A0A077Z4L4_TRITR Loading...

ADP-ribosylation factor-like protein 2

AlphaFold DB , UniProt , Accession A0A077Z4L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 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
1M59Low69.9Low188 Ų188109 Ų10993%0.92658%0.578SS**  0-41.80-162.7173.570.600110.2T4 L5M1-T4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 2.98Å
2E61.8Low70.6Confident155 Ų155108 Ų10872%0.72457%0.572SS**Hα-helixtrans-54.1-51.3171-81.1168.1154.400113T4 L5 E6E2-T4 PolarHBondContact O-N 2.91Å; E2-T4 VanDerWaalsContact O-N 3.13Å; E2-L5 WeakPolarHBondContact O-CB 3.31Å; E2-L5 PolarHBondContact O-N 3.31Å; E2-E6 PolarHBondContact O-N 3.13Å
3D66.5Low70.7Confident120 Ų120106.6 Ų106.664%0.64256%0.564SS**Hα-helixtrans-55.1-37.7179.5-62.5-1.1000113.9M7D3-M7 VanDerWaalsContact O-CB 3.31Å; D3-M7 WeakPolarHBondContact O-CB 3.44Å; D3-M7 WeakPolarHBondContact O-CG 3.22Å; D3-M7 PolarHBondContact O-N 2.87Å
4T69.1Low70.7Confident109 Ų109107.6 Ų107.667%0.66956%0.561SS**Hα-helixtrans-70.9-35.2179.9-43.60000111.7M1 E2 G8M1-T4 PolarHBondContact O-N 3.36Å; E2-T4 PolarHBondContact O-N 2.91Å; E2-T4 VanDerWaalsContact O-N 3.13Å; T4-G8 PolarHBondContact O-N 3.27Å
5L68.9Low70.9Confident121 Ų121109.6 Ų109.663%0.63456%0.564SS**Hα-helixtrans-71.2-43.2175-86.3153.8000111.3M1 E2 G8 L9M1-L5 PolarHBondContact O-N 2.98Å; E2-L5 WeakPolarHBondContact O-CB 3.31Å; E2-L5 PolarHBondContact O-N 3.31Å; L5-G8 PolarHBondContact O-N 3.02Å; L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 PolarHBondContact O-N 2.88Å
6E69.4Low70.8Confident129 Ų129107.6 Ų107.660%0.60355%0.554SS**Hα-helixtrans-62.2-46.7176-73.2-174170.600111.6E2 G8 L9 L10E2-E6 PolarHBondContact O-N 3.13Å; E6-G8 VanDerWaalsContact C-N 3.3Å; E6-G8 PolarHBondContact O-N 3.09Å; E6-L9 PolarHBondContact O-N 3.35Å; E6-L10 WeakPolarHBondContact O-CB 3.49Å; E6-L10 PolarHBondContact O-N 3.02Å
7M72.9Confident70.7Confident115 Ų115104.2 Ų104.257%0.56753%0.534SS*.Hα-helixtrans-63.2-37.1175.2-72.5-61.1-63.300112.2D3 L10 T11D3-M7 VanDerWaalsContact O-CB 3.31Å; D3-M7 WeakPolarHBondContact O-CB 3.44Å; D3-M7 WeakPolarHBondContact O-CG 3.22Å; D3-M7 PolarHBondContact O-N 2.87Å; M7-L10 HydrophobicContact SD-CD2 4.45Å; M7-T11 WeakPolarHBondContact O-CB 3.33Å; M7-T11 PolarHBondContact O-N 2.99Å; M7-T11 PolarHBondContact O-OG1 3.33Å
8G77.4Confident70.7Confident33 Ų33104.1 Ų104.134%0.3453%0.531SS..Hα-helixtrans-62.5-48.217400000112.4T4 L5 E6 T11 I12T4-G8 PolarHBondContact O-N 3.27Å; L5-G8 PolarHBondContact O-N 3.02Å; E6-G8 VanDerWaalsContact C-N 3.3Å; E6-G8 PolarHBondContact O-N 3.09Å; G8-T11 PolarHBondContact O-N 3.3Å; G8-I12 WeakPolarHBondContact O-CG1 3.37Å; G8-I12 PolarHBondContact O-N 2.7Å
9L76.7Confident70.8Confident102 Ų102107.9 Ų107.953%0.53454%0.543SS..Hα-helixtrans-63.3-46.5176.9178.959.2000111.5L5 E6 T11 I12 L13L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 PolarHBondContact O-N 2.88Å; E6-L9 PolarHBondContact O-N 3.35Å; L9-T11 VanDerWaalsContact C-N 3.27Å; L9-T11 PolarHBondContact O-N 2.85Å; L9-I12 WeakPolarHBondContact O-CB 3.33Å; L9-I12 PolarHBondContact O-N 2.95Å; L9-I12 VanDerWaalsContact O-N 3.09Å; L9-L13 HydrophobicContact CD1-CD1 4.49Å; L9-L13 HydrophobicContact CD1-CG 4.29Å; L9-L13 HydrophobicContact CG-CD1 4.24Å; L9-L13 HydrophobicContact CG-CG 4.47Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.41Å
10L72.7Confident71.1Confident61 Ų61108.1 Ų108.132%0.31954%0.542SS..Hα-helixtrans-58.6-40.4177.1-178.461.6000111.6E6 M7 L13 K14E6-L10 WeakPolarHBondContact O-CB 3.49Å; E6-L10 PolarHBondContact O-N 3.02Å; M7-L10 HydrophobicContact SD-CD2 4.45Å; L10-L13 PolarHBondContact O-N 3.44Å; L10-K14 WeakPolarHBondContact O-CG 3.36Å; L10-K14 PolarHBondContact O-N 3.3Å
11T74.6Confident72Confident66 Ų66107.6 Ų107.641%0.40554%0.536SS..Hα-helixtrans-66-40176.1-55.50000111.6M7 G8 L9 K14 K15M7-T11 WeakPolarHBondContact O-CB 3.33Å; M7-T11 PolarHBondContact O-N 2.99Å; M7-T11 PolarHBondContact O-OG1 3.33Å; G8-T11 PolarHBondContact O-N 3.3Å; L9-T11 VanDerWaalsContact C-N 3.27Å; L9-T11 PolarHBondContact O-N 2.85Å; T11-K14 PolarHBondContact O-N 3Å; T11-K15 HydrophobicContact CG2-CD 4.5Å; T11-K15 WeakPolarHBondContact O-CG 3.46Å; T11-K15 PolarHBondContact O-N 2.94Å
12I78.4Confident73.6Confident97 Ų97100.1 Ų100.150%0.49750%0.499SS..Hα-helixtrans-63.4-45.7174.8-68.4165.5000110.3G8 L9 K14 K15 L16G8-I12 WeakPolarHBondContact O-CG1 3.37Å; G8-I12 PolarHBondContact O-N 2.7Å; L9-I12 WeakPolarHBondContact O-CB 3.33Å; L9-I12 PolarHBondContact O-N 2.95Å; L9-I12 VanDerWaalsContact O-N 3.09Å; I12-K14 PolarHBondContact O-N 3.47Å; I12-K15 PolarHBondContact O-N 3.29Å; I12-L16 HydrophobicContact CG2-CD1 3.92Å; I12-L16 HydrophobicContact CG2-CG 4.32Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 VanDerWaalsContact O-CG 3.32Å; I12-L16 WeakPolarHBondContact O-CG 3.48Å; I12-L16 PolarHBondContact O-N 2.87Å
13L71.9Confident75.2Confident90 Ų9092.7 Ų92.747%0.47147%0.465SS..Hα-helixtrans-61-43.5177.9-68.3175.9000111.7L9 L10 L16 K17L9-L13 HydrophobicContact CD1-CD1 4.49Å; L9-L13 HydrophobicContact CD1-CG 4.29Å; L9-L13 HydrophobicContact CG-CD1 4.24Å; L9-L13 HydrophobicContact CG-CG 4.47Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-K17 WeakPolarHBondContact O-CB 3.36Å; L13-K17 PolarHBondContact O-N 2.81Å
14K70.5Confident76.6Confident121 Ų12188.3 Ų88.353%0.52644%0.439SS..Hα-helixtrans-60.4-46.5174.6-74.4179.3179.2-175.60112.3L10 T11 I12 L16 K17 E18L10-K14 WeakPolarHBondContact O-CG 3.36Å; L10-K14 PolarHBondContact O-N 3.3Å; T11-K14 PolarHBondContact O-N 3Å; I12-K14 PolarHBondContact O-N 3.47Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 3.02Å; K14-K17 WeakPolarHBondContact O-CB 3.39Å; K14-K17 PolarHBondContact O-N 2.88Å; K14-E18 WeakPolarHBondContact O-CG 3.31Å; K14-E18 PolarHBondContact O-N 3.42Å
15K72.9Confident78Confident137 Ų13783.1 Ų83.160%0.59641%0.407SS*.Hα-helixtrans-64.2-36.2176.6-74.4-178.2177.4-175.10113T11 I12 K19T11-K15 HydrophobicContact CG2-CD 4.5Å; T11-K15 WeakPolarHBondContact O-CG 3.46Å; T11-K15 PolarHBondContact O-N 2.94Å; I12-K15 PolarHBondContact O-N 3.29Å; K15-K19 WeakPolarHBondContact O-CB 3.26Å; K15-K19 PolarHBondContact O-N 3.48Å
16L70.6Confident79.5Confident78 Ų7877.4 Ų77.441%0.40838%0.377SS..Hα-helixtrans-65.6-45.4173.3-73.1172.6000110.5I12 L13 K14 E18 K19 E20I12-L16 HydrophobicContact CG2-CD1 3.92Å; I12-L16 HydrophobicContact CG2-CG 4.32Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 VanDerWaalsContact O-CG 3.32Å; I12-L16 WeakPolarHBondContact O-CG 3.48Å; I12-L16 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 3.39Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 3.02Å; L16-E18 VanDerWaalsContact C-N 3.35Å; L16-E18 PolarHBondContact O-N 2.66Å; L16-K19 CarbonylContact O-C 3.54Å; L16-K19 WeakPolarHBondContact O-CB 3.36Å; L16-K19 PolarHBondContact O-N 3.36Å; L16-K19 VanDerWaalsContact O-N 3.13Å; L16-E20 WeakPolarHBondContact O-CB 3.36Å; L16-E20 WeakPolarHBondContact O-CG 3.44Å; L16-E20 PolarHBondContact O-N 2.89Å
17K67.8Low80.9Confident50 Ų5071.5 Ų71.522%0.21735%0.35CS..Hα-helixtrans-58.4-43.4175.2-169-174.8179.3-177.20112.4L13 K14 E20 K21 E22 D91L13-K17 WeakPolarHBondContact O-CB 3.36Å; L13-K17 PolarHBondContact O-N 2.81Å; K14-K17 WeakPolarHBondContact O-CB 3.39Å; K14-K17 PolarHBondContact O-N 2.88Å; K17-E20 CarbonylContact O-C 3.48Å; K17-E20 PolarHBondContact O-N 2.87Å; K17-K21 PolarHBondContact O-N 3.21Å; K17-E22 WeakPolarHBondContact CE-O 3.44Å; K17-E22 HydrophobicContact CG-CB 4.12Å; K17-E22 PolarHBondContact O-N 3.13Å; K17-D91 WeakPolarHBondContact CE-OD2 3.45Å; K17-D91 IonicContact NZ-OD1 3.87Å; K17-D91 PolarHBondContact NZ-OD1 2.83Å; K17-D91 IonicContact NZ-OD2 2.95Å; K17-D91 PolarHBondContact NZ-OD2 3.34Å
18E70.9Confident82.1Confident102 Ų10266 Ų6648%0.47732%0.323SS..Hα-helixtrans-60.4-44.6173.5-75.9167.9-166.200112.1K14 L16 K21 F187K14-E18 WeakPolarHBondContact O-CG 3.31Å; K14-E18 PolarHBondContact O-N 3.42Å; L16-E18 VanDerWaalsContact C-N 3.35Å; L16-E18 PolarHBondContact O-N 2.66Å; E18-K21 PolarHBondContact O-N 3.4Å; E18-F187 HydrophobicContact CG-CD1 4.42Å
19K72.5Confident83.1Confident176 Ų17664.4 Ų64.477%0.76531%0.307SS*.Hα-helixtrans-66.3-37.8177.4-174.1-178.5177.3-174.10112.3K15 L16 K21K15-K19 WeakPolarHBondContact O-CB 3.26Å; K15-K19 PolarHBondContact O-N 3.48Å; L16-K19 CarbonylContact O-C 3.54Å; L16-K19 WeakPolarHBondContact O-CB 3.36Å; L16-K19 PolarHBondContact O-N 3.36Å; L16-K19 VanDerWaalsContact O-N 3.13Å; K19-K21 VanDerWaalsContact C-N 3.34Å
