NH1 3.47Å; E123-R171 PolarHBondContact OE2-NH1 3.43Å; E123-R171 IonicContact OE2-NH2 2.78Å; E123-R171 PolarHBondContact OE2-NH2 3.05Å
124G97.4Very high97.4Very high28 Ų2833.8 Ų33.829%0.28917%0.169SC..SBendtrans73.4-177.2-174.200000112.6N76 H122N76-G124 VanDerWaalsContact CB-C 3.49Å; N76-G124 WeakPolarHBondContact CB-O 3.18Å; H122-G124 PolarHBondContact ND1-O 3.11Å; H122-G124 PolarHBondContact O-N 2.83Å
125E98.3Very high97.8Very high45 Ų4535.9 Ų35.921%0.2118%0.181CC..  trans-62.9157177.863.2-82.7-171.800112.6L44 T69 H70 N76 H122 N127 P144L44-E125 HydrophobicContact CD1-CG 4.21Å; T69-E125 WeakPolarHBondContact O-CA 3.49Å; T69-E125 WeakPolarHBondContact O-CB 3.37Å; H70-E125 HydrophobicContact CB-CB 4.14Å; N76-E125 PolarHBondContact ND2-N 3.42Å; H122-E125 PolarHBondContact CE1-O 2.94Å; E125-N127 WeakPolarHBondContact CG-OD1 3.47Å; E125-N127 PolarHBondContact O-N 3.36Å; E125-P144 HydrophobicContact CG-CG 3.76Å; E125-P144 WeakPolarHBondContact O-CD 3.46Å; E125-P144 WeakPolarHBondContact OE1-CB 3.42Å; E125-P144 WeakPolarHBondContact OE1-CG 3.46Å; E125-P144 VanDerWaalsContact OE2-CG 3.24Å; E125-P144 WeakPolarHBondContact OE2-CG 3.42Å
126V98.8Very high98.1Very high0 Ų033.1 Ų33.10%017%0.171CC..  trans-97.390.6-179.4-176.30000109T45 T69 H122 R128 A129 T141T45-V126 HydrophobicContact CG2-CG1 4.01Å; T69-V126 PolarHBondContact O-N 3.42Å; H122-V126 HydrophobicContact CB-CG2 4.23Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.88Å; V126-A129 HydrophobicContact CG1-CB 3.87Å; V126-T141 HydrophobicContact CG1-CG2 4.04Å
127N98.7Very high98.2Very high2 Ų231.2 Ų31.21%0.01116%0.163CC..SBendtrans-58.8-39-178-68.65.3000112.4E125 K142 E178 G179 Y180E125-N127 WeakPolarHBondContact CG-OD1 3.47Å; E125-N127 PolarHBondContact O-N 3.36Å; N127-K142 HydrophobicContact CB-CB 3.83Å; N127-K142 PolarHBondContact N-O 3.4Å; N127-E178 PolarHBondContact ND2-OE2 2.91Å; N127-G179 PolarHBondContact ND2-O 3Å; N127-Y180 HydrophobicContact CB-CD1 3.82Å; N127-Y180 HydrophobicContact CB-CE1 3.83Å
128R98.9Very high98.3Very high22 Ų2228.6 Ų28.68%0.08315%0.151CC..EExtended strand (participates in β ladder)trans-157.3138.3173.7-167.5165.4-68.3171.53.6110.4V126 R130 T141 K142 Y180 L182 D231V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.88Å; R128-R130 HydrophobicContact CG-CG 4.2Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 VanDerWaalsContact O-CA 3.26Å; R128-T141 WeakPolarHBondContact O-CA 3.49Å; R128-K142 HydrophobicContact CB-CB 4.4Å; R128-K142 HydrophobicContact CB-CG 4.23Å; R128-K142 PolarHBondContact O-N 3.02Å; R128-Y180 WeakPolarHBondContact CB-O 3.47Å; R128-Y180 WeakPolarHBondContact CD-O 3.19Å; R128-Y180 PolarHBondContact NE-O 3.07Å; R128-Y180 PolarHBondContact NH1-O 2.94Å; R128-L182 HydrophobicContact CG-CB 4.31Å; R128-D231 IonicContact NH1-OD1 2.84Å; R128-D231 PolarHBondContact NH1-OD1 3.22Å; R128-D231 IonicContact NH1-OD2 2.77Å
129A98.9Very high98.4Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-125130.8173.500000110.6T45 V66 L78 V126 I139 A140 T141T45-A129 HydrophobicContact CG2-CB 3.76Å; T45-A129 PolarHBondContact OG1-N 2.94Å; V66-A129 HydrophobicContact CG1-CB 3.62Å; L78-A129 HydrophobicContact CD1-CB 3.94Å; V126-A129 HydrophobicContact CG1-CB 3.87Å; A129-I139 HydrophobicContact CB-CG2 4.12Å; A129-A140 WeakPolarHBondContact CA-O 3.16Å; A129-T141 HydrophobicContact CB-CG2 3.98Å
130R98.9Very high98.4Very high25 Ų2525.4 Ų25.49%0.09414%0.137CC..EExtended strand (participates in β ladder)trans-137.6131.5-180-62.3-66.2179-106.19.5112.1T45 Q47 R128 I139 A140 L182 W184 D378T45-R130 PolarHBondContact OG1-NH1 3.42Å; Q47-R130 VanDerWaalsContact OE1-CA 3.25Å; R128-R130 HydrophobicContact CG-CG 4.2Å; R130-I139 WeakPolarHBondContact O-CA 3.22Å; R130-A140 PolarHBondContact N-O 2.93Å; R130-A140 PolarHBondContact O-N 2.95Å; R130-L182 HydrophobicContact CB-CD2 4.13Å; R130-L182 HydrophobicContact CG-CB 4.45Å; R130-L182 HydrophobicContact CG-CD2 4.18Å; R130-W184 PolarHBondContact O-NE1 3Å; R130-D378 IonicContact CZ-OD2 2.7Å; R130-D378 IonicContact NH1-OD2 3.32Å; R130-D378 PolarHBondContact NH1-OD2 3.23Å; R130-D378 VanDerWaalsContact NH1-OD2 3.1Å; R130-D378 IonicContact NH2-OD1 2.73Å; R130-D378 PolarHBondContact NH2-OD1 3.39Å; R130-D378 IonicContact NH2-OD2 3.84Å; R130-D378 PolarHBondContact NH2-OD2 3.24Å
131Y98.8Very high98.4Very high39 Ų3925 Ų2515%0.15314%0.135CC..EExtended strand (participates in β ladder)trans-77.7149174.876.6-94.5000111.5Q47 W48 L49 P50 P133 P136 I138 W184Q47-Y131 VanDerWaalsContact CD-CE1 3.49Å; Q47-Y131 HydrophobicContact CG-CD1 4.08Å; Q47-Y131 HydrophobicContact CG-CE1 3.99Å; W48-Y131 VanDerWaalsContact O-CE1 3.22Å; W48-Y131 WeakPolarHBondContact O-CE1 3.43Å; L49-Y131 HydrophobicContact CD2-CD1 4.02Å; L49-Y131 HydrophobicContact CD2-CG 4.03Å; P50-Y131 HydrophobicContact CG-CE2 3.88Å; Y131-P133 WeakPolarHBondContact O-CD 3.19Å; Y131-P136 HydrophobicContact CD2-CB 3.8Å; Y131-P136 HydrophobicContact CD2-CG 4.08Å; Y131-P136 HydrophobicContact CE2-CB 4.37Å; Y131-P136 HydrophobicContact CE2-CG 4.26Å; Y131-P136 HydrophobicContact CG-CB 4.36Å; Y131-I138 CarbonylContact C-O 2.97Å; Y131-I138 WeakPolarHBondContact CA-O 3.4Å; Y131-W184 VanDerWaalsContact C-CD1 3.44Å
132M98.6Very high98.4Very high12 Ų1224.8 Ų24.86%0.05913%0.133CC..EExtended strand (participates in β ladder)trans-78.8120.6173.8-176.6174.367.800110Q134 N135 I138 W184 G190M132-Q134 VanDerWaalsContact C-N 3.27Å; M132-Q134 PolarHBondContact O-N 3.07Å; M132-Q134 VanDerWaalsContact O-N 3.12Å; M132-N135 HydrophobicContact CE-CB 3.58Å; M132-N135 CarbonylContact O-C 3.56Å; M132-N135 PolarHBondContact O-N 3.1Å; M132-N135 VanDerWaalsContact O-O 3.09Å; M132-I138 HydrophobicContact CB-CB 4.13Å; M132-I138 HydrophobicContact CB-CG2 4.47Å; M132-I138 HydrophobicContact CE-CB 4.13Å; M132-I138 HydrophobicContact CE-CG1 3.94Å; M132-I138 PolarHBondContact N-O 3.31Å; M132-W184 HydrophobicContact CB-CD2 3.8Å; M132-W184 HydrophobicContact CB-CE3 4.13Å; M132-W184 HydrophobicContact CB-CG 4.19Å; M132-W184 HydrophobicContact CB-CH2 4.48Å; M132-W184 HydrophobicContact CB-CZ2 4.13Å; M132-W184 HydrophobicContact CB-CZ3 4.47Å; M132-W184 HydrophobicContact CG-CD2 3.93Å; M132-W184 HydrophobicContact CG-CE3 3.81Å; M132-W184 HydrophobicContact CG-CG 4.4Å; M132-W184 HydrophobicContact CG-CZ3 4.2Å; M132-W184 HydrophobicContact SD-CE3 4.03Å; M132-W184 HydrophobicContact SD-CH2 4.32Å; M132-W184 HydrophobicContact SD-CZ3 3.86Å; M132-G190 PolarHBondContact SD-N 3.18Å; M132-G190 VanDerWaalsContact SD-N 3.42Å
133P98.2Very high98.4Very high57 Ų5724.8 Ų24.837%0.3713%0.133SC..THydrogen-bonded Turntrans-56.1-35.7-173.6-29.636.4000115.3Y131 N135 W184 P186Y131-P133 WeakPolarHBondContact O-CD 3.19Å; P133-N135 VanDerWaalsContact C-N 3.35Å; P133-W184 VanDerWaalsContact CD-CB 3.5Å; P133-W184 HydrophobicContact CG-CB 4.38Å; P133-P186 HydrophobicContact CG-CB 4.47Å
134Q98Very high98.5Very high73 Ų7323.4 Ų23.434%0.34113%0.13SC..THydrogen-bonded Turntrans-79.2-17.9-178.5-52.586.4-400113.4M132 N185 P186M132-Q134 VanDerWaalsContact C-N 3.27Å; M132-Q134 PolarHBondContact O-N 3.07Å; M132-Q134 VanDerWaalsContact O-N 3.12Å; Q134-N185 PolarHBondContact NE2-O 3.3Å; Q134-P186 PolarHBondContact NE2-O 3.45Å
135N97.8Very high98.5Very high64 Ų6425.1 Ų25.134%0.34214%0.135SC..EExtended strand (participates in β ladder)trans-151.593.1170.6-178.93.5000109.4M132 P133 C137 I138M132-N135 HydrophobicContact CE-CB 3.58Å; M132-N135 CarbonylContact O-C 3.56Å; M132-N135 PolarHBondContact O-N 3.1Å; M132-N135 VanDerWaalsContact O-O 3.09Å; P133-N135 VanDerWaalsContact C-N 3.35Å; N135-C137 PolarHBondContact O-N 3.36Å; N135-C137 VanDerWaalsContact OD1-CB 3.32Å; N135-C137 WeakPolarHBondContact OD1-CB 3.5Å; N135-C137 PolarHBondContact OD1-N 2.89Å; N135-C137 PolarHBondContact OD1-SG 2.75Å; N135-I138 HydrophobicContact CB-CG1 4.3Å; N135-I138 PolarHBondContact O-N 3.08Å
136P98.3Very high98.5Very high31 Ų3124.7 Ų24.720%0.20114%0.137CC..EExtended strand (participates in β ladder)trans-63.2-8.2-176.2-24.534.8000115.1L49 P50 Y131 I138 Y153L49-P136 HydrophobicContact CD2-CB 4.29Å; P50-P136 HydrophobicContact CG-CB 3.89Å; P50-P136 HydrophobicContact CG-CG 3.48Å; P50-P136 VanDerWaalsContact CG-CG 3.48Å; Y131-P136 HydrophobicContact CD2-CB 3.8Å; Y131-P136 HydrophobicContact CD2-CG 4.08Å; Y131-P136 HydrophobicContact CE2-CB 4.37Å; Y131-P136 HydrophobicContact CE2-CG 4.26Å; Y131-P136 HydrophobicContact CG-CB 4.36Å; P136-I138 PolarHBondContact O-N 3.42Å; P136-Y153 WeakPolarHBondContact O-CE1 3.34Å
137C98.1Very high98.4Very high31 Ų3125.5 Ų25.521%0.20914%0.141CC..EExtended strand (participates in β ladder)trans-67.1-25.7171.3-58.20000112.8N135 D152 Y153 T154N135-C137 PolarHBondContact O-N 3.36Å; N135-C137 VanDerWaalsContact OD1-CB 3.32Å; N135-C137 WeakPolarHBondContact OD1-CB 3.5Å; N135-C137 PolarHBondContact OD1-N 2.89Å; N135-C137 PolarHBondContact OD1-SG 2.75Å; C137-D152 WeakPolarHBondContact O-CA 3.17Å; C137-Y153 HydrophobicContact CB-CE1 4.3Å; C137-Y153 WeakPolarHBondContact O-CD1 3.43Å; C137-Y153 PolarHBondContact O-N 2.99Å; C137-T154 HydrophobicContact CB-CG2 3.97Å
138I98.5Very high98.4Very high22 Ų2225.4 Ų25.411%0.11314%0.141CC..EExtended strand (participates in β ladder)trans-91.2120.9-177.9-51.9-55.7000109.2Y131 M132 N135 P136 V150 F151 D152 W184 I206Y131-I138 CarbonylContact C-O 2.97Å; Y131-I138 WeakPolarHBondContact CA-O 3.4Å; M132-I138 HydrophobicContact CB-CB 4.13Å; M132-I138 HydrophobicContact CB-CG2 4.47Å; M132-I138 HydrophobicContact CE-CB 4.13Å; M132-I138 HydrophobicContact CE-CG1 3.94Å; M132-I138 PolarHBondContact N-O 3.31Å; N135-I138 HydrophobicContact CB-CG1 4.3Å; N135-I138 PolarHBondContact O-N 3.08Å; P136-I138 PolarHBondContact O-N 3.42Å; I138-V150 HydrophobicContact CG2-CG1 3.43Å; I138-V150 VanDerWaalsContact CG2-CG1 3.43Å; I138-F151 CarbonylContact C-O 3.56Å; I138-F151 WeakPolarHBondContact CA-O 3.32Å; I138-D152 HydrophobicContact CD1-CB 3.59Å; I138-W184 HydrophobicContact CG2-CH2 4.43Å; I138-W184 HydrophobicContact CG2-CZ2 4.27Å; I138-I206 HydrophobicContact CG2-CD1 4.38Å
139I98.9Very high98.4Very high0 Ų024.4 Ų24.40%014%0.137CC..EExtended strand (participates in β ladder)trans-121.8125.8179.7-60.1173.1000108.5V66 L78 I80 A129 R130 T141 V150 F151 Y153V66-I139 HydrophobicContact CG1-CD1 4Å; V66-I139 HydrophobicContact CG1-CG2 4.1Å; V66-I139 HydrophobicContact CG2-CD1 3.76Å; V66-I139 HydrophobicContact CG2-CG1 4.49Å; L78-I139 HydrophobicContact CD1-CG2 4.17Å; L78-I139 HydrophobicContact CD2-CB 4.3Å; L78-I139 HydrophobicContact CD2-CD1 4.47Å; L78-I139 HydrophobicContact CD2-CG2 4.06Å; I80-I139 HydrophobicContact CD1-CD1 4.17Å; I80-I139 HydrophobicContact CG1-CD1 4.43Å; A129-I139 HydrophobicContact CB-CG2 4.12Å; R130-I139 WeakPolarHBondContact O-CA 3.22Å; I139-T141 HydrophobicContact CG2-CG2 4.25Å; I139-V150 CarbonylContact O-C 3.59Å; I139-V150 WeakPolarHBondContact O-CA 3.44Å; I139-F151 PolarHBondContact N-O 2.82Å; I139-F151 PolarHBondContact O-N 3.19Å; I139-Y153 HydrophobicContact CD1-CD1 3.75Å; I139-Y153 HydrophobicContact CD1-CE1 4.3Å; I139-Y153 HydrophobicContact CG1-CD1 4.32Å
140A98.9Very high98.4Very high0 Ų024.5 Ų24.50%014%0.138CC..EExtended strand (participates in β ladder)trans-93.3144.4167.600000110.2A129 R130 L149 V150 L182 W184 L192A129-A140 WeakPolarHBondContact CA-O 3.16Å; R130-A140 PolarHBondContact N-O 2.93Å; R130-A140 PolarHBondContact O-N 2.95Å; A140-L149 CarbonylContact C-O 3.54Å; A140-L149 VanDerWaalsContact CA-O 3.25Å; A140-L149 WeakPolarHBondContact CA-O 3.4Å; A140-V150 HydrophobicContact CB-CG2 4.34Å; A140-L182 HydrophobicContact CB-CD1 4.46Å; A140-L182 HydrophobicContact CB-CD2 3.98Å; A140-L182 WeakPolarHBondContact O-CD2 3.32Å; A140-W184 HydrophobicContact CB-CZ2 3.55Å; A140-L192 HydrophobicContact CB-CD1 4.27Å; A140-L192 HydrophobicContact CB-CD2 3.61Å
141T98.9Very high98.4Very high0 Ų023.4 Ų23.40%013%0.134CC..EExtended strand (participates in β ladder)trans-129.9143.1177.263.70000112.1L78 H122 V126 R128 A129 I139 V148 L149 F151L78-T141 HydrophobicContact CD1-CG2 3.98Å; L78-T141 HydrophobicContact CD2-CG2 4.1Å; H122-T141 WeakPolarHBondContact NE2-CB 3.36Å; H122-T141 PolarHBondContact NE2-OG1 2.66Å; V126-T141 HydrophobicContact CG1-CG2 4.04Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 VanDerWaalsContact O-CA 3.26Å; R128-T141 WeakPolarHBondContact O-CA 3.49Å; A129-T141 HydrophobicContact CB-CG2 3.98Å; I139-T141 HydrophobicContact CG2-CG2 4.25Å; T141-V148 WeakPolarHBondContact O-CG1 3.46Å; T141-L149 PolarHBondContact N-O 3.11Å; T141-L149 PolarHBondContact O-N 2.8Å; T141-F151 HydrophobicContact CG2-CD2 4.25Å; T141-F151 HydrophobicContact CG2-CE2 4.27Å
142K98.9Very high98.3Very high4 Ų422.1 Ų22.12%0.01713%0.13CC..EExtended strand (participates in β ladder)trans-86.9139.5166-67.6-70.7-68.1-177.60109.4N127 R128 V148 G179 L182 S194 A195N127-K142 HydrophobicContact CB-CB 3.83Å; N127-K142 PolarHBondContact N-O 3.4Å; R128-K142 HydrophobicContact CB-CB 4.4Å; R128-K142 HydrophobicContact CB-CG 4.23Å; R128-K142 PolarHBondContact O-N 3.02Å; K142-V148 HydrophobicContact CD-CG2 4.01Å; K142-G179 WeakPolarHBondContact CB-O 3.5Å; K142-G179 WeakPolarHBondContact CE-O 3.44Å; K142-L182 HydrophobicContact CD-CD1 4.05Å; K142-L182 HydrophobicContact CG-CB 4.17Å; K142-L182 HydrophobicContact CG-CD1 4.19Å; K142-L182 HydrophobicContact CG-CD2 4.29Å; K142-L182 HydrophobicContact CG-CG 4.46Å; K142-S194 PolarHBondContact NZ-OG 2.83Å; K142-A195 PolarHBondContact NZ-O 3.33Å
143T98.6Very high98.3Very high0 Ų022.4 Ų22.40%013%0.13CC..  trans-113168179730000110.1T145 D147 L149 E178T143-T145 PolarHBondContact O-N 3.05Å; T143-T145 VanDerWaalsContact O-N 3.09Å; T143-T145 PolarHBondContact OG1-N 3.45Å; T143-T145 VanDerWaalsContact OG1-N 3.13Å; T143-T145 PolarHBondContact OG1-O 2.95Å; T143-T145 PolarHBondContact OG1-OG1 2.9Å; T143-D147 WeakPolarHBondContact CG2-O 3.27Å; T143-D147 PolarHBondContact OG1-O 2.91Å; T143-L149 HydrophobicContact CG2-CD1 3.72Å; T143-L149 HydrophobicContact CG2-CG 3.64Å; T143-E178 WeakPolarHBondContact O-CB 3.44Å
144P97.7Very high98.2Very high37 Ų3723.9 Ų23.924%0.2414%0.138CC..SBendtrans-74.18.9171.2-13.432.4000112.7E125E125-P144 HydrophobicContact CG-CG 3.76Å; E125-P144 WeakPolarHBondContact O-CD 3.46Å; E125-P144 WeakPolarHBondContact OE1-CB 3.42Å; E125-P144 WeakPolarHBondContact OE1-CG 3.46Å; E125-P144 VanDerWaalsContact OE2-CG 3.24Å; E125-P144 WeakPolarHBondContact OE2-CG 3.42Å
145T97.5Very high98.2Very high64 Ų6426.8 Ų26.839%0.39315%0.15SC..SBendtrans-119.1-177.9176.977.20000109.6T143 D147 E178T143-T145 PolarHBondContact O-N 3.05Å; T143-T145 VanDerWaalsContact O-N 3.09Å; T143-T145 PolarHBondContact OG1-N 3.45Å; T143-T145 VanDerWaalsContact OG1-N 3.13Å; T143-T145 PolarHBondContact OG1-O 2.95Å; T143-T145 PolarHBondContact OG1-OG1 2.9Å; T145-D147 PolarHBondContact O-N 3.18Å; T145-D147 PolarHBondContact OG1-N 3.22Å; T145-E178 WeakPolarHBondContact O-CA 3.28Å
146S97.9Very high98.1Very high36 Ų3625.5 Ų25.525%0.25214%0.142SC..SBendtrans-72.2-12.4177.763.70000115.2H175 K177S146-H175 WeakPolarHBondContact CB-O 3.23Å; S146-K177 WeakPolarHBondContact CA-O 3.44Å
147D98.2Very high98Very high17 Ų1728.2 Ų28.29%0.09116%0.159CC..  trans-85.2138.6-174.4-69.9-14.4000110.7T143 T145 L149 R171T143-D147 WeakPolarHBondContact CG2-O 3.27Å; T143-D147 PolarHBondContact OG1-O 2.91Å; T145-D147 PolarHBondContact O-N 3.18Å; T145-D147 PolarHBondContact OG1-N 3.22Å; D147-L149 HydrophobicContact CB-CD2 4.26Å; D147-R171 HydrophobicContact CB-CG 4.13Å; D147-R171 WeakPolarHBondContact OD2-CD 3.4Å; D147-R171 IonicContact OD2-CZ 3.95Å; D147-R171 IonicContact OD2-NE 3.1Å; D147-R171 IonicContact OD2-NH1 3.96Å; D147-R171 PolarHBondContact OD2-NH1 3.22Å
148V98.8Very high97.9Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-102.1128.7166.7179.90000107.4T141 K142 L172 L182 L192 W204T141-V148 WeakPolarHBondContact O-CG1 3.46Å; K142-V148 HydrophobicContact CD-CG2 4.01Å; V148-L172 HydrophobicContact CB-CB 4.12Å; V148-L172 HydrophobicContact CB-CD1 4.36Å; V148-L172 HydrophobicContact CG1-CD1 4.09Å; V148-L172 PolarHBondContact N-O 2.88Å; V148-L172 VanDerWaalsContact N-O 3.11Å; V148-L172 WeakPolarHBondContact O-CB 3.28Å; V148-L172 PolarHBondContact O-N 3.18Å; V148-L182 HydrophobicContact CG1-CD1 4.09Å; V148-L192 HydrophobicContact CG1-CD2 4.14Å; V148-W204 HydrophobicContact CB-CH2 4.43Å; V148-W204 HydrophobicContact CG2-CH2 3.82Å; V148-W204 HydrophobicContact CG2-CZ3 4.32Å
149L98.8Very high97.8Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-104148.9-176.4-54.2-175.6000110.3E123 A140 T141 T143 D147 F151 P168 R171E123-L149 HydrophobicContact CB-CD1 4.41Å; A140-L149 CarbonylContact C-O 3.54Å; A140-L149 VanDerWaalsContact CA-O 3.25Å; A140-L149 WeakPolarHBondContact CA-O 3.4Å; T141-L149 PolarHBondContact N-O 3.11Å; T141-L149 PolarHBondContact O-N 2.8Å; T143-L149 HydrophobicContact CG2-CD1 3.72Å; T143-L149 HydrophobicContact CG2-CG 3.64Å; D147-L149 HydrophobicContact CB-CD2 4.26Å; L149-F151 HydrophobicContact CB-CD2 4.38Å; L149-F151 HydrophobicContact CB-CE2 3.56Å; L149-F151 HydrophobicContact CB-CZ 4.03Å; L149-F151 HydrophobicContact CD1-CE2 4.2Å; L149-F151 HydrophobicContact CD1-CZ 3.97Å; L149-P168 HydrophobicContact CB-CB 4.07Å; L149-P168 HydrophobicContact CD1-CB 4.43Å; L149-P168 HydrophobicContact CD1-CG 4.47Å; L149-P168 HydrophobicContact CD2-CB 4.2Å; L149-P168 HydrophobicContact CD2-CG 4.02Å; L149-P168 HydrophobicContact CG-CB 4.46Å; L149-R171 HydrophobicContact CD2-CB 4.31Å; L149-R171 HydrophobicContact CD2-CG 4Å
150V98.6Very high97.6Very high3 Ų339.1 Ų39.12%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-126.5131.8174.2-175.50000108.8I138 I139 A140 D169 L170 L172 I206I138-V150 HydrophobicContact CG2-CG1 3.43Å; I138-V150 VanDerWaalsContact CG2-CG1 3.43Å; I139-V150 CarbonylContact O-C 3.59Å; I139-V150 WeakPolarHBondContact O-CA 3.44Å; A140-V150 HydrophobicContact CB-CG2 4.34Å; V150-D169 WeakPolarHBondContact O-CA 3.27Å; V150-D169 WeakPolarHBondContact O-CB 3.35Å; V150-D169 PolarHBondContact O-N 3.45Å; V150-L170 HydrophobicContact CB-CB 4.02Å; V150-L170 HydrophobicContact CG2-CB 4.31Å; V150-L170 PolarHBondContact N-O 3.43Å; V150-L170 PolarHBondContact O-N 2.7Å; V150-L170 VanDerWaalsContact O-N 3.12Å; V150-L172 HydrophobicContact CG2-CD1 3.72Å; V150-L172 HydrophobicContact CG2-CD2 4.15Å; V150-L172 HydrophobicContact CG2-CG 3.92Å; V150-I206 HydrophobicContact CG1-CD1 4.39Å
151F98.5Very high97.3Very high1 Ų143.4 Ų43.40%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-122.7139.4-179.9-61.2-90.7000110.2L78 I120 H122 I138 I139 T141 L149 P168 D169L78-F151 HydrophobicContact CD2-CB 4.05Å; L78-F151 HydrophobicContact CD2-CD2 3.84Å; L78-F151 HydrophobicContact CD2-CG 4.02Å; I120-F151 HydrophobicContact CG2-CD1 3.88Å; I120-F151 HydrophobicContact CG2-CE1 3.91Å; H122-F151 AromaticContact CD2-CE2 3.78Å; H122-F151 AromaticContact CD2-CZ 3.9Å; I138-F151 CarbonylContact C-O 3.56Å; I138-F151 WeakPolarHBondContact CA-O 3.32Å; I139-F151 PolarHBondContact N-O 2.82Å; I139-F151 PolarHBondContact O-N 3.19Å; T141-F151 HydrophobicContact CG2-CD2 4.25Å; T141-F151 HydrophobicContact CG2-CE2 4.27Å; L149-F151 HydrophobicContact CB-CD2 4.38Å; L149-F151 HydrophobicContact CB-CE2 3.56Å; L149-F151 HydrophobicContact CB-CZ 4.03Å; L149-F151 HydrophobicContact CD1-CE2 4.2Å; L149-F151 HydrophobicContact CD1-CZ 3.97Å; F151-P168 HydrophobicContact CD1-CB 4.48Å; F151-P168 HydrophobicContact CE1-CB 3.93Å; F151-P168 HydrophobicContact CZ-CB 3.96Å; F151-D169 WeakPolarHBondContact CA-OD2 3.34Å
152D97.8Very high97Very high13 Ų1349.9 Ų49.97%0.0728%0.28CS..EExtended strand (participates in β ladder)trans-102.998.8160.9-178.2-18.6000107.7C137 I138 T154 K155 H156 D169C137-D152 WeakPolarHBondContact O-CA 3.17Å; I138-D152 HydrophobicContact CD1-CB 3.59Å; D152-T154 PolarHBondContact O-N 2.82Å; D152-T154 WeakPolarHBondContact OD1-CB 3.44Å; D152-T154 PolarHBondContact OD1-N 2.78Å; D152-T154 PolarHBondContact OD1-OG1 2.89Å; D152-K155 HydrophobicContact CB-CB 4.43Å; D152-K155 HydrophobicContact CB-CD 4.01Å; D152-K155 HydrophobicContact CB-CG 4.05Å; D152-K155 WeakPolarHBondContact O-CB 3.47Å; D152-K155 PolarHBondContact O-N 2.84Å; D152-K155 VanDerWaalsContact OD2-CE 3.27Å; D152-K155 WeakPolarHBondContact OD2-CE 3.33Å; D152-K155 IonicContact OD2-NZ 3.55Å; D152-K155 PolarHBondContact OD2-NZ 2.93Å; D152-H156 PolarHBondContact O-CD2 3.45Å; D152-H156 VanDerWaalsContact O-CD2 3.22Å; D152-D169 PolarHBondContact N-OD2 3.25Å
153Y97.5Very high96.8Very high17 Ų1753.3 Ų53.37%0.06731%0.305CS..G310 helixtrans-61.4-18.6-170.666.8-109000113.5L49 R64 I80 I118 P136 C137 I139 K155 H156L49-Y153 HydrophobicContact CD1-CE1 4.39Å; R64-Y153 PolarHBondContact NH1-OH 2.84Å; R64-Y153 PolarHBondContact NH2-OH 2.98Å; I80-Y153 VanDerWaalsContact CD1-CB 3.45Å; I80-Y153 HydrophobicContact CD1-CD1 3.29Å; I80-Y153 HydrophobicContact CD1-CD2 3.65Å; I80-Y153 HydrophobicContact CD1-CE1 3.8Å; I80-Y153 HydrophobicContact CD1-CE2 4.2Å; I80-Y153 HydrophobicContact CD1-CG 3.19Å; I118-Y153 HydrophobicContact CD1-CD2 3.66Å; I118-Y153 HydrophobicContact CD1-CE2 4.32Å; I118-Y153 HydrophobicContact CD1-CG 4.37Å; P136-Y153 WeakPolarHBondContact O-CE1 3.34Å; C137-Y153 HydrophobicContact CB-CE1 4.3Å; C137-Y153 WeakPolarHBondContact O-CD1 3.43Å; C137-Y153 PolarHBondContact O-N 2.99Å; I139-Y153 HydrophobicContact CD1-CD1 3.75Å; I139-Y153 HydrophobicContact CD1-CE1 4.3Å; I139-Y153 HydrophobicContact CG1-CD1 4.32Å; Y153-K155 VanDerWaalsContact C-N 3.26Å; Y153-K155 PolarHBondContact O-N 2.95Å; Y153-H156 PolarHBondContact O-N 3.02Å
154T96.9Very high96.6Very high88 Ų8854.2 Ų54.254%0.5432%0.315SS..G310 helixtrans-74.3-17.617772.10000113.1C137 D152C137-T154 HydrophobicContact CB-CG2 3.97Å; D152-T154 PolarHBondContact O-N 2.82Å; D152-T154 WeakPolarHBondContact OD1-CB 3.44Å; D152-T154 PolarHBondContact OD1-N 2.78Å; D152-T154 PolarHBondContact OD1-OG1 2.89Å
155K96.6Very high96.4Very high135 Ų13558.9 Ų58.959%0.58733%0.333SS*.G310 helixtrans-91.4-3.9176.7-62.2-173.8-177.91160113.3D152 Y153D152-K155 HydrophobicContact CB-CB 4.43Å; D152-K155 HydrophobicContact CB-CD 4.01Å; D152-K155 HydrophobicContact CB-CG 4.05Å; D152-K155 WeakPolarHBondContact O-CB 3.47Å; D152-K155 PolarHBondContact O-N 2.84Å; D152-K155 VanDerWaalsContact OD2-CE 3.27Å; D152-K155 WeakPolarHBondContact OD2-CE 3.33Å; D152-K155 IonicContact OD2-NZ 3.55Å; D152-K155 PolarHBondContact OD2-NZ 2.93Å; Y153-K155 VanDerWaalsContact C-N 3.26Å; Y153-K155 PolarHBondContact O-N 2.95Å
156H95.9Very high96.4Very high37 Ų3756.5 Ų56.517%0.17132%0.319CS..SBendtrans-106.7147.3178.7-67.4-80.5000110.7I120 D152 Y153 S167 D169I120-H156 HydrophobicContact CD1-CB 3.8Å; I120-H156 HydrophobicContact CG1-CB 3.91Å; D152-H156 PolarHBondContact O-CD2 3.45Å; D152-H156 VanDerWaalsContact O-CD2 3.22Å; Y153-H156 PolarHBondContact O-N 3.02Å; H156-S167 PolarHBondContact CE1-O 2.99Å; H156-D169 IonicContact CD2-OD2 3.58Å; H156-D169 IonicContact NE2-OD2 3.27Å; H156-D169 PolarHBondContact NE2-OD2 3.42Å
157P96.3Very high96.3Very high87 Ų8757.5 Ų57.557%0.56533%0.326SS*.  trans-63.9151.4170.728.8-34.3000110.5K159P157-K159 WeakPolarHBondContact CG-O 3.42Å; P157-K159 PolarHBondContact O-N 2.86Å
158S95.7Very high96.2Very high72 Ų7257.2 Ų57.250%0.50333%0.325SS..SBendtrans-65-28.2176.853.20000113.4E117 I118 K119E117-S158 WeakPolarHBondContact O-CB 3.38Å; I118-S158 WeakPolarHBondContact CA-O 3.35Å; K119-S158 PolarHBondContact N-O 3.06Å