20E77.9Confident84.1Confident111 Ų11160 Ų6052%0.51928%0.284SS..Hα-helixtrans-85.2-8.2-179-69.9-179.3164.800113.2L16 K17 E22L16-E20 WeakPolarHBondContact O-CB 3.36Å; L16-E20 WeakPolarHBondContact O-CG 3.44Å; L16-E20 PolarHBondContact O-N 2.89Å; K17-E20 CarbonylContact O-C 3.48Å; K17-E20 PolarHBondContact O-N 2.87Å; E20-E22 HydrophobicContact CB-CG 3.64Å; E20-E22 PolarHBondContact O-N 3.26Å
21K89.1Confident85.3Confident98 Ų9859.2 Ų59.243%0.42628%0.28SS..THydrogen-bonded Turntrans52.741.5-179.1-66.6-171.6175.9-171.70111.8K17 E18 K19 Y66 K67K17-K21 PolarHBondContact O-N 3.21Å; E18-K21 PolarHBondContact O-N 3.4Å; K19-K21 VanDerWaalsContact C-N 3.34Å; K21-Y66 HydrophobicContact CB-CD1 3.7Å; K21-Y66 HydrophobicContact CB-CE1 4.15Å; K21-Y66 HydrophobicContact CD-CD1 4.37Å; K21-Y66 HydrophobicContact CD-CE1 4.15Å; K21-Y66 HydrophobicContact CG-CD1 4.41Å; K21-Y66 HydrophobicContact CG-CE1 4.38Å; K21-Y66 VanDerWaalsContact O-CA 3.3Å; K21-Y66 WeakPolarHBondContact O-CA 3.15Å; K21-Y66 WeakPolarHBondContact O-CB 3.3Å; K21-Y66 WeakPolarHBondContact O-CD1 3.42Å; K21-K67 PolarHBondContact O-N 3.27Å
22E93Very high86.5Confident31 Ų3161.4 Ų61.415%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-86.7136.2-179.7-51.4-155.8155.300111.8K17 E20 K67 N69K17-E22 WeakPolarHBondContact CE-O 3.44Å; K17-E22 HydrophobicContact CG-CB 4.12Å; K17-E22 PolarHBondContact O-N 3.13Å; E20-E22 HydrophobicContact CB-CG 3.64Å; E20-E22 PolarHBondContact O-N 3.26Å; E22-K67 CarbonylContact C-O 3.58Å; E22-K67 VanDerWaalsContact CA-O 3.3Å; E22-K67 WeakPolarHBondContact CA-O 3.23Å; E22-K67 HydrophobicContact CG-CB 4.23Å; E22-K67 HydrophobicContact CG-CD 4.27Å; E22-K67 VanDerWaalsContact OE1-CD 3.26Å; E22-K67 WeakPolarHBondContact OE1-CD 3.1Å; E22-K67 VanDerWaalsContact OE1-CE 3.31Å; E22-K67 WeakPolarHBondContact OE1-CE 3.3Å; E22-K67 IonicContact OE1-NZ 3.84Å; E22-K67 PolarHBondContact OE1-NZ 3.36Å; E22-N69 PolarHBondContact OE2-ND2 3.2Å
23M95.5Very high87.4Confident0 Ų056.9 Ų56.90%027%0.266CS..EExtended strand (participates in β ladder)trans-119.9132.7172.9-61.5178.7177.500109.9Y66 K67 L68 N69 D91 V179 I182 A183 F187M23-Y66 HydrophobicContact CE-CD1 3.51Å; M23-Y66 HydrophobicContact CE-CD2 4.06Å; M23-Y66 HydrophobicContact CE-CE1 3.77Å; M23-Y66 HydrophobicContact CE-CE2 4.25Å; M23-Y66 HydrophobicContact CE-CG 3.7Å; M23-Y66 HydrophobicContact SD-CG 4.37Å; M23-K67 PolarHBondContact N-O 2.73Å; M23-L68 HydrophobicContact CB-CD2 3.81Å; M23-L68 HydrophobicContact CG-CD2 4.12Å; M23-L68 CarbonylContact O-C 3.56Å; M23-L68 WeakPolarHBondContact O-CA 3.1Å; M23-L68 HydrophobicContact SD-CD2 3.69Å; M23-N69 PolarHBondContact O-N 3.12Å; M23-D91 WeakPolarHBondContact CA-OD2 3.39Å; M23-V179 HydrophobicContact CE-CG1 3.87Å; M23-V179 VanDerWaalsContact CE-O 3.32Å; M23-V179 WeakPolarHBondContact CE-O 3.5Å; M23-V179 HydrophobicContact SD-CB 4.32Å; M23-V179 HydrophobicContact SD-CG1 3.99Å; M23-V179 HydrophobicContact SD-CG2 4.21Å; M23-I182 HydrophobicContact CE-CB 4.04Å; M23-I182 HydrophobicContact CE-CG2 3.84Å; M23-I182 HydrophobicContact CG-CG2 3.96Å; M23-I182 HydrophobicContact SD-CB 4.05Å; M23-I182 HydrophobicContact SD-CD1 4.25Å; M23-I182 HydrophobicContact SD-CG2 3.82Å; M23-A183 HydrophobicContact CE-CB 3.76Å; M23-F187 HydrophobicContact CE-CD2 4.11Å; M23-F187 HydrophobicContact CE-CE2 3.61Å; M23-F187 HydrophobicContact CG-CE2 3.99Å; M23-F187 HydrophobicContact CG-CZ 4.38Å
24R96.6Very high88.7Confident28 Ų2853.1 Ų53.111%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-96.7114.9172.9-173.2173.9-176.7-74.7-5.3109.2Y86 E88 E89 T90 D91 G92R24-Y86 VanDerWaalsContact CZ-O 3.23Å; R24-Y86 PolarHBondContact NH1-O 2.97Å; R24-Y86 PolarHBondContact NH2-O 2.77Å; R24-E88 VanDerWaalsContact CZ-O 3.24Å; R24-E88 PolarHBondContact NH1-O 2.86Å; R24-E89 WeakPolarHBondContact CB-O 3.42Å; R24-E89 WeakPolarHBondContact CD-O 3.4Å; R24-T90 PolarHBondContact NH1-OG1 2.83Å; R24-D91 PolarHBondContact N-OD2 3.22Å; R24-D91 PolarHBondContact O-N 3Å; R24-G92 PolarHBondContact O-N 3.28Å
25I98.6Very high90Very high0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-113.5131-178-59.1177.5000109.2L68 N69 I70 W71 G92 I94 L178I25-L68 HydrophobicContact CD1-CB 4.15Å; I25-L68 HydrophobicContact CD1-CD1 3.96Å; I25-L68 HydrophobicContact CD1-CD2 4.12Å; I25-L68 HydrophobicContact CD1-CG 4.29Å; I25-N69 PolarHBondContact N-O 2.88Å; I25-I70 HydrophobicContact CB-CG1 4.29Å; I25-I70 HydrophobicContact CG2-CG2 4.46Å; I25-I70 CarbonylContact O-C 3.51Å; I25-I70 WeakPolarHBondContact O-CA 3.43Å; I25-W71 PolarHBondContact O-N 3.1Å; I25-G92 CarbonylContact C-O 3.55Å; I25-G92 VanDerWaalsContact CA-O 3.3Å; I25-G92 WeakPolarHBondContact CA-O 3.45Å; I25-I94 HydrophobicContact CG2-CD1 3.7Å; I25-I94 HydrophobicContact CG2-CG1 3.86Å; I25-L178 HydrophobicContact CD1-CD2 4.12Å; I25-L178 HydrophobicContact CG2-CD2 4.08Å
26L98.7Very high91.2Very high0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-106.2118.8177.1-175.564.5000110.5I28 W71 V73 F87 T90 G92 V93 I94L26-I28 HydrophobicContact CD2-CD1 4.3Å; L26-I28 HydrophobicContact CG-CB 4.43Å; L26-W71 HydrophobicContact CD1-CB 3.85Å; L26-V73 HydrophobicContact CD1-CG2 3.57Å; L26-F87 HydrophobicContact CD2-CD1 3.55Å; L26-F87 HydrophobicContact CD2-CE1 3.8Å; L26-T90 HydrophobicContact CB-CG2 3.76Å; L26-G92 PolarHBondContact N-O 3.16Å; L26-V93 CarbonylContact O-C 3.59Å; L26-V93 WeakPolarHBondContact O-CA 3.43Å; L26-I94 PolarHBondContact O-N 2.81Å
27V98.9Very high92.6Very high5 Ų540.7 Ų40.73%0.0320%0.197CC..EExtended strand (participates in β ladder)trans-99.2115.7174.8-171.10000109.1K35 I70 W71 V73 I94 V96V27-K35 HydrophobicContact CG1-CB 3.8Å; V27-K35 HydrophobicContact CG1-CD 4.22Å; V27-K35 HydrophobicContact CG1-CG 3.94Å; V27-I70 HydrophobicContact CG2-CG2 3.4Å; V27-I70 VanDerWaalsContact CG2-CG2 3.4Å; V27-W71 PolarHBondContact N-O 3.39Å; V27-V73 PolarHBondContact O-N 3.28Å; V27-I94 WeakPolarHBondContact CA-O 3.39Å; V27-I94 HydrophobicContact CB-CB 4.49Å; V27-I94 HydrophobicContact CG1-CB 4.36Å; V27-I94 HydrophobicContact CG1-CG2 4.22Å; V27-I94 HydrophobicContact CG2-CB 4.17Å; V27-I94 HydrophobicContact CG2-CD1 4.18Å; V27-V96 HydrophobicContact CG1-CG2 3.91Å
28I98.5Very high94.1Very high0 Ų038.5 Ų38.50%019%0.188CC..EExtended strand (participates in β ladder)trans-146.9162.7-170.1-157.5168000111.5L26 K35 W83 F87 V93 I94 W95 V96 L115L26-I28 HydrophobicContact CD2-CD1 4.3Å; L26-I28 HydrophobicContact CG-CB 4.43Å; I28-K35 VanDerWaalsContact C-CD 3.47Å; I28-W83 HydrophobicContact CD1-CB 3.61Å; I28-W83 HydrophobicContact CD1-CD2 3.25Å; I28-W83 HydrophobicContact CD1-CE3 3.54Å; I28-W83 HydrophobicContact CD1-CG 3.32Å; I28-W83 HydrophobicContact CD1-CZ2 4.44Å; I28-W83 HydrophobicContact CD1-CZ3 4.24Å; I28-W83 HydrophobicContact CG1-CD2 3.61Å; I28-W83 HydrophobicContact CG1-CE3 3.91Å; I28-W83 HydrophobicContact CG1-CG 4.05Å; I28-W83 HydrophobicContact CG1-CH2 4.13Å; I28-W83 HydrophobicContact CG1-CZ2 3.84Å; I28-W83 HydrophobicContact CG1-CZ3 4.15Å; I28-F87 HydrophobicContact CD1-CE1 4.04Å; I28-V93 HydrophobicContact CG2-CG1 3.86Å; I28-I94 PolarHBondContact N-O 2.77Å; I28-I94 VanDerWaalsContact O-O 3.13Å; I28-W95 HydrophobicContact CG2-CE3 3.63Å; I28-W95 HydrophobicContact CG2-CZ3 3.91Å; I28-W95 CarbonylContact O-C 3.57Å; I28-W95 WeakPolarHBondContact O-CA 3.33Å; I28-V96 PolarHBondContact O-N 2.99Å; I28-L115 HydrophobicContact CD1-CD1 4.44Å; I28-L115 HydrophobicContact CG2-CD1 3.58Å
29G98.6Very high95.4Very high0 Ų034 Ų340%017%0.167CC..  trans142.1173.3-169.400000111K35 G75 W83G29-K35 WeakPolarHBondContact O-CE 3.28Å; G29-K35 PolarHBondContact O-NZ 2.99Å; G29-G75 WeakPolarHBondContact O-CA 3.31Å; G29-W83 WeakPolarHBondContact O-CZ2 3.34Å
30L98.7Very high96.6Very high9 Ų927.7 Ų27.75%0.04714%0.139CC..SBendtrans-60.2156.8-175.3-50.7-167.7000112.3A33 K35 R104 N107 C108 E111L30-A33 VanDerWaalsContact O-CB 3.25Å; L30-A33 WeakPolarHBondContact O-CB 3.43Å; L30-A33 PolarHBondContact O-N 2.82Å; L30-K35 PolarHBondContact O-NZ 3.07Å; L30-R104 HydrophobicContact CD1-CB 3.97Å; L30-N107 HydrophobicContact CD1-CB 4.35Å; L30-C108 HydrophobicContact CD1-CB 3.86Å; L30-C108 HydrophobicContact CG-CB 4.2Å; L30-E111 HydrophobicContact CD2-CB 4.38Å; L30-E111 HydrophobicContact CD2-CG 3.94Å
31D98.3Very high97.5Very high44 Ų4426.8 Ų26.824%0.23513%0.131CC..THydrogen-bonded Turntrans-54.8150.9167.553-74000111.4A33 G75 Q76 R80 R104D31-A33 PolarHBondContact O-N 2.88Å; D31-G75 PolarHBondContact N-O 3.36Å; D31-G75 VanDerWaalsContact N-O 3.07Å; D31-G75 VanDerWaalsContact OD1-O 3.07Å; D31-Q76 HydrophobicContact CB-CG 4.03Å; D31-R80 IonicContact OD1-NH2 2.65Å; D31-R80 PolarHBondContact OD1-NH2 3.36Å; D31-R104 VanDerWaalsContact CG-NH1 3.34Å; D31-R104 PolarHBondContact O-NH2 2.95Å; D31-R104 IonicContact OD1-NH1 3.87Å; D31-R104 PolarHBondContact OD1-NH1 3.35Å; D31-R104 IonicContact OD2-CZ 3.91Å; D31-R104 IonicContact OD2-NH1 2.83Å; D31-R104 PolarHBondContact OD2-NH1 3.28Å; D31-R104 IonicContact OD2-NH2 3.65Å
32N97.8Very high97.8Very high112 Ų11224 Ų2460%0.59912%0.121SC*.THydrogen-bonded Turntrans64.8-3.8-175.4-163.261.4000116.2G34 K132N32-G34 PolarHBondContact O-N 2.72Å; N32-K132 PolarHBondContact ND2-NZ 2.72Å; N32-K132 VanDerWaalsContact ND2-NZ 3.16Å; N32-K132 WeakPolarHBondContact O-CE 3.4Å; N32-K132 PolarHBondContact O-NZ 2.7Å
33A98.6Very high97.9Very high2 Ų225.1 Ų25.12%0.01713%0.127CC..SBendtrans-65.3-12.9179.200000114.7L30 D31 V96 D98 N131L30-A33 VanDerWaalsContact O-CB 3.25Å; L30-A33 WeakPolarHBondContact O-CB 3.43Å; L30-A33 PolarHBondContact O-N 2.82Å; D31-A33 PolarHBondContact O-N 2.88Å; A33-V96 HydrophobicContact CB-CB 4.33Å; A33-V96 HydrophobicContact CB-CG1 3.98Å; A33-V96 VanDerWaalsContact O-CG1 3.26Å; A33-V96 WeakPolarHBondContact O-CG1 3.24Å; A33-D98 HydrophobicContact CB-CB 4.33Å; A33-N131 PolarHBondContact O-ND2 3.47Å
34G98.6Very high97.9Very high12 Ų1228.6 Ų28.612%0.12416%0.163CC..  trans95.319.6174.700000115.8N32 T36 T37 I38N32-G34 PolarHBondContact O-N 2.72Å; G34-T36 PolarHBondContact O-N 3.25Å; G34-T37 WeakPolarHBondContact O-CB 3.35Å; G34-T37 PolarHBondContact O-N 2.68Å; G34-I38 WeakPolarHBondContact O-CG1 3.27Å; G34-I38 PolarHBondContact O-N 2.93Å
35K98.7Very high97.8Very high13 Ų1330.4 Ų30.46%0.05717%0.172CC..Hα-helixtrans-51.6-54.9177.5-62.1-175.3-63.7-690113.3V27 I28 G29 L30 T37 I38 L39 D72 V73 V96V27-K35 HydrophobicContact CG1-CB 3.8Å; V27-K35 HydrophobicContact CG1-CD 4.22Å; V27-K35 HydrophobicContact CG1-CG 3.94Å; I28-K35 VanDerWaalsContact C-CD 3.47Å; G29-K35 WeakPolarHBondContact O-CE 3.28Å; G29-K35 PolarHBondContact O-NZ 2.99Å; L30-K35 PolarHBondContact O-NZ 3.07Å; K35-T37 VanDerWaalsContact C-N 3.31Å; K35-T37 PolarHBondContact O-N 3.28Å; K35-I38 WeakPolarHBondContact O-CB 3.16Å; K35-I38 PolarHBondContact O-N 3.23Å; K35-L39 PolarHBondContact O-N 2.79Å; K35-D72 WeakPolarHBondContact CB-OD1 3.42Å; K35-V73 WeakPolarHBondContact CE-O 3.17Å; K35-V96 HydrophobicContact CG-CB 3.8Å; K35-V96 HydrophobicContact CG-CG1 4.39Å; K35-V96 HydrophobicContact CG-CG2 3.73Å
36T98.6Very high97.7Very high37 Ų3735.5 Ų35.523%0.22720%0.2CC..Hα-helixtrans-63.6-37.5178.5-47.30000111.7G34 L39 K40 T50 T53 D72G34-T36 PolarHBondContact O-N 3.25Å; T36-L39 PolarHBondContact O-N 3.45Å; T36-K40 HydrophobicContact CG2-CD 4.35Å; T36-K40 HydrophobicContact CG2-CG 4.45Å; T36-K40 WeakPolarHBondContact O-CB 3.45Å; T36-K40 VanDerWaalsContact O-CG 3.31Å; T36-K40 WeakPolarHBondContact O-CG 3.46Å; T36-K40 PolarHBondContact O-N 2.8Å; T36-T50 HydrophobicContact CG2-CG2 4.27Å; T36-T53 PolarHBondContact OG1-OG1 3.31Å; T36-T53 VanDerWaalsContact OG1-OG1 3.14Å; T36-D72 WeakPolarHBondContact CA-OD2 3.37Å; T36-D72 WeakPolarHBondContact CB-OD2 3.35Å; T36-D72 PolarHBondContact OG1-OD2 3.3Å
37T98.7Very high97.6Very high25 Ų2536.3 Ų36.315%0.15320%0.204CC..Hα-helixtrans-62.4-46.5175.8-49.40000111.5G34 K35 L39 K40 R41 V47G34-T37 WeakPolarHBondContact O-CB 3.35Å; G34-T37 PolarHBondContact O-N 2.68Å; K35-T37 VanDerWaalsContact C-N 3.31Å; K35-T37 PolarHBondContact O-N 3.28Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 2.76Å; T37-K40 PolarHBondContact O-N 3.02Å; T37-R41 WeakPolarHBondContact O-CB 3.3Å; T37-R41 PolarHBondContact O-N 2.85Å; T37-V47 HydrophobicContact CG2-CB 3.96Å; T37-V47 HydrophobicContact CG2-CG1 4.16Å
38I98.7Very high97.3Very high3 Ų340 Ų402%0.01523%0.23CC..Hα-helixtrans-57.5-48.3174.7-71.8165000110.2G34 K35 R41 L42 V96 L129 N131 L171G34-I38 WeakPolarHBondContact O-CG1 3.27Å; G34-I38 PolarHBondContact O-N 2.93Å; K35-I38 WeakPolarHBondContact O-CB 3.16Å; K35-I38 PolarHBondContact O-N 3.23Å; I38-R41 PolarHBondContact O-N 2.86Å; I38-L42 HydrophobicContact CG2-CD1 4.04Å; I38-L42 WeakPolarHBondContact O-CG 3.48Å; I38-L42 PolarHBondContact O-N 3.12Å; I38-V96 HydrophobicContact CD1-CB 4.5Å; I38-V96 HydrophobicContact CD1-CG1 3.65Å; I38-V96 HydrophobicContact CD1-CG2 3.95Å; I38-L129 HydrophobicContact CD1-CD1 4.03Å; I38-L129 HydrophobicContact CG2-CD1 4.22Å; I38-N131 HydrophobicContact CD1-CB 4.14Å; I38-L171 HydrophobicContact CG1-CD2 4.06Å; I38-L171 HydrophobicContact CG2-CD1 4.32Å; I38-L171 HydrophobicContact CG2-CD2 3.92Å
39L98.1Very high97Very high7 Ų745.8 Ų45.84%0.03726%0.26CS..Hα-helixtrans-63.9-46.8-179.8-174.854.4000111.6K35 T36 T37 R41 L42 M43 K59 I70 D72K35-L39 PolarHBondContact O-N 2.79Å; T36-L39 PolarHBondContact O-N 3.45Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 2.76Å; L39-R41 VanDerWaalsContact C-N 3.29Å; L39-R41 PolarHBondContact O-N 2.81Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-M43 HydrophobicContact CD1-CG 4.16Å; L39-M43 HydrophobicContact CD1-SD 4.47Å; L39-M43 HydrophobicContact CG-CG 4.45Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.88Å; L39-K59 HydrophobicContact CD1-CB 4.15Å; L39-K59 HydrophobicContact CD1-CG 4.4Å; L39-K59 HydrophobicContact CD2-CB 4.01Å; L39-K59 HydrophobicContact CD2-CG 3.65Å; L39-K59 HydrophobicContact CG-CB 4.31Å; L39-K59 HydrophobicContact CG-CG 4.02Å; L39-I70 HydrophobicContact CD1-CB 4.18Å; L39-I70 HydrophobicContact CD1-CD1 3.89Å; L39-I70 HydrophobicContact CD1-CG2 3.92Å; L39-I70 HydrophobicContact CD2-CG2 4.33Å; L39-D72 HydrophobicContact CD2-CB 3.7Å
40K97.8Very high96.8Very high44 Ų4448.8 Ų48.819%0.19128%0.278CS..Hα-helixtrans-56.4-43.9174.9-73.8-178105.4-167.10111.5T36 T37 L42 M43 G44 E45 D46 V47 I49 T50T36-K40 HydrophobicContact CG2-CD 4.35Å; T36-K40 HydrophobicContact CG2-CG 4.45Å; T36-K40 WeakPolarHBondContact O-CB 3.45Å; T36-K40 VanDerWaalsContact O-CG 3.31Å; T36-K40 WeakPolarHBondContact O-CG 3.46Å; T36-K40 PolarHBondContact O-N 2.8Å; T37-K40 PolarHBondContact O-N 3.02Å; K40-L42 PolarHBondContact O-N 2.83Å; K40-M43 CarbonylContact O-C 3.55Å; K40-M43 PolarHBondContact O-N 3.49Å; K40-M43 VanDerWaalsContact O-N 3.17Å; K40-G44 PolarHBondContact O-N 3.49Å; K40-G44 VanDerWaalsContact O-N 3.12Å; K40-E45 HydrophobicContact CB-CB 3.99Å; K40-E45 HydrophobicContact CG-CB 4.28Å; K40-E45 WeakPolarHBondContact O-CB 3.45Å; K40-E45 PolarHBondContact O-N 2.9Å; K40-D46 WeakPolarHBondContact CE-O 3.36Å; K40-D46 PolarHBondContact NZ-O 2.87Å; K40-V47 HydrophobicContact CB-CG1 3.91Å; K40-I49 PolarHBondContact NZ-O 3.1Å; K40-T50 HydrophobicContact CD-CG2 3.89Å
41R97.6Very high96.5Very high93 Ų9353.5 Ų53.535%0.35131%0.308SS..Hα-helixtrans-60.8-44.7177.1-178.958.170.5-172.92112.1T37 I38 L39 M43 G44 V47 G165 L166 L171T37-R41 WeakPolarHBondContact O-CB 3.3Å; T37-R41 PolarHBondContact O-N 2.85Å; I38-R41 PolarHBondContact O-N 2.86Å; L39-R41 VanDerWaalsContact C-N 3.29Å; L39-R41 PolarHBondContact O-N 2.81Å; R41-M43 VanDerWaalsContact C-N 3.28Å; R41-M43 PolarHBondContact O-N 2.94Å; R41-G44 PolarHBondContact O-N 3.29Å; R41-G44 VanDerWaalsContact O-N 3.16Å; R41-V47 HydrophobicContact CB-CG1 4.01Å; R41-V47 VanDerWaalsContact NH2-CG2 3.27Å; R41-G165 WeakPolarHBondContact CB-O 3.34Å; R41-G165 PolarHBondContact NE-O 2.78Å; R41-L166 PolarHBondContact NE-O 2.78Å; R41-L166 PolarHBondContact NH2-O 2.88Å; R41-L171 HydrophobicContact CB-CD1 4.03Å; R41-L171 HydrophobicContact CG-CD1 3.63Å
42L95.7Very high96.4Very high39 Ų3955.3 Ų55.320%0.20432%0.322CS..Hα-helixtrans-63.6-32.6175.6-72.1171.4000112.8I38 L39 K40 G44 L171 I175I38-L42 HydrophobicContact CG2-CD1 4.04Å; I38-L42 WeakPolarHBondContact O-CG 3.48Å; I38-L42 PolarHBondContact O-N 3.12Å; L39-L42 PolarHBondContact O-N 2.92Å; K40-L42 PolarHBondContact O-N 2.83Å; L42-G44 VanDerWaalsContact C-N 3.29Å; L42-L171 HydrophobicContact CD2-CB 4.04Å; L42-I175 HydrophobicContact CD1-CD1 3.94Å; L42-I175 HydrophobicContact CD1-CG1 3.87Å; L42-I175 HydrophobicContact CD2-CG1 3.97Å