159K96.1Very high96.1Very high166 Ų16658.9 Ų58.972%0.72233%0.334SS*.SBendtrans-101.7136.4174.2-64.7-173.6-179.7-174.90109.9P157P157-K159 WeakPolarHBondContact CG-O 3.42Å; P157-K159 PolarHBondContact O-N 2.86Å
160P95.2Very high96.1Very high44 Ų4460 Ų6029%0.28634%0.34SS..PPolyproline II helixtrans-70.1155.6-176.426.7-29.3000111.3K119 N121K119-P160 HydrophobicContact CB-CG 4.09Å; N121-P160 VanDerWaalsContact OD1-CB 3.24Å; N121-P160 WeakPolarHBondContact OD1-CB 3.35Å
161D92.2Very high96Very high90 Ų9062.1 Ų62.148%0.48135%0.347SS..PPolyproline II helixtrans-68.5126.6175.2-168.9-53.1000109.7N121 S163 G164N121-D161 PolarHBondContact ND2-O 3.43Å; D161-S163 PolarHBondContact O-N 2.75Å; D161-S163 VanDerWaalsContact OD1-CB 3.22Å; D161-S163 WeakPolarHBondContact OD1-CB 3.33Å; D161-S163 PolarHBondContact OD1-N 2.83Å; D161-S163 PolarHBondContact OD1-OG 2.97Å; D161-G164 PolarHBondContact O-N 3.27Å
162P93.8Very high96Very high136 Ų13662.1 Ų62.188%0.88335%0.347SS*.THydrogen-bonded Turntrans-60.1-15.8179.2-23.433.7000115.2G164P162-G164 PolarHBondContact O-N 3.47Å
163S94.3Very high96Very high77 Ų7765.2 Ų65.254%0.53836%0.36SS..THydrogen-bonded Turntrans-68.9-19.1174.4620000113.6D161 E165D161-S163 PolarHBondContact O-N 2.75Å; D161-S163 VanDerWaalsContact OD1-CB 3.22Å; D161-S163 WeakPolarHBondContact OD1-CB 3.33Å; D161-S163 PolarHBondContact OD1-N 2.83Å; D161-S163 PolarHBondContact OD1-OG 2.97Å; S163-E165 PolarHBondContact O-N 2.83Å; S163-E165 PolarHBondContact OG-N 3.42Å
164G93.6Very high96Very high19 Ų1965.4 Ų65.420%0.19637%0.367CS..  trans75.23.3-172.100000113.8Q75 N121 D161 P162 C166Q75-G164 PolarHBondContact OE1-O 3.24Å; Q75-G164 VanDerWaalsContact OE1-O 3.05Å; N121-G164 WeakPolarHBondContact ND2-CA 3.44Å; D161-G164 PolarHBondContact O-N 3.27Å; P162-G164 PolarHBondContact O-N 3.47Å; G164-C166 PolarHBondContact O-N 3.46Å
165E95.3Very high96.1Very high135 Ų13561.4 Ų61.463%0.63134%0.343SS*.  trans-66.1124.9-179.6-171.2173.5-176.300110.8N121 S163N121-E165 WeakPolarHBondContact CB-O 3.3Å; N121-E165 PolarHBondContact ND2-O 3.27Å; S163-E165 PolarHBondContact O-N 2.83Å; S163-E165 PolarHBondContact OG-N 3.42Å
166C96.6Very high96.2Very high14 Ų1462.3 Ų62.310%0.09535%0.349CS..  trans-85.5125173178.10000109.4N121 E123 G164 P168N121-C166 PolarHBondContact O-SG 3.23Å; N121-C166 VanDerWaalsContact O-SG 3.41Å; E123-C166 HydrophobicContact CB-CB 4.42Å; E123-C166 HydrophobicContact CG-CB 3.63Å; E123-C166 WeakPolarHBondContact OE1-CB 3.46Å; G164-C166 PolarHBondContact O-N 3.46Å; C166-P168 WeakPolarHBondContact O-CD 3.36Å
167S95.7Very high96.3Very high56 Ų5665.5 Ų65.539%0.39236%0.362SS..  trans-12568.1-175-77.50000111.7H156H156-S167 PolarHBondContact CE1-O 2.99Å
168P97.1Very high96.4Very high11 Ų1164 Ų647%0.07135%0.348CS..  trans-60.6152.6-178.629.3-36.3000111.5L149 F151 C166 K214L149-P168 HydrophobicContact CB-CB 4.07Å; L149-P168 HydrophobicContact CD1-CB 4.43Å; L149-P168 HydrophobicContact CD1-CG 4.47Å; L149-P168 HydrophobicContact CD2-CB 4.2Å; L149-P168 HydrophobicContact CD2-CG 4.02Å; L149-P168 HydrophobicContact CG-CB 4.46Å; F151-P168 HydrophobicContact CD1-CB 4.48Å; F151-P168 HydrophobicContact CE1-CB 3.93Å; F151-P168 HydrophobicContact CZ-CB 3.96Å; C166-P168 WeakPolarHBondContact O-CD 3.36Å; P168-K214 VanDerWaalsContact O-CD 3.32Å; P168-K214 WeakPolarHBondContact O-CD 3.4Å; P168-K214 PolarHBondContact O-NZ 3.24Å
169D96.5Very high96.6Very high36 Ų3660.6 Ų60.619%0.19332%0.324CS..SBendtrans-74.6-38.8175.1-70.7-83.1000110.8V150 F151 D152 H156 K214V150-D169 WeakPolarHBondContact O-CA 3.27Å; V150-D169 WeakPolarHBondContact O-CB 3.35Å; V150-D169 PolarHBondContact O-N 3.45Å; F151-D169 WeakPolarHBondContact CA-OD2 3.34Å; D152-D169 PolarHBondContact N-OD2 3.25Å; H156-D169 IonicContact CD2-OD2 3.58Å; H156-D169 IonicContact NE2-OD2 3.27Å; H156-D169 PolarHBondContact NE2-OD2 3.42Å; D169-K214 WeakPolarHBondContact O-CD 3.25Å; D169-K214 WeakPolarHBondContact O-CG 3.43Å
170L97.7Very high96.7Very high24 Ų2456.8 Ų56.813%0.12631%0.305CS..EExtended strand (participates in β ladder)trans-134.9147.8168.7-54.5168.4000111V150 L172 I206 P210 K214 V216V150-L170 HydrophobicContact CB-CB 4.02Å; V150-L170 HydrophobicContact CG2-CB 4.31Å; V150-L170 PolarHBondContact N-O 3.43Å; V150-L170 PolarHBondContact O-N 2.7Å; V150-L170 VanDerWaalsContact O-N 3.12Å; L170-L172 HydrophobicContact CB-CD2 4.05Å; L170-I206 HydrophobicContact CD1-CB 3.82Å; L170-I206 HydrophobicContact CD1-CD1 4.19Å; L170-I206 HydrophobicContact CD1-CG2 3.96Å; L170-P210 HydrophobicContact CD2-CB 4.49Å; L170-P210 HydrophobicContact CD2-CG 3.94Å; L170-K214 CarbonylContact C-O 3.59Å; L170-K214 WeakPolarHBondContact CA-O 3.25Å; L170-V216 HydrophobicContact CD2-CG2 4.26Å
171R97.6Very high96.9Very high47 Ų4754.7 Ų54.718%0.17729%0.292CS..EExtended strand (participates in β ladder)trans-117.1112.6170.4-177.8176.1-69.5-98.7-1.3108.5E123 D147 L149 K214 I215 V216E123-R171 IonicContact OE1-CZ 2.92Å; E123-R171 IonicContact OE1-NH2 3.86Å; E123-R171 PolarHBondContact OE1-NH2 3.23Å; E123-R171 IonicContact OE2-CZ 3.09Å; E123-R171 VanDerWaalsContact OE2-CZ 3.27Å; E123-R171 IonicContact OE2-NH1 3.47Å; E123-R171 PolarHBondContact OE2-NH1 3.43Å; E123-R171 IonicContact OE2-NH2 2.78Å; E123-R171 PolarHBondContact OE2-NH2 3.05Å; D147-R171 HydrophobicContact CB-CG 4.13Å; D147-R171 WeakPolarHBondContact OD2-CD 3.4Å; D147-R171 IonicContact OD2-CZ 3.95Å; D147-R171 IonicContact OD2-NE 3.1Å; D147-R171 IonicContact OD2-NH1 3.96Å; D147-R171 PolarHBondContact OD2-NH1 3.22Å; L149-R171 HydrophobicContact CD2-CB 4.31Å; L149-R171 HydrophobicContact CD2-CG 4Å; R171-K214 PolarHBondContact N-O 3.45Å; R171-I215 VanDerWaalsContact O-CA 3.31Å; R171-I215 WeakPolarHBondContact O-CA 3.35Å; R171-V216 PolarHBondContact O-N 2.89Å
172L98.2Very high97.2Very high0 Ų050.7 Ų50.70%027%0.271CS..EExtended strand (participates in β ladder)trans-94.9124.3-177-41.1-179.2000109.2V148 V150 L170 L192 W204 I206 V216V148-L172 HydrophobicContact CB-CB 4.12Å; V148-L172 HydrophobicContact CB-CD1 4.36Å; V148-L172 HydrophobicContact CG1-CD1 4.09Å; V148-L172 PolarHBondContact N-O 2.88Å; V148-L172 VanDerWaalsContact N-O 3.11Å; V148-L172 WeakPolarHBondContact O-CB 3.28Å; V148-L172 PolarHBondContact O-N 3.18Å; V150-L172 HydrophobicContact CG2-CD1 3.72Å; V150-L172 HydrophobicContact CG2-CD2 4.15Å; V150-L172 HydrophobicContact CG2-CG 3.92Å; L170-L172 HydrophobicContact CB-CD2 4.05Å; L172-L192 HydrophobicContact CD1-CD2 3.6Å; L172-W204 HydrophobicContact CB-CD2 3.9Å; L172-W204 HydrophobicContact CB-CG 4.03Å; L172-W204 HydrophobicContact CB-CZ2 4.08Å; L172-W204 HydrophobicContact CD1-CB 4.27Å; L172-W204 HydrophobicContact CD1-CD2 4.01Å; L172-W204 HydrophobicContact CD1-CE3 4.16Å; L172-W204 HydrophobicContact CD1-CG 4.06Å; L172-W204 HydrophobicContact CG-CG 4.46Å; L172-I206 HydrophobicContact CD1-CG2 4.25Å; L172-I206 HydrophobicContact CD2-CG2 3.67Å; L172-V216 CarbonylContact C-O 3.57Å; L172-V216 VanDerWaalsContact CA-O 3.3Å; L172-V216 WeakPolarHBondContact CA-O 3.21Å; L172-V216 HydrophobicContact CD2-CB 3.73Å; L172-V216 HydrophobicContact CD2-CG1 4.47Å; L172-V216 HydrophobicContact CD2-CG2 4.04Å
173K97.4Very high97.4Very high79 Ų7945.1 Ų45.134%0.34324%0.235SC..EExtended strand (participates in β ladder)trans-113.4146.5-177.2-65.6-160169.8-162.40111.4W204 I215 V216 D217 A218K173-W204 PolarHBondContact O-NE1 3.15Å; K173-I215 HydrophobicContact CD-CG2 4.04Å; K173-I215 HydrophobicContact CG-CG2 4.05Å; K173-V216 PolarHBondContact N-O 3.02Å; K173-D217 CarbonylContact O-C 3.48Å; K173-D217 WeakPolarHBondContact O-CA 3.36Å; K173-A218 PolarHBondContact O-N 2.61Å
174G97.9Very high97.6Very high21 Ų2142 Ų4222%0.21621%0.211CC..  trans167.6-41.6177.800000112.6
175H98.7Very high97.9Very high4 Ų441.1 Ų41.12%0.01920%0.202CC..  trans-73.7170177-68.3-62.6000113S146 S194 S196 D198 T200 C202 W204S146-H175 WeakPolarHBondContact CB-O 3.23Å; H175-S194 PolarHBondContact CD2-OG 3.08Å; H175-S194 WeakPolarHBondContact NE2-CB 3.28Å; H175-S194 PolarHBondContact NE2-O 2.99Å; H175-S194 PolarHBondContact NE2-OG 3.16Å; H175-S196 WeakPolarHBondContact CE1-CB 3.48Å; H175-S196 WeakPolarHBondContact ND1-CB 3.27Å; H175-D198 WeakPolarHBondContact CA-OD2 3.46Å; H175-D198 VanDerWaalsContact CB-OD2 3.26Å; H175-D198 WeakPolarHBondContact CB-OD2 3.49Å; H175-D198 IonicContact CG-OD2 2.82Å; H175-D198 IonicContact ND1-OD1 3.79Å; H175-D198 PolarHBondContact ND1-OD1 2.86Å; H175-D198 IonicContact ND1-OD2 3.52Å; H175-D198 PolarHBondContact ND1-OD2 3.01Å; H175-T200 PolarHBondContact CE1-O 3.4Å; H175-T200 PolarHBondContact ND1-OG1 3.47Å; H175-C202 VanDerWaalsContact CE1-SG 3.59Å; H175-W204 AromaticContact CD2-CH2 3.79Å; H175-W204 AromaticContact NE2-CH2 3.84Å
176Q98.5Very high98Very high153 Ų15336.6 Ų36.672%0.71518%0.184SC*.SBendtrans-120.5-10.9175.1-57.5-56.4-39.600113.3D198Q176-D198 HydrophobicContact CB-CB 4.11Å; Q176-D198 PolarHBondContact N-OD2 2.86Å
177K98.8Very high98.1Very high105 Ų10539.3 Ų39.346%0.45720%0.198SC..SBendtrans-141.3173.7177-64.9-175.7-171.9167.90110S146 S196 D197 D198S146-K177 WeakPolarHBondContact CA-O 3.44Å; K177-S196 PolarHBondContact O-OG 3.24Å; K177-D197 HydrophobicContact CB-CB 3.94Å; K177-D197 HydrophobicContact CD-CB 3.74Å; K177-D197 PolarHBondContact NZ-O 3.41Å; K177-D197 VanDerWaalsContact NZ-O 3.16Å; K177-D198 HydrophobicContact CB-CB 4.26Å; K177-D198 HydrophobicContact CG-CB 4.32Å
178E98.6Very high98.2Very high56 Ų5639.4 Ų39.426%0.26219%0.193SC..  trans-66.5-175172.969.8178130.500113.1N127 T143 T145 S196 D197N127-E178 PolarHBondContact ND2-OE2 2.91Å; T143-E178 WeakPolarHBondContact O-CB 3.44Å; T145-E178 WeakPolarHBondContact O-CA 3.28Å; E178-S196 VanDerWaalsContact O-CA 3.31Å; E178-S196 WeakPolarHBondContact O-CA 3.37Å; E178-S196 VanDerWaalsContact O-CB 3.3Å; E178-S196 WeakPolarHBondContact O-CB 3.33Å; E178-S196 PolarHBondContact O-OG 2.73Å; E178-D197 PolarHBondContact O-N 2.91Å; E178-D197 VanDerWaalsContact O-N 3.09Å
179G98.5Very high98.2Very high0 Ų042.1 Ų42.10%021%0.213CC..  trans174.2-175.2169.600000111.7N127 K142N127-G179 PolarHBondContact ND2-O 3Å; K142-G179 WeakPolarHBondContact CB-O 3.5Å; K142-G179 WeakPolarHBondContact CE-O 3.44Å
180Y98.7Very high98.2Very high85 Ų8540.5 Ų40.533%0.33320%0.204SC..  trans-119.2-43-174.6-65.3-90.9000113.3N127 R128 L182N127-Y180 HydrophobicContact CB-CD1 3.82Å; N127-Y180 HydrophobicContact CB-CE1 3.83Å; R128-Y180 WeakPolarHBondContact CB-O 3.47Å; R128-Y180 WeakPolarHBondContact CD-O 3.19Å; R128-Y180 PolarHBondContact NE-O 3.07Å; R128-Y180 PolarHBondContact NH1-O 2.94Å; Y180-L182 PolarHBondContact O-N 2.95Å
181G98.7Very high98.3Very high0 Ų040 Ų400%020%0.202CC..  trans-54129.1-178.700000114.1S194 A195 E230 D231G181-S194 VanDerWaalsContact O-CA 3.31Å; G181-S194 WeakPolarHBondContact O-CA 3.29Å; G181-A195 PolarHBondContact O-N 3.47Å; G181-E230 WeakPolarHBondContact CA-O 3.34Å; G181-E230 PolarHBondContact N-O 3.47Å; G181-D231 WeakPolarHBondContact CA-OD1 3.43Å
182L98.9Very high98.3Very high7 Ų737.7 Ų37.74%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-156.3121.3-177.2-165.870.9000110.4R128 R130 A140 K142 V148 Y180 L192 L193R128-L182 HydrophobicContact CG-CB 4.31Å; R130-L182 HydrophobicContact CB-CD2 4.13Å; R130-L182 HydrophobicContact CG-CB 4.45Å; R130-L182 HydrophobicContact CG-CD2 4.18Å; A140-L182 HydrophobicContact CB-CD1 4.46Å; A140-L182 HydrophobicContact CB-CD2 3.98Å; A140-L182 WeakPolarHBondContact O-CD2 3.32Å; K142-L182 HydrophobicContact CD-CD1 4.05Å; K142-L182 HydrophobicContact CG-CB 4.17Å; K142-L182 HydrophobicContact CG-CD1 4.19Å; K142-L182 HydrophobicContact CG-CD2 4.29Å; K142-L182 HydrophobicContact CG-CG 4.46Å; V148-L182 HydrophobicContact CG1-CD1 4.09Å; Y180-L182 PolarHBondContact O-N 2.95Å; L182-L192 HydrophobicContact CD1-CD1 3.8Å; L182-L192 HydrophobicContact CD1-CD2 4.12Å; L182-L192 HydrophobicContact CD1-CG 4.17Å; L182-L192 HydrophobicContact CG-CD1 4.07Å; L182-L193 WeakPolarHBondContact CA-O 3.49Å
183S98.9Very high98.4Very high18 Ų1837.7 Ų37.713%0.12619%0.193CC..EExtended strand (participates in β ladder)trans-147.3123.5-177.3-174.30000113.2L193 V232 W234S183-L193 PolarHBondContact N-O 2.83Å; S183-L193 PolarHBondContact O-N 2.86Å; S183-V232 WeakPolarHBondContact CB-O 3.17Å; S183-W234 PolarHBondContact O-NE1 3.1Å; S183-W234 VanDerWaalsContact O-NE1 3.14Å; S183-W234 PolarHBondContact OG-N 3.46Å; S183-W234 VanDerWaalsContact OG-N 3.12Å
184W98.9Very high98.5Very high13 Ų1334 Ų345%0.04918%0.177CC..EExtended strand (participates in β ladder)trans-81.6138170.9-72.2104000110.8R130 Y131 M132 P133 I138 A140 P186 L192 I206R130-W184 PolarHBondContact O-NE1 3Å; Y131-W184 VanDerWaalsContact C-CD1 3.44Å; M132-W184 HydrophobicContact CB-CD2 3.8Å; M132-W184 HydrophobicContact CB-CE3 4.13Å; M132-W184 HydrophobicContact CB-CG 4.19Å; M132-W184 HydrophobicContact CB-CH2 4.48Å; M132-W184 HydrophobicContact CB-CZ2 4.13Å; M132-W184 HydrophobicContact CB-CZ3 4.47Å; M132-W184 HydrophobicContact CG-CD2 3.93Å; M132-W184 HydrophobicContact CG-CE3 3.81Å; M132-W184 HydrophobicContact CG-CG 4.4Å; M132-W184 HydrophobicContact CG-CZ3 4.2Å; M132-W184 HydrophobicContact SD-CE3 4.03Å; M132-W184 HydrophobicContact SD-CH2 4.32Å; M132-W184 HydrophobicContact SD-CZ3 3.86Å; P133-W184 VanDerWaalsContact CD-CB 3.5Å; P133-W184 HydrophobicContact CG-CB 4.38Å; I138-W184 HydrophobicContact CG2-CH2 4.43Å; I138-W184 HydrophobicContact CG2-CZ2 4.27Å; A140-W184 HydrophobicContact CB-CZ2 3.55Å; W184-P186 WeakPolarHBondContact O-CD 3.32Å; W184-L192 HydrophobicContact CD2-CB 4.37Å; W184-L192 HydrophobicContact CD2-CD1 3.72Å; W184-L192 HydrophobicContact CE3-CB 3.86Å; W184-L192 HydrophobicContact CE3-CD1 4.1Å; W184-L192 HydrophobicContact CE3-CG 4.5Å; W184-L192 HydrophobicContact CG-CD1 3.99Å; W184-L192 HydrophobicContact CH2-CB 4.17Å; W184-L192 HydrophobicContact CH2-CD2 4.15Å; W184-L192 HydrophobicContact CZ2-CD1 4.26Å; W184-L192 HydrophobicContact CZ2-CD2 4.18Å; W184-L192 HydrophobicContact CZ3-CB 3.74Å; W184-L192 HydrophobicContact CZ3-CD1 4.49Å; W184-L192 HydrophobicContact CZ3-CG 4.49Å; W184-I206 HydrophobicContact CH2-CD1 3.54Å; W184-I206 HydrophobicContact CH2-CG1 4.1Å; W184-I206 HydrophobicContact CZ3-CD1 3.93Å; W184-I206 HydrophobicContact CZ3-CG1 4.04Å
185N98.8Very high98.5Very high0 Ų033 Ų330%017%0.167CC..  trans-73.3119.7173.3-167.8-44.9000109Q134 N187 L188 N191 W234 E239Q134-N185 PolarHBondContact NE2-O 3.3Å; N185-N187 VanDerWaalsContact C-N 3.27Å; N185-N187 PolarHBondContact O-N 3.1Å; N185-N187 WeakPolarHBondContact OD1-CA 3.2Å; N185-N187 WeakPolarHBondContact OD1-CB 3.39Å; N185-N187 PolarHBondContact OD1-N 2.98Å; N185-L188 HydrophobicContact CB-CB 4.27Å; N185-L188 PolarHBondContact OD1-N 2.91Å; N185-N191 HydrophobicContact CB-CB 3.84Å; N185-N191 PolarHBondContact N-O 2.74Å; N185-W234 VanDerWaalsContact CA-CD1 3.44Å; N185-W234 HydrophobicContact CB-CD2 3.79Å; N185-W234 HydrophobicContact CB-CE3 4.45Å; N185-W234 HydrophobicContact CB-CG 3.91Å; N185-W234 HydrophobicContact CB-CZ2 4.08Å; N185-W234 WeakPolarHBondContact ND2-CH2 3.48Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.27Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.49Å; N185-E239 PolarHBondContact ND2-O 3.14Å
186P98.2Very high98.5Very high40 Ų4032.8 Ų32.826%0.2617%0.166SC..SBendtrans-73.1-19.4179.928.9-33.6000113P133 Q134 W184 L236P133-P186 HydrophobicContact CG-CB 4.47Å; Q134-P186 PolarHBondContact NE2-O 3.45Å; W184-P186 WeakPolarHBondContact O-CD 3.32Å; P186-L236 HydrophobicContact CG-CD2 4.11Å
187N98.3Very high98.5Very high71 Ų7127.3 Ų27.338%0.3814%0.141SC..SBendtrans-97.8-25.1-177.1-60.6-63000113.2N185 L236 L237 E239N185-N187 VanDerWaalsContact C-N 3.27Å; N185-N187 PolarHBondContact O-N 3.1Å; N185-N187 WeakPolarHBondContact OD1-CA 3.2Å; N185-N187 WeakPolarHBondContact OD1-CB 3.39Å; N185-N187 PolarHBondContact OD1-N 2.98Å; N187-L236 PolarHBondContact ND2-O 3.4Å; N187-L237 PolarHBondContact ND2-O 2.91Å; N187-E239 HydrophobicContact CB-CB 3.71Å
188L97.8Very high98.5Very high57 Ų5723.3 Ų23.330%0.29813%0.125SC..SBendtrans-121.1104.7178.6-67.1174.1000111N185 G190 N191 E239N185-L188 HydrophobicContact CB-CB 4.27Å; N185-L188 PolarHBondContact OD1-N 2.91Å; L188-G190 PolarHBondContact O-N 2.66Å; L188-N191 HydrophobicContact CB-CB 4.15Å; L188-N191 PolarHBondContact O-N 2.83Å; L188-E239 HydrophobicContact CD1-CB 3.99Å; L188-E239 HydrophobicContact CD1-CG 4.23Å; L188-E239 WeakPolarHBondContact CD2-OE2 3.45Å; L188-E239 HydrophobicContact CG-CB 3.99Å
189S97.4Very high98.5Very high69 Ų6924 Ų2448%0.48313%0.128SC..THydrogen-bonded Turntrans-55137.5179.2-172.70000111.7N191S189-N191 PolarHBondContact O-N 3.26Å; S189-N191 PolarHBondContact O-ND2 2.94Å
190G96.8Very high98.5Very high1 Ų125.1 Ų25.11%0.0114%0.135CC..THydrogen-bonded Turntrans74.91.6177.100000115.5M132 L188 D205 I206M132-G190 PolarHBondContact SD-N 3.18Å; M132-G190 VanDerWaalsContact SD-N 3.42Å; L188-G190 PolarHBondContact O-N 2.66Å; G190-D205 WeakPolarHBondContact O-CA 3.45Å; G190-I206 VanDerWaalsContact CA-CG1 3.48Å; G190-I206 VanDerWaalsContact O-CG1 3.31Å; G190-I206 WeakPolarHBondContact O-CG1 3.19Å; G190-I206 PolarHBondContact O-N 3.37Å
191N98.5Very high98.6Very high13 Ų1321.1 Ų21.17%0.0712%0.119CC..EExtended strand (participates in β ladder)trans-89.8117.7176.1-75.6-111.5000109.8N185 L188 S189 L203 W204 W234N185-N191 HydrophobicContact CB-CB 3.84Å; N185-N191 PolarHBondContact N-O 2.74Å; L188-N191 HydrophobicContact CB-CB 4.15Å; L188-N191 PolarHBondContact O-N 2.83Å; S189-N191 PolarHBondContact O-N 3.26Å; S189-N191 PolarHBondContact O-ND2 2.94Å; N191-L203 HydrophobicContact CB-CD1 4.4Å; N191-W204 WeakPolarHBondContact CA-O 3.18Å; N191-W234 HydrophobicContact CB-CZ2 4.41Å
192L98.8Very high98.6Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-124.6130.8-174.9179.465.3000110.2A140 V148 L172 L182 W184 L203 W204A140-L192 HydrophobicContact CB-CD1 4.27Å; A140-L192 HydrophobicContact CB-CD2 3.61Å; V148-L192 HydrophobicContact CG1-CD2 4.14Å; L172-L192 HydrophobicContact CD1-CD2 3.6Å; L182-L192 HydrophobicContact CD1-CD1 3.8Å; L182-L192 HydrophobicContact CD1-CD2 4.12Å; L182-L192 HydrophobicContact CD1-CG 4.17Å; L182-L192 HydrophobicContact CG-CD1 4.07Å; W184-L192 HydrophobicContact CD2-CB 4.37Å; W184-L192 HydrophobicContact CD2-CD1 3.72Å; W184-L192 HydrophobicContact CE3-CB 3.86Å; W184-L192 HydrophobicContact CE3-CD1 4.1Å; W184-L192 HydrophobicContact CE3-CG 4.5Å; W184-L192 HydrophobicContact CG-CD1 3.99Å; W184-L192 HydrophobicContact CH2-CB 4.17Å; W184-L192 HydrophobicContact CH2-CD2 4.15Å; W184-L192 HydrophobicContact CZ2-CD1 4.26Å; W184-L192 HydrophobicContact CZ2-CD2 4.18Å; W184-L192 HydrophobicContact CZ3-CB 3.74Å; W184-L192 HydrophobicContact CZ3-CD1 4.49Å; W184-L192 HydrophobicContact CZ3-CG 4.49Å; L192-L203 WeakPolarHBondContact O-CA 3.24Å; L192-L203 WeakPolarHBondContact O-CD1 3.41Å; L192-W204 PolarHBondContact N-O 3.4Å; L192-W204 PolarHBondContact O-N 3.38Å
193L98.9Very high98.6Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans-100.2146.1168.2-70.3169.4000110.6L182 S183 I201 C202 L203 F222 V232 W234 F242L182-L193 WeakPolarHBondContact CA-O 3.49Å; S183-L193 PolarHBondContact N-O 2.83Å; S183-L193 PolarHBondContact O-N 2.86Å; L193-I201 HydrophobicContact CD2-CG2 3.91Å; L193-C202 WeakPolarHBondContact CA-O 3.36Å; L193-L203 HydrophobicContact CD2-CB 3.94Å; L193-L203 HydrophobicContact CD2-CD1 4.04Å; L193-L203 HydrophobicContact CG-CD1 4.46Å; L193-F222 HydrophobicContact CD2-CE2 4.46Å; L193-V232 HydrophobicContact CB-CB 4.31Å; L193-V232 HydrophobicContact CB-CG2 3.9Å; L193-W234 HydrophobicContact CD1-CD2 3.63Å; L193-W234 HydrophobicContact CD1-CE3 4.26Å; L193-W234 HydrophobicContact CD1-CG 4Å; L193-W234 HydrophobicContact CD1-CH2 4.29Å; L193-W234 HydrophobicContact CD1-CZ2 3.69Å; L193-W234 HydrophobicContact CD2-CZ2 4.09Å; L193-W234 HydrophobicContact CG-CD2 4.33Å; L193-W234 VanDerWaalsContact CG-CE2 3.46Å; L193-W234 HydrophobicContact CG-CH2 4.45Å; L193-W234 HydrophobicContact CG-CZ2 3.57Å; L193-F242 HydrophobicContact CD1-CB 3.52Å; L193-F242 HydrophobicContact CD1-CD1 3.94Å; L193-F242 HydrophobicContact CD1-CD2 3.58Å; L193-F242 HydrophobicContact CD1-CE2 4.2Å; L193-F242 HydrophobicContact CD1-CG 3.42Å; L193-F242 VanDerWaalsContact CD1-CG 3.42Å; L193-F242 HydrophobicContact CD2-CE1 4.39Å; L193-F242 HydrophobicContact CD2-CE2 4.34Å; L193-F242 HydrophobicContact CD2-CZ 4.27Å
194S98.9Very high98.5Very high0 Ų020.1 Ų20.10%011%0.113CC..EExtended strand (participates in β ladder)trans-137.4139.4171.6167.10000110.7K142 H175 G181 I201 C202K142-S194 PolarHBondContact NZ-OG 2.83Å; H175-S194 PolarHBondContact CD2-OG 3.08Å; H175-S194 WeakPolarHBondContact NE2-CB 3.28Å; H175-S194 PolarHBondContact NE2-O 2.99Å; H175-S194 PolarHBondContact NE2-OG 3.16Å; G181-S194 VanDerWaalsContact O-CA 3.31Å; G181-S194 WeakPolarHBondContact O-CA 3.29Å; S194-I201 CarbonylContact O-C 3.57Å; S194-I201 VanDerWaalsContact O-CA 3.28Å; S194-I201 WeakPolarHBondContact O-CA 3.36Å; S194-C202 PolarHBondContact N-O 3.35Å; S194-C202 PolarHBondContact O-N 2.99Å
195A98.9Very high98.4Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-101.8155.2171.600000111.1K142 G181 V229 V232K142-A195 PolarHBondContact NZ-O 3.33Å; G181-A195 PolarHBondContact O-N 3.47Å; A195-V229 HydrophobicContact CB-CB 3.94Å; A195-V229 HydrophobicContact CB-CG1 3.73Å; A195-V229 WeakPolarHBondContact CB-O 3.42Å; A195-V232 HydrophobicContact CB-CB 4.49Å; A195-V232 HydrophobicContact CB-CG1 3.85Å; A195-V232 HydrophobicContact CB-CG2 4.05Å
196S98.9Very high98.2Very high0 Ų022.2 Ų22.20%013%0.125CC..  trans-155.5155.5-176.3177.50000113.9H175 K177 E178 D198 H199 T200 V229H175-S196 WeakPolarHBondContact CE1-CB 3.48Å; H175-S196 WeakPolarHBondContact ND1-CB 3.27Å; K177-S196 PolarHBondContact O-OG 3.24Å; E178-S196 VanDerWaalsContact O-CA 3.31Å; E178-S196 WeakPolarHBondContact O-CA 3.37Å; E178-S196 VanDerWaalsContact O-CB 3.3Å; E178-S196 WeakPolarHBondContact O-CB 3.33Å; E178-S196 PolarHBondContact O-OG 2.73Å; S196-D198 WeakPolarHBondContact CB-OD1 3.36Å; S196-D198 PolarHBondContact O-N 2.8Å; S196-D198 VanDerWaalsContact O-N 3.12Å; S196-D198 VanDerWaalsContact OG-CG 3.29Å; S196-D198 PolarHBondContact OG-N 3.43Å; S196-D198 PolarHBondContact OG-OD1 2.83Å; S196-H199 PolarHBondContact O-N 2.94Å; S196-H199 VanDerWaalsContact O-N 3.11Å; S196-T200 PolarHBondContact N-O 2.93Å; S196-V229 PolarHBondContact N-O 2.71Å; S196-V229 PolarHBondContact O-N 3.18Å; S196-V229 VanDerWaalsContact O-N 3.16Å
197D98.8Very high97.7Very high38 Ų3823.3 Ų23.320%0.20314%0.143CC..THydrogen-bonded Turntrans-62-8.9170.1-59.126.6000114.3K177 E178 H199 V228K177-D197 HydrophobicContact CB-CB 3.94Å; K177-D197 HydrophobicContact CD-CB 3.74Å; K177-D197 PolarHBondContact NZ-O 3.41Å; K177-D197 VanDerWaalsContact NZ-O 3.16Å; E178-D197 PolarHBondContact O-N 2.91Å; E178-D197 VanDerWaalsContact O-N 3.09Å; D197-H199 PolarHBondContact O-CD2 2.9Å; D197-H199 PolarHBondContact O-N 2.91Å; D197-V228 HydrophobicContact CB-CG1 4.28Å; D197-V228 HydrophobicContact CB-CG2 4.19Å