43M95.1Very high96.2Very high55 Ų5551.3 Ų51.327%0.27130%0.301SS..THydrogen-bonded Turntrans-83.5-1.2177.3-58.4-59.2-83.100113.3L39 K40 R41 E45 K59 L61L39-M43 HydrophobicContact CD1-CG 4.16Å; L39-M43 HydrophobicContact CD1-SD 4.47Å; L39-M43 HydrophobicContact CG-CG 4.45Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.88Å; K40-M43 CarbonylContact O-C 3.55Å; K40-M43 PolarHBondContact O-N 3.49Å; K40-M43 VanDerWaalsContact O-N 3.17Å; R41-M43 VanDerWaalsContact C-N 3.28Å; R41-M43 PolarHBondContact O-N 2.94Å; M43-E45 HydrophobicContact CB-CG 3.83Å; M43-E45 PolarHBondContact O-N 3.37Å; M43-K59 HydrophobicContact CE-CB 3.82Å; M43-K59 HydrophobicContact CE-CD 4.15Å; M43-K59 HydrophobicContact CE-CG 4.35Å; M43-K59 HydrophobicContact SD-CB 4.23Å; M43-L61 HydrophobicContact SD-CB 3.99Å; M43-L61 HydrophobicContact SD-CD1 4.1Å; M43-L61 HydrophobicContact SD-CG 4.43Å
44G94.7Very high95.9Very high73 Ų7358.9 Ų58.975%0.75333%0.334SS*.THydrogen-bonded Turntrans6821.8-174.700000113.8K40 R41 L42K40-G44 PolarHBondContact O-N 3.49Å; K40-G44 VanDerWaalsContact O-N 3.12Å; R41-G44 PolarHBondContact O-N 3.29Å; R41-G44 VanDerWaalsContact O-N 3.16Å; L42-G44 VanDerWaalsContact C-N 3.29Å
45E96.1Very high95.7Very high66 Ų6659.5 Ų59.531%0.30834%0.341SS..  trans-86.7160.5179.6-63.8175.5-162.700111.4K40 M43 V47 K59K40-E45 HydrophobicContact CB-CB 3.99Å; K40-E45 HydrophobicContact CG-CB 4.28Å; K40-E45 WeakPolarHBondContact O-CB 3.45Å; K40-E45 PolarHBondContact O-N 2.9Å; M43-E45 HydrophobicContact CB-CG 3.83Å; M43-E45 PolarHBondContact O-N 3.37Å; E45-V47 PolarHBondContact O-N 3.4Å; E45-K59 IonicContact OE1-NZ 3.99Å; E45-K59 PolarHBondContact OE1-NZ 2.97Å; E45-K59 IonicContact OE2-NZ 2.93Å; E45-K59 PolarHBondContact OE2-NZ 3.05Å
46D95.9Very high95.6Very high107 Ų10763.1 Ų63.157%0.57236%0.357SS*.  trans-64126.3174.1179.516.2000111.2K40 S48K40-D46 WeakPolarHBondContact CE-O 3.36Å; K40-D46 PolarHBondContact NZ-O 2.87Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 3.09Å; D46-S48 PolarHBondContact OD1-OG 3.34Å; D46-S48 VanDerWaalsContact OD1-OG 3.1Å; D46-S48 PolarHBondContact OD2-OG 2.98Å
47V96.3Very high95.5Very high17 Ų1765 Ų6510%0.10337%0.365CS..  trans-99.40.5179.9-62.20000113.7T37 K40 R41 E45 I49 L166T37-V47 HydrophobicContact CG2-CB 3.96Å; T37-V47 HydrophobicContact CG2-CG1 4.16Å; K40-V47 HydrophobicContact CB-CG1 3.91Å; R41-V47 HydrophobicContact CB-CG1 4.01Å; R41-V47 VanDerWaalsContact NH2-CG2 3.27Å; E45-V47 PolarHBondContact O-N 3.4Å; V47-I49 VanDerWaalsContact C-N 3.28Å; V47-I49 PolarHBondContact O-N 3.29Å; V47-L166 HydrophobicContact CG2-CD1 4.09Å
48S93.1Very high95.4Very high81 Ų8167.2 Ų67.257%0.56638%0.375SS*.SBendtrans-57.4-38.9-174.767.50000113.4D46D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 3.09Å; D46-S48 PolarHBondContact OD1-OG 3.34Å; D46-S48 VanDerWaalsContact OD1-OG 3.1Å; D46-S48 PolarHBondContact OD2-OG 2.98Å
49I91.8Very high95.3Very high122 Ų12269.8 Ų69.863%0.62639%0.386SS*.  trans-129.8127.6-178.2-58172.7000109.3K40 V47K40-I49 PolarHBondContact NZ-O 3.1Å; V47-I49 VanDerWaalsContact C-N 3.28Å; V47-I49 PolarHBondContact O-N 3.29Å
50T93.1Very high95.3Very high63 Ų6372.9 Ų72.939%0.38741%0.406SS..  trans-131150.6165.759.50000108.7T36 K40T36-T50 HydrophobicContact CG2-CG2 4.27Å; K40-T50 HydrophobicContact CD-CG2 3.89Å
51T93.4Very high95.1Very high108 Ų10872.3 Ų72.366%0.66341%0.405SS*.  trans-120.6157.3173.954.40000108.8T53T51-T53 PolarHBondContact O-N 3.23Å
52P95.5Very high94.9Very high82 Ų8272.2 Ų72.253%0.53242%0.424SS..  trans-54.7124.8177.9-26.635.2000112F54P52-F54 WeakPolarHBondContact O-CD2 3.46Å; P52-F54 PolarHBondContact O-N 2.77Å
53T94.7Very high94.9Very high28 Ų2872.2 Ų72.217%0.17242%0.421CS..  trans-69.2121.3176.1-52.60000110.1T36 T51 G74T36-T53 PolarHBondContact OG1-OG1 3.31Å; T36-T53 VanDerWaalsContact OG1-OG1 3.14Å; T51-T53 PolarHBondContact O-N 3.23Å; T53-G74 WeakPolarHBondContact O-CA 3.31Å
54F92.5Very high94.7Very high161 Ų16176.4 Ų76.471%0.70643%0.434SS*.SBendtrans-95.6113.3170.4-71.8-82.7000109.1P52P52-F54 WeakPolarHBondContact O-CD2 3.46Å; P52-F54 PolarHBondContact O-N 2.77Å
55G93.8Very high94.5Very high25 Ų2576 Ų7626%0.25843%0.43SS..SBendtrans80.4-116.2-173.100000111.5G74G55-G74 PolarHBondContact O-N 3.46Å
56F96.8Very high94.4Very high90 Ų9074.9 Ų74.940%0.39542%0.423SS..EExtended strand (participates in β ladder)trans-147.3160.2-17868.9-83.7000112.4I58 W71 D72 V73 Y86F56-I58 HydrophobicContact CD2-CD1 4.32Å; F56-I58 HydrophobicContact CD2-CG1 3.81Å; F56-I58 HydrophobicContact CE2-CD1 3.79Å; F56-I58 HydrophobicContact CE2-CG1 3.77Å; F56-W71 AromaticContact CD2-CE3 3.45Å; F56-W71 HydrophobicContact CD2-CE3 3.45Å; F56-W71 VanDerWaalsContact CD2-CE3 3.45Å; F56-W71 AromaticContact CD2-CZ3 3.51Å; F56-W71 HydrophobicContact CD2-CZ3 3.51Å; F56-W71 HydrophobicContact CE1-CZ3 4.41Å; F56-W71 AromaticContact CE2-CE3 3.74Å; F56-W71 HydrophobicContact CE2-CE3 3.74Å; F56-W71 HydrophobicContact CE2-CH2 4.12Å; F56-W71 AromaticContact CE2-CZ3 3.27Å; F56-W71 HydrophobicContact CE2-CZ3 3.27Å; F56-W71 HydrophobicContact CG-CE3 4.08Å; F56-W71 HydrophobicContact CG-CZ3 4.2Å; F56-W71 AromaticContact CZ-CZ3 3.76Å; F56-W71 HydrophobicContact CZ-CZ3 3.76Å; F56-D72 CarbonylContact C-O 3.59Å; F56-D72 WeakPolarHBondContact CA-O 3.32Å; F56-V73 HydrophobicContact CB-CG2 4.16Å; F56-Y86 HydrophobicContact CB-CE1 4.17Å; F56-Y86 HydrophobicContact CD1-CD1 4.23Å; F56-Y86 AromaticContact CD1-CE1 3.24Å; F56-Y86 HydrophobicContact CD1-CE1 3.24Å; F56-Y86 AromaticContact CD1-CZ 3.61Å; F56-Y86 WeakPolarHBondContact CD1-OH 3.33Å; F56-Y86 AromaticContact CE1-CE1 3.72Å; F56-Y86 HydrophobicContact CE1-CE1 3.72Å; F56-Y86 HydrophobicContact CG-CD1 4.42Å; F56-Y86 AromaticContact CG-CE1 3.79Å; F56-Y86 HydrophobicContact CG-CE1 3.79Å
57N96.3Very high94.4Very high75 Ų7573.8 Ų73.840%0.40141%0.413SS..EExtended strand (participates in β ladder)trans-123.3149166.1-167.3-69.4000109.2W71 D72N57-W71 CarbonylContact O-C 3.55Å; N57-W71 WeakPolarHBondContact O-CA 3.26Å; N57-D72 HydrophobicContact CB-CB 4.5Å; N57-D72 PolarHBondContact N-O 2.99Å; N57-D72 PolarHBondContact O-N 2.94Å
58I97.1Very high94.4Very high73 Ų7373 Ų7337%0.37441%0.408SS..EExtended strand (participates in β ladder)trans-116.7128.3173.6-53.2174000108.9F56 I70 W71F56-I58 HydrophobicContact CD2-CD1 4.32Å; F56-I58 HydrophobicContact CD2-CG1 3.81Å; F56-I58 HydrophobicContact CE2-CD1 3.79Å; F56-I58 HydrophobicContact CE2-CG1 3.77Å; I58-I70 WeakPolarHBondContact CA-O 3.49Å; I58-W71 HydrophobicContact CD1-CD2 3.94Å; I58-W71 HydrophobicContact CD1-CE3 3.92Å; I58-W71 HydrophobicContact CD1-CH2 3.4Å; I58-W71 VanDerWaalsContact CD1-CH2 3.4Å; I58-W71 HydrophobicContact CD1-CZ2 3.4Å; I58-W71 VanDerWaalsContact CD1-CZ2 3.4Å; I58-W71 HydrophobicContact CD1-CZ3 3.66Å; I58-W71 HydrophobicContact CG1-CD2 3.75Å; I58-W71 HydrophobicContact CG1-CE3 3.79Å; I58-W71 HydrophobicContact CG1-CG 4.34Å; I58-W71 HydrophobicContact CG1-CH2 4.22Å; I58-W71 HydrophobicContact CG1-CZ2 4.17Å; I58-W71 HydrophobicContact CG1-CZ3 4.03Å
59K96.9Very high94.6Very high56 Ų5670.4 Ų70.424%0.24339%0.388CS..EExtended strand (participates in β ladder)trans-120.2136.7169.9-66.6-68.5-171.61530109.4L39 M43 E45 I70L39-K59 HydrophobicContact CD1-CB 4.15Å; L39-K59 HydrophobicContact CD1-CG 4.4Å; L39-K59 HydrophobicContact CD2-CB 4.01Å; L39-K59 HydrophobicContact CD2-CG 3.65Å; L39-K59 HydrophobicContact CG-CB 4.31Å; L39-K59 HydrophobicContact CG-CG 4.02Å; M43-K59 HydrophobicContact CE-CB 3.82Å; M43-K59 HydrophobicContact CE-CD 4.15Å; M43-K59 HydrophobicContact CE-CG 4.35Å; M43-K59 HydrophobicContact SD-CB 4.23Å; E45-K59 IonicContact OE1-NZ 3.99Å; E45-K59 PolarHBondContact OE1-NZ 2.97Å; E45-K59 IonicContact OE2-NZ 2.93Å; E45-K59 PolarHBondContact OE2-NZ 3.05Å; K59-I70 PolarHBondContact N-O 3.41Å; K59-I70 PolarHBondContact O-N 3.02Å
60T96.1Very high95Very high72 Ų7264.7 Ų64.744%0.44236%0.359SS..EExtended strand (participates in β ladder)trans-107.6125.4174.7-61.90000109.6K67 L68 N69T60-K67 HydrophobicContact CG2-CD 4.03Å; T60-K67 VanDerWaalsContact CG2-CE 3.47Å; T60-K67 HydrophobicContact CG2-CG 3.58Å; T60-L68 CarbonylContact C-O 3.6Å; T60-L68 VanDerWaalsContact CA-O 3.27Å; T60-L68 WeakPolarHBondContact CA-O 3.23Å; T60-N69 PolarHBondContact OG1-OD1 2.86Å
61L93.9Very high95.2Very high33 Ų3364.1 Ų64.117%0.17335%0.35CS..EExtended strand (participates in β ladder)trans-122.8126.7-179.4177.764.8000110M43 Y63 L68 I70M43-L61 HydrophobicContact SD-CB 3.99Å; M43-L61 HydrophobicContact SD-CD1 4.1Å; M43-L61 HydrophobicContact SD-CG 4.43Å; L61-Y63 HydrophobicContact CD2-CD2 4.2Å; L61-Y63 PolarHBondContact O-N 3.17Å; L61-L68 HydrophobicContact CB-CB 4.43Å; L61-L68 PolarHBondContact N-O 3.24Å; L61-L68 PolarHBondContact O-N 3.12Å; L61-I70 HydrophobicContact CB-CD1 4.48Å
62A94.5Very high95.4Very high91 Ų9159 Ų5975%0.75232%0.319SS*.EExtended strand (participates in β ladder)trans-79.2117.416600000108.9
63Y95.2Very high95.6Very high39 Ų3955.2 Ų55.215%0.15329%0.294CS..EExtended strand (participates in β ladder)trans-139.9118.6-174.1-165.8-99.3000111.2L61 G65 Y66 L68 V172 I175 D176 V179L61-Y63 HydrophobicContact CD2-CD2 4.2Å; L61-Y63 PolarHBondContact O-N 3.17Å; Y63-G65 PolarHBondContact O-N 2.68Å; Y63-G65 VanDerWaalsContact O-N 3.1Å; Y63-Y66 PolarHBondContact N-O 3.07Å; Y63-Y66 WeakPolarHBondContact O-CB 3.15Å; Y63-Y66 PolarHBondContact O-N 3.12Å; Y63-L68 HydrophobicContact CD1-CD1 4.27Å; Y63-L68 HydrophobicContact CG-CD1 4.1Å; Y63-V172 WeakPolarHBondContact OH-CG1 3.41Å; Y63-I175 HydrophobicContact CD1-CG2 4.15Å; Y63-I175 HydrophobicContact CE1-CG2 3.87Å; Y63-D176 VanDerWaalsContact CE1-OD1 3.27Å; Y63-D176 WeakPolarHBondContact CE1-OD1 3.24Å; Y63-D176 VanDerWaalsContact CZ-OD1 3.28Å; Y63-D176 PolarHBondContact OH-OD1 3.34Å; Y63-V179 HydrophobicContact CD1-CG1 4.49Å; Y63-V179 HydrophobicContact CD1-CG2 4.16Å
64R90.5Very high95.7Very high142 Ų14254 Ų5454%0.53629%0.287SS..THydrogen-bonded Turntrans49.736.6177.9-65.2-171.2166.3-178.52.3114.9Y66 D176R64-Y66 VanDerWaalsContact C-N 3.29Å; R64-Y66 WeakPolarHBondContact O-CD2 3.42Å; R64-Y66 PolarHBondContact O-N 2.7Å; R64-D176 IonicContact CZ-OD1 3.77Å; R64-D176 IonicContact CZ-OD2 2.99Å; R64-D176 IonicContact NE-OD1 3.12Å; R64-D176 PolarHBondContact NE-OD1 3.42Å; R64-D176 IonicContact NH1-OD1 2.64Å; R64-D176 PolarHBondContact NH1-OD1 3.11Å; R64-D176 IonicContact NH1-OD2 3.2Å; R64-D176 PolarHBondContact NH1-OD2 3.19Å; R64-D176 VanDerWaalsContact NH1-OD2 3.12Å; R64-D176 IonicContact NH2-OD1 2.74Å; R64-D176 PolarHBondContact NH2-OD1 3.08Å; R64-D176 VanDerWaalsContact NH2-OD1 3.16Å; R64-D176 IonicContact NH2-OD2 2.83Å; R64-D176 PolarHBondContact NH2-OD2 3.22Å
65G90.2Very high95.9Very high64 Ų6446.5 Ų46.566%0.6625%0.254SS*.THydrogen-bonded Turntrans80.85-179.200000114.9Y63Y63-G65 PolarHBondContact O-N 2.68Å; Y63-G65 VanDerWaalsContact O-N 3.1Å
66Y94.8Very high96.1Very high44 Ų4448.1 Ų48.117%0.17326%0.255CS..EExtended strand (participates in β ladder)trans-104.8154169.2-58.3-79.2000110.4K21 M23 Y63 R64 V179 A183 F187K21-Y66 HydrophobicContact CB-CD1 3.7Å; K21-Y66 HydrophobicContact CB-CE1 4.15Å; K21-Y66 HydrophobicContact CD-CD1 4.37Å; K21-Y66 HydrophobicContact CD-CE1 4.15Å; K21-Y66 HydrophobicContact CG-CD1 4.41Å; K21-Y66 HydrophobicContact CG-CE1 4.38Å; K21-Y66 VanDerWaalsContact O-CA 3.3Å; K21-Y66 WeakPolarHBondContact O-CA 3.15Å; K21-Y66 WeakPolarHBondContact O-CB 3.3Å; K21-Y66 WeakPolarHBondContact O-CD1 3.42Å; M23-Y66 HydrophobicContact CE-CD1 3.51Å; M23-Y66 HydrophobicContact CE-CD2 4.06Å; M23-Y66 HydrophobicContact CE-CE1 3.77Å; M23-Y66 HydrophobicContact CE-CE2 4.25Å; M23-Y66 HydrophobicContact CE-CG 3.7Å; M23-Y66 HydrophobicContact SD-CG 4.37Å; Y63-Y66 PolarHBondContact N-O 3.07Å; Y63-Y66 WeakPolarHBondContact O-CB 3.15Å; Y63-Y66 PolarHBondContact O-N 3.12Å; R64-Y66 VanDerWaalsContact C-N 3.29Å; R64-Y66 WeakPolarHBondContact O-CD2 3.42Å; R64-Y66 PolarHBondContact O-N 2.7Å; Y66-V179 HydrophobicContact CD2-CG1 3.59Å; Y66-V179 HydrophobicContact CE2-CG1 3.99Å; Y66-V179 HydrophobicContact CG-CG1 4.32Å; Y66-A183 HydrophobicContact CE1-CB 4.11Å; Y66-A183 HydrophobicContact CE2-CB 4.22Å; Y66-A183 VanDerWaalsContact OH-CB 3.26Å; Y66-A183 WeakPolarHBondContact OH-CB 3.43Å; Y66-F187 HydrophobicContact CD1-CD2 4.07Å; Y66-F187 AromaticContact CD1-CE2 3.79Å; Y66-F187 HydrophobicContact CD1-CE2 3.79Å; Y66-F187 AromaticContact CE1-CD2 3.47Å; Y66-F187 HydrophobicContact CE1-CD2 3.47Å; Y66-F187 VanDerWaalsContact CE1-CD2 3.47Å; Y66-F187 AromaticContact CE1-CE2 3.7Å; Y66-F187 HydrophobicContact CE1-CE2 3.7Å; Y66-F187 HydrophobicContact CE1-CG 4.36Å
67K95.5Very high96.1Very high83 Ų8349.6 Ų49.636%0.36127%0.267SS..EExtended strand (participates in β ladder)trans-104109169.8179.5175.7163.2-156.40108.7K21 E22 M23 T60K21-K67 PolarHBondContact O-N 3.27Å; E22-K67 CarbonylContact C-O 3.58Å; E22-K67 VanDerWaalsContact CA-O 3.3Å; E22-K67 WeakPolarHBondContact CA-O 3.23Å; E22-K67 HydrophobicContact CG-CB 4.23Å; E22-K67 HydrophobicContact CG-CD 4.27Å; E22-K67 VanDerWaalsContact OE1-CD 3.26Å; E22-K67 WeakPolarHBondContact OE1-CD 3.1Å; E22-K67 VanDerWaalsContact OE1-CE 3.31Å; E22-K67 WeakPolarHBondContact OE1-CE 3.3Å; E22-K67 IonicContact OE1-NZ 3.84Å; E22-K67 PolarHBondContact OE1-NZ 3.36Å; M23-K67 PolarHBondContact N-O 2.73Å; T60-K67 HydrophobicContact CG2-CD 4.03Å; T60-K67 VanDerWaalsContact CG2-CE 3.47Å; T60-K67 HydrophobicContact CG2-CG 3.58Å
68L97.3Very high96.1Very high0 Ų053.6 Ų53.60%029%0.285CS..EExtended strand (participates in β ladder)trans-90.9114.2-179.5-47.7-173.7000109.2M23 I25 T60 L61 Y63 I70 I175 V179M23-L68 HydrophobicContact CB-CD2 3.81Å; M23-L68 HydrophobicContact CG-CD2 4.12Å; M23-L68 CarbonylContact O-C 3.56Å; M23-L68 WeakPolarHBondContact O-CA 3.1Å; M23-L68 HydrophobicContact SD-CD2 3.69Å; I25-L68 HydrophobicContact CD1-CB 4.15Å; I25-L68 HydrophobicContact CD1-CD1 3.96Å; I25-L68 HydrophobicContact CD1-CD2 4.12Å; I25-L68 HydrophobicContact CD1-CG 4.29Å; T60-L68 CarbonylContact C-O 3.6Å; T60-L68 VanDerWaalsContact CA-O 3.27Å; T60-L68 WeakPolarHBondContact CA-O 3.23Å; L61-L68 HydrophobicContact CB-CB 4.43Å; L61-L68 PolarHBondContact N-O 3.24Å; L61-L68 PolarHBondContact O-N 3.12Å; Y63-L68 HydrophobicContact CD1-CD1 4.27Å; Y63-L68 HydrophobicContact CG-CD1 4.1Å; L68-I70 HydrophobicContact CB-CD1 4.27Å; L68-I70 HydrophobicContact CB-CG1 4Å; L68-I175 HydrophobicContact CD1-CG2 4.29Å; L68-V179 HydrophobicContact CD1-CG2 3.84Å; L68-V179 HydrophobicContact CD2-CG2 3.93Å
69N97.3Very high96Very high27 Ų2751.9 Ų51.914%0.14428%0.277CS..EExtended strand (participates in β ladder)trans-94.297.9170.8-63.6-47.2000108.2E22 M23 I25 T60E22-N69 PolarHBondContact OE2-ND2 3.2Å; M23-N69 PolarHBondContact O-N 3.12Å; I25-N69 PolarHBondContact N-O 2.88Å; T60-N69 PolarHBondContact OG1-OD1 2.86Å
70I98.6Very high96Very high3 Ų350.2 Ų50.22%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-99.1121-170.8-50.6176.2000110I25 V27 L39 I58 K59 L61 L68I25-I70 HydrophobicContact CB-CG1 4.29Å; I25-I70 HydrophobicContact CG2-CG2 4.46Å; I25-I70 CarbonylContact O-C 3.51Å; I25-I70 WeakPolarHBondContact O-CA 3.43Å; V27-I70 HydrophobicContact CG2-CG2 3.4Å; V27-I70 VanDerWaalsContact CG2-CG2 3.4Å; L39-I70 HydrophobicContact CD1-CB 4.18Å; L39-I70 HydrophobicContact CD1-CD1 3.89Å; L39-I70 HydrophobicContact CD1-CG2 3.92Å; L39-I70 HydrophobicContact CD2-CG2 4.33Å; I58-I70 WeakPolarHBondContact CA-O 3.49Å; K59-I70 PolarHBondContact N-O 3.41Å; K59-I70 PolarHBondContact O-N 3.02Å; L61-I70 HydrophobicContact CB-CD1 4.48Å; L68-I70 HydrophobicContact CB-CD1 4.27Å; L68-I70 HydrophobicContact CB-CG1 4Å
71W98.4Very high96Very high50 Ų5050.4 Ų50.419%0.18927%0.273CS..EExtended strand (participates in β ladder)trans-100107.3178.8-66.770.3000109.8I25 L26 V27 F56 N57 I58 Y86I25-W71 PolarHBondContact O-N 3.1Å; L26-W71 HydrophobicContact CD1-CB 3.85Å; V27-W71 PolarHBondContact N-O 3.39Å; F56-W71 AromaticContact CD2-CE3 3.45Å; F56-W71 HydrophobicContact CD2-CE3 3.45Å; F56-W71 VanDerWaalsContact CD2-CE3 3.45Å; F56-W71 AromaticContact CD2-CZ3 3.51Å; F56-W71 HydrophobicContact CD2-CZ3 3.51Å; F56-W71 HydrophobicContact CE1-CZ3 4.41Å; F56-W71 AromaticContact CE2-CE3 3.74Å; F56-W71 HydrophobicContact CE2-CE3 3.74Å; F56-W71 HydrophobicContact CE2-CH2 4.12Å; F56-W71 AromaticContact CE2-CZ3 3.27Å; F56-W71 HydrophobicContact CE2-CZ3 3.27Å; F56-W71 HydrophobicContact CG-CE3 4.08Å; F56-W71 HydrophobicContact CG-CZ3 4.2Å; F56-W71 AromaticContact CZ-CZ3 3.76Å; F56-W71 HydrophobicContact CZ-CZ3 3.76Å; N57-W71 CarbonylContact O-C 3.55Å; N57-W71 WeakPolarHBondContact O-CA 3.26Å; I58-W71 HydrophobicContact CD1-CD2 3.94Å; I58-W71 HydrophobicContact CD1-CE3 3.92Å; I58-W71 HydrophobicContact CD1-CH2 3.4Å; I58-W71 VanDerWaalsContact CD1-CH2 3.4Å; I58-W71 HydrophobicContact CD1-CZ2 3.4Å; I58-W71 VanDerWaalsContact CD1-CZ2 3.4Å; I58-W71 HydrophobicContact CD1-CZ3 3.66Å; I58-W71 HydrophobicContact CG1-CD2 3.75Å; I58-W71 HydrophobicContact CG1-CE3 3.79Å; I58-W71 HydrophobicContact CG1-CG 4.34Å; I58-W71 HydrophobicContact CG1-CH2 4.22Å; I58-W71 HydrophobicContact CG1-CZ2 4.17Å; I58-W71 HydrophobicContact CG1-CZ3 4.03Å; W71-Y86 HydrophobicContact CE3-CD1 4.08Å; W71-Y86 HydrophobicContact CZ3-CD1 4.1Å