198D98.7Very high96.6Very high21 Ų2125.2 Ų25.211%0.11216%0.157CC..THydrogen-bonded Turntrans-8310.1171.272.811.9000113.6H175 Q176 K177 S196 T200H175-D198 WeakPolarHBondContact CA-OD2 3.46Å; H175-D198 VanDerWaalsContact CB-OD2 3.26Å; H175-D198 WeakPolarHBondContact CB-OD2 3.49Å; H175-D198 IonicContact CG-OD2 2.82Å; H175-D198 IonicContact ND1-OD1 3.79Å; H175-D198 PolarHBondContact ND1-OD1 2.86Å; H175-D198 IonicContact ND1-OD2 3.52Å; H175-D198 PolarHBondContact ND1-OD2 3.01Å; Q176-D198 HydrophobicContact CB-CB 4.11Å; Q176-D198 PolarHBondContact N-OD2 2.86Å; K177-D198 HydrophobicContact CB-CB 4.26Å; K177-D198 HydrophobicContact CG-CB 4.32Å; S196-D198 WeakPolarHBondContact CB-OD1 3.36Å; S196-D198 PolarHBondContact O-N 2.8Å; S196-D198 VanDerWaalsContact O-N 3.12Å; S196-D198 VanDerWaalsContact OG-CG 3.29Å; S196-D198 PolarHBondContact OG-N 3.43Å; S196-D198 PolarHBondContact OG-OD1 2.83Å; D198-T200 VanDerWaalsContact CG-OG1 3.29Å; D198-T200 PolarHBondContact O-N 3.28Å; D198-T200 WeakPolarHBondContact OD1-CA 3.46Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.39Å; D198-T200 PolarHBondContact OD1-N 3.12Å; D198-T200 PolarHBondContact OD1-OG1 3.07Å; D198-T200 PolarHBondContact OD2-OG1 2.59Å
199H98.8Very high95.3Very high72 Ų7223.7 Ų23.733%0.33316%0.155SC..SBendtrans70.69.6177.3-44.1-112.9000113.7S196 D197 T226 A227S196-H199 PolarHBondContact O-N 2.94Å; S196-H199 VanDerWaalsContact O-N 3.11Å; D197-H199 PolarHBondContact O-CD2 2.9Å; D197-H199 PolarHBondContact O-N 2.91Å; H199-T226 VanDerWaalsContact ND1-C 3.27Å; H199-T226 PolarHBondContact ND1-O 2.84Å; H199-T226 VanDerWaalsContact ND1-O 3.08Å; H199-A227 WeakPolarHBondContact CA-O 3.42Å; H199-A227 WeakPolarHBondContact CB-O 3.44Å; H199-A227 WeakPolarHBondContact ND1-CA 3.25Å; H199-A227 PolarHBondContact ND1-N 2.9Å; H199-A227 PolarHBondContact ND1-O 3.19Å
200T98.9Very high94.2Very high22 Ų2222.9 Ų22.914%0.13515%0.148CC..  trans-115.2159.4-17675.90000113.1H175 S196 D198 I221 F222 T223H175-T200 PolarHBondContact CE1-O 3.4Å; H175-T200 PolarHBondContact ND1-OG1 3.47Å; S196-T200 PolarHBondContact N-O 2.93Å; D198-T200 VanDerWaalsContact CG-OG1 3.29Å; D198-T200 PolarHBondContact O-N 3.28Å; D198-T200 WeakPolarHBondContact OD1-CA 3.46Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.39Å; D198-T200 PolarHBondContact OD1-N 3.12Å; D198-T200 PolarHBondContact OD1-OG1 3.07Å; D198-T200 PolarHBondContact OD2-OG1 2.59Å; T200-I221 HydrophobicContact CG2-CG2 4.05Å; T200-F222 WeakPolarHBondContact CA-O 3.35Å; T200-T223 HydrophobicContact CG2-CG2 4.08Å
201I98.9Very high92.6Very high1 Ų133.3 Ų33.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-116.1124.5168.5-57.9158.1000107.2L193 S194 I221 F222 V229 V232 F242 S244 W254L193-I201 HydrophobicContact CD2-CG2 3.91Å; S194-I201 CarbonylContact O-C 3.57Å; S194-I201 VanDerWaalsContact O-CA 3.28Å; S194-I201 WeakPolarHBondContact O-CA 3.36Å; I201-I221 CarbonylContact O-C 3.6Å; I201-I221 WeakPolarHBondContact O-CA 3.35Å; I201-F222 HydrophobicContact CB-CB 4.17Å; I201-F222 HydrophobicContact CB-CD2 4.25Å; I201-F222 HydrophobicContact CG2-CD2 4.19Å; I201-F222 PolarHBondContact N-O 3.39Å; I201-F222 PolarHBondContact O-N 3.37Å; I201-V229 HydrophobicContact CD1-CG1 4.16Å; I201-V229 HydrophobicContact CG1-CB 4.49Å; I201-V229 HydrophobicContact CG1-CG1 3.86Å; I201-V229 HydrophobicContact CG1-CG2 4.38Å; I201-V232 HydrophobicContact CB-CG1 4.41Å; I201-V232 HydrophobicContact CD1-CG1 3.93Å; I201-V232 HydrophobicContact CG1-CG1 3.78Å; I201-V232 HydrophobicContact CG2-CG1 3.79Å; I201-F242 HydrophobicContact CD1-CE2 4.2Å; I201-F242 HydrophobicContact CG2-CE2 4.19Å; I201-S244 WeakPolarHBondContact CD1-OG 3.18Å; I201-W254 HydrophobicContact CD1-CZ2 4.35Å
202C98.9Very high91Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-101.7139.9175.5-75.60000110.7H175 L193 S194 W204 A218H175-C202 VanDerWaalsContact CE1-SG 3.59Å; L193-C202 WeakPolarHBondContact CA-O 3.36Å; S194-C202 PolarHBondContact N-O 3.35Å; S194-C202 PolarHBondContact O-N 2.99Å; C202-W204 HydrophobicContact CB-CD2 4.48Å; C202-W204 HydrophobicContact CB-CE3 4.22Å; C202-W204 HydrophobicContact CB-CH2 3.16Å; C202-W204 HydrophobicContact CB-CZ2 3.44Å; C202-W204 VanDerWaalsContact CB-CZ2 3.44Å; C202-W204 HydrophobicContact CB-CZ3 3.58Å; C202-A218 HydrophobicContact CB-CB 4.18Å
203L98.8Very high90.1Very high5 Ų543.9 Ų43.93%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-114.7128.1171.3171.360.9000109.4N191 L192 L193 K219 T220 F222 W234 T256N191-L203 HydrophobicContact CB-CD1 4.4Å; L192-L203 WeakPolarHBondContact O-CA 3.24Å; L192-L203 WeakPolarHBondContact O-CD1 3.41Å; L193-L203 HydrophobicContact CD2-CB 3.94Å; L193-L203 HydrophobicContact CD2-CD1 4.04Å; L193-L203 HydrophobicContact CG-CD1 4.46Å; L203-K219 WeakPolarHBondContact O-CB 3.26Å; L203-K219 PolarHBondContact O-N 3.02Å; L203-T220 PolarHBondContact N-O 3.18Å; L203-T220 PolarHBondContact O-N 3.34Å; L203-F222 HydrophobicContact CB-CE2 4.02Å; L203-F222 HydrophobicContact CD2-CE2 4.47Å; L203-W234 HydrophobicContact CD1-CH2 4.24Å; L203-W234 HydrophobicContact CD1-CZ2 3.69Å; L203-T256 HydrophobicContact CD2-CG2 4.24Å
204W98.5Very high89.8Confident0 Ų049 Ų490%028%0.281CS..EExtended strand (participates in β ladder)trans-116.7156169.1-59.1-95.9000111.4V148 L172 K173 H175 N191 L192 C202 I206 V216 D217 A218V148-W204 HydrophobicContact CB-CH2 4.43Å; V148-W204 HydrophobicContact CG2-CH2 3.82Å; V148-W204 HydrophobicContact CG2-CZ3 4.32Å; L172-W204 HydrophobicContact CB-CD2 3.9Å; L172-W204 HydrophobicContact CB-CG 4.03Å; L172-W204 HydrophobicContact CB-CZ2 4.08Å; L172-W204 HydrophobicContact CD1-CB 4.27Å; L172-W204 HydrophobicContact CD1-CD2 4.01Å; L172-W204 HydrophobicContact CD1-CE3 4.16Å; L172-W204 HydrophobicContact CD1-CG 4.06Å; L172-W204 HydrophobicContact CG-CG 4.46Å; K173-W204 PolarHBondContact O-NE1 3.15Å; H175-W204 AromaticContact CD2-CH2 3.79Å; H175-W204 AromaticContact NE2-CH2 3.84Å; N191-W204 WeakPolarHBondContact CA-O 3.18Å; L192-W204 PolarHBondContact N-O 3.4Å; L192-W204 PolarHBondContact O-N 3.38Å; C202-W204 HydrophobicContact CB-CD2 4.48Å; C202-W204 HydrophobicContact CB-CE3 4.22Å; C202-W204 HydrophobicContact CB-CH2 3.16Å; C202-W204 HydrophobicContact CB-CZ2 3.44Å; C202-W204 VanDerWaalsContact CB-CZ2 3.44Å; C202-W204 HydrophobicContact CB-CZ3 3.58Å; W204-I206 HydrophobicContact CB-CG2 4.43Å; W204-V216 PolarHBondContact NE1-O 2.54Å; W204-D217 VanDerWaalsContact CD1-C 3.48Å; W204-A218 VanDerWaalsContact CD1-CA 3.47Å; W204-A218 HydrophobicContact CZ2-CB 4.5Å; W204-A218 VanDerWaalsContact NE1-CA 3.33Å
205D96.3Very high89.6Confident34 Ų3452.6 Ų52.618%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-124.992171.6-178.9-14000108.2G190 G207 T208 K219G190-D205 WeakPolarHBondContact O-CA 3.45Å; D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.95Å; D205-G207 PolarHBondContact OD1-N 2.9Å; D205-T208 PolarHBondContact O-OG1 3.05Å; D205-K219 HydrophobicContact CB-CD 3.8Å; D205-K219 IonicContact OD2-NZ 3.18Å; D205-K219 PolarHBondContact OD2-NZ 3.35Å; D205-K219 VanDerWaalsContact OD2-NZ 3.09Å
206I95Very high89.4Confident23 Ų2353.3 Ų53.312%0.11830%0.304CS..G310 helixtrans-79.5-10.7-175.666152.8000112.9I138 V150 L170 L172 W184 G190 W204 T208 G209I138-I206 HydrophobicContact CG2-CD1 4.38Å; V150-I206 HydrophobicContact CG1-CD1 4.39Å; L170-I206 HydrophobicContact CD1-CB 3.82Å; L170-I206 HydrophobicContact CD1-CD1 4.19Å; L170-I206 HydrophobicContact CD1-CG2 3.96Å; L172-I206 HydrophobicContact CD1-CG2 4.25Å; L172-I206 HydrophobicContact CD2-CG2 3.67Å; W184-I206 HydrophobicContact CH2-CD1 3.54Å; W184-I206 HydrophobicContact CH2-CG1 4.1Å; W184-I206 HydrophobicContact CZ3-CD1 3.93Å; W184-I206 HydrophobicContact CZ3-CG1 4.04Å; G190-I206 VanDerWaalsContact CA-CG1 3.48Å; G190-I206 VanDerWaalsContact O-CG1 3.31Å; G190-I206 WeakPolarHBondContact O-CG1 3.19Å; G190-I206 PolarHBondContact O-N 3.37Å; W204-I206 HydrophobicContact CB-CG2 4.43Å; I206-T208 PolarHBondContact O-N 2.81Å; I206-G209 PolarHBondContact O-N 2.92Å; I206-G209 VanDerWaalsContact O-N 3.15Å
207G86.4Confident89.3Confident62 Ų6259 Ų5964%0.63933%0.334SS*.G310 helixtrans-68.2-25178.700000112.8D205 G209D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.95Å; D205-G207 PolarHBondContact OD1-N 2.9Å; G207-G209 PolarHBondContact O-N 3.19Å
208T75.1Confident89.2Confident111 Ų11158.4 Ų58.468%0.68133%0.334SS*.G310 helixtrans-73.9-13.7175.260.90000113.6D205 I206D205-T208 PolarHBondContact O-OG1 3.05Å; I206-T208 PolarHBondContact O-N 2.81Å
209G71.4Confident89.1Confident26 Ų2663.1 Ų63.127%0.26835%0.354SS..  trans71.2160.8-174.800000113.3I206 G207I206-G209 PolarHBondContact O-N 2.92Å; I206-G209 VanDerWaalsContact O-N 3.15Å; G207-G209 PolarHBondContact O-N 3.19Å
210P74.9Confident89.1Confident51 Ų5161.6 Ų61.633%0.33135%0.35SS..  trans-67.5142.1175.828.3-33.4000111L170 G213 I215 V216L170-P210 HydrophobicContact CD2-CB 4.49Å; L170-P210 HydrophobicContact CD2-CG 3.94Å; P210-G213 WeakPolarHBondContact CB-O 3.42Å; P210-G213 WeakPolarHBondContact CG-O 3.47Å; P210-I215 WeakPolarHBondContact CB-O 3.41Å; P210-V216 HydrophobicContact CB-CG2 4.09Å
211K62.1Low89.1Confident220 Ų22063.8 Ų63.896%0.95736%0.36SS*.SBendtrans-71.8-31.9175.9-68.2-179.8-176.7170.30112.3
212E65Low89.1Confident174 Ų17464 Ų6481%0.81336%0.361SS*.SBendtrans-153.4135175.4-168.4173.4-178.100109.6
213G80.8Confident89.1Confident61 Ų6167.3 Ų67.363%0.62938%0.381SS*.THydrogen-bonded Turntrans64.8-142-179.200000113.6P210P210-G213 WeakPolarHBondContact CB-O 3.42Å; P210-G213 WeakPolarHBondContact CG-O 3.47Å
214K91.2Very high89.1Confident107 Ų10767.9 Ų67.947%0.46539%0.389SS..THydrogen-bonded Turntrans-109.910.9179.4-67.2-176.9166.6-169.80113P168 D169 L170 R171P168-K214 VanDerWaalsContact O-CD 3.32Å; P168-K214 WeakPolarHBondContact O-CD 3.4Å; P168-K214 PolarHBondContact O-NZ 3.24Å; D169-K214 WeakPolarHBondContact O-CD 3.25Å; D169-K214 WeakPolarHBondContact O-CG 3.43Å; L170-K214 CarbonylContact C-O 3.59Å; L170-K214 WeakPolarHBondContact CA-O 3.25Å; R171-K214 PolarHBondContact N-O 3.45Å
215I95.2Very high89.1Confident77 Ų7768.4 Ų68.440%0.39539%0.391SS..EExtended strand (participates in β ladder)trans-98.5134.7-172.9-60.4174.5000110.1R171 K173 P210R171-I215 VanDerWaalsContact O-CA 3.31Å; R171-I215 WeakPolarHBondContact O-CA 3.35Å; K173-I215 HydrophobicContact CD-CG2 4.04Å; K173-I215 HydrophobicContact CG-CG2 4.05Å; P210-I215 WeakPolarHBondContact CB-O 3.41Å
216V95.8Very high89.2Confident14 Ų1471.8 Ų71.89%0.08541%0.413CS..EExtended strand (participates in β ladder)trans-127.6117175-173.10000109L170 R171 L172 K173 W204 P210L170-V216 HydrophobicContact CD2-CG2 4.26Å; R171-V216 PolarHBondContact O-N 2.89Å; L172-V216 CarbonylContact C-O 3.57Å; L172-V216 VanDerWaalsContact CA-O 3.3Å; L172-V216 WeakPolarHBondContact CA-O 3.21Å; L172-V216 HydrophobicContact CD2-CB 3.73Å; L172-V216 HydrophobicContact CD2-CG1 4.47Å; L172-V216 HydrophobicContact CD2-CG2 4.04Å; K173-V216 PolarHBondContact N-O 3.02Å; W204-V216 PolarHBondContact NE1-O 2.54Å; P210-V216 HydrophobicContact CB-CG2 4.09Å
217D96Very high89.4Confident120 Ų12071.7 Ų71.764%0.64242%0.415SS*.EExtended strand (participates in β ladder)trans-77.8152.1174.8-61-52.8000111.3K173 W204 K219K173-D217 CarbonylContact O-C 3.48Å; K173-D217 WeakPolarHBondContact O-CA 3.36Å; W204-D217 VanDerWaalsContact CD1-C 3.48Å; D217-K219 PolarHBondContact O-N 3.37Å
218A97.4Very high90Very high25 Ų2570 Ų7021%0.20739%0.392CS..  trans-55.9129.5178.100000111.1K173 C202 W204 I221K173-A218 PolarHBondContact O-N 2.61Å; C202-A218 HydrophobicContact CB-CB 4.18Å; W204-A218 VanDerWaalsContact CD1-CA 3.47Å; W204-A218 HydrophobicContact CZ2-CB 4.5Å; W204-A218 VanDerWaalsContact NE1-CA 3.33Å; A218-I221 HydrophobicContact CB-CD1 4.23Å; A218-I221 HydrophobicContact CB-CG1 3.82Å
219K96.6Very high91.1Very high121 Ų12164.7 Ų64.753%0.52636%0.36SS..SBendtrans-69.3-42.4174.5177.6178.9179.3176.30110.6L203 D205 D217L203-K219 WeakPolarHBondContact O-CB 3.26Å; L203-K219 PolarHBondContact O-N 3.02Å; D205-K219 HydrophobicContact CB-CD 3.8Å; D205-K219 IonicContact OD2-NZ 3.18Å; D205-K219 PolarHBondContact OD2-NZ 3.35Å; D205-K219 VanDerWaalsContact OD2-NZ 3.09Å; D217-K219 PolarHBondContact O-N 3.37Å
220T98.3Very high92.4Very high40 Ų4065 Ų6525%0.24535%0.354CS..EExtended strand (participates in β ladder)trans-142.9139.3179.3-50.30000109.4L203 F222 T261L203-T220 PolarHBondContact N-O 3.18Å; L203-T220 PolarHBondContact O-N 3.34Å; T220-F222 HydrophobicContact CG2-CD1 4.48Å; T220-F222 HydrophobicContact CG2-CD2 4.32Å; T220-F222 HydrophobicContact CG2-CE1 4Å; T220-F222 HydrophobicContact CG2-CE2 3.82Å; T220-F222 HydrophobicContact CG2-CZ 3.63Å; T220-T261 HydrophobicContact CG2-CG2 3.46Å; T220-T261 VanDerWaalsContact CG2-CG2 3.46Å
221I98.7Very high93.5Very high67 Ų6762.9 Ų62.934%0.34434%0.341SS..EExtended strand (participates in β ladder)trans-118.7122172.2-54.6-179.5000107.6T200 I201 A218 T223 T261T200-I221 HydrophobicContact CG2-CG2 4.05Å; I201-I221 CarbonylContact O-C 3.6Å; I201-I221 WeakPolarHBondContact O-CA 3.35Å; A218-I221 HydrophobicContact CB-CD1 4.23Å; A218-I221 HydrophobicContact CB-CG1 3.82Å; I221-T223 HydrophobicContact CG2-CG2 4.02Å; I221-T261 WeakPolarHBondContact O-CB 3.24Å; I221-T261 PolarHBondContact O-OG1 2.9Å
222F98.8Very high95.3Very high5 Ų552.5 Ų52.52%0.02230%0.296CS..EExtended strand (participates in β ladder)trans-98.1133.2176.7-51.7-96.3000109.8L193 T200 I201 L203 T220 F242 W254 T256 T261L193-F222 HydrophobicContact CD2-CE2 4.46Å; T200-F222 WeakPolarHBondContact CA-O 3.35Å; I201-F222 HydrophobicContact CB-CB 4.17Å; I201-F222 HydrophobicContact CB-CD2 4.25Å; I201-F222 HydrophobicContact CG2-CD2 4.19Å; I201-F222 PolarHBondContact N-O 3.39Å; I201-F222 PolarHBondContact O-N 3.37Å; L203-F222 HydrophobicContact CB-CE2 4.02Å; L203-F222 HydrophobicContact CD2-CE2 4.47Å; T220-F222 HydrophobicContact CG2-CD1 4.48Å; T220-F222 HydrophobicContact CG2-CD2 4.32Å; T220-F222 HydrophobicContact CG2-CE1 4Å; T220-F222 HydrophobicContact CG2-CE2 3.82Å; T220-F222 HydrophobicContact CG2-CZ 3.63Å; F222-F242 HydrophobicContact CD1-CZ 4.09Å; F222-F242 AromaticContact CD2-CZ 3.82Å; F222-F242 HydrophobicContact CD2-CZ 3.82Å; F222-F242 HydrophobicContact CE1-CE1 4.07Å; F222-F242 AromaticContact CE1-CZ 3.95Å; F222-F242 HydrophobicContact CE1-CZ 3.95Å; F222-F242 AromaticContact CE2-CE1 3.99Å; F222-F242 HydrophobicContact CE2-CE1 3.99Å; F222-F242 AromaticContact CE2-CZ 3.68Å; F222-F242 HydrophobicContact CE2-CZ 3.68Å; F222-F242 HydrophobicContact CG-CZ 4.04Å; F222-F242 AromaticContact CZ-CE1 3.72Å; F222-F242 HydrophobicContact CZ-CE1 3.72Å; F222-F242 AromaticContact CZ-CZ 3.76Å; F222-F242 HydrophobicContact CZ-CZ 3.76Å; F222-W254 HydrophobicContact CB-CE3 4.32Å; F222-W254 HydrophobicContact CB-CH2 4.04Å; F222-W254 HydrophobicContact CB-CZ2 4.43Å; F222-W254 HydrophobicContact CB-CZ3 4Å; F222-W254 HydrophobicContact CD1-CD2 4.31Å; F222-W254 AromaticContact CD1-CE3 3.65Å; F222-W254 HydrophobicContact CD1-CE3 3.65Å; F222-W254 AromaticContact CD1-CZ3 3.9Å; F222-W254 HydrophobicContact CD1-CZ3 3.9Å; F222-W254 HydrophobicContact CE1-CE3 4.39Å; F222-W254 HydrophobicContact CG-CE3 4.31Å; F222-W254 HydrophobicContact CG-CZ3 4.4Å; F222-T256 HydrophobicContact CZ-CG2 4.27Å; F222-T261 CarbonylContact C-O 3.55Å; F222-T261 WeakPolarHBondContact CA-O 3.47Å; F222-T261 HydrophobicContact CD1-CG2 4.32Å; F222-T261 HydrophobicContact CE1-CG2 4.35Å
223T98.6Very high96.9Very high71 Ų7145.1 Ų45.144%0.43626%0.263SS..  trans-133.438.9-168.268.40000111.7T200 I221 T261 S262T200-T223 HydrophobicContact CG2-CG2 4.08Å; I221-T223 HydrophobicContact CG2-CG2 4.02Å; T223-T261 PolarHBondContact N-O 2.74Å; T223-S262 WeakPolarHBondContact OG1-CB 3.46Å
224G98.4Very high97.8Very high17 Ų1742.4 Ų42.418%0.17523%0.234CC..  trans-88.2-29.5-178.700000114.2M252 S262G224-M252 WeakPolarHBondContact O-CE 3.22Å; G224-S262 WeakPolarHBondContact CA-O 3.17Å
225H98.8Very high98.1Very high10 Ų1037.5 Ų37.55%0.04621%0.213CC..  trans-70.8155174.7-77.1-73.6000111.4V229 S244 A246 D248H225-V229 HydrophobicContact CB-CG2 3.74Å; H225-S244 PolarHBondContact CD2-OG 3.23Å; H225-S244 PolarHBondContact NE2-OG 2.78Å; H225-A246 HydrophobicContact CB-CB 4.34Å; H225-A246 VanDerWaalsContact CE1-CB 3.46Å; H225-A246 WeakPolarHBondContact CE1-CB 3.29Å; H225-A246 WeakPolarHBondContact ND1-CB 3.31Å; H225-D248 WeakPolarHBondContact CA-OD2 3.26Å; H225-D248 IonicContact CE1-OD1 3.75Å; H225-D248 IonicContact CG-OD2 3.58Å; H225-D248 IonicContact ND1-OD1 3.86Å; H225-D248 PolarHBondContact ND1-OD1 3.18Å; H225-D248 IonicContact ND1-OD2 2.89Å; H225-D248 PolarHBondContact ND1-OD2 3.15Å
226T98.6Very high98.3Very high105 Ų10536.8 Ų36.864%0.64421%0.209SC*.SBendtrans-117.9-3.7-175.754.60000113.5H199 D248H199-T226 VanDerWaalsContact ND1-C 3.27Å; H199-T226 PolarHBondContact ND1-O 2.84Å; H199-T226 VanDerWaalsContact ND1-O 3.08Å; T226-D248 PolarHBondContact N-OD2 3.02Å; T226-D248 WeakPolarHBondContact OG1-CB 3.49Å; T226-D248 PolarHBondContact OG1-OD2 3.47Å; T226-D248 VanDerWaalsContact OG1-OD2 3.05Å
227A98.7Very high98.4Very high21 Ų2140.9 Ų40.917%0.17423%0.23CC..SBendtrans-133.5-173.9175.200000109.8H199 V229 D247 D248H199-A227 WeakPolarHBondContact CA-O 3.42Å; H199-A227 WeakPolarHBondContact CB-O 3.44Å; H199-A227 WeakPolarHBondContact ND1-CA 3.25Å; H199-A227 PolarHBondContact ND1-N 2.9Å; H199-A227 PolarHBondContact ND1-O 3.19Å; A227-V229 PolarHBondContact O-N 3.3Å; A227-D247 HydrophobicContact CB-CB 3.48Å; A227-D247 VanDerWaalsContact CB-CB 3.48Å; A227-D248 HydrophobicContact CB-CB 3.83Å
228V98.8Very high98.5Very high26 Ų2639 Ų3916%0.15822%0.218CC..  trans-55.4133.1177.4173.10000109.6D197 E230 A246 D247D197-V228 HydrophobicContact CB-CG1 4.28Å; D197-V228 HydrophobicContact CB-CG2 4.19Å; V228-E230 VanDerWaalsContact CG1-OE1 3.24Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.44Å; V228-A246 CarbonylContact O-C 3.58Å; V228-A246 WeakPolarHBondContact O-CA 3.33Å; V228-A246 WeakPolarHBondContact O-CB 3.3Å; V228-D247 HydrophobicContact CB-CB 4.36Å; V228-D247 WeakPolarHBondContact CB-OD2 3.39Å; V228-D247 PolarHBondContact O-N 3Å
229V98.9Very high98.5Very high1 Ų142.1 Ų42.11%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-93.7113174.6-166.40000108A195 S196 I201 H225 A227 V232 V245A195-V229 HydrophobicContact CB-CB 3.94Å; A195-V229 HydrophobicContact CB-CG1 3.73Å; A195-V229 WeakPolarHBondContact CB-O 3.42Å; S196-V229 PolarHBondContact N-O 2.71Å; S196-V229 PolarHBondContact O-N 3.18Å; S196-V229 VanDerWaalsContact O-N 3.16Å; I201-V229 HydrophobicContact CD1-CG1 4.16Å; I201-V229 HydrophobicContact CG1-CB 4.49Å; I201-V229 HydrophobicContact CG1-CG1 3.86Å; I201-V229 HydrophobicContact CG1-CG2 4.38Å; H225-V229 HydrophobicContact CB-CG2 3.74Å; A227-V229 PolarHBondContact O-N 3.3Å; V229-V232 HydrophobicContact CG1-CG1 4.39Å; V229-V245 VanDerWaalsContact CG1-O 3.29Å; V229-V245 WeakPolarHBondContact CG1-O 3.3Å
230E98.9Very high98.6Very high31 Ų3137.1 Ų37.115%0.14521%0.208CC..EExtended strand (participates in β ladder)trans-81.9-47.7-171.1-71.5-61.3152.200111.6G181 V228 V245 V275G181-E230 WeakPolarHBondContact CA-O 3.34Å; G181-E230 PolarHBondContact N-O 3.47Å; V228-E230 VanDerWaalsContact CG1-OE1 3.24Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.44Å; E230-V245 PolarHBondContact N-O 3.21Å; E230-V275 WeakPolarHBondContact CB-O 3.43Å
231D98.9Very high98.6Very high8 Ų837 Ų374%0.04321%0.206CC..EExtended strand (participates in β ladder)trans-144.2152.7-176-159.822000113.8R128 G181 S244 V245 N276 L278R128-D231 IonicContact NH1-OD1 2.84Å; R128-D231 PolarHBondContact NH1-OD1 3.22Å; R128-D231 IonicContact NH1-OD2 2.77Å; G181-D231 WeakPolarHBondContact CA-OD1 3.43Å; D231-S244 VanDerWaalsContact O-CA 3.31Å; D231-S244 WeakPolarHBondContact O-CA 3.23Å; D231-V245 HydrophobicContact CB-CG2 3.76Å; D231-V245 PolarHBondContact N-O 2.9Å; D231-V245 PolarHBondContact O-N 2.88Å; D231-N276 WeakPolarHBondContact CB-O 3.31Å; D231-L278 HydrophobicContact CB-CD2 3.79Å; D231-L278 PolarHBondContact OD2-N 2.83Å
232V98.9Very high98.6Very high2 Ų233.9 Ų33.91%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-139.2137.6178.7-74.70000109S183 L193 A195 I201 V229 G243S183-V232 WeakPolarHBondContact CB-O 3.17Å; L193-V232 HydrophobicContact CB-CB 4.31Å; L193-V232 HydrophobicContact CB-CG2 3.9Å; A195-V232 HydrophobicContact CB-CB 4.49Å; A195-V232 HydrophobicContact CB-CG1 3.85Å; A195-V232 HydrophobicContact CB-CG2 4.05Å; I201-V232 HydrophobicContact CB-CG1 4.41Å; I201-V232 HydrophobicContact CD1-CG1 3.93Å; I201-V232 HydrophobicContact CG1-CG1 3.78Å; I201-V232 HydrophobicContact CG2-CG1 3.79Å; V229-V232 HydrophobicContact CG1-CG1 4.39Å; V232-G243 WeakPolarHBondContact CA-O 3.42Å
233S98.9Very high98.6Very high19 Ų1933.6 Ų33.613%0.13319%0.189CC..EExtended strand (participates in β ladder)trans-142.5130180-169.60000110.8F242 G243 F280S233-F242 CarbonylContact O-C 3.54Å; S233-F242 VanDerWaalsContact O-CA 3.31Å; S233-F242 WeakPolarHBondContact O-CA 3.47Å; S233-F242 VanDerWaalsContact O-CB 3.3Å; S233-F242 WeakPolarHBondContact O-CB 3.21Å; S233-G243 PolarHBondContact N-O 2.99Å; S233-G243 PolarHBondContact O-N 3.3Å; S233-F280 WeakPolarHBondContact O-CE2 3.44Å
234W98.9Very high98.6Very high3 Ų330.2 Ų30.21%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-67.9145.1169.9-75.5101.6000111.1S183 N185 N191 L193 L203 E239 F242 T256 F280S183-W234 PolarHBondContact O-NE1 3.1Å; S183-W234 VanDerWaalsContact O-NE1 3.14Å; S183-W234 PolarHBondContact OG-N 3.46Å; S183-W234 VanDerWaalsContact OG-N 3.12Å; N185-W234 VanDerWaalsContact CA-CD1 3.44Å; N185-W234 HydrophobicContact CB-CD2 3.79Å; N185-W234 HydrophobicContact CB-CE3 4.45Å; N185-W234 HydrophobicContact CB-CG 3.91Å; N185-W234 HydrophobicContact CB-CZ2 4.08Å; N185-W234 WeakPolarHBondContact ND2-CH2 3.48Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.27Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.49Å; N191-W234 HydrophobicContact CB-CZ2 4.41Å; L193-W234 HydrophobicContact CD1-CD2 3.63Å; L193-W234 HydrophobicContact CD1-CE3 4.26Å; L193-W234 HydrophobicContact CD1-CG 4Å; L193-W234 HydrophobicContact CD1-CH2 4.29Å; L193-W234 HydrophobicContact CD1-CZ2 3.69Å; L193-W234 HydrophobicContact CD2-CZ2 4.09Å; L193-W234 HydrophobicContact CG-CD2 4.33Å; L193-W234 VanDerWaalsContact CG-CE2 3.46Å; L193-W234 HydrophobicContact CG-CH2 4.45Å; L193-W234 HydrophobicContact CG-CZ2 3.57Å; L203-W234 HydrophobicContact CD1-CH2 4.24Å; L203-W234 HydrophobicContact CD1-CZ2 3.69Å; W234-E239 VanDerWaalsContact CZ3-O 3.23Å; W234-E239 WeakPolarHBondContact CZ3-O 3.5Å; W234-F242 HydrophobicContact CD2-CB 4.18Å; W234-F242 HydrophobicContact CE3-CB 3.83Å; W234-F242 HydrophobicContact CE3-CD1 4.42Å; W234-F242 HydrophobicContact CH2-CD1 4.39Å; W234-F242 HydrophobicContact CZ3-CB 4.3Å; W234-F242 HydrophobicContact CZ3-CD1 4.03Å; W234-T256 HydrophobicContact CH2-CG2 3.79Å; W234-T256 HydrophobicContact CZ3-CG2 4Å; W234-F280 WeakPolarHBondContact O-CD2 3.33Å
235H98.8Very high98.7Very high4 Ų429.4 Ų29.42%0.01916%0.159CC..  trans-65137.6162.9-171.5-64.3000109.7L237 H238 L241 F280 E285H235-L237 PolarHBondContact ND1-N 3.22Å; H235-H238 AromaticContact CE1-CD2 3.42Å; H235-H238 PolarHBondContact CE1-CD2 3.06Å; H235-H238 VanDerWaalsContact CE1-CD2 3.42Å; H235-H238 AromaticContact ND1-CD2 3.85Å; H235-H238 PolarHBondContact ND1-N 3.09Å; H235-H238 AromaticContact NE2-CD2 3.6Å; H235-L241 HydrophobicContact CB-CB 3.81Å; H235-L241 WeakPolarHBondContact CB-O 3.48Å; H235-L241 PolarHBondContact N-O 3.26Å; H235-F280 AromaticContact CD2-CD1 3.89Å; H235-F280 AromaticContact CD2-CE1 3.85Å; H235-E285 PolarHBondContact NE2-O 2.78Å
236L98.1Very high98.7Very high62 Ų6229 Ų2933%0.32516%0.157SC..SBendtrans-78-27.7-170.3-59.3175.3000114P186 N187 F280 P282P186-L236 HydrophobicContact CG-CD2 4.11Å; N187-L236 PolarHBondContact ND2-O 3.4Å; L236-F280 HydrophobicContact CD1-CB 4.34Å; L236-F280 HydrophobicContact CG-CB 4.26Å; L236-P282 VanDerWaalsContact CD1-CA 3.49Å; L236-P282 HydrophobicContact CD1-CB 3.8Å