72D98.4Very high96.1Very high2 Ų254.9 Ų54.91%0.01129%0.288CS..EExtended strand (participates in β ladder)trans-88114.6172.4176.232.2000109.9K35 T36 L39 F56 N57K35-D72 WeakPolarHBondContact CB-OD1 3.42Å; T36-D72 WeakPolarHBondContact CA-OD2 3.37Å; T36-D72 WeakPolarHBondContact CB-OD2 3.35Å; T36-D72 PolarHBondContact OG1-OD2 3.3Å; L39-D72 HydrophobicContact CD2-CB 3.7Å; F56-D72 CarbonylContact C-O 3.59Å; F56-D72 WeakPolarHBondContact CA-O 3.32Å; N57-D72 HydrophobicContact CB-CB 4.5Å; N57-D72 PolarHBondContact N-O 2.99Å; N57-D72 PolarHBondContact O-N 2.94Å
73V98.2Very high96.3Very high2 Ų251 Ų511%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-108.6137.3-172.8179.80000111.7L26 V27 K35 F56 G75 W83 Y86L26-V73 HydrophobicContact CD1-CG2 3.57Å; V27-V73 PolarHBondContact O-N 3.28Å; K35-V73 WeakPolarHBondContact CE-O 3.17Å; F56-V73 HydrophobicContact CB-CG2 4.16Å; V73-G75 PolarHBondContact O-N 3.36Å; V73-W83 VanDerWaalsContact CG1-CD1 3.48Å; V73-W83 HydrophobicContact CG1-CG 4.49Å; V73-Y86 HydrophobicContact CB-CD2 4.44Å; V73-Y86 HydrophobicContact CG1-CD2 3.77Å; V73-Y86 HydrophobicContact CG1-CE2 3.65Å; V73-Y86 HydrophobicContact CG2-CD2 3.72Å; V73-Y86 HydrophobicContact CG2-CE2 4.16Å; V73-Y86 HydrophobicContact CG2-CG 4.08Å
74G97.4Very high96.3Very high2 Ų254.3 Ų54.32%0.02127%0.27CS..  trans-57.6132.2175.100000112.9T53 G55 W83T53-G74 WeakPolarHBondContact O-CA 3.31Å; G55-G74 PolarHBondContact O-N 3.46Å; G74-W83 PolarHBondContact O-NE1 3.18Å
75G97.6Very high96.6Very high3 Ų352.3 Ų52.33%0.03127%0.269CS..  trans-102.21.8-175.900000115.8G29 D31 V73 R80G29-G75 WeakPolarHBondContact O-CA 3.31Å; D31-G75 PolarHBondContact N-O 3.36Å; D31-G75 VanDerWaalsContact N-O 3.07Å; D31-G75 VanDerWaalsContact OD1-O 3.07Å; V73-G75 PolarHBondContact O-N 3.36Å; G75-R80 PolarHBondContact O-NE 2.66Å; G75-R80 PolarHBondContact O-NH2 3.19Å
76Q97Very high96.9Very high59 Ų5950.7 Ų50.728%0.27624%0.244SC..SBendtrans-62.9143.2-177.6-63.4-179.377.500109.8D31 M78 L79 R80D31-Q76 HydrophobicContact CB-CG 4.03Å; Q76-M78 VanDerWaalsContact C-N 3.25Å; Q76-M78 PolarHBondContact O-N 2.64Å; Q76-M78 VanDerWaalsContact O-N 3.09Å; Q76-L79 HydrophobicContact CB-CD1 4.23Å; Q76-L79 HydrophobicContact CB-CG 4.36Å; Q76-L79 WeakPolarHBondContact O-CA 3.5Å; Q76-L79 WeakPolarHBondContact O-CB 3.22Å; Q76-L79 PolarHBondContact O-N 3.48Å; Q76-R80 WeakPolarHBondContact O-CG 3.36Å; Q76-R80 PolarHBondContact O-N 2.95Å
77L97.2Very high97Very high121 Ų12148.9 Ų48.963%0.63424%0.237SC*.G310 helixtrans-47.3-46.1-174.1-178.162.2000113.5L79 R80L77-L79 PolarHBondContact O-N 3.46Å; L77-R80 PolarHBondContact O-N 3.49Å
78M96.1Very high96.8Very high159 Ų15950.2 Ų50.278%0.78324%0.244SC*.G310 helixtrans-65.5-19-179.6-62.3-61.9-67.800114.2Q76Q76-M78 VanDerWaalsContact C-N 3.25Å; Q76-M78 PolarHBondContact O-N 2.64Å; Q76-M78 VanDerWaalsContact O-N 3.09Å
79L95.3Very high96.5Very high38 Ų3856 Ų5620%0.19927%0.271CS..G310 helixtrans-96.3-16.3-177.6-62.3178.8000113.4Q76 L77 S81 Y82Q76-L79 HydrophobicContact CB-CD1 4.23Å; Q76-L79 HydrophobicContact CB-CG 4.36Å; Q76-L79 WeakPolarHBondContact O-CA 3.5Å; Q76-L79 WeakPolarHBondContact O-CB 3.22Å; Q76-L79 PolarHBondContact O-N 3.48Å; L77-L79 PolarHBondContact O-N 3.46Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 2.87Å; L79-Y82 WeakPolarHBondContact O-CB 3.27Å; L79-Y82 PolarHBondContact O-N 3.15Å
80R97.3Very high96.4Very high20 Ų2055 Ų558%0.07527%0.266CS..G310 helixtrans-66-30.4-171.2-56-174.7-169.6157.54.2113.5D31 G75 Q76 L77 Y82 W83 E111D31-R80 IonicContact OD1-NH2 2.65Å; D31-R80 PolarHBondContact OD1-NH2 3.36Å; G75-R80 PolarHBondContact O-NE 2.66Å; G75-R80 PolarHBondContact O-NH2 3.19Å; Q76-R80 WeakPolarHBondContact O-CG 3.36Å; Q76-R80 PolarHBondContact O-N 2.95Å; L77-R80 PolarHBondContact O-N 3.49Å; R80-Y82 PolarHBondContact O-N 2.85Å; R80-Y82 VanDerWaalsContact O-N 3.12Å; R80-W83 HydrophobicContact CB-CD2 4.07Å; R80-W83 HydrophobicContact CB-CE3 4.38Å; R80-W83 HydrophobicContact CB-CZ2 4.21Å; R80-W83 HydrophobicContact CG-CD2 4.41Å; R80-W83 HydrophobicContact CG-CH2 4.1Å; R80-W83 HydrophobicContact CG-CZ2 3.65Å; R80-W83 VanDerWaalsContact O-CB 3.25Å; R80-W83 WeakPolarHBondContact O-CB 3.36Å; R80-W83 VanDerWaalsContact O-CG 3.23Å; R80-W83 PolarHBondContact O-N 3.44Å; R80-E111 WeakPolarHBondContact CD-OE1 3.34Å; R80-E111 IonicContact CZ-OE1 3.36Å; R80-E111 IonicContact NE-OE1 3.19Å; R80-E111 IonicContact NH1-OE1 2.66Å; R80-E111 PolarHBondContact NH1-OE1 3.3Å
81S95.4Very high96.3Very high77 Ų7755.7 Ų55.754%0.53827%0.27SS..G310 helixtrans-61.1-19.8173.757.20000113.7L79L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 2.87Å
82Y96Very high96.3Very high126 Ų12653.3 Ų53.349%0.49426%0.261SS..G310 helixtrans-94.2-5.8177.9-57.8-82.1000113.5L79 R80 K84 N85 Y86L79-Y82 WeakPolarHBondContact O-CB 3.27Å; L79-Y82 PolarHBondContact O-N 3.15Å; R80-Y82 PolarHBondContact O-N 2.85Å; R80-Y82 VanDerWaalsContact O-N 3.12Å; Y82-K84 PolarHBondContact O-N 2.87Å; Y82-K84 VanDerWaalsContact O-N 3.17Å; Y82-N85 VanDerWaalsContact O-CB 3.28Å; Y82-N85 WeakPolarHBondContact O-CB 3.26Å; Y82-N85 PolarHBondContact O-N 2.77Å; Y82-Y86 WeakPolarHBondContact O-CE2 3.24Å
83W97.7Very high96.3Very high10 Ų1053.2 Ų53.24%0.03826%0.26CS..G310 helixtrans-53.1-38.9177.9-74-5.2000112.4I28 G29 V73 G74 R80 N85 Y86 F87 W95 E111I28-W83 HydrophobicContact CD1-CB 3.61Å; I28-W83 HydrophobicContact CD1-CD2 3.25Å; I28-W83 HydrophobicContact CD1-CE3 3.54Å; I28-W83 HydrophobicContact CD1-CG 3.32Å; I28-W83 HydrophobicContact CD1-CZ2 4.44Å; I28-W83 HydrophobicContact CD1-CZ3 4.24Å; I28-W83 HydrophobicContact CG1-CD2 3.61Å; I28-W83 HydrophobicContact CG1-CE3 3.91Å; I28-W83 HydrophobicContact CG1-CG 4.05Å; I28-W83 HydrophobicContact CG1-CH2 4.13Å; I28-W83 HydrophobicContact CG1-CZ2 3.84Å; I28-W83 HydrophobicContact CG1-CZ3 4.15Å; G29-W83 WeakPolarHBondContact O-CZ2 3.34Å; V73-W83 VanDerWaalsContact CG1-CD1 3.48Å; V73-W83 HydrophobicContact CG1-CG 4.49Å; G74-W83 PolarHBondContact O-NE1 3.18Å; R80-W83 HydrophobicContact CB-CD2 4.07Å; R80-W83 HydrophobicContact CB-CE3 4.38Å; R80-W83 HydrophobicContact CB-CZ2 4.21Å; R80-W83 HydrophobicContact CG-CD2 4.41Å; R80-W83 HydrophobicContact CG-CH2 4.1Å; R80-W83 HydrophobicContact CG-CZ2 3.65Å; R80-W83 VanDerWaalsContact O-CB 3.25Å; R80-W83 WeakPolarHBondContact O-CB 3.36Å; R80-W83 VanDerWaalsContact O-CG 3.23Å; R80-W83 PolarHBondContact O-N 3.44Å; W83-N85 PolarHBondContact O-N 3.38Å; W83-Y86 WeakPolarHBondContact O-CD2 3.36Å; W83-Y86 PolarHBondContact O-N 2.95Å; W83-F87 VanDerWaalsContact C-CE1 3.5Å; W83-F87 HydrophobicContact CB-CE1 3.98Å; W83-F87 HydrophobicContact CB-CZ 3.84Å; W83-F87 VanDerWaalsContact O-CD1 3.31Å; W83-F87 WeakPolarHBondContact O-CD1 3.37Å; W83-F87 WeakPolarHBondContact O-CE1 3.47Å; W83-W95 AromaticContact CH2-CH2 3.8Å; W83-W95 HydrophobicContact CH2-CH2 3.8Å; W83-W95 HydrophobicContact CH2-CZ3 4Å; W83-W95 AromaticContact CZ3-CH2 3.74Å; W83-W95 HydrophobicContact CZ3-CH2 3.74Å; W83-W95 AromaticContact CZ3-CZ3 3.74Å; W83-W95 HydrophobicContact CZ3-CZ3 3.74Å; W83-E111 HydrophobicContact CH2-CB 4.3Å; W83-E111 HydrophobicContact CZ3-CB 3.97Å
84K96.8Very high96.3Very high108 Ų10853.2 Ų53.247%0.4726%0.26SS..G310 helixtrans-58.2-18.117873.9178.3178.3175.90115Y82 Y86 F87 R120Y82-K84 PolarHBondContact O-N 2.87Å; Y82-K84 VanDerWaalsContact O-N 3.17Å; K84-Y86 PolarHBondContact O-N 3.3Å; K84-F87 VanDerWaalsContact CA-CE2 3.43Å; K84-F87 HydrophobicContact CB-CD2 4.1Å; K84-F87 HydrophobicContact CB-CE2 3.85Å; K84-F87 HydrophobicContact CB-CZ 4.49Å; K84-R120 PolarHBondContact O-NH1 2.81Å; K84-R120 PolarHBondContact O-NH2 2.9Å
85N96Very high96.4Very high100 Ų10053.1 Ų53.154%0.53526%0.259SS..G310 helixtrans-75.5-11.6176.6-60.9-11.1000112.1Y82 W83Y82-N85 VanDerWaalsContact O-CB 3.28Å; Y82-N85 WeakPolarHBondContact O-CB 3.26Å; Y82-N85 PolarHBondContact O-N 2.77Å; W83-N85 PolarHBondContact O-N 3.38Å