237L97.7Very high98.7Very high100 Ų10026.2 Ų26.252%0.52414%0.139SC..SBendtrans-102.1-48.6174.9-56173.5000114.7N187 H235 E239 E285N187-L237 PolarHBondContact ND2-O 2.91Å; H235-L237 PolarHBondContact ND1-N 3.22Å; L237-E239 PolarHBondContact O-N 2.88Å; L237-E285 HydrophobicContact CD1-CB 3.77Å
238H98.1Very high98.7Very high81 Ų8126.3 Ų26.338%0.37514%0.136SC..  trans-85.3102-177.2-62.8-62.6000111.8H235 S240 L241 E285H235-H238 AromaticContact CE1-CD2 3.42Å; H235-H238 PolarHBondContact CE1-CD2 3.06Å; H235-H238 VanDerWaalsContact CE1-CD2 3.42Å; H235-H238 AromaticContact ND1-CD2 3.85Å; H235-H238 PolarHBondContact ND1-N 3.09Å; H235-H238 AromaticContact NE2-CD2 3.6Å; H238-S240 PolarHBondContact O-N 2.87Å; H238-L241 HydrophobicContact CB-CB 4.27Å; H238-L241 HydrophobicContact CB-CD1 3.93Å; H238-L241 HydrophobicContact CB-CG 4.12Å; H238-L241 PolarHBondContact O-N 3.12Å; H238-L241 VanDerWaalsContact O-N 3.1Å; H238-E285 IonicContact CD2-OE2 2.87Å; H238-E285 IonicContact CE1-OE2 2.82Å; H238-E285 IonicContact NE2-OE2 3.14Å; H238-E285 PolarHBondContact NE2-OE2 2.86Å
239E98Very high98.7Very high91 Ų9128.7 Ų28.743%0.42515%0.146SC..THydrogen-bonded Turntrans-56.2-22.9-173.668.9177.2-158.200116.1N185 N187 L188 W234 L237N185-E239 PolarHBondContact ND2-O 3.14Å; N187-E239 HydrophobicContact CB-CB 3.71Å; L188-E239 HydrophobicContact CD1-CB 3.99Å; L188-E239 HydrophobicContact CD1-CG 4.23Å; L188-E239 WeakPolarHBondContact CD2-OE2 3.45Å; L188-E239 HydrophobicContact CG-CB 3.99Å; W234-E239 VanDerWaalsContact CZ3-O 3.23Å; W234-E239 WeakPolarHBondContact CZ3-O 3.5Å; L237-E239 PolarHBondContact O-N 2.88Å
240S98.4Very high98.7Very high15 Ų1531.4 Ų31.411%0.10516%0.157CC..THydrogen-bonded Turntrans-92.3-16.2-176.1-54.30000113.6H238 D255 T256 R257H238-S240 PolarHBondContact O-N 2.87Å; S240-D255 WeakPolarHBondContact O-CA 3.31Å; S240-T256 VanDerWaalsContact CA-OG1 3.32Å; S240-T256 WeakPolarHBondContact CA-OG1 3.49Å; S240-T256 WeakPolarHBondContact CB-OG1 3.32Å; S240-T256 PolarHBondContact O-N 2.91Å; S240-T256 PolarHBondContact O-OG1 2.89Å; S240-T256 VanDerWaalsContact O-OG1 3.13Å; S240-R257 WeakPolarHBondContact OG-CD 3.42Å
241L98.7Very high98.7Very high39 Ų3930 Ų3020%0.20415%0.151CC..EExtended strand (participates in β ladder)trans-98.1139.4-173-65-179.1000111.4H235 H238 W254 D255H235-L241 HydrophobicContact CB-CB 3.81Å; H235-L241 WeakPolarHBondContact CB-O 3.48Å; H235-L241 PolarHBondContact N-O 3.26Å; H238-L241 HydrophobicContact CB-CB 4.27Å; H238-L241 HydrophobicContact CB-CD1 3.93Å; H238-L241 HydrophobicContact CB-CG 4.12Å; H238-L241 PolarHBondContact O-N 3.12Å; H238-L241 VanDerWaalsContact O-N 3.1Å; L241-W254 WeakPolarHBondContact CA-O 3.37Å; L241-W254 WeakPolarHBondContact CD2-O 3.39Å; L241-D255 HydrophobicContact CD2-CB 3.89Å
242F98.9Very high98.7Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-146.6156.9169.268.5-89.6000110.4L193 I201 F222 S233 W234 W254 T256L193-F242 HydrophobicContact CD1-CB 3.52Å; L193-F242 HydrophobicContact CD1-CD1 3.94Å; L193-F242 HydrophobicContact CD1-CD2 3.58Å; L193-F242 HydrophobicContact CD1-CE2 4.2Å; L193-F242 HydrophobicContact CD1-CG 3.42Å; L193-F242 VanDerWaalsContact CD1-CG 3.42Å; L193-F242 HydrophobicContact CD2-CE1 4.39Å; L193-F242 HydrophobicContact CD2-CE2 4.34Å; L193-F242 HydrophobicContact CD2-CZ 4.27Å; I201-F242 HydrophobicContact CD1-CE2 4.2Å; I201-F242 HydrophobicContact CG2-CE2 4.19Å; F222-F242 HydrophobicContact CD1-CZ 4.09Å; F222-F242 AromaticContact CD2-CZ 3.82Å; F222-F242 HydrophobicContact CD2-CZ 3.82Å; F222-F242 HydrophobicContact CE1-CE1 4.07Å; F222-F242 AromaticContact CE1-CZ 3.95Å; F222-F242 HydrophobicContact CE1-CZ 3.95Å; F222-F242 AromaticContact CE2-CE1 3.99Å; F222-F242 HydrophobicContact CE2-CE1 3.99Å; F222-F242 AromaticContact CE2-CZ 3.68Å; F222-F242 HydrophobicContact CE2-CZ 3.68Å; F222-F242 HydrophobicContact CG-CZ 4.04Å; F222-F242 AromaticContact CZ-CE1 3.72Å; F222-F242 HydrophobicContact CZ-CE1 3.72Å; F222-F242 AromaticContact CZ-CZ 3.76Å; F222-F242 HydrophobicContact CZ-CZ 3.76Å; S233-F242 CarbonylContact O-C 3.54Å; S233-F242 VanDerWaalsContact O-CA 3.31Å; S233-F242 WeakPolarHBondContact O-CA 3.47Å; S233-F242 VanDerWaalsContact O-CB 3.3Å; S233-F242 WeakPolarHBondContact O-CB 3.21Å; W234-F242 HydrophobicContact CD2-CB 4.18Å; W234-F242 HydrophobicContact CE3-CB 3.83Å; W234-F242 HydrophobicContact CE3-CD1 4.42Å; W234-F242 HydrophobicContact CH2-CD1 4.39Å; W234-F242 HydrophobicContact CZ3-CB 4.3Å; W234-F242 HydrophobicContact CZ3-CD1 4.03Å; F242-W254 HydrophobicContact CD1-CB 3.7Å; F242-W254 HydrophobicContact CD2-CB 3.92Å; F242-W254 AromaticContact CD2-CD1 3.66Å; F242-W254 HydrophobicContact CD2-CG 4.02Å; F242-W254 HydrophobicContact CE1-CB 3.28Å; F242-W254 HydrophobicContact CE1-CG 4.01Å; F242-W254 HydrophobicContact CE2-CB 3.53Å; F242-W254 AromaticContact CE2-CD1 3.21Å; F242-W254 HydrophobicContact CE2-CD2 4.2Å; F242-W254 AromaticContact CE2-CG 3.37Å; F242-W254 HydrophobicContact CE2-CG 3.37Å; F242-W254 AromaticContact CE2-NE1 3.92Å; F242-W254 HydrophobicContact CG-CB 4Å; F242-W254 HydrophobicContact CZ-CB 3.19Å; F242-W254 AromaticContact CZ-CD1 3.74Å; F242-W254 HydrophobicContact CZ-CD2 4.04Å; F242-W254 AromaticContact CZ-CG 3.36Å; F242-W254 HydrophobicContact CZ-CG 3.36Å; F242-W254 PolarHBondContact N-O 3.13Å; F242-W254 PolarHBondContact O-N 2.9Å; F242-T256 HydrophobicContact CD1-CG2 4.1Å; F242-T256 HydrophobicContact CE1-CG2 3.88Å
243G98.9Very high98.7Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-107.4154.317300000111.2V232 S233 M252 L278V232-G243 WeakPolarHBondContact CA-O 3.42Å; S233-G243 PolarHBondContact N-O 2.99Å; S233-G243 PolarHBondContact O-N 3.3Å; G243-M252 CarbonylContact C-O 3.48Å; G243-M252 VanDerWaalsContact CA-O 3.31Å; G243-M252 WeakPolarHBondContact CA-O 3.45Å; G243-L278 VanDerWaalsContact C-CD1 3.44Å
244S98.9Very high98.7Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-142150.9169.365.20000111.4I201 H225 D231 M252 W254I201-S244 WeakPolarHBondContact CD1-OG 3.18Å; H225-S244 PolarHBondContact CD2-OG 3.23Å; H225-S244 PolarHBondContact NE2-OG 2.78Å; D231-S244 VanDerWaalsContact O-CA 3.31Å; D231-S244 WeakPolarHBondContact O-CA 3.23Å; S244-M252 PolarHBondContact N-O 2.82Å; S244-M252 PolarHBondContact O-N 3Å; S244-W254 PolarHBondContact OG-NE1 2.93Å
245V98.9Very high98.6Very high0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-133.9155.3178.6-63.40000110.6V229 E230 D231 K250 L251 V275 L278 T290V229-V245 VanDerWaalsContact CG1-O 3.29Å; V229-V245 WeakPolarHBondContact CG1-O 3.3Å; E230-V245 PolarHBondContact N-O 3.21Å; D231-V245 HydrophobicContact CB-CG2 3.76Å; D231-V245 PolarHBondContact N-O 2.9Å; D231-V245 PolarHBondContact O-N 2.88Å; V245-K250 WeakPolarHBondContact CA-O 3.35Å; V245-L251 HydrophobicContact CG1-CD1 3.89Å; V245-V275 CarbonylContact C-O 3.6Å; V245-V275 HydrophobicContact CB-CB 3.85Å; V245-V275 HydrophobicContact CB-CG1 3.53Å; V245-V275 WeakPolarHBondContact CB-O 3.21Å; V245-V275 HydrophobicContact CG1-CB 4.35Å; V245-V275 HydrophobicContact CG1-CG1 3.59Å; V245-V275 HydrophobicContact CG2-CG1 4.08Å; V245-V275 VanDerWaalsContact CG2-O 3.29Å; V245-V275 WeakPolarHBondContact CG2-O 3.41Å; V245-L278 HydrophobicContact CG1-CB 3.93Å; V245-L278 HydrophobicContact CG1-CD1 4.49Å; V245-L278 HydrophobicContact CG1-CD2 4.24Å; V245-L278 HydrophobicContact CG1-CG 4.44Å; V245-L278 HydrophobicContact CG2-CB 4.45Å; V245-L278 HydrophobicContact CG2-CD2 3.85Å; V245-T290 HydrophobicContact CG1-CG2 3.92Å
246A98.9Very high98.6Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-159.4169.5-167.300000112.7H225 V228 D248 Q249 V275H225-A246 HydrophobicContact CB-CB 4.34Å; H225-A246 VanDerWaalsContact CE1-CB 3.46Å; H225-A246 WeakPolarHBondContact CE1-CB 3.29Å; H225-A246 WeakPolarHBondContact ND1-CB 3.31Å; V228-A246 CarbonylContact O-C 3.58Å; V228-A246 WeakPolarHBondContact O-CA 3.33Å; V228-A246 WeakPolarHBondContact O-CB 3.3Å; A246-D248 WeakPolarHBondContact CB-OD1 3.37Å; A246-D248 PolarHBondContact O-N 3.23Å; A246-D248 VanDerWaalsContact O-N 3.16Å; A246-Q249 PolarHBondContact O-N 3.43Å; A246-Q249 VanDerWaalsContact O-N 3.15Å; A246-V275 PolarHBondContact N-O 2.81Å; A246-V275 PolarHBondContact O-N 2.99Å
247D98.9Very high98.6Very high47 Ų4738 Ų3825%0.25118%0.181SC..THydrogen-bonded Turntrans-61.8-17172.8-79.75.5000113.9A227 V228 Q249 E274A227-D247 HydrophobicContact CB-CB 3.48Å; A227-D247 VanDerWaalsContact CB-CB 3.48Å; V228-D247 HydrophobicContact CB-CB 4.36Å; V228-D247 WeakPolarHBondContact CB-OD2 3.39Å; V228-D247 PolarHBondContact O-N 3Å; D247-Q249 PolarHBondContact O-N 3.43Å; D247-Q249 VanDerWaalsContact O-N 3.11Å; D247-E274 HydrophobicContact CB-CG 3.96Å; D247-E274 WeakPolarHBondContact OD1-CB 3.32Å; D247-E274 WeakPolarHBondContact OD1-CG 3.49Å
248D98.7Very high98.5Very high23 Ų2335.7 Ų35.712%0.12317%0.173CC..THydrogen-bonded Turntrans-78.614.7175.166.67.1000113.1H225 T226 A227 A246 K250H225-D248 WeakPolarHBondContact CA-OD2 3.26Å; H225-D248 IonicContact CE1-OD1 3.75Å; H225-D248 IonicContact CG-OD2 3.58Å; H225-D248 IonicContact ND1-OD1 3.86Å; H225-D248 PolarHBondContact ND1-OD1 3.18Å; H225-D248 IonicContact ND1-OD2 2.89Å; H225-D248 PolarHBondContact ND1-OD2 3.15Å; T226-D248 PolarHBondContact N-OD2 3.02Å; T226-D248 WeakPolarHBondContact OG1-CB 3.49Å; T226-D248 PolarHBondContact OG1-OD2 3.47Å; T226-D248 VanDerWaalsContact OG1-OD2 3.05Å; A227-D248 HydrophobicContact CB-CB 3.83Å; A246-D248 WeakPolarHBondContact CB-OD1 3.37Å; A246-D248 PolarHBondContact O-N 3.23Å; A246-D248 VanDerWaalsContact O-N 3.16Å; D248-K250 WeakPolarHBondContact O-CG 3.24Å; D248-K250 PolarHBondContact O-N 2.97Å; D248-K250 WeakPolarHBondContact OD1-CB 3.29Å
249Q98.7Very high98.3Very high76 Ų7640 Ų4036%0.35520%0.199SC..SBendtrans67.314.9174.3-45.2-174.7-14.800113.6A246 D247 A270 T272 A273A246-Q249 PolarHBondContact O-N 3.43Å; A246-Q249 VanDerWaalsContact O-N 3.15Å; D247-Q249 PolarHBondContact O-N 3.43Å; D247-Q249 VanDerWaalsContact O-N 3.11Å; Q249-A270 PolarHBondContact O-N 3.36Å; Q249-T272 PolarHBondContact NE2-O 3.04Å; Q249-A273 WeakPolarHBondContact CG-O 3.24Å
250K98.7Very high98.2Very high58 Ų5839.1 Ų39.125%0.25220%0.197SC..EExtended strand (participates in β ladder)trans-108142-170.4-71.4173.7179-167.10113.4V245 D248 M252 V268 D269V245-K250 WeakPolarHBondContact CA-O 3.35Å; D248-K250 WeakPolarHBondContact O-CG 3.24Å; D248-K250 PolarHBondContact O-N 2.97Å; D248-K250 WeakPolarHBondContact OD1-CB 3.29Å; K250-M252 HydrophobicContact CB-CE 4.36Å; K250-M252 HydrophobicContact CB-CG 4.5Å; K250-M252 HydrophobicContact CD-CE 3.83Å; K250-V268 VanDerWaalsContact CA-O 3.24Å; K250-V268 WeakPolarHBondContact CA-O 3.33Å; K250-D269 WeakPolarHBondContact CE-OD1 3.35Å
251L98.9Very high98.1Very high1 Ų140.7 Ų40.71%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-94.4124.1155.9171.662.9000108.5V245 I253 S267 V268 A270 L278 L288 T290 W300 L305V245-L251 HydrophobicContact CG1-CD1 3.89Å; L251-I253 HydrophobicContact CD1-CD1 4.11Å; L251-I253 HydrophobicContact CG-CD1 4.4Å; L251-S267 WeakPolarHBondContact O-CA 3.47Å; L251-V268 PolarHBondContact N-O 3.15Å; L251-V268 PolarHBondContact O-N 2.85Å; L251-A270 HydrophobicContact CB-CB 3.83Å; L251-L278 HydrophobicContact CD1-CD1 4.25Å; L251-L288 HydrophobicContact CD1-CD1 3.93Å; L251-L288 HydrophobicContact CD2-CD1 3.93Å; L251-T290 HydrophobicContact CD1-CG2 4.14Å; L251-T290 HydrophobicContact CD2-CG2 4.25Å; L251-W300 HydrophobicContact CD2-CD2 4.18Å; L251-W300 HydrophobicContact CD2-CG 3.98Å; L251-L305 HydrophobicContact CD2-CD2 4.26Å
252M98.9Very high98.1Very high8 Ų842 Ų424%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-115.2133.3172.5-66.9-164.6-17000110.9G224 G243 S244 K250 W254 A264 H266G224-M252 WeakPolarHBondContact O-CE 3.22Å; G243-M252 CarbonylContact C-O 3.48Å; G243-M252 VanDerWaalsContact CA-O 3.31Å; G243-M252 WeakPolarHBondContact CA-O 3.45Å; S244-M252 PolarHBondContact N-O 2.82Å; S244-M252 PolarHBondContact O-N 3Å; K250-M252 HydrophobicContact CB-CE 4.36Å; K250-M252 HydrophobicContact CB-CG 4.5Å; K250-M252 HydrophobicContact CD-CE 3.83Å; M252-W254 HydrophobicContact CB-CZ2 4.21Å; M252-W254 HydrophobicContact SD-CH2 4.32Å; M252-W254 HydrophobicContact SD-CZ2 3.63Å; M252-A264 HydrophobicContact CB-CB 3.8Å; M252-A264 HydrophobicContact CG-CB 4.14Å; M252-A264 HydrophobicContact SD-CB 3.98Å; M252-H266 WeakPolarHBondContact CA-O 3.46Å
253I98.8Very high98Very high7 Ų749 Ų494%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-108.3125.6172.1-55.6-57.8000109L251 S265 H266 F280 L302 L305L251-I253 HydrophobicContact CD1-CD1 4.11Å; L251-I253 HydrophobicContact CG-CD1 4.4Å; I253-S265 WeakPolarHBondContact O-CB 3.4Å; I253-S265 PolarHBondContact O-N 3.44Å; I253-H266 HydrophobicContact CB-CB 4.21Å; I253-H266 PolarHBondContact N-O 3.06Å; I253-H266 PolarHBondContact O-N 3.37Å; I253-H266 VanDerWaalsContact O-N 3.16Å; I253-F280 HydrophobicContact CD1-CZ 4.25Å; I253-L302 HydrophobicContact CD1-CD2 3.84Å; I253-L302 HydrophobicContact CG1-CD2 3.88Å; I253-L302 HydrophobicContact CG2-CD2 4.5Å; I253-L305 HydrophobicContact CG1-CD1 3.63Å
254W98.9Very high97.9Very high3 Ų349.6 Ų49.61%0.01125%0.254CS..EExtended strand (participates in β ladder)trans-112.4152.9-173.4-59.590.4000111.1I201 F222 L241 F242 S244 M252 T261 A264I201-W254 HydrophobicContact CD1-CZ2 4.35Å; F222-W254 HydrophobicContact CB-CE3 4.32Å; F222-W254 HydrophobicContact CB-CH2 4.04Å; F222-W254 HydrophobicContact CB-CZ2 4.43Å; F222-W254 HydrophobicContact CB-CZ3 4Å; F222-W254 HydrophobicContact CD1-CD2 4.31Å; F222-W254 AromaticContact CD1-CE3 3.65Å; F222-W254 HydrophobicContact CD1-CE3 3.65Å; F222-W254 AromaticContact CD1-CZ3 3.9Å; F222-W254 HydrophobicContact CD1-CZ3 3.9Å; F222-W254 HydrophobicContact CE1-CE3 4.39Å; F222-W254 HydrophobicContact CG-CE3 4.31Å; F222-W254 HydrophobicContact CG-CZ3 4.4Å; L241-W254 WeakPolarHBondContact CA-O 3.37Å; L241-W254 WeakPolarHBondContact CD2-O 3.39Å; F242-W254 HydrophobicContact CD1-CB 3.7Å; F242-W254 HydrophobicContact CD2-CB 3.92Å; F242-W254 AromaticContact CD2-CD1 3.66Å; F242-W254 HydrophobicContact CD2-CG 4.02Å; F242-W254 HydrophobicContact CE1-CB 3.28Å; F242-W254 HydrophobicContact CE1-CG 4.01Å; F242-W254 HydrophobicContact CE2-CB 3.53Å; F242-W254 AromaticContact CE2-CD1 3.21Å; F242-W254 HydrophobicContact CE2-CD2 4.2Å; F242-W254 AromaticContact CE2-CG 3.37Å; F242-W254 HydrophobicContact CE2-CG 3.37Å; F242-W254 AromaticContact CE2-NE1 3.92Å; F242-W254 HydrophobicContact CG-CB 4Å; F242-W254 HydrophobicContact CZ-CB 3.19Å; F242-W254 AromaticContact CZ-CD1 3.74Å; F242-W254 HydrophobicContact CZ-CD2 4.04Å; F242-W254 AromaticContact CZ-CG 3.36Å; F242-W254 HydrophobicContact CZ-CG 3.36Å; F242-W254 PolarHBondContact N-O 3.13Å; F242-W254 PolarHBondContact O-N 2.9Å; S244-W254 PolarHBondContact OG-NE1 2.93Å; M252-W254 HydrophobicContact CB-CZ2 4.21Å; M252-W254 HydrophobicContact SD-CH2 4.32Å; M252-W254 HydrophobicContact SD-CZ2 3.63Å; W254-T261 WeakPolarHBondContact CZ3-O 3.47Å; W254-A264 HydrophobicContact CD2-CB 3.82Å; W254-A264 HydrophobicContact CE3-CB 3.91Å; W254-A264 HydrophobicContact CG-CB 4.45Å; W254-A264 HydrophobicContact CH2-CB 4.1Å; W254-A264 HydrophobicContact CZ2-CB 3.99Å; W254-A264 HydrophobicContact CZ3-CB 4.04Å
255D98.5Very high97.8Very high27 Ų2752.5 Ų52.514%0.14428%0.275CS..EExtended strand (participates in β ladder)trans-130.2116.6172.6-170.7-28.9000108.7S240 L241 R257 S258S240-D255 WeakPolarHBondContact O-CA 3.31Å; L241-D255 HydrophobicContact CD2-CB 3.89Å; D255-R257 PolarHBondContact O-N 3.23Å; D255-R257 VanDerWaalsContact O-N 3.13Å; D255-R257 VanDerWaalsContact OD1-CB 3.24Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 WeakPolarHBondContact OD1-CG 3.5Å; D255-R257 IonicContact OD1-CZ 3.18Å; D255-R257 PolarHBondContact OD1-N 2.85Å; D255-R257 IonicContact OD1-NE 3.38Å; D255-R257 PolarHBondContact OD1-NE 3.13Å; D255-R257 IonicContact OD1-NH2 3.61Å; D255-R257 IonicContact OD2-CZ 3.29Å; D255-R257 IonicContact OD2-NE 2.93Å; D255-R257 PolarHBondContact OD2-NE 2.86Å; D255-R257 IonicContact OD2-NH2 3.11Å; D255-R257 PolarHBondContact OD2-NH2 2.89Å; D255-S258 WeakPolarHBondContact O-CB 3.26Å; D255-S258 PolarHBondContact O-N 3.44Å
256T98.2Very high97.8Very high50 Ų5057.2 Ų57.231%0.30730%0.296SS..THydrogen-bonded Turntrans-65.3-13.4-178.553.90000113.9L203 F222 W234 S240 F242 S258L203-T256 HydrophobicContact CD2-CG2 4.24Å; F222-T256 HydrophobicContact CZ-CG2 4.27Å; W234-T256 HydrophobicContact CH2-CG2 3.79Å; W234-T256 HydrophobicContact CZ3-CG2 4Å; S240-T256 VanDerWaalsContact CA-OG1 3.32Å; S240-T256 WeakPolarHBondContact CA-OG1 3.49Å; S240-T256 WeakPolarHBondContact CB-OG1 3.32Å; S240-T256 PolarHBondContact O-N 2.91Å; S240-T256 PolarHBondContact O-OG1 2.89Å; S240-T256 VanDerWaalsContact O-OG1 3.13Å; F242-T256 HydrophobicContact CD1-CG2 4.1Å; F242-T256 HydrophobicContact CE1-CG2 3.88Å; T256-S258 VanDerWaalsContact C-N 3.29Å
257R97.7Very high97.7Very high173 Ų17360 Ų6065%0.65332%0.316SS*.THydrogen-bonded Turntrans-78.9-15173.6-55.6170.1-63.8-174.71112.2S240 D255S240-R257 WeakPolarHBondContact OG-CD 3.42Å; D255-R257 PolarHBondContact O-N 3.23Å; D255-R257 VanDerWaalsContact O-N 3.13Å; D255-R257 VanDerWaalsContact OD1-CB 3.24Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 WeakPolarHBondContact OD1-CG 3.5Å; D255-R257 IonicContact OD1-CZ 3.18Å; D255-R257 PolarHBondContact OD1-N 2.85Å; D255-R257 IonicContact OD1-NE 3.38Å; D255-R257 PolarHBondContact OD1-NE 3.13Å; D255-R257 IonicContact OD1-NH2 3.61Å; D255-R257 IonicContact OD2-CZ 3.29Å; D255-R257 IonicContact OD2-NE 2.93Å; D255-R257 PolarHBondContact OD2-NE 2.86Å; D255-R257 IonicContact OD2-NH2 3.11Å; D255-R257 PolarHBondContact OD2-NH2 2.89Å
258S96.6Very high97.7Very high50 Ų5058.8 Ų58.835%0.3531%0.31SS..  trans-70.7133174.3179.50000110.6D255 T256 N260D255-S258 WeakPolarHBondContact O-CB 3.26Å; D255-S258 PolarHBondContact O-N 3.44Å; T256-S258 VanDerWaalsContact C-N 3.29Å; S258-N260 PolarHBondContact O-N 2.82Å; S258-N260 PolarHBondContact OG-N 2.82Å; S258-N260 VanDerWaalsContact OG-N 3.15Å; S258-N260 PolarHBondContact OG-O 3.21Å
259N93.7Very high97.6Very high171 Ų17163.5 Ų63.591%0.91434%0.335SS*.SBendtrans-75.9-9.4172-67.7-39.4000113
260N96Very high97.6Very high74 Ų7460 Ų6040%0.39632%0.319SS..  trans-101.1108.8179.9-171.5-12.6000110.2S258 S262 K263S258-N260 PolarHBondContact O-N 2.82Å; S258-N260 PolarHBondContact OG-N 2.82Å; S258-N260 VanDerWaalsContact OG-N 3.15Å; S258-N260 PolarHBondContact OG-O 3.21Å; N260-S262 PolarHBondContact OD1-N 3.29Å; N260-S262 PolarHBondContact OD1-OG 3.36Å; N260-K263 PolarHBondContact OD1-N 2.61Å
261T96.6Very high97.6Very high47 Ų4757.8 Ų57.829%0.28831%0.31SS..SBendtrans-93.7-6.6-178.365.10000113.3T220 I221 F222 T223 W254T220-T261 HydrophobicContact CG2-CG2 3.46Å; T220-T261 VanDerWaalsContact CG2-CG2 3.46Å; I221-T261 WeakPolarHBondContact O-CB 3.24Å; I221-T261 PolarHBondContact O-OG1 2.9Å; F222-T261 CarbonylContact C-O 3.55Å; F222-T261 WeakPolarHBondContact CA-O 3.47Å; F222-T261 HydrophobicContact CD1-CG2 4.32Å; F222-T261 HydrophobicContact CE1-CG2 4.35Å; T223-T261 PolarHBondContact N-O 2.74Å; W254-T261 WeakPolarHBondContact CZ3-O 3.47Å
262S97Very high97.6Very high67 Ų6763.3 Ų63.347%0.46934%0.344SS..SBendtrans-97.8-1176.163.80000113.4T223 G224 N260T223-S262 WeakPolarHBondContact OG1-CB 3.46Å; G224-S262 WeakPolarHBondContact CA-O 3.17Å; N260-S262 PolarHBondContact OD1-N 3.29Å; N260-S262 PolarHBondContact OD1-OG 3.36Å
263K96.6Very high97.6Very high147 Ų14763.6 Ų63.664%0.63935%0.348SS*.SBendtrans-137.1116.6178.5-173.7-179.4177.1-1780111N260N260-K263 PolarHBondContact OD1-N 2.61Å
264A97.4Very high97.6Very high12 Ų1267 Ų6710%0.09936%0.364CS..  trans-64.7155.4172.900000112.3M252 W254 H266M252-A264 HydrophobicContact CB-CB 3.8Å; M252-A264 HydrophobicContact CG-CB 4.14Å; M252-A264 HydrophobicContact SD-CB 3.98Å; W254-A264 HydrophobicContact CD2-CB 3.82Å; W254-A264 HydrophobicContact CE3-CB 3.91Å; W254-A264 HydrophobicContact CG-CB 4.45Å; W254-A264 HydrophobicContact CH2-CB 4.1Å; W254-A264 HydrophobicContact CZ2-CB 3.99Å; W254-A264 HydrophobicContact CZ3-CB 4.04Å; A264-H266 VanDerWaalsContact C-N 3.32Å; A264-H266 VanDerWaalsContact CB-O 3.32Å; A264-H266 WeakPolarHBondContact CB-O 3.37Å
265S97.5Very high97.6Very high62 Ų6266.9 Ų66.943%0.43436%0.363SS..SBendtrans-64.2-41.4174.7-62.30000110.8I253I253-S265 WeakPolarHBondContact O-CB 3.4Å; I253-S265 PolarHBondContact O-N 3.44Å
266H98.1Very high97.6Very high99 Ų9966 Ų6646%0.45836%0.358SS..EExtended strand (participates in β ladder)trans-132.3145.9171.3-59.9-81.8000110.1M252 I253 A264 L305M252-H266 WeakPolarHBondContact CA-O 3.46Å; I253-H266 HydrophobicContact CB-CB 4.21Å; I253-H266 PolarHBondContact N-O 3.06Å; I253-H266 PolarHBondContact O-N 3.37Å; I253-H266 VanDerWaalsContact O-N 3.16Å; A264-H266 VanDerWaalsContact C-N 3.32Å; A264-H266 VanDerWaalsContact CB-O 3.32Å; A264-H266 WeakPolarHBondContact CB-O 3.37Å; H266-L305 HydrophobicContact CB-CD1 3.71Å
267S97.9Very high97.6Very high59 Ų5963.7 Ų63.741%0.41334%0.344SS..EExtended strand (participates in β ladder)trans-142.7129.2173.8174.50000107.4L251L251-S267 WeakPolarHBondContact O-CA 3.47Å
268V97.8Very high97.7Very high21 Ų2155.5 Ų55.513%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-135.9137.1-175.4177.50000109.3K250 L251 A270 W300 L305K250-V268 VanDerWaalsContact CA-O 3.24Å; K250-V268 WeakPolarHBondContact CA-O 3.33Å; L251-V268 PolarHBondContact N-O 3.15Å; L251-V268 PolarHBondContact O-N 2.85Å; V268-A270 PolarHBondContact O-N 3.28Å; V268-A270 VanDerWaalsContact O-N 3.12Å; V268-W300 HydrophobicContact CG1-CH2 3.99Å; V268-W300 HydrophobicContact CG1-CZ3 3.9Å; V268-L305 WeakPolarHBondContact CG1-O 3.37Å; V268-L305 HydrophobicContact CG2-CB 3.65Å; V268-L305 WeakPolarHBondContact CG2-O 3.37Å
269D98.2Very high97.8Very high121 Ų12153.5 Ų53.565%0.64730%0.299SS*.EExtended strand (participates in β ladder)trans-70.899.3167.3-52.6-49000107.2K250K250-D269 WeakPolarHBondContact CE-OD1 3.35Å
270A97.9Very high98Very high3 Ų345.6 Ų45.63%0.02526%0.257CS..  trans-86.3-37.2-164.700000112.4Q249 L251 V268 V275 W300 K308Q249-A270 PolarHBondContact O-N 3.36Å; L251-A270 HydrophobicContact CB-CB 3.83Å; V268-A270 PolarHBondContact O-N 3.28Å; V268-A270 VanDerWaalsContact O-N 3.12Å; A270-V275 HydrophobicContact CB-CG2 4.38Å; A270-W300 HydrophobicContact CB-CH2 4.26Å; A270-W300 HydrophobicContact CB-CZ2 3.64Å; A270-W300 WeakPolarHBondContact O-CZ2 3.32Å; A270-K308 WeakPolarHBondContact O-CE 3.31Å; A270-K308 PolarHBondContact O-NZ 3.42Å
271H98.7Very high98.2Very high12 Ų1242.4 Ų42.46%0.05624%0.239CC..  trans-141.6172.7-170.8-77.9-87.8000111V275 T290 S292 D294 T296 A298H271-V275 HydrophobicContact CB-CG2 3.68Å; H271-T290 PolarHBondContact NE2-O 3.22Å; H271-T290 PolarHBondContact NE2-OG1 3.4Å; H271-S292 WeakPolarHBondContact CB-OG 3.22Å; H271-S292 VanDerWaalsContact CG-CB 3.4Å; H271-S292 WeakPolarHBondContact ND1-CB 3.45Å; H271-D294 WeakPolarHBondContact CB-OD2 3.34Å; H271-D294 IonicContact CE1-OD1 3.74Å; H271-D294 IonicContact CG-OD2 3.3Å; H271-D294 IonicContact ND1-OD1 3.27Å; H271-D294 PolarHBondContact ND1-OD1 3.01Å; H271-D294 VanDerWaalsContact ND1-OD1 3.14Å; H271-D294 IonicContact ND1-OD2 3.63Å; H271-D294 PolarHBondContact ND1-OD2 3.23Å; H271-T296 PolarHBondContact CE1-O 3.21Å; H271-T296 PolarHBondContact CE1-OG1 3.38Å; H271-T296 PolarHBondContact ND1-OG1 2.79Å; H271-A298 WeakPolarHBondContact NE2-CB 3.4Å
272T98.4Very high98.2Very high116 Ų11642.5 Ų42.571%0.71224%0.241SC*.SBendtrans-94.3-1.517753.90000113.8Q249 D294Q249-T272 PolarHBondContact NE2-O 3.04Å; T272-D294 PolarHBondContact N-OD2 3.31Å; T272-D294 VanDerWaalsContact N-OD2 3.09Å; T272-D294 WeakPolarHBondContact OG1-CB 3.49Å; T272-D294 PolarHBondContact OG1-OD2 3.13Å
273A98.6Very high98.3Very high15 Ų1544.3 Ų44.312%0.12424%0.238CC..SBendtrans-143.6-176178.100000109.7Q249 A293 D294Q249-A273 WeakPolarHBondContact CG-O 3.24Å; A273-A293 HydrophobicContact CB-CB 3.91Å; A273-D294 HydrophobicContact CB-CB 3.9Å
274E98.8Very high98.3Very high79 Ų7939.2 Ų39.237%0.36922%0.221SC..  trans-53.1133.2178.9-6479.4-177.400111.5D247 S292 A293D247-E274 HydrophobicContact CB-CG 3.96Å; D247-E274 WeakPolarHBondContact OD1-CB 3.32Å; D247-E274 WeakPolarHBondContact OD1-CG 3.49Å; E274-S292 CarbonylContact O-C 3.58Å; E274-S292 VanDerWaalsContact O-CA 3.32Å; E274-S292 WeakPolarHBondContact O-CA 3.27Å; E274-S292 PolarHBondContact O-OG 3.29Å; E274-A293 HydrophobicContact CB-CB 4.13Å; E274-A293 PolarHBondContact O-N 2.77Å
275V98.9Very high98.3Very high0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-104.4109.2-179.1-170.40000108.9E230 V245 A246 A270 H271 T290 G291E230-V275 WeakPolarHBondContact CB-O 3.43Å; V245-V275 CarbonylContact C-O 3.6Å; V245-V275 HydrophobicContact CB-CB 3.85Å; V245-V275 HydrophobicContact CB-CG1 3.53Å; V245-V275 WeakPolarHBondContact CB-O 3.21Å; V245-V275 HydrophobicContact CG1-CB 4.35Å; V245-V275 HydrophobicContact CG1-CG1 3.59Å; V245-V275 HydrophobicContact CG2-CG1 4.08Å; V245-V275 VanDerWaalsContact CG2-O 3.29Å; V245-V275 WeakPolarHBondContact CG2-O 3.41Å; A246-V275 PolarHBondContact N-O 2.81Å; A246-V275 PolarHBondContact O-N 2.99Å; A270-V275 HydrophobicContact CB-CG2 4.38Å; H271-V275 HydrophobicContact CB-CG2 3.68Å; V275-T290 HydrophobicContact CG1-CG2 4.44Å; V275-G291 WeakPolarHBondContact CG1-O 3.36Å
276N98.9Very high98.4Very high9 Ų942.4 Ų42.45%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-92.6-24.5-164.9-62-32000113.9D231 G291 I319 F320D231-N276 WeakPolarHBondContact CB-O 3.31Å; N276-G291 PolarHBondContact N-O 3.07Å; N276-I319 VanDerWaalsContact CB-O 3.28Å; N276-I319 WeakPolarHBondContact CB-O 3.44Å; N276-I319 PolarHBondContact ND2-O 3.12Å; N276-F320 HydrophobicContact CB-CD1 4.3Å
277C98.8Very high98.4Very high0 Ų039 Ų390%021%0.211CC..EExtended strand (participates in β ladder)trans-151.1153.2-173.954.60000113T290 G291 F320 Q321 V322C277-T290 VanDerWaalsContact O-CA 3.3Å; C277-T290 WeakPolarHBondContact O-CA 2.97Å; C277-G291 PolarHBondContact N-O 2.82Å; C277-G291 PolarHBondContact O-N 2.96Å; C277-G291 VanDerWaalsContact SG-CA 3.57Å; C277-F320 WeakPolarHBondContact CB-O 3.29Å; C277-Q321 VanDerWaalsContact SG-C 3.53Å; C277-V322 HydrophobicContact CB-CG1 4.09Å
278L98.9Very high98.4Very high1 Ų136.2 Ų36.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-141.3150.4170.778.8158.8000112.3D231 G243 V245 L251 F280 L288 A289 T290D231-L278 HydrophobicContact CB-CD2 3.79Å; D231-L278 PolarHBondContact OD2-N 2.83Å; G243-L278 VanDerWaalsContact C-CD1 3.44Å; V245-L278 HydrophobicContact CG1-CB 3.93Å; V245-L278 HydrophobicContact CG1-CD1 4.49Å; V245-L278 HydrophobicContact CG1-CD2 4.24Å; V245-L278 HydrophobicContact CG1-CG 4.44Å; V245-L278 HydrophobicContact CG2-CB 4.45Å; V245-L278 HydrophobicContact CG2-CD2 3.85Å; L251-L278 HydrophobicContact CD1-CD1 4.25Å; L278-F280 HydrophobicContact CD1-CE2 4.26Å; L278-L288 HydrophobicContact CD1-CD1 4.37Å; L278-A289 CarbonylContact C-O 3.54Å; L278-A289 VanDerWaalsContact CA-O 3.29Å; L278-A289 WeakPolarHBondContact CA-O 3.4Å; L278-T290 HydrophobicContact CB-CG2 4Å
279S98.9Very high98.5Very high8 Ų835.2 Ų35.26%0.05619%0.185CC..EExtended strand (participates in β ladder)trans-145.1126.9174.4-164.50000111.6L288 A289 V322 W324S279-L288 CarbonylContact O-C 3.56Å; S279-L288 VanDerWaalsContact O-CA 3.29Å; S279-L288 WeakPolarHBondContact O-CA 3.4Å; S279-L288 WeakPolarHBondContact O-CB 3.38Å; S279-A289 PolarHBondContact N-O 3.05Å; S279-A289 PolarHBondContact O-N 2.82Å; S279-V322 WeakPolarHBondContact CB-O 3.16Å; S279-W324 PolarHBondContact O-NE1 3.36Å
280F98.9Very high98.5Very high6 Ų629.4 Ų29.43%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-77.9140171.3-75.5-83000109.9S233 W234 H235 L236 I253 L278 L288 L302 W324S233-F280 WeakPolarHBondContact O-CE2 3.44Å; W234-F280 WeakPolarHBondContact O-CD2 3.33Å; H235-F280 AromaticContact CD2-CD1 3.89Å; H235-F280 AromaticContact CD2-CE1 3.85Å; L236-F280 HydrophobicContact CD1-CB 4.34Å; L236-F280 HydrophobicContact CG-CB 4.26Å; I253-F280 HydrophobicContact CD1-CZ 4.25Å; L278-F280 HydrophobicContact CD1-CE2 4.26Å; F280-L288 HydrophobicContact CD1-CB 3.87Å; F280-L288 HydrophobicContact CE1-CB 4.15Å; F280-L288 HydrophobicContact CE1-CD1 4.27Å; F280-L288 HydrophobicContact CE1-CD2 4.18Å; F280-L288 HydrophobicContact CE1-CG 4.44Å; F280-L288 HydrophobicContact CG-CB 4.32Å; F280-L288 HydrophobicContact CZ-CD1 4.33Å; F280-L302 HydrophobicContact CE1-CD1 4.06Å; F280-L302 HydrophobicContact CE1-CD2 4.3Å; F280-W324 VanDerWaalsContact O-CD1 3.24Å
281N98.8Very high98.6Very high6 Ų629.3 Ų29.33%0.03215%0.153CC..  trans-70.5129.3175.5-172.7-55.5000109.8Y283 S284 I287 W324 E329N281-Y283 VanDerWaalsContact C-N 3.26Å; N281-Y283 PolarHBondContact O-N 2.64Å; N281-Y283 WeakPolarHBondContact OD1-CA 3.46Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.32Å; N281-Y283 PolarHBondContact OD1-N 3.05Å; N281-S284 PolarHBondContact OD1-N 3.19Å; N281-I287 HydrophobicContact CB-CB 4.04Å; N281-I287 HydrophobicContact CB-CG2 4.21Å; N281-I287 WeakPolarHBondContact CB-O 3.44Å; N281-I287 PolarHBondContact N-O 3.41Å; N281-W324 HydrophobicContact CB-CD2 3.91Å; N281-W324 HydrophobicContact CB-CE3 4.39Å; N281-W324 HydrophobicContact CB-CG 4.21Å; N281-W324 HydrophobicContact CB-CZ2 4.19Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.44Å; N281-E329 PolarHBondContact ND2-O 3.46Å
282P97.9Very high98.6Very high49 Ų4928.7 Ų28.732%0.31815%0.151SC..SBendtrans-70.9-18.1-178.924.8-30.4000114.5L236 W324L236-P282 VanDerWaalsContact CD1-CA 3.49Å; L236-P282 HydrophobicContact CD1-CB 3.8Å; P282-W324 HydrophobicContact CG-CB 4.33Å
283Y98.1Very high98.6Very high105 Ų10523.9 Ų23.941%0.41212%0.122SC..SBendtrans-106.9-34.7-177.3-59.8-77.7000112.9N281 P326 H327 E329N281-Y283 VanDerWaalsContact C-N 3.26Å; N281-Y283 PolarHBondContact O-N 2.64Å; N281-Y283 WeakPolarHBondContact OD1-CA 3.46Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.32Å; N281-Y283 PolarHBondContact OD1-N 3.05Å; Y283-P326 PolarHBondContact OH-O 3.4Å; Y283-H327 VanDerWaalsContact OH-C 3.22Å; Y283-H327 WeakPolarHBondContact OH-CA 3.43Å; Y283-H327 PolarHBondContact OH-N 2.99Å; Y283-H327 PolarHBondContact OH-O 2.92Å; Y283-E329 HydrophobicContact CD2-CB 3.72Å; Y283-E329 HydrophobicContact CG-CB 3.76Å
284S97.7Very high98.6Very high40 Ų4024.6 Ų24.628%0.2812%0.124SC..  trans-105.7103.3-177.6-75.90000111.9N281 F286 I287N281-S284 PolarHBondContact OD1-N 3.19Å; S284-F286 PolarHBondContact O-N 2.96Å; S284-I287 PolarHBondContact O-N 3.23Å; S284-I287 VanDerWaalsContact O-N 3.07Å
285E97.6Very high98.6Very high72 Ų7225.1 Ų25.134%0.33613%0.125SC..THydrogen-bonded Turntrans-60.2-20.6-173.376.9173.2131.800115.4H235 L237 H238H235-E285 PolarHBondContact NE2-O 2.78Å; L237-E285 HydrophobicContact CD1-CB 3.77Å; H238-E285 IonicContact CD2-OE2 2.87Å; H238-E285 IonicContact CE1-OE2 2.82Å; H238-E285 IonicContact NE2-OE2 3.14Å; H238-E285 PolarHBondContact NE2-OE2 2.86Å
286F98.3Very high98.6Very high69 Ų6926 Ų2630%0.30313%0.13SC..THydrogen-bonded Turntrans-101.1-6.4-178.2-58.4-62.4000113.4S284 D301 L302 R303S284-F286 PolarHBondContact O-N 2.96Å; F286-D301 CarbonylContact O-C 3.51Å; F286-D301 WeakPolarHBondContact O-CA 3.08Å; F286-L302 HydrophobicContact CB-CB 4.48Å; F286-L302 HydrophobicContact CD1-CB 4.36Å; F286-L302 PolarHBondContact O-N 2.99Å; F286-R303 HydrophobicContact CB-CG 4.33Å; F286-R303 HydrophobicContact CD1-CG 3.58Å; F286-R303 HydrophobicContact CD2-CG 4.39Å; F286-R303 HydrophobicContact CE1-CG 3.95Å; F286-R303 HydrophobicContact CG-CG 3.82Å
287I98.7Very high98.6Very high28 Ų2825.5 Ų25.514%0.14413%0.128CC..EExtended strand (participates in β ladder)trans-103.5133-169.5-57.8-58.9000110.3N281 S284 L299 W300 L309 W324N281-I287 HydrophobicContact CB-CB 4.04Å; N281-I287 HydrophobicContact CB-CG2 4.21Å; N281-I287 WeakPolarHBondContact CB-O 3.44Å; N281-I287 PolarHBondContact N-O 3.41Å; S284-I287 PolarHBondContact O-N 3.23Å; S284-I287 VanDerWaalsContact O-N 3.07Å; I287-L299 HydrophobicContact CG2-CD1 3.63Å; I287-L299 HydrophobicContact CG2-CG 4.36Å; I287-W300 WeakPolarHBondContact CA-O 3.35Å; I287-L309 HydrophobicContact CD1-CD1 3.81Å; I287-W324 HydrophobicContact CG2-CH2 3.99Å; I287-W324 HydrophobicContact CG2-CZ2 3.74Å
288L98.8Very high98.6Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-141.2160.1166.871.1149.6000110.7L251 L278 S279 F280 W300 L302 L305L251-L288 HydrophobicContact CD1-CD1 3.93Å; L251-L288 HydrophobicContact CD2-CD1 3.93Å; L278-L288 HydrophobicContact CD1-CD1 4.37Å; S279-L288 CarbonylContact O-C 3.56Å; S279-L288 VanDerWaalsContact O-CA 3.29Å; S279-L288 WeakPolarHBondContact O-CA 3.4Å; S279-L288 WeakPolarHBondContact O-CB 3.38Å; F280-L288 HydrophobicContact CD1-CB 3.87Å; F280-L288 HydrophobicContact CE1-CB 4.15Å; F280-L288 HydrophobicContact CE1-CD1 4.27Å; F280-L288 HydrophobicContact CE1-CD2 4.18Å; F280-L288 HydrophobicContact CE1-CG 4.44Å; F280-L288 HydrophobicContact CG-CB 4.32Å; F280-L288 HydrophobicContact CZ-CD1 4.33Å; L288-W300 HydrophobicContact CD2-CB 3.84Å; L288-W300 HydrophobicContact CG-CB 4.02Å; L288-W300 PolarHBondContact N-O 2.91Å; L288-W300 PolarHBondContact O-N 2.92Å; L288-L302 HydrophobicContact CD2-CD2 3.61Å; L288-L302 HydrophobicContact CD2-CG 3.87Å; L288-L305 HydrophobicContact CD2-CD2 4.47Å
289A98.9Very high98.6Very high0 Ų026.1 Ų26.10%013%0.131CC..EExtended strand (participates in β ladder)trans-118.2148.3174.300000110.4L278 S279 V297 A298 V322 W324 L332L278-A289 CarbonylContact C-O 3.54Å; L278-A289 VanDerWaalsContact CA-O 3.29Å; L278-A289 WeakPolarHBondContact CA-O 3.4Å; S279-A289 PolarHBondContact N-O 3.05Å; S279-A289 PolarHBondContact O-N 2.82Å; A289-V297 HydrophobicContact CB-CG1 4Å; A289-A298 CarbonylContact C-O 3.46Å; A289-A298 VanDerWaalsContact CA-O 3.28Å; A289-A298 WeakPolarHBondContact CA-O 3.36Å; A289-V322 HydrophobicContact CB-CG2 4.03Å; A289-W324 HydrophobicContact CB-CZ2 4.05Å; A289-L332 HydrophobicContact CB-CD1 4.27Å
290T98.9Very high98.6Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-128.2136.7171.856.30000110.2V245 L251 H271 V275 C277 L278 V297 A298 W300V245-T290 HydrophobicContact CG1-CG2 3.92Å; L251-T290 HydrophobicContact CD1-CG2 4.14Å; L251-T290 HydrophobicContact CD2-CG2 4.25Å; H271-T290 PolarHBondContact NE2-O 3.22Å; H271-T290 PolarHBondContact NE2-OG1 3.4Å; V275-T290 HydrophobicContact CG1-CG2 4.44Å; C277-T290 VanDerWaalsContact O-CA 3.3Å; C277-T290 WeakPolarHBondContact O-CA 2.97Å; L278-T290 HydrophobicContact CB-CG2 4Å; T290-V297 CarbonylContact O-C 3.51Å; T290-V297 VanDerWaalsContact O-CA 3.26Å; T290-V297 WeakPolarHBondContact O-CA 3.42Å; T290-V297 WeakPolarHBondContact O-CG1 3.47Å; T290-A298 PolarHBondContact N-O 2.73Å; T290-A298 PolarHBondContact O-N 2.83Å; T290-W300 PolarHBondContact OG1-NE1 3.16Å
291G98.8Very high98.6Very high0 Ų026.5 Ų26.50%013%0.132CC..EExtended strand (participates in β ladder)trans-111.4147.1174.900000111.5V275 N276 C277V275-G291 WeakPolarHBondContact CG1-O 3.36Å; N276-G291 PolarHBondContact N-O 3.07Å; C277-G291 PolarHBondContact N-O 2.82Å; C277-G291 PolarHBondContact O-N 2.96Å; C277-G291 VanDerWaalsContact SG-CA 3.57Å
292S98.9Very high98.5Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-141.6160.4-165.4170.40000113.6H271 E274 D294 K295 T296 I319H271-S292 WeakPolarHBondContact CB-OG 3.22Å; H271-S292 VanDerWaalsContact CG-CB 3.4Å; H271-S292 WeakPolarHBondContact ND1-CB 3.45Å; E274-S292 CarbonylContact O-C 3.58Å; E274-S292 VanDerWaalsContact O-CA 3.32Å; E274-S292 WeakPolarHBondContact O-CA 3.27Å; E274-S292 PolarHBondContact O-OG 3.29Å; S292-D294 VanDerWaalsContact CB-OD1 3.29Å; S292-D294 WeakPolarHBondContact CB-OD1 3.39Å; S292-D294 PolarHBondContact O-N 2.79Å; S292-D294 PolarHBondContact OG-N 2.86Å; S292-D294 PolarHBondContact OG-OD1 2.78Å; S292-D294 PolarHBondContact OG-OD2 2.9Å; S292-K295 PolarHBondContact O-N 3.47Å; S292-T296 PolarHBondContact N-O 2.91Å; S292-I319 PolarHBondContact O-N 2.86Å; S292-I319 VanDerWaalsContact O-N 3.12Å
293A98.8Very high98.5Very high14 Ų1433.2 Ų33.212%0.11615%0.153CC..THydrogen-bonded Turntrans-63.9-15.1168.200000113.1A273 E274 K295 E318A273-A293 HydrophobicContact CB-CB 3.91Å; E274-A293 HydrophobicContact CB-CB 4.13Å; E274-A293 PolarHBondContact O-N 2.77Å; A293-K295 PolarHBondContact O-N 3.2Å; A293-E318 HydrophobicContact CB-CB 4.33Å; A293-E318 HydrophobicContact CB-CG 3.82Å
294D98.6Very high98.5Very high30 Ų3031.8 Ų31.816%0.1615%0.152CC..THydrogen-bonded Turntrans-75.86.3172.472.214.1000114H271 T272 A273 S292 T296H271-D294 WeakPolarHBondContact CB-OD2 3.34Å; H271-D294 IonicContact CE1-OD1 3.74Å; H271-D294 IonicContact CG-OD2 3.3Å; H271-D294 IonicContact ND1-OD1 3.27Å; H271-D294 PolarHBondContact ND1-OD1 3.01Å; H271-D294 VanDerWaalsContact ND1-OD1 3.14Å; H271-D294 IonicContact ND1-OD2 3.63Å; H271-D294 PolarHBondContact ND1-OD2 3.23Å; T272-D294 PolarHBondContact N-OD2 3.31Å; T272-D294 VanDerWaalsContact N-OD2 3.09Å; T272-D294 WeakPolarHBondContact OG1-CB 3.49Å; T272-D294 PolarHBondContact OG1-OD2 3.13Å; A273-D294 HydrophobicContact CB-CB 3.9Å; S292-D294 VanDerWaalsContact CB-OD1 3.29Å; S292-D294 WeakPolarHBondContact CB-OD1 3.39Å; S292-D294 PolarHBondContact O-N 2.79Å; S292-D294 PolarHBondContact OG-N 2.86Å; S292-D294 PolarHBondContact OG-OD1 2.78Å; S292-D294 PolarHBondContact OG-OD2 2.9Å; D294-T296 PolarHBondContact O-N 3.27Å; D294-T296 WeakPolarHBondContact OD1-CB 3.47Å; D294-T296 PolarHBondContact OD1-N 3.25Å; D294-T296 PolarHBondContact OD1-OG1 2.82Å
295K98.8Very high98.4Very high91 Ų9130.3 Ų30.340%0.39614%0.141SC..SBendtrans71.213175.7-41.2175.8179.4-159.80113.8S292 A293 K316S292-K295 PolarHBondContact O-N 3.47Å; A293-K295 PolarHBondContact O-N 3.2Å; K295-K316 WeakPolarHBondContact CD-O 3.31Å; K295-K316 WeakPolarHBondContact CE-O 3.37Å; K295-K316 PolarHBondContact NZ-O 3.3Å
296T98.8Very high98.3Very high17 Ų1735.7 Ų35.710%0.10416%0.164CC..EExtended strand (participates in β ladder)trans-115.2148.5178.972.90000111.7H271 S292 D294 F312 E313H271-T296 PolarHBondContact CE1-O 3.21Å; H271-T296 PolarHBondContact CE1-OG1 3.38Å; H271-T296 PolarHBondContact ND1-OG1 2.79Å; S292-T296 PolarHBondContact N-O 2.91Å; D294-T296 PolarHBondContact O-N 3.27Å; D294-T296 WeakPolarHBondContact OD1-CB 3.47Å; D294-T296 PolarHBondContact OD1-N 3.25Å; D294-T296 PolarHBondContact OD1-OG1 2.82Å; T296-F312 WeakPolarHBondContact CA-O 3.4Å; T296-E313 HydrophobicContact CG2-CG 4.04Å
297V98.9Very high98.1Very high0 Ų037.8 Ų37.80%018%0.177CC..EExtended strand (participates in β ladder)trans-99.2128.3160.7-175.90000107.7A289 T290 S311 F312 I319 V322 L332A289-V297 HydrophobicContact CB-CG1 4Å; T290-V297 CarbonylContact O-C 3.51Å; T290-V297 VanDerWaalsContact O-CA 3.26Å; T290-V297 WeakPolarHBondContact O-CA 3.42Å; T290-V297 WeakPolarHBondContact O-CG1 3.47Å; V297-S311 WeakPolarHBondContact O-CA 3.36Å; V297-F312 HydrophobicContact CB-CB 4.05Å; V297-F312 HydrophobicContact CB-CD2 3.86Å; V297-F312 HydrophobicContact CB-CG 4.37Å; V297-F312 HydrophobicContact CG1-CD2 3.97Å; V297-F312 PolarHBondContact N-O 3.49Å; V297-F312 WeakPolarHBondContact O-CD2 3.37Å; V297-F312 PolarHBondContact O-N 3.37Å; V297-I319 HydrophobicContact CG2-CD1 3.61Å; V297-V322 HydrophobicContact CG1-CG2 4.06Å; V297-L332 HydrophobicContact CG1-CD1 3.94Å
298A98.8Very high98.1Very high0 Ų040.2 Ų40.20%019%0.187CC..EExtended strand (participates in β ladder)trans-102.2137.2175.700000111.2H271 A289 T290 W300 K308H271-A298 WeakPolarHBondContact NE2-CB 3.4Å; A289-A298 CarbonylContact C-O 3.46Å; A289-A298 VanDerWaalsContact CA-O 3.28Å; A289-A298 WeakPolarHBondContact CA-O 3.36Å; T290-A298 PolarHBondContact N-O 2.73Å; T290-A298 PolarHBondContact O-N 2.83Å; A298-W300 HydrophobicContact CB-CZ2 3.9Å; A298-K308 HydrophobicContact CB-CD 3.72Å; A298-K308 HydrophobicContact CB-CG 4.06Å
299L98.8Very high98Very high13 Ų1344.5 Ų44.57%0.06821%0.209CC..EExtended strand (participates in β ladder)trans-99135.7174-165.867.6000110.6I287 L309 H310 F312 W324I287-L299 HydrophobicContact CG2-CD1 3.63Å; I287-L299 HydrophobicContact CG2-CG 4.36Å; L299-L309 HydrophobicContact CB-CB 4.17Å; L299-L309 HydrophobicContact CD2-CB 4.26Å; L299-L309 HydrophobicContact CD2-CD1 4.21Å; L299-L309 HydrophobicContact CG-CB 4.26Å; L299-L309 HydrophobicContact CG-CD1 4.18Å; L299-L309 WeakPolarHBondContact O-CB 3.42Å; L299-L309 PolarHBondContact O-N 3.12Å; L299-H310 HydrophobicContact CB-CB 4.02Å; L299-H310 HydrophobicContact CD2-CB 4.34Å; L299-H310 PolarHBondContact N-O 2.99Å; L299-F312 HydrophobicContact CB-CE2 4.01Å; L299-F312 HydrophobicContact CD1-CE2 4.43Å; L299-W324 HydrophobicContact CD1-CH2 3.76Å; L299-W324 HydrophobicContact CD1-CZ2 3.69Å
300W98.8Very high98Very high5 Ų546.7 Ų46.72%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-129.5146.7-173.8-59.797.4000113.1L251 V268 A270 I287 L288 T290 A298 L305 K308L251-W300 HydrophobicContact CD2-CD2 4.18Å; L251-W300 HydrophobicContact CD2-CG 3.98Å; V268-W300 HydrophobicContact CG1-CH2 3.99Å; V268-W300 HydrophobicContact CG1-CZ3 3.9Å; A270-W300 HydrophobicContact CB-CH2 4.26Å; A270-W300 HydrophobicContact CB-CZ2 3.64Å; A270-W300 WeakPolarHBondContact O-CZ2 3.32Å; I287-W300 WeakPolarHBondContact CA-O 3.35Å; L288-W300 HydrophobicContact CD2-CB 3.84Å; L288-W300 HydrophobicContact CG-CB 4.02Å; L288-W300 PolarHBondContact N-O 2.91Å; L288-W300 PolarHBondContact O-N 2.92Å; T290-W300 PolarHBondContact OG1-NE1 3.16Å; A298-W300 HydrophobicContact CB-CZ2 3.9Å; W300-L305 HydrophobicContact CB-CD2 3.96Å; W300-L305 HydrophobicContact CE3-CD2 4.46Å; W300-L305 WeakPolarHBondContact CZ3-O 3.37Å; W300-K308 HydrophobicContact CH2-CB 3.98Å; W300-K308 HydrophobicContact CH2-CG 4.39Å; W300-K308 HydrophobicContact CZ2-CG 4.44Å; W300-K308 HydrophobicContact CZ3-CB 3.99Å
301D98.5Very high98Very high17 Ų1748 Ų489%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-109.7117.9168.3-168.2-36.4000110F286 R303 N304 L305 L309F286-D301 CarbonylContact O-C 3.51Å; F286-D301 WeakPolarHBondContact O-CA 3.08Å; D301-R303 PolarHBondContact O-N 3.32Å; D301-R303 VanDerWaalsContact O-N 3.08Å; D301-R303 WeakPolarHBondContact OD1-CB 3.46Å; D301-R303 VanDerWaalsContact OD1-CG 3.28Å; D301-R303 WeakPolarHBondContact OD1-CG 3.48Å; D301-R303 IonicContact OD1-CZ 3.77Å; D301-R303 PolarHBondContact OD1-N 2.88Å; D301-R303 IonicContact OD1-NE 3.97Å; D301-R303 PolarHBondContact OD1-NE 2.98Å; D301-R303 IonicContact OD1-NH2 2.75Å; D301-R303 IonicContact OD2-CZ 3.81Å; D301-R303 VanDerWaalsContact OD2-CZ 3.29Å; D301-R303 IonicContact OD2-NE 3.7Å; D301-R303 PolarHBondContact OD2-NE 2.99Å; D301-R303 VanDerWaalsContact OD2-NE 3.11Å; D301-R303 IonicContact OD2-NH2 2.89Å; D301-R303 PolarHBondContact OD2-NH2 3.36Å; D301-N304 CarbonylContact O-C 3.58Å; D301-N304 PolarHBondContact O-N 2.94Å; D301-L305 WeakPolarHBondContact O-CD2 3.28Å; D301-L305 PolarHBondContact O-N 2.78Å; D301-L305 VanDerWaalsContact O-N 3.16Å; D301-L309 HydrophobicContact CB-CD1 3.9Å; D301-L309 HydrophobicContact CB-CD2 4.15Å; D301-L309 HydrophobicContact CB-CG 4.07Å
302L97.8Very high98Very high27 Ų2748 Ų4814%0.14123%0.229CC..G310 helixtrans-55.7-26.8177.7-72.8179.3000113.3I253 F280 F286 L288 N304 L305I253-L302 HydrophobicContact CD1-CD2 3.84Å; I253-L302 HydrophobicContact CG1-CD2 3.88Å; I253-L302 HydrophobicContact CG2-CD2 4.5Å; F280-L302 HydrophobicContact CE1-CD1 4.06Å; F280-L302 HydrophobicContact CE1-CD2 4.3Å; F286-L302 HydrophobicContact CB-CB 4.48Å; F286-L302 HydrophobicContact CD1-CB 4.36Å; F286-L302 PolarHBondContact O-N 2.99Å; L288-L302 HydrophobicContact CD2-CD2 3.61Å; L288-L302 HydrophobicContact CD2-CG 3.87Å; L302-N304 VanDerWaalsContact C-N 3.31Å; L302-L305 HydrophobicContact CD2-CD1 4.3Å; L302-L305 HydrophobicContact CD2-CD2 4.29Å
303R97.6Very high98Very high169 Ų16953.8 Ų53.864%0.63826%0.256SS*.G310 helixtrans-73.7-25.1179.7-55.4170.5-65.6-174.22112F286 D301F286-R303 HydrophobicContact CB-CG 4.33Å; F286-R303 HydrophobicContact CD1-CG 3.58Å; F286-R303 HydrophobicContact CD2-CG 4.39Å; F286-R303 HydrophobicContact CE1-CG 3.95Å; F286-R303 HydrophobicContact CG-CG 3.82Å; D301-R303 PolarHBondContact O-N 3.32Å; D301-R303 VanDerWaalsContact O-N 3.08Å; D301-R303 WeakPolarHBondContact OD1-CB 3.46Å; D301-R303 VanDerWaalsContact OD1-CG 3.28Å; D301-R303 WeakPolarHBondContact OD1-CG 3.48Å; D301-R303 IonicContact OD1-CZ 3.77Å; D301-R303 PolarHBondContact OD1-N 2.88Å; D301-R303 IonicContact OD1-NE 3.97Å; D301-R303 PolarHBondContact OD1-NE 2.98Å; D301-R303 IonicContact OD1-NH2 2.75Å; D301-R303 IonicContact OD2-CZ 3.81Å; D301-R303 VanDerWaalsContact OD2-CZ 3.29Å; D301-R303 IonicContact OD2-NE 3.7Å; D301-R303 PolarHBondContact OD2-NE 2.99Å; D301-R303 VanDerWaalsContact OD2-NE 3.11Å; D301-R303 IonicContact OD2-NH2 2.89Å; D301-R303 PolarHBondContact OD2-NH2 3.36Å
304N97.1Very high97.9Very high75 Ų7554.8 Ų54.840%0.40126%0.262SS..G310 helixtrans-149.170.8177-174.222.1000112.4D301 L302 K306 L307D301-N304 CarbonylContact O-C 3.58Å; D301-N304 PolarHBondContact O-N 2.94Å; L302-N304 VanDerWaalsContact C-N 3.31Å; N304-K306 PolarHBondContact O-N 2.95Å; N304-L307 PolarHBondContact O-N 2.93Å
305L96.9Very high97.9Very high10 Ų1054 Ų545%0.05226%0.257CS..THydrogen-bonded Turntrans-64.6-8179.6-65.8168.5000114.6L251 I253 H266 V268 L288 W300 D301 L302 L307L251-L305 HydrophobicContact CD2-CD2 4.26Å; I253-L305 HydrophobicContact CG1-CD1 3.63Å; H266-L305 HydrophobicContact CB-CD1 3.71Å; V268-L305 WeakPolarHBondContact CG1-O 3.37Å; V268-L305 HydrophobicContact CG2-CB 3.65Å; V268-L305 WeakPolarHBondContact CG2-O 3.37Å; L288-L305 HydrophobicContact CD2-CD2 4.47Å; W300-L305 HydrophobicContact CB-CD2 3.96Å; W300-L305 HydrophobicContact CE3-CD2 4.46Å; W300-L305 WeakPolarHBondContact CZ3-O 3.37Å; D301-L305 WeakPolarHBondContact O-CD2 3.28Å; D301-L305 PolarHBondContact O-N 2.78Å; D301-L305 VanDerWaalsContact O-N 3.16Å; L302-L305 HydrophobicContact CD2-CD1 4.3Å; L302-L305 HydrophobicContact CD2-CD2 4.29Å; L305-L307 PolarHBondContact O-N 2.99Å
306K94.3Very high97.9Very high185 Ų18557.1 Ų57.180%0.80427%0.271SS*.THydrogen-bonded Turntrans-71-19.2177.7-64.4-179.4-179.7177.60113.2N304N304-K306 PolarHBondContact O-N 2.95Å
307L95.4Very high97.9Very high112 Ų11259.1 Ų59.159%0.58628%0.281SS*.SBendtrans-119121.7179.4-64.5177.4000108.3N304 L305 L309N304-L307 PolarHBondContact O-N 2.93Å; L305-L307 PolarHBondContact O-N 2.99Å; L307-L309 PolarHBondContact O-N 2.99Å
308K97.6Very high97.9Very high79 Ų7962.7 Ų62.734%0.34330%0.297SS..EExtended strand (participates in β ladder)trans-62.6128.8165.1-175.4179.5-63.1-166.60107.7A270 A298 W300 H310A270-K308 WeakPolarHBondContact O-CE 3.31Å; A270-K308 PolarHBondContact O-NZ 3.42Å; A298-K308 HydrophobicContact CB-CD 3.72Å; A298-K308 HydrophobicContact CB-CG 4.06Å; W300-K308 HydrophobicContact CH2-CB 3.98Å; W300-K308 HydrophobicContact CH2-CG 4.39Å; W300-K308 HydrophobicContact CZ2-CG 4.44Å; W300-K308 HydrophobicContact CZ3-CB 3.99Å; K308-H310 WeakPolarHBondContact CD-O 3.37Å; K308-H310 VanDerWaalsContact CG-O 3.25Å; K308-H310 WeakPolarHBondContact CG-O 3.2Å