86Y96.2Very high96.5Very high31 Ų3153 Ų5312%0.12226%0.258CS..G310 helixtrans-1125.3-177-45.3-66.6000113.5R24 F56 W71 V73 Y82 W83 K84 T90R24-Y86 VanDerWaalsContact CZ-O 3.23Å; R24-Y86 PolarHBondContact NH1-O 2.97Å; R24-Y86 PolarHBondContact NH2-O 2.77Å; F56-Y86 HydrophobicContact CB-CE1 4.17Å; F56-Y86 HydrophobicContact CD1-CD1 4.23Å; F56-Y86 AromaticContact CD1-CE1 3.24Å; F56-Y86 HydrophobicContact CD1-CE1 3.24Å; F56-Y86 AromaticContact CD1-CZ 3.61Å; F56-Y86 WeakPolarHBondContact CD1-OH 3.33Å; F56-Y86 AromaticContact CE1-CE1 3.72Å; F56-Y86 HydrophobicContact CE1-CE1 3.72Å; F56-Y86 HydrophobicContact CG-CD1 4.42Å; F56-Y86 AromaticContact CG-CE1 3.79Å; F56-Y86 HydrophobicContact CG-CE1 3.79Å; W71-Y86 HydrophobicContact CE3-CD1 4.08Å; W71-Y86 HydrophobicContact CZ3-CD1 4.1Å; V73-Y86 HydrophobicContact CB-CD2 4.44Å; V73-Y86 HydrophobicContact CG1-CD2 3.77Å; V73-Y86 HydrophobicContact CG1-CE2 3.65Å; V73-Y86 HydrophobicContact CG2-CD2 3.72Å; V73-Y86 HydrophobicContact CG2-CE2 4.16Å; V73-Y86 HydrophobicContact CG2-CG 4.08Å; Y82-Y86 WeakPolarHBondContact O-CE2 3.24Å; W83-Y86 WeakPolarHBondContact O-CD2 3.36Å; W83-Y86 PolarHBondContact O-N 2.95Å; K84-Y86 PolarHBondContact O-N 3.3Å; Y86-T90 PolarHBondContact O-OG1 3.02Å
87F97.1Very high96.6Very high5 Ų550.3 Ų50.32%0.02225%0.245CC..  trans-80.4-25.8-175-63.5-12.6000113.7L26 I28 W83 K84 E89 T90 E118 R120 L121L26-F87 HydrophobicContact CD2-CD1 3.55Å; L26-F87 HydrophobicContact CD2-CE1 3.8Å; I28-F87 HydrophobicContact CD1-CE1 4.04Å; W83-F87 VanDerWaalsContact C-CE1 3.5Å; W83-F87 HydrophobicContact CB-CE1 3.98Å; W83-F87 HydrophobicContact CB-CZ 3.84Å; W83-F87 VanDerWaalsContact O-CD1 3.31Å; W83-F87 WeakPolarHBondContact O-CD1 3.37Å; W83-F87 WeakPolarHBondContact O-CE1 3.47Å; K84-F87 VanDerWaalsContact CA-CE2 3.43Å; K84-F87 HydrophobicContact CB-CD2 4.1Å; K84-F87 HydrophobicContact CB-CE2 3.85Å; K84-F87 HydrophobicContact CB-CZ 4.49Å; F87-E89 PolarHBondContact O-N 3.2Å; F87-T90 VanDerWaalsContact C-OG1 3.28Å; F87-T90 WeakPolarHBondContact O-CB 2.87Å; F87-T90 PolarHBondContact O-N 2.82Å; F87-T90 PolarHBondContact O-OG1 2.82Å; F87-E118 HydrophobicContact CD2-CB 4Å; F87-E118 HydrophobicContact CD2-CG 3.79Å; F87-E118 WeakPolarHBondContact CD2-OE2 3.48Å; F87-E118 HydrophobicContact CE2-CB 4.15Å; F87-E118 VanDerWaalsContact CE2-CD 3.5Å; F87-E118 HydrophobicContact CE2-CG 3.48Å; F87-E118 VanDerWaalsContact CE2-CG 3.48Å; F87-R120 HydrophobicContact CB-CB 4.07Å; F87-L121 HydrophobicContact CB-CD1 4.43Å; F87-L121 HydrophobicContact CB-CD2 3.94Å; F87-L121 HydrophobicContact CB-CG 4.03Å; F87-L121 HydrophobicContact CD1-CD1 3.88Å; F87-L121 HydrophobicContact CD1-CD2 4.35Å; F87-L121 HydrophobicContact CD1-CG 4.38Å; F87-L121 HydrophobicContact CD2-CD1 4.01Å; F87-L121 HydrophobicContact CD2-CG 4.29Å; F87-L121 HydrophobicContact CE1-CD1 4.09Å; F87-L121 HydrophobicContact CE2-CD1 4.25Å; F87-L121 HydrophobicContact CG-CD1 3.85Å; F87-L121 HydrophobicContact CG-CD2 4.2Å; F87-L121 HydrophobicContact CG-CG 3.99Å; F87-L121 HydrophobicContact CZ-CD1 4.28Å
88E92.2Very high96.6Very high111 Ų11145 Ų4552%0.51922%0.218SC..THydrogen-bonded Turntrans-55.4136.5-179-157.257.2-135.100111.5R24 T90 R120R24-E88 VanDerWaalsContact CZ-O 3.24Å; R24-E88 PolarHBondContact NH1-O 2.86Å; E88-T90 PolarHBondContact O-N 2.77Å; E88-T90 VanDerWaalsContact O-N 3.07Å; E88-R120 WeakPolarHBondContact OE2-CD 3.4Å
89E90Very high96.8Very high121 Ų12137.4 Ų37.457%0.56518%0.181SC*.THydrogen-bonded Turntrans5719179.1-60.3176.4174.700115.9R24 F87 D91R24-E89 WeakPolarHBondContact CB-O 3.42Å; R24-E89 WeakPolarHBondContact CD-O 3.4Å; F87-E89 PolarHBondContact O-N 3.2Å; E89-D91 PolarHBondContact O-N 2.87Å
90T96Very high96.9Very high6 Ų637.2 Ų37.24%0.03718%0.181CC..  trans-71.2119.2177.6-52.50000111.1R24 L26 Y86 F87 E88 G92 V93 L121R24-T90 PolarHBondContact NH1-OG1 2.83Å; L26-T90 HydrophobicContact CB-CG2 3.76Å; Y86-T90 PolarHBondContact O-OG1 3.02Å; F87-T90 VanDerWaalsContact C-OG1 3.28Å; F87-T90 WeakPolarHBondContact O-CB 2.87Å; F87-T90 PolarHBondContact O-N 2.82Å; F87-T90 PolarHBondContact O-OG1 2.82Å; E88-T90 PolarHBondContact O-N 2.77Å; E88-T90 VanDerWaalsContact O-N 3.07Å; T90-G92 WeakPolarHBondContact CG2-O 3.41Å; T90-V93 HydrophobicContact CG2-CG2 3.85Å; T90-L121 HydrophobicContact CG2-CD2 3.98Å
91D96Very high97Very high18 Ų1837.7 Ų37.710%0.09619%0.185CC..SBendtrans-84.9-32.3175.3-53.6-62.1000111.6K17 M23 R24 E89 S124 T125 I182 R185K17-D91 WeakPolarHBondContact CE-OD2 3.45Å; K17-D91 IonicContact NZ-OD1 3.87Å; K17-D91 PolarHBondContact NZ-OD1 2.83Å; K17-D91 IonicContact NZ-OD2 2.95Å; K17-D91 PolarHBondContact NZ-OD2 3.34Å; M23-D91 WeakPolarHBondContact CA-OD2 3.39Å; R24-D91 PolarHBondContact N-OD2 3.22Å; R24-D91 PolarHBondContact O-N 3Å; E89-D91 PolarHBondContact O-N 2.87Å; D91-S124 WeakPolarHBondContact O-CA 3.36Å; D91-T125 PolarHBondContact O-N 2.86Å; D91-I182 HydrophobicContact CB-CD1 4.27Å; D91-I182 HydrophobicContact CB-CG2 3.76Å; D91-R185 PolarHBondContact O-NH2 2.53Å
92G98.2Very high97.1Very high0 Ų037.6 Ų37.60%018%0.181CC..EExtended strand (participates in β ladder)trans-147.5147.2177.400000114.2R24 I25 L26 T90 T125R24-G92 PolarHBondContact O-N 3.28Å; I25-G92 CarbonylContact C-O 3.55Å; I25-G92 VanDerWaalsContact CA-O 3.3Å; I25-G92 WeakPolarHBondContact CA-O 3.45Å; L26-G92 PolarHBondContact N-O 3.16Å; T90-G92 WeakPolarHBondContact CG2-O 3.41Å; G92-T125 CarbonylContact C-O 3.52Å; G92-T125 VanDerWaalsContact CA-O 3.23Å; G92-T125 WeakPolarHBondContact CA-O 3.47Å
93V98.8Very high97.3Very high0 Ų040.4 Ų40.40%020%0.199CC..EExtended strand (participates in β ladder)trans-113.8131.3176.5178.60000109.1L26 I28 T90 L115 L121 T125 L126 A127L26-V93 CarbonylContact O-C 3.59Å; L26-V93 WeakPolarHBondContact O-CA 3.43Å; I28-V93 HydrophobicContact CG2-CG1 3.86Å; T90-V93 HydrophobicContact CG2-CG2 3.85Å; V93-L115 HydrophobicContact CG1-CD1 4.17Å; V93-L115 HydrophobicContact CG1-CD2 4.32Å; V93-L121 HydrophobicContact CG2-CD1 4.31Å; V93-L121 HydrophobicContact CG2-CD2 3.98Å; V93-T125 PolarHBondContact N-O 3.46Å; V93-L126 HydrophobicContact CB-CD1 4.03Å; V93-L126 HydrophobicContact CG1-CD1 3.88Å; V93-L126 CarbonylContact O-C 3.47Å; V93-L126 WeakPolarHBondContact O-CA 3.15Å; V93-A127 PolarHBondContact O-N 3.18Å
94I98.9Very high97.3Very high3 Ų342.7 Ų42.72%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-103.8105.3166.6-63.1177.5000107.3I25 L26 V27 I28 V96 A127 L129 I175 L178I25-I94 HydrophobicContact CG2-CD1 3.7Å; I25-I94 HydrophobicContact CG2-CG1 3.86Å; L26-I94 PolarHBondContact O-N 2.81Å; V27-I94 WeakPolarHBondContact CA-O 3.39Å; V27-I94 HydrophobicContact CB-CB 4.49Å; V27-I94 HydrophobicContact CG1-CB 4.36Å; V27-I94 HydrophobicContact CG1-CG2 4.22Å; V27-I94 HydrophobicContact CG2-CB 4.17Å; V27-I94 HydrophobicContact CG2-CD1 4.18Å; I28-I94 PolarHBondContact N-O 2.77Å; I28-I94 VanDerWaalsContact O-O 3.13Å; I94-V96 HydrophobicContact CG2-CG2 3.92Å; I94-A127 CarbonylContact C-O 3.56Å; I94-A127 VanDerWaalsContact CA-O 3.3Å; I94-A127 WeakPolarHBondContact CA-O 3.25Å; I94-A127 HydrophobicContact CG1-CB 4.38Å; I94-L129 HydrophobicContact CG2-CD1 3.47Å; I94-L129 VanDerWaalsContact CG2-CD1 3.47Å; I94-L129 HydrophobicContact CG2-CG 3.77Å; I94-I175 HydrophobicContact CD1-CD1 3.43Å; I94-I175 VanDerWaalsContact CD1-CD1 3.43Å; I94-L178 HydrophobicContact CD1-CD2 3.84Å; I94-L178 HydrophobicContact CG1-CD2 3.58Å
95W98.9Very high97.4Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-90.2114.2173.7-176.4-99.1000110.2I28 W83 C108 E111 L112 L115 L126 A127 I128 L129I28-W95 HydrophobicContact CG2-CE3 3.63Å; I28-W95 HydrophobicContact CG2-CZ3 3.91Å; I28-W95 CarbonylContact O-C 3.57Å; I28-W95 WeakPolarHBondContact O-CA 3.33Å; W83-W95 AromaticContact CH2-CH2 3.8Å; W83-W95 HydrophobicContact CH2-CH2 3.8Å; W83-W95 HydrophobicContact CH2-CZ3 4Å; W83-W95 AromaticContact CZ3-CH2 3.74Å; W83-W95 HydrophobicContact CZ3-CH2 3.74Å; W83-W95 AromaticContact CZ3-CZ3 3.74Å; W83-W95 HydrophobicContact CZ3-CZ3 3.74Å; W95-C108 WeakPolarHBondContact CZ2-O 3.37Å; W95-C108 PolarHBondContact NE1-SG 3.16Å; W95-C108 VanDerWaalsContact NE1-SG 3.43Å; W95-E111 HydrophobicContact CH2-CB 3.64Å; W95-E111 HydrophobicContact CZ2-CB 4.18Å; W95-L112 HydrophobicContact CB-CD1 4.4Å; W95-L112 HydrophobicContact CD2-CB 4.32Å; W95-L112 HydrophobicContact CD2-CD1 3.87Å; W95-L112 HydrophobicContact CE3-CD1 4.27Å; W95-L112 HydrophobicContact CG-CD1 3.88Å; W95-L112 HydrophobicContact CH2-CB 4.41Å; W95-L112 HydrophobicContact CZ2-CB 3.87Å; W95-L115 HydrophobicContact CE3-CD1 3.87Å; W95-L115 HydrophobicContact CZ3-CD1 3.88Å; W95-L126 HydrophobicContact CB-CD1 3.81Å; W95-A127 PolarHBondContact N-O 3.28Å; W95-I128 HydrophobicContact CB-CG1 4.31Å; W95-I128 CarbonylContact O-C 3.56Å; W95-I128 WeakPolarHBondContact O-CA 3.44Å; W95-L129 PolarHBondContact O-N 2.65Å