309L97.9Very high97.9Very high90 Ų9062.7 Ų62.747%0.47130%0.297SS..EExtended strand (participates in β ladder)trans-72.5-45.4178.7-72.6-178.3000111I287 L299 D301 L307I287-L309 HydrophobicContact CD1-CD1 3.81Å; L299-L309 HydrophobicContact CB-CB 4.17Å; L299-L309 HydrophobicContact CD2-CB 4.26Å; L299-L309 HydrophobicContact CD2-CD1 4.21Å; L299-L309 HydrophobicContact CG-CB 4.26Å; L299-L309 HydrophobicContact CG-CD1 4.18Å; L299-L309 WeakPolarHBondContact O-CB 3.42Å; L299-L309 PolarHBondContact O-N 3.12Å; D301-L309 HydrophobicContact CB-CD1 3.9Å; D301-L309 HydrophobicContact CB-CD2 4.15Å; D301-L309 HydrophobicContact CB-CG 4.07Å; L307-L309 PolarHBondContact O-N 2.99Å
310H98.6Very high97.8Very high46 Ų4664.3 Ų64.321%0.21330%0.304CS..EExtended strand (participates in β ladder)trans-154.7160.3-176.6-164.453.6000111.5L299 K308 F312 I349 E364L299-H310 HydrophobicContact CB-CB 4.02Å; L299-H310 HydrophobicContact CD2-CB 4.34Å; L299-H310 PolarHBondContact N-O 2.99Å; K308-H310 WeakPolarHBondContact CD-O 3.37Å; K308-H310 VanDerWaalsContact CG-O 3.25Å; K308-H310 WeakPolarHBondContact CG-O 3.2Å; H310-F312 AromaticContact CD2-CD1 3.82Å; H310-F312 AromaticContact CD2-CE1 3.74Å; H310-F312 AromaticContact CD2-CZ 3.96Å; H310-I349 HydrophobicContact CB-CD1 4.37Å; H310-E364 IonicContact CD2-OE1 3.75Å; H310-E364 IonicContact CE1-OE1 2.69Å; H310-E364 IonicContact NE2-OE1 3.85Å; H310-E364 PolarHBondContact NE2-OE1 3.41Å
311S98.4Very high97.8Very high29 Ų2964.1 Ų64.120%0.20330%0.304CS..EExtended strand (participates in β ladder)trans-128114.2174.8-169.90000108.1V297 E313V297-S311 WeakPolarHBondContact O-CA 3.36Å; S311-E313 PolarHBondContact OG-OE1 3.37Å
312F98.8Very high97.8Very high0 Ų063.3 Ų63.30%030%0.299CS..EExtended strand (participates in β ladder)trans-86.3120176.3-58-86.4000109.2T296 V297 L299 H310 L332 W344 I349 E364T296-F312 WeakPolarHBondContact CA-O 3.4Å; V297-F312 HydrophobicContact CB-CB 4.05Å; V297-F312 HydrophobicContact CB-CD2 3.86Å; V297-F312 HydrophobicContact CB-CG 4.37Å; V297-F312 HydrophobicContact CG1-CD2 3.97Å; V297-F312 PolarHBondContact N-O 3.49Å; V297-F312 WeakPolarHBondContact O-CD2 3.37Å; V297-F312 PolarHBondContact O-N 3.37Å; L299-F312 HydrophobicContact CB-CE2 4.01Å; L299-F312 HydrophobicContact CD1-CE2 4.43Å; H310-F312 AromaticContact CD2-CD1 3.82Å; H310-F312 AromaticContact CD2-CE1 3.74Å; H310-F312 AromaticContact CD2-CZ 3.96Å; F312-L332 HydrophobicContact CE1-CD2 4.25Å; F312-L332 HydrophobicContact CE2-CD1 4.28Å; F312-L332 HydrophobicContact CE2-CD2 4.12Å; F312-L332 HydrophobicContact CZ-CD2 3.74Å; F312-W344 HydrophobicContact CB-CD2 4.03Å; F312-W344 HydrophobicContact CB-CE3 3.9Å; F312-W344 HydrophobicContact CB-CH2 3.84Å; F312-W344 HydrophobicContact CB-CZ2 4.04Å; F312-W344 HydrophobicContact CB-CZ3 3.8Å; F312-W344 HydrophobicContact CD1-CB 4.12Å; F312-W344 AromaticContact CD1-CD2 3.93Å; F312-W344 HydrophobicContact CD1-CD2 3.93Å; F312-W344 AromaticContact CD1-CE3 3.72Å; F312-W344 HydrophobicContact CD1-CE3 3.72Å; F312-W344 HydrophobicContact CD1-CG 4.14Å; F312-W344 HydrophobicContact CD1-CZ3 4.35Å; F312-W344 HydrophobicContact CE1-CB 4.12Å; F312-W344 HydrophobicContact CG-CD2 4.22Å; F312-W344 HydrophobicContact CG-CE3 4.21Å; F312-I349 HydrophobicContact CE1-CD1 4.14Å; F312-I349 HydrophobicContact CZ-CD1 4.26Å; F312-E364 HydrophobicContact CD1-CG 3.6Å; F312-E364 HydrophobicContact CE1-CB 4.35Å; F312-E364 HydrophobicContact CE1-CG 3.79Å
313E98.3Very high97.9Very high121 Ų12164.7 Ų64.757%0.56531%0.305SS*.EExtended strand (participates in β ladder)trans-126.3110.6-170.4-63.6-178.6-176.900110.5T296 S311 P362T296-E313 HydrophobicContact CG2-CG 4.04Å; S311-E313 PolarHBondContact OG-OE1 3.37Å; E313-P362 WeakPolarHBondContact O-CD 3.47Å; E313-P362 WeakPolarHBondContact O-CG 3.43Å
314S98.2Very high98Very high35 Ų3557.1 Ų57.125%0.24528%0.276CS..  trans-168.1-30.7174.2177.70000111.5N342 L365S314-N342 PolarHBondContact OG-ND2 2.69Å; S314-L365 WeakPolarHBondContact OG-CD2 3.31Å
315H98.6Very high98Very high12 Ų1253.6 Ų53.66%0.05626%0.257CS..  trans-55.5141.8174.7-81.8-69.2000112I319 S334 D338 W344H315-I319 HydrophobicContact CB-CD1 4.05Å; H315-I319 HydrophobicContact CB-CG1 4.04Å; H315-I319 WeakPolarHBondContact CD2-CD1 3.29Å; H315-S334 PolarHBondContact CD2-OG 3.18Å; H315-S334 PolarHBondContact CE1-O 2.86Å; H315-S334 PolarHBondContact NE2-O 3.46Å; H315-S334 PolarHBondContact NE2-OG 3.14Å; H315-D338 VanDerWaalsContact CA-OD2 3.29Å; H315-D338 WeakPolarHBondContact CA-OD2 3.46Å; H315-D338 WeakPolarHBondContact CB-OD2 3.27Å; H315-D338 IonicContact CE1-OD2 2.66Å; H315-D338 IonicContact CG-OD2 2.94Å; H315-D338 IonicContact ND1-OD1 2.71Å; H315-D338 PolarHBondContact ND1-OD1 2.97Å; H315-D338 IonicContact ND1-OD2 2.71Å; H315-D338 PolarHBondContact ND1-OD2 2.97Å; H315-W344 AromaticContact CD2-CZ2 3.9Å
316K98Very high98.1Very high158 Ų15855.1 Ų55.169%0.68727%0.268SS*.SBendtrans-99.9-10.8-175.9-64.2-179.4-177.9174.50112.8K295 D338K295-K316 WeakPolarHBondContact CD-O 3.31Å; K295-K316 WeakPolarHBondContact CE-O 3.37Å; K295-K316 PolarHBondContact NZ-O 3.3Å; K316-D338 HydrophobicContact CB-CB 4.04Å; K316-D338 PolarHBondContact N-OD2 3Å
317D98.4Very high98.3Very high59 Ų5948.9 Ų48.932%0.31624%0.241SC..SBendtrans-150.8-177.1-177.9-144.5-23.1000111.3T337 D338D317-T337 HydrophobicContact CB-CG2 4.39Å; D317-D338 HydrophobicContact CB-CB 3.79Å
318E98.6Very high98.4Very high74 Ų7446.2 Ų46.235%0.34623%0.228SC..  trans-55134.5-175.9-58.5178.5177.800113.1A293 F320 G336 T337A293-E318 HydrophobicContact CB-CB 4.33Å; A293-E318 HydrophobicContact CB-CG 3.82Å; E318-F320 HydrophobicContact CB-CD2 4.4Å; E318-F320 HydrophobicContact CB-CE2 3.81Å; E318-F320 HydrophobicContact CB-CZ 4.49Å; E318-F320 WeakPolarHBondContact OE2-CE2 3.49Å; E318-F320 WeakPolarHBondContact OE2-CZ 3.47Å; E318-G336 CarbonylContact O-C 3.49Å; E318-G336 WeakPolarHBondContact O-CA 3.45Å; E318-T337 PolarHBondContact O-N 2.92Å
319I98.8Very high98.4Very high0 Ų047.6 Ų47.60%024%0.235CC..EExtended strand (participates in β ladder)trans-94.9130177.6-57.2174.9000109N276 S292 V297 H315N276-I319 VanDerWaalsContact CB-O 3.28Å; N276-I319 WeakPolarHBondContact CB-O 3.44Å; N276-I319 PolarHBondContact ND2-O 3.12Å; S292-I319 PolarHBondContact O-N 2.86Å; S292-I319 VanDerWaalsContact O-N 3.12Å; V297-I319 HydrophobicContact CG2-CD1 3.61Å; H315-I319 HydrophobicContact CB-CD1 4.05Å; H315-I319 HydrophobicContact CB-CG1 4.04Å; H315-I319 WeakPolarHBondContact CD2-CD1 3.29Å
320F98.3Very high98.4Very high48 Ų4844.8 Ų44.821%0.21122%0.222CC..EExtended strand (participates in β ladder)trans-113.8-20.9-176.7-82.6-81.2000114.3N276 C277 E318 S335 T337 K375N276-F320 HydrophobicContact CB-CD1 4.3Å; C277-F320 WeakPolarHBondContact CB-O 3.29Å; E318-F320 HydrophobicContact CB-CD2 4.4Å; E318-F320 HydrophobicContact CB-CE2 3.81Å; E318-F320 HydrophobicContact CB-CZ 4.49Å; E318-F320 WeakPolarHBondContact OE2-CE2 3.49Å; E318-F320 WeakPolarHBondContact OE2-CZ 3.47Å; F320-S335 PolarHBondContact N-O 3.15Å; F320-T337 VanDerWaalsContact CE2-OG1 3.27Å; F320-T337 WeakPolarHBondContact CE2-OG1 3.47Å; F320-K375 VanDerWaalsContact CD2-CE 3.47Å; F320-K375 VanDerWaalsContact CE2-NZ 3.27Å; F320-K375 VanDerWaalsContact CZ-NZ 3.34Å
321Q98.5Very high98.4Very high1 Ų142.8 Ų42.81%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-140.8141.9179.4-174.760.3-88.900110.8C277 Q323 S334 S335 D378 F379C277-Q321 VanDerWaalsContact SG-C 3.53Å; Q321-Q323 HydrophobicContact CG-CG 4.2Å; Q321-S334 VanDerWaalsContact O-CA 3.23Å; Q321-S334 WeakPolarHBondContact O-CA 3.49Å; Q321-S335 PolarHBondContact N-O 2.86Å; Q321-S335 PolarHBondContact O-N 3.05Å; Q321-D378 PolarHBondContact NE2-OD1 3.11Å; Q321-F379 HydrophobicContact CB-CD1 3.93Å; Q321-F379 HydrophobicContact CB-CE1 3.73Å; Q321-F379 HydrophobicContact CG-CD1 3.59Å; Q321-F379 HydrophobicContact CG-CE1 3.4Å; Q321-F379 HydrophobicContact CG-CZ 4.2Å
322V98.8Very high98.4Very high0 Ų041.4 Ų41.40%020%0.203CC..EExtended strand (participates in β ladder)trans-138.3132.2172.167.20000108.8C277 S279 A289 V297 L332 A333C277-V322 HydrophobicContact CB-CG1 4.09Å; S279-V322 WeakPolarHBondContact CB-O 3.16Å; A289-V322 HydrophobicContact CB-CG2 4.03Å; V297-V322 HydrophobicContact CG1-CG2 4.06Å; V322-L332 HydrophobicContact CG2-CD1 3.99Å; V322-A333 WeakPolarHBondContact CA-O 3.28Å; V322-A333 WeakPolarHBondContact CG2-O 3.32Å
323Q98.9Very high98.4Very high56 Ų5641.4 Ų41.426%0.26220%0.203SC..EExtended strand (participates in β ladder)trans-143.2130.9179.7-66.5-65.6-33.700110.6Q321 A333 F379 W381Q321-Q323 HydrophobicContact CG-CG 4.2Å; Q323-A333 PolarHBondContact N-O 3.28Å; Q323-A333 PolarHBondContact O-N 3.21Å; Q323-F379 HydrophobicContact CB-CE2 3.74Å; Q323-F379 HydrophobicContact CB-CZ 3.78Å; Q323-F379 HydrophobicContact CG-CE2 4.09Å; Q323-F379 HydrophobicContact CG-CZ 4Å; Q323-W381 PolarHBondContact O-NE1 3.33Å; Q323-W381 VanDerWaalsContact O-NE1 3.11Å
324W98.9Very high98.4Very high10 Ų1035.6 Ų35.64%0.03818%0.176CC..EExtended strand (participates in β ladder)trans-69.7146.8169.2-70.696.1000111.1S279 F280 N281 P282 I287 A289 L299 L332 L346 W381S279-W324 PolarHBondContact O-NE1 3.36Å; F280-W324 VanDerWaalsContact O-CD1 3.24Å; N281-W324 HydrophobicContact CB-CD2 3.91Å; N281-W324 HydrophobicContact CB-CE3 4.39Å; N281-W324 HydrophobicContact CB-CG 4.21Å; N281-W324 HydrophobicContact CB-CZ2 4.19Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.44Å; P282-W324 HydrophobicContact CG-CB 4.33Å; I287-W324 HydrophobicContact CG2-CH2 3.99Å; I287-W324 HydrophobicContact CG2-CZ2 3.74Å; A289-W324 HydrophobicContact CB-CZ2 4.05Å; L299-W324 HydrophobicContact CD1-CH2 3.76Å; L299-W324 HydrophobicContact CD1-CZ2 3.69Å; W324-L332 HydrophobicContact CD2-CB 4.07Å; W324-L332 HydrophobicContact CE3-CB 3.84Å; W324-L332 HydrophobicContact CH2-CB 4.49Å; W324-L332 HydrophobicContact CH2-CD2 3.92Å; W324-L332 HydrophobicContact CZ3-CB 4.05Å; W324-L332 HydrophobicContact CZ3-CD2 3.89Å; W324-L346 HydrophobicContact CH2-CD2 3.86Å; W324-L346 HydrophobicContact CZ3-CD2 3.82Å; W324-W381 VanDerWaalsContact O-CD1 3.28Å
325S98.6Very high98.5Very high0 Ų034 Ų340%017%0.165CC..  trans-61.5134.9168.2171.60000109.9H327 N328 I331S325-H327 PolarHBondContact O-N 2.79Å; S325-H327 PolarHBondContact OG-N 2.89Å; S325-H327 VanDerWaalsContact OG-N 3.14Å; S325-N328 PolarHBondContact OG-N 2.81Å; S325-N328 VanDerWaalsContact OG-N 3.17Å; S325-I331 WeakPolarHBondContact CB-O 3.39Å; S325-I331 PolarHBondContact N-O 3.45Å
326P98.1Very high98.4Very high43 Ų4333.4 Ų33.428%0.27916%0.162SC..SBendtrans-82.28.9173.835.6-35.7000112.7Y283 W381Y283-P326 PolarHBondContact OH-O 3.4Å; P326-W381 VanDerWaalsContact CD-CB 3.42Å; P326-W381 HydrophobicContact CG-CB 3.85Å
327H98Very high98.4Very high53 Ų5327.5 Ų27.525%0.24514%0.14CC..SBendtrans-125.7-30.4-178.7-55.7114.8000114Y283 S325 N382 P383 P386Y283-H327 VanDerWaalsContact OH-C 3.22Å; Y283-H327 WeakPolarHBondContact OH-CA 3.43Å; Y283-H327 PolarHBondContact OH-N 2.99Å; Y283-H327 PolarHBondContact OH-O 2.92Å; S325-H327 PolarHBondContact O-N 2.79Å; S325-H327 PolarHBondContact OG-N 2.89Å; S325-H327 VanDerWaalsContact OG-N 3.14Å; H327-N382 PolarHBondContact CE1-O 2.83Å; H327-P383 PolarHBondContact NE2-O 3.01Å; H327-P386 WeakPolarHBondContact ND1-CA 3.2Å
328N97.9Very high98.3Very high57 Ų5725.3 Ų25.331%0.30513%0.128SC..  trans-128.4123.3-174.6-6286.6000110.3S325 T330 I331S325-N328 PolarHBondContact OG-N 2.81Å; S325-N328 VanDerWaalsContact OG-N 3.17Å; N328-T330 PolarHBondContact O-N 2.9Å; N328-I331 HydrophobicContact CB-CB 4.02Å; N328-I331 HydrophobicContact CB-CG1 3.54Å; N328-I331 PolarHBondContact O-N 2.73Å
329E97.7Very high98.3Very high107 Ų10723.6 Ų23.650%0.512%0.118SC..THydrogen-bonded Turntrans-67.9-21.6-175.168.1-177.4-179.700114.6N281 Y283N281-E329 PolarHBondContact ND2-O 3.46Å; Y283-E329 HydrophobicContact CD2-CB 3.72Å; Y283-E329 HydrophobicContact CG-CB 3.76Å
330T98.1Very high98.3Very high31 Ų3126.3 Ų26.319%0.1913%0.128CC..THydrogen-bonded Turntrans-90.9-13.4-177.863.60000113.7N328 D345 L346N328-T330 PolarHBondContact O-N 2.9Å; T330-D345 WeakPolarHBondContact CB-OD1 3.22Å; T330-D345 PolarHBondContact OG1-OD1 2.77Å; T330-L346 HydrophobicContact CG2-CD1 3.81Å; T330-L346 HydrophobicContact CG2-CG 4.06Å; T330-L346 VanDerWaalsContact O-CG 3.32Å; T330-L346 WeakPolarHBondContact O-CG 3.38Å; T330-L346 PolarHBondContact O-N 2.71Å
331I98.8Very high98.3Very high4 Ų424 Ų242%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-99.3127.9-169.3-55.5-60.5000110.7S325 N328 V343 W344 D345 L366 W381 W387S325-I331 WeakPolarHBondContact CB-O 3.39Å; S325-I331 PolarHBondContact N-O 3.45Å; N328-I331 HydrophobicContact CB-CB 4.02Å; N328-I331 HydrophobicContact CB-CG1 3.54Å; N328-I331 PolarHBondContact O-N 2.73Å; I331-V343 HydrophobicContact CG2-CG1 3.71Å; I331-W344 WeakPolarHBondContact CA-O 3.42Å; I331-D345 HydrophobicContact CD1-CB 3.59Å; I331-D345 WeakPolarHBondContact CD1-OD1 3.16Å; I331-L366 HydrophobicContact CD1-CD2 4.13Å; I331-W381 HydrophobicContact CG2-CH2 3.81Å; I331-W381 HydrophobicContact CG2-CZ2 3.98Å; I331-W387 HydrophobicContact CB-CH2 4.48Å; I331-W387 HydrophobicContact CD1-CH2 3.72Å; I331-W387 HydrophobicContact CD1-CZ3 4.32Å; I331-W387 HydrophobicContact CG1-CH2 3.62Å; I331-W387 HydrophobicContact CG1-CZ2 4.36Å; I331-W387 HydrophobicContact CG1-CZ3 4.21Å; I331-W387 HydrophobicContact CG2-CH2 4.17Å; I331-W387 HydrophobicContact CG2-CZ3 3.87Å
332L98.5Very high98.3Very high0 Ų024.1 Ų24.10%012%0.119CC..EExtended strand (participates in β ladder)trans-129.5159167.168.4140.7000110.6A289 V297 F312 V322 W324 V343 W344A289-L332 HydrophobicContact CB-CD1 4.27Å; V297-L332 HydrophobicContact CG1-CD1 3.94Å; F312-L332 HydrophobicContact CE1-CD2 4.25Å; F312-L332 HydrophobicContact CE2-CD1 4.28Å; F312-L332 HydrophobicContact CE2-CD2 4.12Å; F312-L332 HydrophobicContact CZ-CD2 3.74Å; V322-L332 HydrophobicContact CG2-CD1 3.99Å; W324-L332 HydrophobicContact CD2-CB 4.07Å; W324-L332 HydrophobicContact CE3-CB 3.84Å; W324-L332 HydrophobicContact CH2-CB 4.49Å; W324-L332 HydrophobicContact CH2-CD2 3.92Å; W324-L332 HydrophobicContact CZ3-CB 4.05Å; W324-L332 HydrophobicContact CZ3-CD2 3.89Å; L332-V343 WeakPolarHBondContact O-CA 3.42Å; L332-W344 HydrophobicContact CD1-CG 4.49Å; L332-W344 HydrophobicContact CD2-CB 3.93Å; L332-W344 HydrophobicContact CG-CB 3.94Å; L332-W344 HydrophobicContact CG-CG 4.2Å; L332-W344 PolarHBondContact N-O 2.87Å; L332-W344 VanDerWaalsContact N-O 3.11Å; L332-W344 PolarHBondContact O-N 3.27Å
333A98.9Very high98.3Very high0 Ų024.1 Ų24.10%012%0.119CC..EExtended strand (participates in β ladder)trans-126.4154.2170.500000110.9V322 Q323 L341 N342 V343 F379 W381V322-A333 WeakPolarHBondContact CA-O 3.28Å; V322-A333 WeakPolarHBondContact CG2-O 3.32Å; Q323-A333 PolarHBondContact N-O 3.28Å; Q323-A333 PolarHBondContact O-N 3.21Å; A333-L341 HydrophobicContact CB-CD2 3.91Å; A333-N342 CarbonylContact C-O 3.48Å; A333-N342 WeakPolarHBondContact CA-O 3.32Å; A333-V343 HydrophobicContact CB-CG2 4.27Å; A333-F379 HydrophobicContact CB-CE2 3.61Å; A333-F379 HydrophobicContact CB-CZ 3.71Å; A333-F379 WeakPolarHBondContact O-CZ 3.35Å; A333-W381 HydrophobicContact CB-CZ2 3.59Å
334S98.9Very high98.3Very high0 Ų021.4 Ų21.40%011%0.106CC..EExtended strand (participates in β ladder)trans-143.4148.9174.555.90000111.8H315 Q321 L341 N342 W344H315-S334 PolarHBondContact CD2-OG 3.18Å; H315-S334 PolarHBondContact CE1-O 2.86Å; H315-S334 PolarHBondContact NE2-O 3.46Å; H315-S334 PolarHBondContact NE2-OG 3.14Å; Q321-S334 VanDerWaalsContact O-CA 3.23Å; Q321-S334 WeakPolarHBondContact O-CA 3.49Å; S334-L341 CarbonylContact O-C 3.55Å; S334-L341 VanDerWaalsContact O-CA 3.28Å; S334-L341 WeakPolarHBondContact O-CA 3.29Å; S334-N342 PolarHBondContact N-O 3.05Å; S334-N342 PolarHBondContact O-N 3.09Å; S334-W344 PolarHBondContact OG-NE1 3.34Å
335S98.8Very high98.3Very high0 Ų021.6 Ų21.60%011%0.108CC..EExtended strand (participates in β ladder)trans-144.8160.4179.570.80000112.3F320 Q321 R340 I376 F379F320-S335 PolarHBondContact N-O 3.15Å; Q321-S335 PolarHBondContact N-O 2.86Å; Q321-S335 PolarHBondContact O-N 3.05Å; S335-R340 WeakPolarHBondContact CA-O 3.38Å; S335-I376 WeakPolarHBondContact OG-CG2 3.21Å; S335-F379 WeakPolarHBondContact OG-CD1 3.08Å
336G96.1Very high98.3Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-170.9-150.1-179.600000115.9E318 D338 R339 I376E318-G336 CarbonylContact O-C 3.49Å; E318-G336 WeakPolarHBondContact O-CA 3.45Å; G336-D338 VanDerWaalsContact C-N 3.3Å; G336-D338 PolarHBondContact O-N 3.16Å; G336-R339 PolarHBondContact O-N 2.87Å; G336-I376 PolarHBondContact O-N 3.39Å
337T98.2Very high98.2Very high35 Ų3525.3 Ų25.322%0.21513%0.131CC..THydrogen-bonded Turntrans-69.8-24.6-174.3-57.70000113.2D317 E318 F320 R339D317-T337 HydrophobicContact CB-CG2 4.39Å; E318-T337 PolarHBondContact O-N 2.92Å; F320-T337 VanDerWaalsContact CE2-OG1 3.27Å; F320-T337 WeakPolarHBondContact CE2-OG1 3.47Å; T337-R339 PolarHBondContact O-N 3.12Å
338D97.7Very high98.1Very high12 Ų1224.5 Ų24.56%0.06413%0.126CC..THydrogen-bonded Turntrans-71.41.6178.766.35.4000114.4H315 K316 D317 G336 R340H315-D338 VanDerWaalsContact CA-OD2 3.29Å; H315-D338 WeakPolarHBondContact CA-OD2 3.46Å; H315-D338 WeakPolarHBondContact CB-OD2 3.27Å; H315-D338 IonicContact CE1-OD2 2.66Å; H315-D338 IonicContact CG-OD2 2.94Å; H315-D338 IonicContact ND1-OD1 2.71Å; H315-D338 PolarHBondContact ND1-OD1 2.97Å; H315-D338 IonicContact ND1-OD2 2.71Å; H315-D338 PolarHBondContact ND1-OD2 2.97Å; K316-D338 HydrophobicContact CB-CB 4.04Å; K316-D338 PolarHBondContact N-OD2 3Å; D317-D338 HydrophobicContact CB-CB 3.79Å; G336-D338 VanDerWaalsContact C-N 3.3Å; G336-D338 PolarHBondContact O-N 3.16Å; D338-R340 PolarHBondContact O-N 3.44Å; D338-R340 PolarHBondContact OD1-N 3.29Å
339R98.1Very high98.1Very high39 Ų3924.7 Ų24.715%0.14713%0.127CC..SBendtrans6712.9178-42.4169.8-77.3-87.26.1113.1E12 G336 T337 T373 A374E12-R339 IonicContact OE1-CZ 2.74Å; E12-R339 IonicContact OE1-NH1 3.45Å; E12-R339 PolarHBondContact OE1-NH1 2.88Å; E12-R339 IonicContact OE1-NH2 2.83Å; G336-R339 PolarHBondContact O-N 2.87Å; T337-R339 PolarHBondContact O-N 3.12Å; R339-T373 VanDerWaalsContact CD-O 3.26Å; R339-T373 WeakPolarHBondContact CD-O 3.36Å; R339-A374 WeakPolarHBondContact CB-O 3.43Å; R339-A374 WeakPolarHBondContact CG-O 3.37Å
340R98.4Very high98Very high56 Ų5622.9 Ų22.921%0.21114%0.137CC..  trans-108.6144.5178.6-58.2-57.8178.9154.4-8.1110E19 S335 D338 I368 H369E19-R340 IonicContact OE2-CZ 3.85Å; E19-R340 IonicContact OE2-NH2 3.82Å; E19-R340 PolarHBondContact OE2-NH2 3.4Å; S335-R340 WeakPolarHBondContact CA-O 3.38Å; D338-R340 PolarHBondContact O-N 3.44Å; D338-R340 PolarHBondContact OD1-N 3.29Å; R340-I368 HydrophobicContact CB-CG2 4.06Å; R340-I368 HydrophobicContact CG-CG2 4.09Å; R340-H369 WeakPolarHBondContact CA-O 3.21Å
341L98.8Very high97.9Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-114113.8164.6-177.4162.8000107.4A333 S334 V343 H369 I376 F379 I389 W401A333-L341 HydrophobicContact CB-CD2 3.91Å; S334-L341 CarbonylContact O-C 3.55Å; S334-L341 VanDerWaalsContact O-CA 3.28Å; S334-L341 WeakPolarHBondContact O-CA 3.29Å; L341-V343 HydrophobicContact CD2-CG2 3.85Å; L341-H369 HydrophobicContact CB-CB 4.13Å; L341-H369 PolarHBondContact N-O 3.27Å; L341-H369 WeakPolarHBondContact O-CB 3.39Å; L341-H369 PolarHBondContact O-N 2.99Å; L341-I376 HydrophobicContact CB-CD1 3.93Å; L341-F379 HydrophobicContact CD1-CB 3.76Å; L341-F379 HydrophobicContact CD1-CD1 3.84Å; L341-F379 HydrophobicContact CD1-CD2 3.76Å; L341-F379 HydrophobicContact CD1-CE1 4.36Å; L341-F379 HydrophobicContact CD1-CE2 4.33Å; L341-F379 HydrophobicContact CD1-CG 3.5Å; L341-F379 VanDerWaalsContact CD1-CG 3.5Å; L341-I389 HydrophobicContact CD1-CG2 4.16Å; L341-I389 HydrophobicContact CD2-CD1 4.32Å; L341-W401 HydrophobicContact CD1-CZ2 4Å; L341-W401 HydrophobicContact CD2-CH2 3.81Å; L341-W401 HydrophobicContact CD2-CZ2 3.71Å; L341-W401 HydrophobicContact CG-CZ2 4.31Å
342N98.9Very high97.8Very high3 Ų335.8 Ų35.82%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-93.1134.2179.2-68.83.9000108.8S314 A333 S334 W344 L365 F367S314-N342 PolarHBondContact OG-ND2 2.69Å; A333-N342 CarbonylContact C-O 3.48Å; A333-N342 WeakPolarHBondContact CA-O 3.32Å; S334-N342 PolarHBondContact N-O 3.05Å; S334-N342 PolarHBondContact O-N 3.09Å; N342-W344 HydrophobicContact CB-CD2 4.47Å; N342-W344 HydrophobicContact CB-CH2 4.48Å; N342-W344 HydrophobicContact CB-CZ2 3.64Å; N342-W344 WeakPolarHBondContact ND2-CZ2 3.24Å; N342-L365 HydrophobicContact CB-CD1 3.92Å; N342-F367 CarbonylContact C-O 3.57Å; N342-F367 WeakPolarHBondContact CA-O 3.37Å
343V98.9Very high97.6Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-106.7132.2168.4-172.90000107.7I331 L332 A333 L341 L366 F367 W381 W387 I389 W401 M403I331-V343 HydrophobicContact CG2-CG1 3.71Å; L332-V343 WeakPolarHBondContact O-CA 3.42Å; A333-V343 HydrophobicContact CB-CG2 4.27Å; L341-V343 HydrophobicContact CD2-CG2 3.85Å; V343-L366 HydrophobicContact CG1-CD2 4.33Å; V343-L366 WeakPolarHBondContact O-CB 2.89Å; V343-L366 PolarHBondContact O-N 3.09Å; V343-F367 HydrophobicContact CB-CB 4.1Å; V343-F367 HydrophobicContact CG2-CB 4.38Å; V343-F367 PolarHBondContact N-O 2.93Å; V343-F367 PolarHBondContact O-N 2.78Å; V343-F367 VanDerWaalsContact O-N 3.11Å; V343-W381 HydrophobicContact CG1-CH2 4.02Å; V343-W381 HydrophobicContact CG1-CZ2 4.34Å; V343-W387 HydrophobicContact CG1-CZ3 4.43Å; V343-I389 HydrophobicContact CG2-CD1 4.42Å; V343-W401 HydrophobicContact CG2-CH2 4.24Å; V343-M403 HydrophobicContact CB-CE 3.88Å; V343-M403 HydrophobicContact CG1-CE 3.88Å; V343-M403 HydrophobicContact CG2-CE 3.65Å
344W98.8Very high97.4Very high0 Ų042.1 Ų42.10%023%0.23CC..EExtended strand (participates in β ladder)trans-119.4143.6-174.3-44.687000110.1F312 H315 I331 L332 S334 N342 P362 E364 L365F312-W344 HydrophobicContact CB-CD2 4.03Å; F312-W344 HydrophobicContact CB-CE3 3.9Å; F312-W344 HydrophobicContact CB-CH2 3.84Å; F312-W344 HydrophobicContact CB-CZ2 4.04Å; F312-W344 HydrophobicContact CB-CZ3 3.8Å; F312-W344 HydrophobicContact CD1-CB 4.12Å; F312-W344 AromaticContact CD1-CD2 3.93Å; F312-W344 HydrophobicContact CD1-CD2 3.93Å; F312-W344 AromaticContact CD1-CE3 3.72Å; F312-W344 HydrophobicContact CD1-CE3 3.72Å; F312-W344 HydrophobicContact CD1-CG 4.14Å; F312-W344 HydrophobicContact CD1-CZ3 4.35Å; F312-W344 HydrophobicContact CE1-CB 4.12Å; F312-W344 HydrophobicContact CG-CD2 4.22Å; F312-W344 HydrophobicContact CG-CE3 4.21Å; H315-W344 AromaticContact CD2-CZ2 3.9Å; I331-W344 WeakPolarHBondContact CA-O 3.42Å; L332-W344 HydrophobicContact CD1-CG 4.49Å; L332-W344 HydrophobicContact CD2-CB 3.93Å; L332-W344 HydrophobicContact CG-CB 3.94Å; L332-W344 HydrophobicContact CG-CG 4.2Å; L332-W344 PolarHBondContact N-O 2.87Å; L332-W344 VanDerWaalsContact N-O 3.11Å; L332-W344 PolarHBondContact O-N 3.27Å; S334-W344 PolarHBondContact OG-NE1 3.34Å; N342-W344 HydrophobicContact CB-CD2 4.47Å; N342-W344 HydrophobicContact CB-CH2 4.48Å; N342-W344 HydrophobicContact CB-CZ2 3.64Å; N342-W344 WeakPolarHBondContact ND2-CZ2 3.24Å; W344-P362 HydrophobicContact CZ3-CG 4.23Å; W344-E364 CarbonylContact C-O 3.57Å; W344-E364 WeakPolarHBondContact CA-O 3.47Å; W344-E364 HydrophobicContact CE3-CG 4.33Å; W344-L365 HydrophobicContact CD2-CD1 4.3Å; W344-L365 HydrophobicContact CE3-CB 4.13Å; W344-L365 HydrophobicContact CE3-CD1 3.85Å; W344-L365 HydrophobicContact CH2-CD1 4.12Å; W344-L365 HydrophobicContact CZ2-CD1 4.48Å; W344-L365 HydrophobicContact CZ3-CB 4.04Å; W344-L365 HydrophobicContact CZ3-CD1 3.77Å; W344-L365 HydrophobicContact CZ3-CG 4.42Å
345D98.5Very high97.2Very high14 Ų1446.7 Ų46.78%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-120.4109.6172.2-176.718.6000111.2T330 I331 S347 K348 E364 L366T330-D345 WeakPolarHBondContact CB-OD1 3.22Å; T330-D345 PolarHBondContact OG1-OD1 2.77Å; I331-D345 HydrophobicContact CD1-CB 3.59Å; I331-D345 WeakPolarHBondContact CD1-OD1 3.16Å; D345-S347 PolarHBondContact O-N 2.96Å; D345-S347 PolarHBondContact OD1-N 2.84Å; D345-S347 PolarHBondContact OD1-OG 2.89Å; D345-S347 PolarHBondContact OD2-OG 3.11Å; D345-K348 HydrophobicContact CB-CG 4.46Å; D345-K348 PolarHBondContact O-N 3.4Å; D345-E364 PolarHBondContact N-O 3.19Å; D345-E364 VanDerWaalsContact O-CB 3.27Å; D345-E364 WeakPolarHBondContact O-CB 3.49Å; D345-L366 HydrophobicContact CB-CB 4.31Å; D345-L366 HydrophobicContact CB-CD2 4.38Å
346L97.3Very high97Very high51 Ų5153.8 Ų53.827%0.26730%0.295SS..G310 helixtrans-68.1-17.4-177.972.480.7000113.6W324 T330 K348 I349W324-L346 HydrophobicContact CH2-CD2 3.86Å; W324-L346 HydrophobicContact CZ3-CD2 3.82Å; T330-L346 HydrophobicContact CG2-CD1 3.81Å; T330-L346 HydrophobicContact CG2-CG 4.06Å; T330-L346 VanDerWaalsContact O-CG 3.32Å; T330-L346 WeakPolarHBondContact O-CG 3.38Å; T330-L346 PolarHBondContact O-N 2.71Å; L346-K348 PolarHBondContact O-N 3.48Å; L346-I349 HydrophobicContact CB-CD1 3.77Å; L346-I349 HydrophobicContact CB-CG1 4.48Å; L346-I349 WeakPolarHBondContact O-CG1 3.2Å; L346-I349 PolarHBondContact O-N 2.98Å
347S97.3Very high96.8Very high70 Ų7057.5 Ų57.549%0.4932%0.315SS..G310 helixtrans-66.9-24.2175.623.10000113D345 I349D345-S347 PolarHBondContact O-N 2.96Å; D345-S347 PolarHBondContact OD1-N 2.84Å; D345-S347 PolarHBondContact OD1-OG 2.89Å; D345-S347 PolarHBondContact OD2-OG 3.11Å; S347-I349 VanDerWaalsContact C-N 3.33Å
348K96.6Very high96.6Very high35 Ų3558.7 Ų58.715%0.15233%0.328CS..G310 helixtrans-88.71.2-178.8-56.5-168.8177.8-162.80113.4D345 L346 G350 E351 P363 D410D345-K348 HydrophobicContact CB-CG 4.46Å; D345-K348 PolarHBondContact O-N 3.4Å; L346-K348 PolarHBondContact O-N 3.48Å; K348-G350 PolarHBondContact O-N 2.79Å; K348-G350 VanDerWaalsContact O-N 3.13Å; K348-E351 HydrophobicContact CB-CG 4.34Å; K348-E351 WeakPolarHBondContact O-CB 3.24Å; K348-E351 WeakPolarHBondContact O-CG 3.48Å; K348-E351 PolarHBondContact O-N 3.34Å; K348-E351 VanDerWaalsContact O-N 3.11Å; K348-P363 WeakPolarHBondContact CB-O 3.46Å; K348-P363 WeakPolarHBondContact O-CB 3.18Å; K348-P363 WeakPolarHBondContact O-CG 3.43Å; K348-D410 IonicContact NZ-OD2 3.61Å; K348-D410 PolarHBondContact NZ-OD2 3.05Å
349I97.5Very high96.4Very high62 Ų6266.3 Ų66.332%0.31836%0.364SS..THydrogen-bonded Turntrans-60.7120.5178-67170.5000109.9H310 F312 L346 S347 E364H310-I349 HydrophobicContact CB-CD1 4.37Å; F312-I349 HydrophobicContact CE1-CD1 4.14Å; F312-I349 HydrophobicContact CZ-CD1 4.26Å; L346-I349 HydrophobicContact CB-CD1 3.77Å; L346-I349 HydrophobicContact CB-CG1 4.48Å; L346-I349 WeakPolarHBondContact O-CG1 3.2Å; L346-I349 PolarHBondContact O-N 2.98Å; S347-I349 VanDerWaalsContact C-N 3.33Å; I349-E364 HydrophobicContact CG1-CB 3.66Å; I349-E364 HydrophobicContact CG1-CG 4Å
350G95.8Very high96.2Very high68 Ų6870.8 Ų70.870%0.70139%0.391SS*.THydrogen-bonded Turntrans83.310177.700000114.9K348K348-G350 PolarHBondContact O-N 2.79Å; K348-G350 VanDerWaalsContact O-N 3.13Å
351E95.9Very high96.1Very high106 Ų10668.9 Ų68.950%0.49539%0.388SS..  trans-63.4147.2168-71.2-175.1174.700111.5K348 P363K348-E351 HydrophobicContact CB-CG 4.34Å; K348-E351 WeakPolarHBondContact O-CB 3.24Å; K348-E351 WeakPolarHBondContact O-CG 3.48Å; K348-E351 PolarHBondContact O-N 3.34Å; K348-E351 VanDerWaalsContact O-N 3.11Å; E351-P363 HydrophobicContact CB-CB 4.04Å
352E95.5Very high96Very high201 Ų20170.4 Ų70.494%0.93940%0.398SS*.  trans-78128176-66.5-175.3174.500109.8
353Q94.8Very high95.9Very high78 Ų7871.3 Ų71.336%0.36440%0.404SS..  trans-114.5156.5177.3-74.9179.4-58.900111.5D357 G361 P363Q353-D357 HydrophobicContact CB-CB 4.15Å; Q353-D357 HydrophobicContact CG-CB 4.38Å; Q353-G361 PolarHBondContact OE1-O 3.44Å; Q353-P363 VanDerWaalsContact CD-CA 3.47Å; Q353-P363 HydrophobicContact CG-CB 3.89Å; Q353-P363 VanDerWaalsContact OE1-N 3.13Å
354S95.6Very high95.9Very high54 Ų5471.8 Ų71.838%0.37841%0.407SS..  trans-66.4163.4166.881.40000110.3E356 D357 A358S354-E356 PolarHBondContact O-N 3.31Å; S354-E356 PolarHBondContact OG-N 2.79Å; S354-D357 VanDerWaalsContact CB-OD2 3.31Å; S354-D357 WeakPolarHBondContact CB-OD2 3.3Å; S354-D357 PolarHBondContact N-OD2 2.86Å; S354-D357 PolarHBondContact O-N 3.26Å; S354-D357 PolarHBondContact OG-N 3.13Å; S354-D357 PolarHBondContact OG-OD2 3.3Å; S354-A358 WeakPolarHBondContact O-CB 3.38Å; S354-A358 PolarHBondContact O-N 3.43Å; S354-A358 VanDerWaalsContact O-N 3.08Å
355S93.8Very high95.9Very high97 Ų9773.1 Ų73.168%0.67841%0.414SS*.THydrogen-bonded Turntrans-64.7-26.4175.253.60000112.9
356E94.8Very high95.9Very high148 Ų14873.7 Ų73.769%0.69242%0.416SS*.THydrogen-bonded Turntrans-73.1-47.2178.1-64.5178.5-177.400109.8S354 A358 E359S354-E356 PolarHBondContact O-N 3.31Å; S354-E356 PolarHBondContact OG-N 2.79Å; E356-A358 VanDerWaalsContact C-N 3.3Å; E356-A358 PolarHBondContact O-N 3.09Å; E356-E359 WeakPolarHBondContact O-CB 3.31Å; E356-E359 PolarHBondContact O-N 2.93Å; E356-E359 VanDerWaalsContact O-N 3.1Å
357D92.6Very high95.9Very high79 Ų7971.9 Ų71.942%0.42241%0.406SS..Hα-helixtrans-65-35.1178.5-52-51.8000112.2Q353 S354 E359 D360 G361Q353-D357 HydrophobicContact CB-CB 4.15Å; Q353-D357 HydrophobicContact CG-CB 4.38Å; S354-D357 VanDerWaalsContact CB-OD2 3.31Å; S354-D357 WeakPolarHBondContact CB-OD2 3.3Å; S354-D357 PolarHBondContact N-OD2 2.86Å; S354-D357 PolarHBondContact O-N 3.26Å; S354-D357 PolarHBondContact OG-N 3.13Å; S354-D357 PolarHBondContact OG-OD2 3.3Å; D357-E359 PolarHBondContact O-N 3.43Å; D357-D360 WeakPolarHBondContact O-CB 3.36Å; D357-D360 PolarHBondContact O-N 3.3Å; D357-G361 PolarHBondContact O-N 3.42Å
358A93.3Very high96Very high59 Ų5971.6 Ų71.649%0.48840%0.399SS..Hα-helixtrans-68.1-18.6176.800000113.5S354 E356S354-A358 WeakPolarHBondContact O-CB 3.38Å; S354-A358 PolarHBondContact O-N 3.43Å; S354-A358 VanDerWaalsContact O-N 3.08Å; E356-A358 VanDerWaalsContact C-N 3.3Å; E356-A358 PolarHBondContact O-N 3.09Å
359E94.1Very high96.1Very high172 Ų17270 Ų7080%0.80439%0.392SS*.Hα-helixtrans-75.8-27.4170.6-73.3-176178.900112E356 D357E356-E359 WeakPolarHBondContact O-CB 3.31Å; E356-E359 PolarHBondContact O-N 2.93Å; E356-E359 VanDerWaalsContact O-N 3.1Å; D357-E359 PolarHBondContact O-N 3.43Å
360D93Very high96.1Very high133 Ų13367.2 Ų67.271%0.71138%0.379SS*.Hα-helixtrans-81.1-31.6179.2-71.8-30.6000112.6D357D357-D360 WeakPolarHBondContact O-CB 3.36Å; D357-D360 PolarHBondContact O-N 3.3Å
361G95.6Very high96.1Very high16 Ų1664 Ų6417%0.16535%0.346CS..  trans162.3-179.9175.900000113.7Q353 D357Q353-G361 PolarHBondContact OE1-O 3.44Å; D357-G361 PolarHBondContact O-N 3.42Å
362P97.8Very high96.2Very high32 Ų3259.3 Ų59.321%0.20832%0.324CS..  trans-70.3159.9175.734.2-38000111.4E313 W344 E364 L365E313-P362 WeakPolarHBondContact O-CD 3.47Å; E313-P362 WeakPolarHBondContact O-CG 3.43Å; W344-P362 HydrophobicContact CZ3-CG 4.23Å; P362-E364 WeakPolarHBondContact CB-OE1 3.45Å; P362-E364 PolarHBondContact O-N 3.33Å; P362-L365 HydrophobicContact CG-CB 4.13Å; P362-L365 WeakPolarHBondContact O-CB 3.3Å; P362-L365 PolarHBondContact O-N 2.93Å
363P97.5Very high96.2Very high22 Ų2251.7 Ų51.714%0.14329%0.291CS..THydrogen-bonded Turntrans-64.7-28-173.524.8-32.3000113.8K348 E351 Q353 L365K348-P363 WeakPolarHBondContact CB-O 3.46Å; K348-P363 WeakPolarHBondContact O-CB 3.18Å; K348-P363 WeakPolarHBondContact O-CG 3.43Å; E351-P363 HydrophobicContact CB-CB 4.04Å; Q353-P363 VanDerWaalsContact CD-CA 3.47Å; Q353-P363 HydrophobicContact CG-CB 3.89Å; Q353-P363 VanDerWaalsContact OE1-N 3.13Å; P363-L365 PolarHBondContact O-N 2.82Å
364E98.1Very high96.4Very high10 Ų1049 Ų495%0.04728%0.282CS..THydrogen-bonded Turntrans-75.8-5175.668.1-85.4-166.400114.4H310 F312 W344 D345 I349 P362 L366H310-E364 IonicContact CD2-OE1 3.75Å; H310-E364 IonicContact CE1-OE1 2.69Å; H310-E364 IonicContact NE2-OE1 3.85Å; H310-E364 PolarHBondContact NE2-OE1 3.41Å; F312-E364 HydrophobicContact CD1-CG 3.6Å; F312-E364 HydrophobicContact CE1-CB 4.35Å; F312-E364 HydrophobicContact CE1-CG 3.79Å; W344-E364 CarbonylContact C-O 3.57Å; W344-E364 WeakPolarHBondContact CA-O 3.47Å; W344-E364 HydrophobicContact CE3-CG 4.33Å; D345-E364 PolarHBondContact N-O 3.19Å; D345-E364 VanDerWaalsContact O-CB 3.27Å; D345-E364 WeakPolarHBondContact O-CB 3.49Å; I349-E364 HydrophobicContact CG1-CB 3.66Å; I349-E364 HydrophobicContact CG1-CG 4Å; P362-E364 WeakPolarHBondContact CB-OE1 3.45Å; P362-E364 PolarHBondContact O-N 3.33Å; E364-L366 PolarHBondContact O-N 2.65Å
365L98.5Very high96.5Very high29 Ų2948.8 Ų48.815%0.15227%0.274CS..EExtended strand (participates in β ladder)trans-80.698.1173.3-179.462000109.9S314 N342 W344 P362 P363 I368S314-L365 WeakPolarHBondContact OG-CD2 3.31Å; N342-L365 HydrophobicContact CB-CD1 3.92Å; W344-L365 HydrophobicContact CD2-CD1 4.3Å; W344-L365 HydrophobicContact CE3-CB 4.13Å; W344-L365 HydrophobicContact CE3-CD1 3.85Å; W344-L365 HydrophobicContact CH2-CD1 4.12Å; W344-L365 HydrophobicContact CZ2-CD1 4.48Å; W344-L365 HydrophobicContact CZ3-CB 4.04Å; W344-L365 HydrophobicContact CZ3-CD1 3.77Å; W344-L365 HydrophobicContact CZ3-CG 4.42Å; P362-L365 HydrophobicContact CG-CB 4.13Å; P362-L365 WeakPolarHBondContact O-CB 3.3Å; P362-L365 PolarHBondContact O-N 2.93Å; P363-L365 PolarHBondContact O-N 2.82Å; L365-I368 HydrophobicContact CD1-CG1 4.12Å; L365-I368 HydrophobicContact CD2-CD1 3.91Å; L365-I368 HydrophobicContact CD2-CG1 4.07Å; L365-I368 HydrophobicContact CG-CG1 4.31Å
366L98Very high96.7Very high25 Ų2544.1 Ų44.113%0.13124%0.242CC..EExtended strand (participates in β ladder)trans-78.3-43.4-175.3-177.165.2000112.6I331 V343 D345 E364 W387 M403 I407I331-L366 HydrophobicContact CD1-CD2 4.13Å; V343-L366 HydrophobicContact CG1-CD2 4.33Å; V343-L366 WeakPolarHBondContact O-CB 2.89Å; V343-L366 PolarHBondContact O-N 3.09Å; D345-L366 HydrophobicContact CB-CB 4.31Å; D345-L366 HydrophobicContact CB-CD2 4.38Å; E364-L366 PolarHBondContact O-N 2.65Å; L366-W387 HydrophobicContact CD2-CH2 4.03Å; L366-W387 HydrophobicContact CD2-CZ3 3.95Å; L366-M403 HydrophobicContact CD2-SD 4.34Å; L366-I407 HydrophobicContact CD1-CG2 4.2Å; L366-I407 WeakPolarHBondContact CD1-O 3.22Å; L366-I407 HydrophobicContact CG-CG2 4.3Å
367F98.6Very high96.9Very high13 Ų1338 Ų386%0.05722%0.215CC..EExtended strand (participates in β ladder)trans-154.1145.2-173.7-169.8-105.3000112.4L30 Y31 N342 V343 H369 W401 M403 I407L30-F367 HydrophobicContact CB-CE2 4.17Å; L30-F367 HydrophobicContact CB-CZ 4.28Å; L30-F367 HydrophobicContact CD2-CE2 4.31Å; Y31-F367 HydrophobicContact CD1-CZ 4.15Å; Y31-F367 AromaticContact CE1-CE1 3.63Å; Y31-F367 HydrophobicContact CE1-CE1 3.63Å; Y31-F367 AromaticContact CE1-CZ 3.49Å; Y31-F367 HydrophobicContact CE1-CZ 3.49Å; Y31-F367 VanDerWaalsContact CE1-CZ 3.49Å; Y31-F367 HydrophobicContact CE2-CZ 4.03Å; Y31-F367 AromaticContact CZ-CE1 3.77Å; Y31-F367 AromaticContact CZ-CZ 3.4Å; Y31-F367 WeakPolarHBondContact OH-CE1 3.14Å; Y31-F367 WeakPolarHBondContact OH-CZ 3.07Å; N342-F367 CarbonylContact C-O 3.57Å; N342-F367 WeakPolarHBondContact CA-O 3.37Å; V343-F367 HydrophobicContact CB-CB 4.1Å; V343-F367 HydrophobicContact CG2-CB 4.38Å; V343-F367 PolarHBondContact N-O 2.93Å; V343-F367 PolarHBondContact O-N 2.78Å; V343-F367 VanDerWaalsContact O-N 3.11Å; F367-H369 HydrophobicContact CD1-CB 4.36Å; F367-H369 HydrophobicContact CE1-CB 4.01Å; F367-W401 HydrophobicContact CD1-CH2 4.32Å; F367-W401 HydrophobicContact CD1-CZ3 4.01Å; F367-W401 HydrophobicContact CE1-CE3 4.38Å; F367-W401 HydrophobicContact CE1-CH2 4.29Å; F367-W401 AromaticContact CE1-CZ3 3.72Å; F367-W401 HydrophobicContact CE1-CZ3 3.72Å; F367-M403 HydrophobicContact CB-CE 3.83Å; F367-M403 HydrophobicContact CB-SD 4.21Å; F367-M403 HydrophobicContact CD1-CB 4.33Å; F367-M403 HydrophobicContact CD1-CE 4.14Å; F367-M403 HydrophobicContact CD2-CB 4.25Å; F367-M403 HydrophobicContact CE1-CB 4.22Å; F367-M403 HydrophobicContact CE2-CB 4.13Å; F367-M403 HydrophobicContact CG-CB 4.33Å; F367-M403 HydrophobicContact CG-CE 4.07Å; F367-M403 HydrophobicContact CG-SD 4.39Å; F367-M403 HydrophobicContact CZ-CB 4.09Å; F367-I407 HydrophobicContact CD2-CD1 3.72Å; F367-I407 HydrophobicContact CD2-CG2 4.29Å; F367-I407 HydrophobicContact CE2-CD1 3.58Å
368I98.6Very high97.2Very high65 Ų6534.3 Ų34.333%0.33320%0.196SC..EExtended strand (participates in β ladder)trans-118.8109.7170.7-55.2177.7000109R340 L365 G370R340-I368 HydrophobicContact CB-CG2 4.06Å; R340-I368 HydrophobicContact CG-CG2 4.09Å; L365-I368 HydrophobicContact CD1-CG1 4.12Å; L365-I368 HydrophobicContact CD2-CD1 3.91Å; L365-I368 HydrophobicContact CD2-CG1 4.07Å; L365-I368 HydrophobicContact CG-CG1 4.31Å; I368-G370 PolarHBondContact O-N 3.19Å
369H98.6Very high97.5Very high0 Ų031.6 Ų31.60%017%0.173CC..EExtended strand (participates in β ladder)trans-76.5121.6169.617770.3000110.5Y31 R340 L341 F367 G371 H372 Q399 W401Y31-H369 AromaticContact CE1-ND1 3.55Å; Y31-H369 AromaticContact CZ-ND1 3.62Å; Y31-H369 PolarHBondContact OH-ND1 3.25Å; R340-H369 WeakPolarHBondContact CA-O 3.21Å; L341-H369 HydrophobicContact CB-CB 4.13Å; L341-H369 PolarHBondContact N-O 3.27Å; L341-H369 WeakPolarHBondContact O-CB 3.39Å; L341-H369 PolarHBondContact O-N 2.99Å; F367-H369 HydrophobicContact CD1-CB 4.36Å; F367-H369 HydrophobicContact CE1-CB 4.01Å; H369-G371 PolarHBondContact NE2-N 3.14Å; H369-H372 AromaticContact CD2-CD2 3.74Å; H369-H372 AromaticContact NE2-CD2 3.41Å; H369-H372 PolarHBondContact NE2-CD2 3.42Å; H369-H372 AromaticContact NE2-NE2 3.84Å; H369-Q399 PolarHBondContact CE1-OE1 3.38Å; H369-Q399 PolarHBondContact NE2-OE1 2.57Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.1Å; H369-W401 HydrophobicContact CB-CH2 3.65Å; H369-W401 HydrophobicContact CB-CZ2 3.61Å; H369-W401 HydrophobicContact CB-CZ3 4.23Å; H369-W401 AromaticContact CD2-CE2 3.95Å; H369-W401 AromaticContact CD2-NE1 3.87Å; H369-W401 AromaticContact CE1-CD1 3.76Å; H369-W401 AromaticContact CE1-CE2 3.97Å; H369-W401 AromaticContact CE1-CG 3.92Å; H369-W401 AromaticContact CE1-NE1 3.78Å; H369-W401 AromaticContact CG-CE2 3.63Å; H369-W401 AromaticContact CG-CZ2 3.62Å; H369-W401 AromaticContact CG-NE1 3.99Å; H369-W401 AromaticContact ND1-CD2 3.69Å; H369-W401 AromaticContact ND1-CE2 3.67Å; H369-W401 AromaticContact ND1-NE1 3.95Å; H369-W401 AromaticContact NE2-NE1 3.78Å
370G97.4Very high97.7Very high4 Ų424.2 Ų24.24%0.04114%0.14CC..  trans-116.520.5-174.700000115.1I368I368-G370 PolarHBondContact O-N 3.19Å
371G95.1Very high98Very high1 Ų118.5 Ų18.51%0.0111%0.109CC..  trans-81.5-18.6-172.500000114.9Y20 W23 H369 Q399Y20-G371 VanDerWaalsContact CE2-O 3.3Å; Y20-G371 WeakPolarHBondContact CE2-O 3.19Å; W23-G371 VanDerWaalsContact CE2-CA 3.42Å; W23-G371 VanDerWaalsContact CZ2-CA 3.4Å; H369-G371 PolarHBondContact NE2-N 3.14Å; G371-Q399 PolarHBondContact O-NE2 3.42Å
372H98.1Very high98.1Very high8 Ų817.8 Ų17.84%0.03710%0.101CC..  trans-90142.3-178.7-69.8-84.3000112.2H369 I376 S391 S393H369-H372 AromaticContact CD2-CD2 3.74Å; H369-H372 AromaticContact NE2-CD2 3.41Å; H369-H372 PolarHBondContact NE2-CD2 3.42Å; H369-H372 AromaticContact NE2-NE2 3.84Å; H372-I376 HydrophobicContact CB-CD1 4.24Å; H372-I376 HydrophobicContact CB-CG1 3.93Å; H372-S391 PolarHBondContact CE1-O 3.36Å; H372-S391 WeakPolarHBondContact NE2-CB 3.24Å; H372-S391 PolarHBondContact NE2-OG 3.38Å; H372-S393 VanDerWaalsContact ND1-CB 3.33Å; H372-S393 WeakPolarHBondContact ND1-CB 3.33Å; H372-S393 PolarHBondContact ND1-OG 3.18Å
373T97.2Very high98.1Very high41 Ų4118.3 Ų18.325%0.25210%0.104SC..SBendtrans-106-4.9178.340.60000113.6I16 Y20 R339 D395I16-T373 HydrophobicContact CG2-CG2 3.67Å; Y20-T373 HydrophobicContact CD2-CG2 3.84Å; Y20-T373 HydrophobicContact CG-CG2 3.83Å; R339-T373 VanDerWaalsContact CD-O 3.26Å; R339-T373 WeakPolarHBondContact CD-O 3.36Å; T373-D395 PolarHBondContact OG1-OD2 3.11Å
374A97.8Very high98.1Very high20 Ų2020.2 Ų20.217%0.16511%0.113CC..SBendtrans-131.9173.7172.400000110.9R339 I376 E394 D395R339-A374 WeakPolarHBondContact CB-O 3.43Å; R339-A374 WeakPolarHBondContact CG-O 3.37Å; A374-I376 PolarHBondContact O-N 3.12Å; A374-E394 HydrophobicContact CB-CB 4.37Å; A374-D395 HydrophobicContact CB-CB 3.66Å; A374-D395 VanDerWaalsContact CB-CG 3.41Å; A374-D395 PolarHBondContact N-OD2 3Å
375K98.3Very high98Very high50 Ų5020.8 Ų20.822%0.21712%0.116CC..  trans-51.9133.6177.5168.1173.2171.7-1740110.3F320 S393 E394F320-K375 VanDerWaalsContact CD2-CE 3.47Å; F320-K375 VanDerWaalsContact CE2-NZ 3.27Å; F320-K375 VanDerWaalsContact CZ-NZ 3.34Å; K375-S393 VanDerWaalsContact O-CA 3.22Å; K375-S393 WeakPolarHBondContact O-CA 3.46Å; K375-S393 WeakPolarHBondContact O-CB 3.34Å; K375-E394 HydrophobicContact CB-CG 4.32Å; K375-E394 WeakPolarHBondContact CD-OE1 3.45Å; K375-E394 PolarHBondContact O-N 3.21Å; K375-E394 VanDerWaalsContact O-N 3.13Å
376I98.8Very high97.8Very high0 Ų022 Ų220%013%0.125CC..EExtended strand (participates in β ladder)trans-82.2120.1175.2-60.8173.7000107.7S335 G336 L341 H372 A374S335-I376 WeakPolarHBondContact OG-CG2 3.21Å; G336-I376 PolarHBondContact O-N 3.39Å; L341-I376 HydrophobicContact CB-CD1 3.93Å; H372-I376 HydrophobicContact CB-CD1 4.24Å; H372-I376 HydrophobicContact CB-CG1 3.93Å; A374-I376 PolarHBondContact O-N 3.12Å
377S98.6Very high97.8Very high20 Ų2021.7 Ų21.714%0.1412%0.122CC..EExtended strand (participates in β ladder)trans-84.4-42.2-175.8-51.50000112.3V392S377-V392 PolarHBondContact N-O 3.27Å
378D98.9Very high97.7Very high1 Ų121.1 Ų21.11%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-156.6159.2179.7-158.412.3000109.7T45 V46 R130 Q321 V392T45-D378 WeakPolarHBondContact CA-OD2 3.09Å; T45-D378 PolarHBondContact OG1-OD2 2.91Å; V46-D378 HydrophobicContact CG1-CB 4.14Å; V46-D378 PolarHBondContact N-OD2 3.23Å; R130-D378 IonicContact CZ-OD2 2.7Å; R130-D378 IonicContact NH1-OD2 3.32Å; R130-D378 PolarHBondContact NH1-OD2 3.23Å; R130-D378 VanDerWaalsContact NH1-OD2 3.1Å; R130-D378 IonicContact NH2-OD1 2.73Å; R130-D378 PolarHBondContact NH2-OD1 3.39Å; R130-D378 IonicContact NH2-OD2 3.84Å; R130-D378 PolarHBondContact NH2-OD2 3.24Å; Q321-D378 PolarHBondContact NE2-OD1 3.11Å; D378-V392 HydrophobicContact CB-CG2 4.18Å; D378-V392 WeakPolarHBondContact O-CG2 3.41Å; D378-V392 PolarHBondContact O-N 2.92Å
379F98.9Very high97.8Very high2 Ų218 Ų181%0.00910%0.104CC..EExtended strand (participates in β ladder)trans-148.8159.5170.875.9-86.9000111.2V46 Q321 Q323 A333 S335 L341 I389 C390V46-F379 VanDerWaalsContact CG1-CA 3.49Å; Q321-F379 HydrophobicContact CB-CD1 3.93Å; Q321-F379 HydrophobicContact CB-CE1 3.73Å; Q321-F379 HydrophobicContact CG-CD1 3.59Å; Q321-F379 HydrophobicContact CG-CE1 3.4Å; Q321-F379 HydrophobicContact CG-CZ 4.2Å; Q323-F379 HydrophobicContact CB-CE2 3.74Å; Q323-F379 HydrophobicContact CB-CZ 3.78Å; Q323-F379 HydrophobicContact CG-CE2 4.09Å; Q323-F379 HydrophobicContact CG-CZ 4Å; A333-F379 HydrophobicContact CB-CE2 3.61Å; A333-F379 HydrophobicContact CB-CZ 3.71Å; A333-F379 WeakPolarHBondContact O-CZ 3.35Å; S335-F379 WeakPolarHBondContact OG-CD1 3.08Å; L341-F379 HydrophobicContact CD1-CB 3.76Å; L341-F379 HydrophobicContact CD1-CD1 3.84Å; L341-F379 HydrophobicContact CD1-CD2 3.76Å; L341-F379 HydrophobicContact CD1-CE1 4.36Å; L341-F379 HydrophobicContact CD1-CE2 4.33Å; L341-F379 HydrophobicContact CD1-CG 3.5Å; L341-F379 VanDerWaalsContact CD1-CG 3.5Å; F379-I389 HydrophobicContact CB-CG2 4.3Å; F379-I389 HydrophobicContact CD2-CG2 4.11Å; F379-C390 CarbonylContact C-O 3.46Å; F379-C390 WeakPolarHBondContact CA-O 3.32Å; F379-C390 WeakPolarHBondContact CB-O 3.49Å
380S98.9Very high97.8Very high17 Ų1718 Ų1812%0.11910%0.104CC..EExtended strand (participates in β ladder)trans-144.4127.4-178.1-173.40000111W48 C390W48-S380 VanDerWaalsContact CD1-O 3.26Å; W48-S380 PolarHBondContact N-OG 3.1Å; W48-S380 PolarHBondContact NE1-O 2.87Å; S380-C390 PolarHBondContact N-O 3.04Å; S380-C390 PolarHBondContact O-N 3.16Å
381W98.9Very high97.8Very high13 Ų1317.9 Ų17.95%0.04910%0.102CC..EExtended strand (participates in β ladder)trans-65.5135.4164.5-66.6100.2000110.2Q323 W324 P326 I331 A333 V343 P383 W387 I389Q323-W381 PolarHBondContact O-NE1 3.33Å; Q323-W381 VanDerWaalsContact O-NE1 3.11Å; W324-W381 VanDerWaalsContact O-CD1 3.28Å; P326-W381 VanDerWaalsContact CD-CB 3.42Å; P326-W381 HydrophobicContact CG-CB 3.85Å; I331-W381 HydrophobicContact CG2-CH2 3.81Å; I331-W381 HydrophobicContact CG2-CZ2 3.98Å; A333-W381 HydrophobicContact CB-CZ2 3.59Å; V343-W381 HydrophobicContact CG1-CH2 4.02Å; V343-W381 HydrophobicContact CG1-CZ2 4.34Å; W381-P383 WeakPolarHBondContact O-CD 3.46Å; W381-W387 HydrophobicContact CH2-CE3 4.31Å; W381-W387 HydrophobicContact CZ3-CE3 4.21Å; W381-I389 HydrophobicContact CD2-CD1 4.09Å; W381-I389 HydrophobicContact CD2-CG1 3.81Å; W381-I389 HydrophobicContact CE3-CD1 3.82Å; W381-I389 HydrophobicContact CE3-CG1 3.48Å; W381-I389 VanDerWaalsContact CE3-CG1 3.48Å; W381-I389 HydrophobicContact CG-CG1 4.46Å; W381-I389 HydrophobicContact CH2-CD1 3.71Å; W381-I389 HydrophobicContact CH2-CG1 4.34Å; W381-I389 HydrophobicContact CZ2-CD1 3.98Å; W381-I389 HydrophobicContact CZ3-CD1 3.61Å; W381-I389 HydrophobicContact CZ3-CG1 3.77Å
382N98.6Very high98Very high0 Ų017.8 Ų17.80%010%0.102CC..  trans-67.9126.2169.9-171.2-41.6000108.1W48 H63 H327 N384 E385 V388W48-N382 VanDerWaalsContact CD1-CA 3.42Å; W48-N382 HydrophobicContact CD2-CB 4.12Å; W48-N382 HydrophobicContact CG-CB 4.25Å; W48-N382 HydrophobicContact CZ2-CB 4.29Å; H63-N382 PolarHBondContact ND1-ND2 3.33Å; H327-N382 PolarHBondContact CE1-O 2.83Å; N382-N384 VanDerWaalsContact C-N 3.26Å; N382-N384 PolarHBondContact O-N 2.95Å; N382-N384 PolarHBondContact OD1-N 3.23Å; N382-E385 PolarHBondContact OD1-N 2.96Å; N382-E385 VanDerWaalsContact OD1-N 3.1Å; N382-V388 HydrophobicContact CB-CB 3.82Å; N382-V388 HydrophobicContact CB-CG1 4.04Å; N382-V388 WeakPolarHBondContact CB-O 3.19Å; N382-V388 PolarHBondContact N-O 3.19Å
383P97.6Very high98Very high43 Ų4317.5 Ų17.528%0.27910%0.101SC..SBendtrans-77-12.8-178.927.7-32.7000113.5W48 H327 W381W48-P383 VanDerWaalsContact CB-CD 3.49Å; W48-P383 HydrophobicContact CB-CG 4.35Å; H327-P383 PolarHBondContact NE2-O 3.01Å; W381-P383 WeakPolarHBondContact O-CD 3.46Å
384N96.5Very high98Very high62 Ų6219.9 Ų19.933%0.33211%0.109SC..SBendtrans-110.9-32.7-172.5-67.1-78.3000113.6P50 V52 N382P50-N384 PolarHBondContact O-ND2 2.9Å; V52-N384 HydrophobicContact CG2-CB 3.61Å; V52-N384 WeakPolarHBondContact CG2-ND2 3.44Å; N382-N384 VanDerWaalsContact C-N 3.26Å; N382-N384 PolarHBondContact O-N 2.95Å; N382-N384 PolarHBondContact OD1-N 3.23Å
385E95.5Very high98Very high22 Ų2221.2 Ų21.210%0.10311%0.113CC..SBendtrans-111.4112.2178.2-58.3-57.1152.500109R54 H63 N382 V388R54-E385 IonicContact CZ-OE1 3.46Å; R54-E385 IonicContact NH1-OE1 3.19Å; R54-E385 PolarHBondContact NH1-OE1 3.05Å; R54-E385 IonicContact NH2-OE1 2.82Å; R54-E385 PolarHBondContact NH2-OE1 2.87Å; H63-E385 IonicContact NE2-OE1 2.73Å; N382-E385 PolarHBondContact OD1-N 2.96Å; N382-E385 VanDerWaalsContact OD1-N 3.1Å; E385-V388 HydrophobicContact CB-CB 4.27Å; E385-V388 HydrophobicContact CB-CG2 3.77Å; E385-V388 PolarHBondContact O-N 3.44Å
386P95.9Very high97.9Very high54 Ų5421 Ų2135%0.35112%0.115SC..THydrogen-bonded Turntrans-56144.8-179-26.635.7000113.4H327 V388 Q402H327-P386 WeakPolarHBondContact ND1-CA 3.2Å; P386-V388 PolarHBondContact O-N 3.01Å; P386-Q402 PolarHBondContact O-NE2 3.23Å
387W96.8Very high97.9Very high19 Ų1922.1 Ų22.17%0.07212%0.12CC..THydrogen-bonded Turntrans64.6-3177.2-53.8100.5000116.6I331 V343 L366 W381 Q402 M403 Y408I331-W387 HydrophobicContact CB-CH2 4.48Å; I331-W387 HydrophobicContact CD1-CH2 3.72Å; I331-W387 HydrophobicContact CD1-CZ3 4.32Å; I331-W387 HydrophobicContact CG1-CH2 3.62Å; I331-W387 HydrophobicContact CG1-CZ2 4.36Å; I331-W387 HydrophobicContact CG1-CZ3 4.21Å; I331-W387 HydrophobicContact CG2-CH2 4.17Å; I331-W387 HydrophobicContact CG2-CZ3 3.87Å; V343-W387 HydrophobicContact CG1-CZ3 4.43Å; L366-W387 HydrophobicContact CD2-CH2 4.03Å; L366-W387 HydrophobicContact CD2-CZ3 3.95Å; W381-W387 HydrophobicContact CH2-CE3 4.31Å; W381-W387 HydrophobicContact CZ3-CE3 4.21Å; W387-Q402 HydrophobicContact CB-CG 3.99Å; W387-M403 HydrophobicContact CE3-CE 3.86Å; W387-M403 HydrophobicContact CE3-CG 4.39Å; W387-M403 HydrophobicContact CE3-SD 3.89Å; W387-M403 HydrophobicContact CZ3-CE 4.04Å; W387-M403 HydrophobicContact CZ3-SD 4Å; W387-Y408 HydrophobicContact CB-CE1 4.33Å; W387-Y408 AromaticContact CD1-CE1 3.94Å; W387-Y408 AromaticContact CD1-CE2 3.67Å; W387-Y408 AromaticContact CD1-CZ 3.5Å; W387-Y408 VanDerWaalsContact CD1-CZ 3.5Å; W387-Y408 AromaticContact CD2-CD1 3.98Å; W387-Y408 HydrophobicContact CD2-CD1 3.98Å; W387-Y408 HydrophobicContact CD2-CD2 4.38Å; W387-Y408 HydrophobicContact CD2-CE1 4.08Å; W387-Y408 HydrophobicContact CD2-CE2 4.49Å; W387-Y408 HydrophobicContact CD2-CG 4.11Å; W387-Y408 AromaticContact CE2-CD2 3.63Å; W387-Y408 AromaticContact CE2-CE2 3.91Å; W387-Y408 AromaticContact CE2-CG 3.68Å; W387-Y408 HydrophobicContact CE3-CD1 4.27Å; W387-Y408 HydrophobicContact CE3-CG 4.49Å; W387-Y408 HydrophobicContact CG-CD1 4.28Å; W387-Y408 AromaticContact CG-CE1 3.88Å; W387-Y408 HydrophobicContact CG-CE1 3.88Å; W387-Y408 HydrophobicContact CG-CE2 4.36Å; W387-Y408 AromaticContact CG-CZ 3.92Å; W387-Y408 HydrophobicContact CH2-CG 4.06Å; W387-Y408 HydrophobicContact CZ2-CD1 4.36Å; W387-Y408 AromaticContact CZ2-CD2 3.75Å; W387-Y408 HydrophobicContact CZ2-CD2 3.75Å; W387-Y408 HydrophobicContact CZ2-CE2 4.46Å; W387-Y408 AromaticContact CZ2-CG 3.67Å; W387-Y408 HydrophobicContact CZ2-CG 3.67Å; W387-Y408 HydrophobicContact CZ3-CG 4.46Å; W387-Y408 AromaticContact NE1-CD2 3.54Å; W387-Y408 AromaticContact NE1-CE2 3.36Å; W387-Y408 AromaticContact NE1-CZ 3.69Å
388V97.8Very high97.8Very high2 Ų221.2 Ų21.21%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-80.1124.3174.7179.70000109.6W48 N382 E385 P386 V400 W401 Q402W48-V388 HydrophobicContact CZ2-CG1 4.08Å; N382-V388 HydrophobicContact CB-CB 3.82Å; N382-V388 HydrophobicContact CB-CG1 4.04Å; N382-V388 WeakPolarHBondContact CB-O 3.19Å; N382-V388 PolarHBondContact N-O 3.19Å; E385-V388 HydrophobicContact CB-CB 4.27Å; E385-V388 HydrophobicContact CB-CG2 3.77Å; E385-V388 PolarHBondContact O-N 3.44Å; P386-V388 PolarHBondContact O-N 3.01Å; V388-V400 HydrophobicContact CG1-CG1 3.89Å; V388-W401 WeakPolarHBondContact CA-O 3.43Å; V388-Q402 HydrophobicContact CG2-CB 4.17Å; V388-Q402 HydrophobicContact CG2-CG 4.08Å
389I98.8Very high97.7Very high0 Ų021.2 Ų21.20%011%0.114CC..EExtended strand (participates in β ladder)trans-118.6142.3176.4-69166.4000109.2L341 V343 F379 W381 V400 W401L341-I389 HydrophobicContact CD1-CG2 4.16Å; L341-I389 HydrophobicContact CD2-CD1 4.32Å; V343-I389 HydrophobicContact CG2-CD1 4.42Å; F379-I389 HydrophobicContact CB-CG2 4.3Å; F379-I389 HydrophobicContact CD2-CG2 4.11Å; W381-I389 HydrophobicContact CD2-CD1 4.09Å; W381-I389 HydrophobicContact CD2-CG1 3.81Å; W381-I389 HydrophobicContact CE3-CD1 3.82Å; W381-I389 HydrophobicContact CE3-CG1 3.48Å; W381-I389 VanDerWaalsContact CE3-CG1 3.48Å; W381-I389 HydrophobicContact CG-CG1 4.46Å; W381-I389 HydrophobicContact CH2-CD1 3.71Å; W381-I389 HydrophobicContact CH2-CG1 4.34Å; W381-I389 HydrophobicContact CZ2-CD1 3.98Å; W381-I389 HydrophobicContact CZ3-CD1 3.61Å; W381-I389 HydrophobicContact CZ3-CG1 3.77Å; I389-V400 WeakPolarHBondContact O-CA 3.3Å; I389-W401 HydrophobicContact CB-CD2 4.34Å; I389-W401 HydrophobicContact CB-CH2 4.38Å; I389-W401 HydrophobicContact CB-CZ2 3.87Å; I389-W401 HydrophobicContact CD1-CH2 3.49Å; I389-W401 VanDerWaalsContact CD1-CH2 3.49Å; I389-W401 HydrophobicContact CD1-CZ2 3.67Å; I389-W401 HydrophobicContact CD1-CZ3 4.16Å; I389-W401 HydrophobicContact CG1-CH2 4.49Å; I389-W401 HydrophobicContact CG1-CZ2 4.38Å; I389-W401 HydrophobicContact CG2-CZ2 3.8Å; I389-W401 PolarHBondContact N-O 2.93Å; I389-W401 PolarHBondContact O-N 3.38Å
390C98.8Very high97.6Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-109129.1160.7-172.20000109.8V46 W48 L65 F379 S380 Q399 V400V46-C390 HydrophobicContact CG2-CB 4.11Å; W48-C390 HydrophobicContact CZ2-CB 3.74Å; L65-C390 HydrophobicContact CD1-CB 4.37Å; L65-C390 HydrophobicContact CD2-CB 4Å; F379-C390 CarbonylContact C-O 3.46Å; F379-C390 WeakPolarHBondContact CA-O 3.32Å; F379-C390 WeakPolarHBondContact CB-O 3.49Å; S380-C390 PolarHBondContact N-O 3.04Å; S380-C390 PolarHBondContact O-N 3.16Å; C390-Q399 CarbonylContact C-O 3.49Å; C390-Q399 VanDerWaalsContact CA-O 3.27Å; C390-Q399 WeakPolarHBondContact CA-O 3.05Å; C390-V400 HydrophobicContact CB-CG2 4.09Å
391S98.9Very high97.5Very high0 Ų020.3 Ų20.30%011%0.108CC..EExtended strand (participates in β ladder)trans-129.9142.8177.947.70000111H372 M398 Q399 W401H372-S391 PolarHBondContact CE1-O 3.36Å; H372-S391 WeakPolarHBondContact NE2-CB 3.24Å; H372-S391 PolarHBondContact NE2-OG 3.38Å; S391-M398 WeakPolarHBondContact O-CA 3.26Å; S391-Q399 PolarHBondContact N-O 3.16Å; S391-Q399 PolarHBondContact O-N 3.27Å; S391-W401 PolarHBondContact OG-NE1 3.33Å
392V98.8Very high97.3Very high0 Ų021.2 Ų21.20%011%0.112CC..EExtended strand (participates in β ladder)trans-125.6142.8-178.9-66.50000111S43 V46 L67 S377 D378 I397 M398S43-V392 VanDerWaalsContact O-CG2 3.24Å; S43-V392 WeakPolarHBondContact O-CG2 3.38Å; V46-V392 HydrophobicContact CB-CG1 4.06Å; V46-V392 HydrophobicContact CB-CG2 4.07Å; V46-V392 HydrophobicContact CG1-CG1 4.35Å; V46-V392 HydrophobicContact CG1-CG2 3.93Å; V46-V392 HydrophobicContact CG2-CG1 4.47Å; L67-V392 HydrophobicContact CD2-CG1 4.11Å; S377-V392 PolarHBondContact N-O 3.27Å; D378-V392 HydrophobicContact CB-CG2 4.18Å; D378-V392 WeakPolarHBondContact O-CG2 3.41Å; D378-V392 PolarHBondContact O-N 2.92Å; V392-I397 WeakPolarHBondContact CA-O 3.43Å; V392-M398 HydrophobicContact CG1-CB 4.02Å; V392-M398 HydrophobicContact CG1-CG 3.79Å; V392-M398 HydrophobicContact CG1-SD 4.36Å
393S98.5Very high97.2Very high1 Ų121.2 Ų21.21%0.00711%0.112CC..EExtended strand (participates in β ladder)trans-128.5165.8179.951.90000113.5H372 K375 D395 N396 I397H372-S393 VanDerWaalsContact ND1-CB 3.33Å; H372-S393 WeakPolarHBondContact ND1-CB 3.33Å; H372-S393 PolarHBondContact ND1-OG 3.18Å; K375-S393 VanDerWaalsContact O-CA 3.22Å; K375-S393 WeakPolarHBondContact O-CA 3.46Å; K375-S393 WeakPolarHBondContact O-CB 3.34Å; S393-D395 WeakPolarHBondContact CB-OD1 3.39Å; S393-D395 PolarHBondContact O-N 3.16Å; S393-D395 PolarHBondContact OG-OD1 3.15Å; S393-N396 PolarHBondContact O-N 3.35Å; S393-I397 PolarHBondContact N-O 3.13Å; S393-I397 PolarHBondContact OG-O 3.2Å
394E97.2Very high96.9Very high91 Ų9119.4 Ų19.443%0.42510%0.101SC..THydrogen-bonded Turntrans-66.5-17.6-174.8-66.4-177.5169.500114.5P42 A374 K375 N396P42-E394 VanDerWaalsContact CG-O 3.27Å; P42-E394 WeakPolarHBondContact CG-O 3.23Å; A374-E394 HydrophobicContact CB-CB 4.37Å; K375-E394 HydrophobicContact CB-CG 4.32Å; K375-E394 WeakPolarHBondContact CD-OE1 3.45Å; K375-E394 PolarHBondContact O-N 3.21Å; K375-E394 VanDerWaalsContact O-N 3.13Å; E394-N396 PolarHBondContact O-N 2.73Å
395D96.3Very high96.7Very high48 Ų4821.5 Ų21.526%0.25711%0.109SC..THydrogen-bonded Turntrans-89.828177.360.5-8.1000113.4T373 A374 S393 I397T373-D395 PolarHBondContact OG1-OD2 3.11Å; A374-D395 HydrophobicContact CB-CB 3.66Å; A374-D395 VanDerWaalsContact CB-CG 3.41Å; A374-D395 PolarHBondContact N-OD2 3Å; S393-D395 WeakPolarHBondContact CB-OD1 3.39Å; S393-D395 PolarHBondContact O-N 3.16Å; S393-D395 PolarHBondContact OG-OD1 3.15Å; D395-I397 PolarHBondContact O-N 2.99Å
396N97.1Very high96.5Very high47 Ų4726 Ų2625%0.25113%0.134SC..SBendtrans66.37.4-179.3-5554.7000115L39 E40 W41 P42 S393 E394L39-N396 WeakPolarHBondContact CB-O 3.39Å; L39-N396 PolarHBondContact N-O 2.87Å; L39-N396 WeakPolarHBondContact O-CB 3.49Å; L39-N396 PolarHBondContact O-ND2 2.95Å; E40-N396 PolarHBondContact O-ND2 2.82Å; W41-N396 VanDerWaalsContact CA-ND2 3.33Å; W41-N396 WeakPolarHBondContact CA-ND2 3.26Å; P42-N396 WeakPolarHBondContact CD-ND2 3.35Å; P42-N396 WeakPolarHBondContact CG-OD1 3.47Å; S393-N396 PolarHBondContact O-N 3.35Å; E394-N396 PolarHBondContact O-N 2.73Å
397I97.6Very high96.4Very high22 Ų2225 Ų2511%0.11313%0.125CC..EExtended strand (participates in β ladder)trans-87.2124.2-176.3-60.5-56.5000110.9T36 A38 V392 S393 D395 Q399T36-I397 HydrophobicContact CG2-CG2 3.94Å; A38-I397 HydrophobicContact CB-CD1 4.26Å; V392-I397 WeakPolarHBondContact CA-O 3.43Å; S393-I397 PolarHBondContact N-O 3.13Å; S393-I397 PolarHBondContact OG-O 3.2Å; D395-I397 PolarHBondContact O-N 2.99Å; I397-Q399 HydrophobicContact CG2-CG 3.76Å
398M97.6Very high96.1Very high1 Ų127 Ų271%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-106.3132.5163.6-176.4174.776.300109.1H37 L39 L65 L67 I114 S391 V392H37-M398 HydrophobicContact CB-CE 4.33Å; H37-M398 PolarHBondContact N-O 3.03Å; H37-M398 PolarHBondContact O-N 2.97Å; L39-M398 HydrophobicContact CD1-CB 4.02Å; L39-M398 HydrophobicContact CD2-CB 4.41Å; L39-M398 HydrophobicContact CD2-SD 4.46Å; L39-M398 HydrophobicContact CG-CB 4.04Å; L65-M398 HydrophobicContact CD1-CE 4.25Å; L65-M398 HydrophobicContact CD1-SD 3.83Å; L67-M398 HydrophobicContact CD1-SD 3.85Å; L67-M398 HydrophobicContact CD2-SD 4.03Å; I114-M398 HydrophobicContact CB-CE 4.44Å; I114-M398 HydrophobicContact CD1-CE 3.51Å; I114-M398 HydrophobicContact CG1-CE 4.08Å; I114-M398 HydrophobicContact CG2-CE 3.63Å; S391-M398 WeakPolarHBondContact O-CA 3.26Å; V392-M398 HydrophobicContact CG1-CB 4.02Å; V392-M398 HydrophobicContact CG1-CG 3.79Å; V392-M398 HydrophobicContact CG1-SD 4.36Å
399Q97.1Very high95.7Very high1 Ų130 Ų301%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-121.6132.8173.2-62.6-169.43.400110.4M35 T36 H369 G371 C390 S391 I397M35-Q399 CarbonylContact O-C 3.51Å; M35-Q399 VanDerWaalsContact O-CA 3.25Å; M35-Q399 WeakPolarHBondContact O-CA 3.5Å; T36-Q399 HydrophobicContact CG2-CG 4.25Å; H369-Q399 PolarHBondContact CE1-OE1 3.38Å; H369-Q399 PolarHBondContact NE2-OE1 2.57Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.1Å; G371-Q399 PolarHBondContact O-NE2 3.42Å; C390-Q399 CarbonylContact C-O 3.49Å; C390-Q399 VanDerWaalsContact CA-O 3.27Å; C390-Q399 WeakPolarHBondContact CA-O 3.05Å; S391-Q399 PolarHBondContact N-O 3.16Å; S391-Q399 PolarHBondContact O-N 3.27Å; I397-Q399 HydrophobicContact CG2-CG 3.76Å
400V96.9Very high94Very high0 Ų035.2 Ų35.20%018%0.177CC..EExtended strand (participates in β ladder)trans-110.9118.6165.3177.30000106.6L33 M35 W48 V83 V388 I389 C390L33-V400 HydrophobicContact CD2-CG1 4.25Å; M35-V400 HydrophobicContact CB-CB 4.18Å; M35-V400 PolarHBondContact N-O 3.11Å; M35-V400 PolarHBondContact O-N 2.73Å; M35-V400 HydrophobicContact SD-CB 4.32Å; M35-V400 HydrophobicContact SD-CG1 4.36Å; W48-V400 HydrophobicContact CH2-CG1 4.05Å; W48-V400 HydrophobicContact CH2-CG2 4.27Å; W48-V400 HydrophobicContact CZ2-CG1 3.97Å; W48-V400 HydrophobicContact CZ2-CG2 4.29Å; V83-V400 HydrophobicContact CG1-CG2 4.23Å; V388-V400 HydrophobicContact CG1-CG1 3.89Å; I389-V400 WeakPolarHBondContact O-CA 3.3Å; C390-V400 HydrophobicContact CB-CG2 4.09Å
401W96.1Very high91.7Very high0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-145.6157.7-170.659-87.8000111.9Y31 L33 L341 V343 F367 H369 V388 I389 S391Y31-W401 HydrophobicContact CD1-CB 4.21Å; Y31-W401 AromaticContact CD1-CE3 3.95Å; Y31-W401 HydrophobicContact CD1-CE3 3.95Å; Y31-W401 HydrophobicContact CE1-CB 4.37Å; Y31-W401 HydrophobicContact CE1-CD2 4.13Å; Y31-W401 AromaticContact CE1-CE3 3.6Å; Y31-W401 HydrophobicContact CE1-CE3 3.6Å; Y31-W401 HydrophobicContact CE1-CG 4.47Å; Y31-W401 HydrophobicContact CE1-CZ3 4.23Å; L33-W401 CarbonylContact O-C 3.53Å; L33-W401 WeakPolarHBondContact O-CA 3.48Å; L33-W401 WeakPolarHBondContact O-CB 3.09Å; L341-W401 HydrophobicContact CD1-CZ2 4Å; L341-W401 HydrophobicContact CD2-CH2 3.81Å; L341-W401 HydrophobicContact CD2-CZ2 3.71Å; L341-W401 HydrophobicContact CG-CZ2 4.31Å; V343-W401 HydrophobicContact CG2-CH2 4.24Å; F367-W401 HydrophobicContact CD1-CH2 4.32Å; F367-W401 HydrophobicContact CD1-CZ3 4.01Å; F367-W401 HydrophobicContact CE1-CE3 4.38Å; F367-W401 HydrophobicContact CE1-CH2 4.29Å; F367-W401 AromaticContact CE1-CZ3 3.72Å; F367-W401 HydrophobicContact CE1-CZ3 3.72Å; H369-W401 HydrophobicContact CB-CH2 3.65Å; H369-W401 HydrophobicContact CB-CZ2 3.61Å; H369-W401 HydrophobicContact CB-CZ3 4.23Å; H369-W401 AromaticContact CD2-CE2 3.95Å; H369-W401 AromaticContact CD2-NE1 3.87Å; H369-W401 AromaticContact CE1-CD1 3.76Å; H369-W401 AromaticContact CE1-CE2 3.97Å; H369-W401 AromaticContact CE1-CG 3.92Å; H369-W401 AromaticContact CE1-NE1 3.78Å; H369-W401 AromaticContact CG-CE2 3.63Å; H369-W401 AromaticContact CG-CZ2 3.62Å; H369-W401 AromaticContact CG-NE1 3.99Å; H369-W401 AromaticContact ND1-CD2 3.69Å; H369-W401 AromaticContact ND1-CE2 3.67Å; H369-W401 AromaticContact ND1-NE1 3.95Å; H369-W401 AromaticContact NE2-NE1 3.78Å; V388-W401 WeakPolarHBondContact CA-O 3.43Å; I389-W401 HydrophobicContact CB-CD2 4.34Å; I389-W401 HydrophobicContact CB-CH2 4.38Å; I389-W401 HydrophobicContact CB-CZ2 3.87Å; I389-W401 HydrophobicContact CD1-CH2 3.49Å; I389-W401 VanDerWaalsContact CD1-CH2 3.49Å; I389-W401 HydrophobicContact CD1-CZ2 3.67Å; I389-W401 HydrophobicContact CD1-CZ3 4.16Å; I389-W401 HydrophobicContact CG1-CH2 4.49Å; I389-W401 HydrophobicContact CG1-CZ2 4.38Å; I389-W401 HydrophobicContact CG2-CZ2 3.8Å; I389-W401 PolarHBondContact N-O 2.93Å; I389-W401 PolarHBondContact O-N 3.38Å; S391-W401 PolarHBondContact OG-NE1 3.33Å
402Q95.6Very high89.2Confident32 Ų3250.6 Ų50.615%0.1525%0.249CC..EExtended strand (participates in β ladder)trans-139.9125.3178.1-169.2-178.823.600107.5Y31 D32 L33 P386 W387 V388Y31-Q402 VanDerWaalsContact CA-O 3.23Å; Y31-Q402 WeakPolarHBondContact CA-O 3.38Å; Y31-Q402 VanDerWaalsContact CB-O 3.32Å; Y31-Q402 WeakPolarHBondContact CB-O 3.48Å; D32-Q402 PolarHBondContact N-O 2.8Å; L33-Q402 HydrophobicContact CB-CB 3.74Å; L33-Q402 PolarHBondContact N-O 3.43Å; L33-Q402 PolarHBondContact O-N 3.44Å; P386-Q402 PolarHBondContact O-NE2 3.23Å; W387-Q402 HydrophobicContact CB-CG 3.99Å; V388-Q402 HydrophobicContact CG2-CB 4.17Å; V388-Q402 HydrophobicContact CG2-CG 4.08Å
403M95.2Very high86.5Confident0 Ų056.5 Ų56.50%029%0.287CS..EExtended strand (participates in β ladder)trans-66.4154.2175.671.9178.770.600110.5L30 V343 L366 F367 W387 I407 Y408L30-M403 WeakPolarHBondContact O-CA 3.46Å; V343-M403 HydrophobicContact CB-CE 3.88Å; V343-M403 HydrophobicContact CG1-CE 3.88Å; V343-M403 HydrophobicContact CG2-CE 3.65Å; L366-M403 HydrophobicContact CD2-SD 4.34Å; F367-M403 HydrophobicContact CB-CE 3.83Å; F367-M403 HydrophobicContact CB-SD 4.21Å; F367-M403 HydrophobicContact CD1-CB 4.33Å; F367-M403 HydrophobicContact CD1-CE 4.14Å; F367-M403 HydrophobicContact CD2-CB 4.25Å; F367-M403 HydrophobicContact CE1-CB 4.22Å; F367-M403 HydrophobicContact CE2-CB 4.13Å; F367-M403 HydrophobicContact CG-CB 4.33Å; F367-M403 HydrophobicContact CG-CE 4.07Å; F367-M403 HydrophobicContact CG-SD 4.39Å; F367-M403 HydrophobicContact CZ-CB 4.09Å; W387-M403 HydrophobicContact CE3-CE 3.86Å; W387-M403 HydrophobicContact CE3-CG 4.39Å; W387-M403 HydrophobicContact CE3-SD 3.89Å; W387-M403 HydrophobicContact CZ3-CE 4.04Å; W387-M403 HydrophobicContact CZ3-SD 4Å; M403-I407 HydrophobicContact CB-CD1 4.36Å; M403-I407 HydrophobicContact SD-CG2 4.18Å; M403-Y408 HydrophobicContact CG-CD1 3.65Å; M403-Y408 HydrophobicContact CG-CE1 3.83Å; M403-Y408 HydrophobicContact SD-CD1 3.78Å
404A92.3Very high83.6Confident5 Ų563.8 Ų63.84%0.04133%0.326CS..  trans-65.5141.4-178.400000112.6L30 D32 N406 I407 Y408L30-A404 PolarHBondContact O-N 3.49Å; D32-A404 WeakPolarHBondContact OD2-CA 3.47Å; A404-N406 VanDerWaalsContact C-N 3.26Å; A404-N406 WeakPolarHBondContact CB-OD1 3.39Å; A404-N406 PolarHBondContact O-N 2.81Å; A404-I407 HydrophobicContact CB-CD1 4.09Å; A404-I407 HydrophobicContact CB-CG1 4.32Å; A404-I407 WeakPolarHBondContact O-CB 3.49Å; A404-I407 PolarHBondContact O-N 3.46Å; A404-Y408 WeakPolarHBondContact O-CE1 3.41Å
405E91.6Very high80.9Confident106 Ų10665.9 Ų65.950%0.49534%0.34SS..Hα-helixtrans-53.7-40.3-176.7-171.5-178.3178.400114D32 I407 Y408 N409D32-E405 PolarHBondContact OD2-N 2.58Å; E405-I407 PolarHBondContact O-N 3.16Å; E405-Y408 VanDerWaalsContact CA-CE1 3.49Å; E405-Y408 HydrophobicContact CG-CE2 4.07Å; E405-Y408 PolarHBondContact O-N 3.08Å; E405-N409 HydrophobicContact CG-CB 3.94Å; E405-N409 VanDerWaalsContact O-CB 3.27Å; E405-N409 WeakPolarHBondContact O-CB 3.42Å; E405-N409 PolarHBondContact O-N 3.25Å; E405-N409 PolarHBondContact OE1-ND2 3.18Å
406N91.2Very high78.1Confident117 Ų11769.6 Ų69.663%0.62637%0.365SS*.Hα-helixtrans-65.6-8.2-17968.1-44.3000114.5A404A404-N406 VanDerWaalsContact C-N 3.26Å; A404-N406 WeakPolarHBondContact CB-OD1 3.39Å; A404-N406 PolarHBondContact O-N 2.81Å
407I93.5Very high75.2Confident34 Ų3471.7 Ų71.717%0.17438%0.381CS..Hα-helixtrans-83.1-37177.9-61175.7000110.9L366 F367 M403 A404 E405L366-I407 HydrophobicContact CD1-CG2 4.2Å; L366-I407 WeakPolarHBondContact CD1-O 3.22Å; L366-I407 HydrophobicContact CG-CG2 4.3Å; F367-I407 HydrophobicContact CD2-CD1 3.72Å; F367-I407 HydrophobicContact CD2-CG2 4.29Å; F367-I407 HydrophobicContact CE2-CD1 3.58Å; M403-I407 HydrophobicContact CB-CD1 4.36Å; M403-I407 HydrophobicContact SD-CG2 4.18Å; A404-I407 HydrophobicContact CB-CD1 4.09Å; A404-I407 HydrophobicContact CB-CG1 4.32Å; A404-I407 WeakPolarHBondContact O-CB 3.49Å; A404-I407 PolarHBondContact O-N 3.46Å; E405-I407 PolarHBondContact O-N 3.16Å
408Y91.8Very high72.5Confident60 Ų6075.3 Ų75.324%0.23541%0.414CS..Hα-helixtrans-111.4-17.1-174.958.7-99.4000113.7W387 M403 A404 E405W387-Y408 HydrophobicContact CB-CE1 4.33Å; W387-Y408 AromaticContact CD1-CE1 3.94Å; W387-Y408 AromaticContact CD1-CE2 3.67Å; W387-Y408 AromaticContact CD1-CZ 3.5Å; W387-Y408 VanDerWaalsContact CD1-CZ 3.5Å; W387-Y408 AromaticContact CD2-CD1 3.98Å; W387-Y408 HydrophobicContact CD2-CD1 3.98Å; W387-Y408 HydrophobicContact CD2-CD2 4.38Å; W387-Y408 HydrophobicContact CD2-CE1 4.08Å; W387-Y408 HydrophobicContact CD2-CE2 4.49Å; W387-Y408 HydrophobicContact CD2-CG 4.11Å; W387-Y408 AromaticContact CE2-CD2 3.63Å; W387-Y408 AromaticContact CE2-CE2 3.91Å; W387-Y408 AromaticContact CE2-CG 3.68Å; W387-Y408 HydrophobicContact CE3-CD1 4.27Å; W387-Y408 HydrophobicContact CE3-CG 4.49Å; W387-Y408 HydrophobicContact CG-CD1 4.28Å; W387-Y408 AromaticContact CG-CE1 3.88Å; W387-Y408 HydrophobicContact CG-CE1 3.88Å; W387-Y408 HydrophobicContact CG-CE2 4.36Å; W387-Y408 AromaticContact CG-CZ 3.92Å; W387-Y408 HydrophobicContact CH2-CG 4.06Å; W387-Y408 HydrophobicContact CZ2-CD1 4.36Å; W387-Y408 AromaticContact CZ2-CD2 3.75Å; W387-Y408 HydrophobicContact CZ2-CD2 3.75Å; W387-Y408 HydrophobicContact CZ2-CE2 4.46Å; W387-Y408 AromaticContact CZ2-CG 3.67Å; W387-Y408 HydrophobicContact CZ2-CG 3.67Å; W387-Y408 HydrophobicContact CZ3-CG 4.46Å; W387-Y408 AromaticContact NE1-CD2 3.54Å; W387-Y408 AromaticContact NE1-CE2 3.36Å; W387-Y408 AromaticContact NE1-CZ 3.69Å; M403-Y408 HydrophobicContact CG-CD1 3.65Å; M403-Y408 HydrophobicContact CG-CE1 3.83Å; M403-Y408 HydrophobicContact SD-CD1 3.78Å; A404-Y408 WeakPolarHBondContact O-CE1 3.41Å; E405-Y408 VanDerWaalsContact CA-CE1 3.49Å; E405-Y408 HydrophobicContact CG-CE2 4.07Å; E405-Y408 PolarHBondContact O-N 3.08Å
409N88.8Confident69.9Low64 Ų6479.7 Ų79.734%0.34245%0.445SS..  trans-97.886.3176.7-160.48.6000109.5E405 E411E405-N409 HydrophobicContact CG-CB 3.94Å; E405-N409 VanDerWaalsContact O-CB 3.27Å; E405-N409 WeakPolarHBondContact O-CB 3.42Å; E405-N409 PolarHBondContact O-N 3.25Å; E405-N409 PolarHBondContact OE1-ND2 3.18Å; N409-E411 PolarHBondContact O-N 3.22Å
410D63.7Low67.3Low110 Ų11087.6 Ų87.659%0.58848%0.482SS*.  trans-76.749173.9-73.6-36.2000111.1K348 E412K348-D410 IonicContact NZ-OD2 3.61Å; K348-D410 PolarHBondContact NZ-OD2 3.05Å; D410-E412 PolarHBondContact O-N 3.41Å
411E50.3Low64.7Low161 Ų16195.4 Ų95.475%0.75252%0.523SS*.  trans-67.394.1157.7-77.3-165.6176.800106.4N409 P413N409-E411 PolarHBondContact O-N 3.22Å; E411-P413 VanDerWaalsContact O-N 3.09Å
412E46.3Very low62.2Low162 Ų162104.2 Ų104.276%0.75756%0.564SS**  trans-43.3123.5160.8-78.2-167.2160.700106.4D410 D414D410-E412 PolarHBondContact O-N 3.41Å; E412-D414 VanDerWaalsContact C-N 3.35Å; E412-D414 PolarHBondContact O-N 3.01Å
413P41.4Very low59.7Low125 Ų125106.8 Ų106.881%0.81259%0.591SS**  trans-55.8110.1174.420.2-29.2000106.4E411 N415E411-P413 VanDerWaalsContact O-N 3.09Å; P413-N415 PolarHBondContact O-N 3.29Å; P413-N415 VanDerWaalsContact O-N 3.16Å
414D38.7Very low57.3Low153 Ų153116.3 Ų116.382%0.81864%0.635SS**  trans-34.1121.1-176-135.1-10.4000108.3E412 T416E412-D414 VanDerWaalsContact C-N 3.35Å; E412-D414 PolarHBondContact O-N 3.01Å; D414-T416 VanDerWaalsContact C-N 3.3Å; D414-T416 PolarHBondContact O-N 3.29Å
415N39.4Very low54.7Low136 Ų136123 Ų12373%0.72771%0.705SS**  trans-36.595.4175.8-90.9-64000109.6P413 P417P413-N415 PolarHBondContact O-N 3.29Å; P413-N415 VanDerWaalsContact O-N 3.16Å; N415-P417 WeakPolarHBondContact O-CD 3.45Å
416T37.5Very low52.9Low126 Ų126123.9 Ų123.977%0.77372%0.715SS**  trans-58.1112.1167.1-4.40000104D414 A418D414-T416 VanDerWaalsContact C-N 3.3Å; D414-T416 PolarHBondContact O-N 3.29Å; T416-A418 PolarHBondContact O-N 2.95Å; T416-A418 VanDerWaalsContact O-N 3.13Å
417P36.6Very low50.9Low90 Ų90124.2 Ų124.258%0.58472%0.72SS**  trans-59.7130.2-178.6-19.132000106.1N415 S419N415-P417 WeakPolarHBondContact O-CD 3.45Å; P417-S419 PolarHBondContact O-N 2.92Å
418A41.6Very low48.5Very low99 Ų99129.2 Ų129.282%0.81875%0.75SS**THydrogen-bonded Turntrans-60.615.5177.600000114T416T416-A418 PolarHBondContact O-N 2.95Å; T416-A418 VanDerWaalsContact O-N 3.13Å
419S42.1Very low46Very low92 Ų92133.3 Ų133.364%0.64378%0.781SS**THydrogen-bonded Turntrans-90.90.3179.959.20000115.3P417P417-S419 PolarHBondContact O-N 2.92Å
420E42.6Very low43.3Very low168 Ų168137.6 Ų137.679%0.78581%0.808SS**SBendtrans-104.80.5177.3-69.6-163.816200115.4
421L43.3Very low41.9Very low164 Ų164139.5 Ų139.586%0.85982%0.823SS**THydrogen-bonded Turntrans-92.71.7174.9-83.9162000115.1
422E42.6Very low41.3Very low184 Ų184137.9 Ų137.986%0.8683%0.828SS**THydrogen-bonded Turntrans-102.49.5175.8-73.2-167.216000114.7
423A43.6Very low41Very low87 Ų87136.1 Ų136.172%0.71983%0.833SS**SBendtrans-105.732.2176.700000113.7
424Q45Very low40.9Very low199 Ų199137 Ų13793%0.9384%0.835SS**  trans-14266159.4-69.4-168.58.200109.6
425G38.3Very low41.1Very low146 Ų146135.5 Ų135.5100%1.50584%0.837SS**  trans-106.80165.400000111.1

Retrieved 425 of 425 residues in 248.3 ms (Link to these results)

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