96V99Very high97.5Very high0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-98.8123.7-176.7-171.70000110.7V27 I28 A33 K35 I38 I94 L129 N131V27-V96 HydrophobicContact CG1-CG2 3.91Å; I28-V96 PolarHBondContact O-N 2.99Å; A33-V96 HydrophobicContact CB-CB 4.33Å; A33-V96 HydrophobicContact CB-CG1 3.98Å; A33-V96 VanDerWaalsContact O-CG1 3.26Å; A33-V96 WeakPolarHBondContact O-CG1 3.24Å; K35-V96 HydrophobicContact CG-CB 3.8Å; K35-V96 HydrophobicContact CG-CG1 4.39Å; K35-V96 HydrophobicContact CG-CG2 3.73Å; I38-V96 HydrophobicContact CD1-CB 4.5Å; I38-V96 HydrophobicContact CD1-CG1 3.65Å; I38-V96 HydrophobicContact CD1-CG2 3.95Å; I94-V96 HydrophobicContact CG2-CG2 3.92Å; V96-L129 HydrophobicContact CG2-CB 4.46Å; V96-N131 HydrophobicContact CG1-CB 3.79Å
97V98.9Very high97.6Very high2 Ų239.1 Ų39.11%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-110130.6177.3-174.10000108.4S99 F105 I128 L129 N131 I144 L148V97-S99 PolarHBondContact O-N 3.43Å; V97-F105 HydrophobicContact CG1-CE1 4.12Å; V97-I128 HydrophobicContact CG2-CG2 3.92Å; V97-L129 PolarHBondContact N-O 2.67Å; V97-N131 WeakPolarHBondContact O-CB 3.35Å; V97-N131 PolarHBondContact O-N 3.26Å; V97-I144 HydrophobicContact CG1-CD1 4.39Å; V97-I144 HydrophobicContact CG1-CG2 4.09Å; V97-L148 HydrophobicContact CG1-CD2 4.26Å; V97-L148 HydrophobicContact CG2-CD2 3.61Å
98D98.8Very high97.7Very high10 Ų1039.1 Ų39.15%0.05319%0.193CC..EExtended strand (participates in β ladder)trans-77.3113.3170-169.5-19.4000109.4A33 T100 D101 F105 K132A33-D98 HydrophobicContact CB-CB 4.33Å; D98-T100 PolarHBondContact O-N 3.42Å; D98-T100 PolarHBondContact OD1-N 3.11Å; D98-T100 VanDerWaalsContact OD1-N 3.16Å; D98-T100 PolarHBondContact OD1-OG1 3.12Å; D98-D101 HydrophobicContact CB-CB 3.71Å; D98-D101 PolarHBondContact O-N 2.95Å; D98-F105 VanDerWaalsContact O-CE1 3.3Å; D98-F105 WeakPolarHBondContact O-CE1 3.5Å; D98-K132 VanDerWaalsContact OD1-CD 3.31Å; D98-K132 WeakPolarHBondContact OD1-CD 3.37Å; D98-K132 IonicContact OD1-NZ 3.12Å; D98-K132 VanDerWaalsContact OD2-CE 3.31Å; D98-K132 WeakPolarHBondContact OD2-CE 3.27Å; D98-K132 IonicContact OD2-NZ 2.64Å; D98-K132 PolarHBondContact OD2-NZ 3.36Å
99S98.9Very high98Very high0 Ų035.4 Ų35.40%017%0.174CC..THydrogen-bonded Turntrans-72.6-8.2-175.1-52.80000113.9V97 A130 N131 Q133 V139 I144V97-S99 PolarHBondContact O-N 3.43Å; S99-A130 PolarHBondContact OG-O 3.35Å; S99-N131 WeakPolarHBondContact CB-O 3.28Å; S99-N131 PolarHBondContact N-O 3.45Å; S99-N131 PolarHBondContact OG-N 3.28Å; S99-N131 PolarHBondContact OG-O 3.25Å; S99-Q133 PolarHBondContact OG-NE2 2.93Å; S99-V139 VanDerWaalsContact O-CG2 3.3Å; S99-V139 WeakPolarHBondContact O-CG2 3.49Å; S99-V139 PolarHBondContact O-N 2.66Å; S99-I144 WeakPolarHBondContact OG-CD1 3.31Å
100T98.7Very high98.4Very high33 Ų3334.6 Ų34.620%0.20217%0.169CC..THydrogen-bonded Turntrans-101.1-15.2178.274.30000112.5D98 V102 K132 L135 D137 A138D98-T100 PolarHBondContact O-N 3.42Å; D98-T100 PolarHBondContact OD1-N 3.11Å; D98-T100 VanDerWaalsContact OD1-N 3.16Å; D98-T100 PolarHBondContact OD1-OG1 3.12Å; T100-V102 VanDerWaalsContact C-N 3.33Å; T100-V102 PolarHBondContact O-N 3.4Å; T100-V102 VanDerWaalsContact O-N 3.1Å; T100-K132 HydrophobicContact CG2-CB 4.48Å; T100-L135 HydrophobicContact CG2-CB 3.81Å; T100-L135 HydrophobicContact CG2-CD1 3.75Å; T100-L135 HydrophobicContact CG2-CG 4.36Å; T100-D137 VanDerWaalsContact CG2-OD1 3.23Å; T100-D137 WeakPolarHBondContact CG2-OD1 3.43Å; T100-A138 HydrophobicContact CG2-CB 4.2Å
101D98.5Very high98.6Very high30 Ų3036.4 Ų36.416%0.1618%0.177CC..  trans-94.458.4-169.4-164.3-9.6000112.8D98 E103 R104 F105D98-D101 HydrophobicContact CB-CB 3.71Å; D98-D101 PolarHBondContact O-N 2.95Å; D101-E103 PolarHBondContact O-N 2.85Å; D101-R104 PolarHBondContact O-N 3.17Å; D101-R104 VanDerWaalsContact O-N 3.08Å; D101-R104 WeakPolarHBondContact OD1-CG 3.49Å; D101-R104 IonicContact OD1-NE 3Å; D101-R104 IonicContact OD2-CZ 3.55Å; D101-R104 IonicContact OD2-NE 3.16Å; D101-R104 PolarHBondContact OD2-NE 3.42Å; D101-R104 IonicContact OD2-NH2 2.85Å; D101-R104 PolarHBondContact OD2-NH2 2.9Å; D101-F105 WeakPolarHBondContact O-CD1 3.39Å; D101-F105 WeakPolarHBondContact O-CE1 3.45Å
102V98.5Very high98.7Very high76 Ų7635.7 Ų35.746%0.46117%0.173SC..G310 helixtrans-58-34.2-176.9-1790000111.5T100 R104 F105 V139T100-V102 VanDerWaalsContact C-N 3.33Å; T100-V102 PolarHBondContact O-N 3.4Å; T100-V102 VanDerWaalsContact O-N 3.1Å; V102-R104 PolarHBondContact O-N 3.49Å; V102-F105 HydrophobicContact CB-CE2 4.46Å; V102-F105 HydrophobicContact CG1-CD2 4.24Å; V102-F105 HydrophobicContact CG1-CE2 4.46Å; V102-F105 HydrophobicContact CG2-CE2 4.1Å; V102-F105 HydrophobicContact CG2-CZ 4.17Å; V102-F105 WeakPolarHBondContact O-CB 3.27Å; V102-F105 PolarHBondContact O-N 2.84Å; V102-F105 VanDerWaalsContact O-N 3.12Å; V102-V139 HydrophobicContact CG2-CG1 3.66Å
103E98.5Very high98.6Very high185 Ų18539 Ų3986%0.86419%0.188SC*.G310 helixtrans-58.6-30.2179.1-62.8-17217000112.7D101D101-E103 PolarHBondContact O-N 2.85Å
104R98.6Very high98.5Very high57 Ų5742 Ų4222%0.21521%0.209CC..G310 helixtrans-101.28.7-179.9-62.1-163.9-63.7164.16.6114L30 D31 D101 V102 E106 N107 C108L30-R104 HydrophobicContact CD1-CB 3.97Å; D31-R104 VanDerWaalsContact CG-NH1 3.34Å; D31-R104 PolarHBondContact O-NH2 2.95Å; D31-R104 IonicContact OD1-NH1 3.87Å; D31-R104 PolarHBondContact OD1-NH1 3.35Å; D31-R104 IonicContact OD2-CZ 3.91Å; D31-R104 IonicContact OD2-NH1 2.83Å; D31-R104 PolarHBondContact OD2-NH1 3.28Å; D31-R104 IonicContact OD2-NH2 3.65Å; D101-R104 PolarHBondContact O-N 3.17Å; D101-R104 VanDerWaalsContact O-N 3.08Å; D101-R104 WeakPolarHBondContact OD1-CG 3.49Å; D101-R104 IonicContact OD1-NE 3Å; D101-R104 IonicContact OD2-CZ 3.55Å; D101-R104 IonicContact OD2-NE 3.16Å; D101-R104 PolarHBondContact OD2-NE 3.42Å; D101-R104 IonicContact OD2-NH2 2.85Å; D101-R104 PolarHBondContact OD2-NH2 2.9Å; V102-R104 PolarHBondContact O-N 3.49Å; R104-E106 VanDerWaalsContact C-N 3.31Å; R104-E106 PolarHBondContact O-N 3.12Å; R104-N107 PolarHBondContact O-N 3.16Å; R104-N107 VanDerWaalsContact O-N 3.11Å; R104-C108 WeakPolarHBondContact O-CB 3.21Å; R104-C108 PolarHBondContact O-N 2.64Å
105F98.8Very high98.4Very high13 Ų1342.1 Ų42.16%0.05721%0.21CC..Hα-helixtrans-60.8-37.2178.6-79.66.5000113.5V97 D98 D101 V102 N107 C108 R109 V139 I144 A147 L148V97-F105 HydrophobicContact CG1-CE1 4.12Å; D98-F105 VanDerWaalsContact O-CE1 3.3Å; D98-F105 WeakPolarHBondContact O-CE1 3.5Å; D101-F105 WeakPolarHBondContact O-CD1 3.39Å; D101-F105 WeakPolarHBondContact O-CE1 3.45Å; V102-F105 HydrophobicContact CB-CE2 4.46Å; V102-F105 HydrophobicContact CG1-CD2 4.24Å; V102-F105 HydrophobicContact CG1-CE2 4.46Å; V102-F105 HydrophobicContact CG2-CE2 4.1Å; V102-F105 HydrophobicContact CG2-CZ 4.17Å; V102-F105 WeakPolarHBondContact O-CB 3.27Å; V102-F105 PolarHBondContact O-N 2.84Å; V102-F105 VanDerWaalsContact O-N 3.12Å; F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 2.95Å; F105-C108 WeakPolarHBondContact O-CB 3.49Å; F105-C108 PolarHBondContact O-N 3.12Å; F105-R109 WeakPolarHBondContact O-CB 3.3Å; F105-R109 PolarHBondContact O-N 3Å; F105-V139 HydrophobicContact CE2-CG2 3.82Å; F105-V139 HydrophobicContact CZ-CG2 3.71Å; F105-I144 HydrophobicContact CE2-CG1 4.05Å; F105-I144 HydrophobicContact CZ-CG1 3.81Å; F105-A147 HydrophobicContact CB-CB 4.23Å; F105-A147 HydrophobicContact CD2-CB 3.47Å; F105-A147 VanDerWaalsContact CD2-CB 3.47Å; F105-A147 HydrophobicContact CE2-CB 4.22Å; F105-A147 HydrophobicContact CG-CB 4.25Å; F105-L148 HydrophobicContact CB-CD1 4.32Å; F105-L148 HydrophobicContact CD2-CD1 4.36Å; F105-L148 HydrophobicContact CG-CD1 4.17Å
106E98.7Very high98.3Very high79 Ų7943.6 Ų43.637%0.36922%0.218SC..Hα-helixtrans-64.3-38.9175.8175.159-172.200111.8R104 R109 K110R104-E106 VanDerWaalsContact C-N 3.31Å; R104-E106 PolarHBondContact O-N 3.12Å; E106-R109 IonicContact OE1-CZ 2.64Å; E106-R109 IonicContact OE1-NH2 3.53Å; E106-R109 PolarHBondContact OE1-NH2 2.97Å; E106-R109 IonicContact OE2-CZ 3.26Å; E106-R109 VanDerWaalsContact OE2-CZ 3.26Å; E106-R109 IonicContact OE2-NE 3.69Å; E106-R109 PolarHBondContact OE2-NE 3.21Å; E106-R109 IonicContact OE2-NH2 2.87Å; E106-R109 PolarHBondContact OE2-NH2 3.19Å; E106-K110 WeakPolarHBondContact O-CG 3.35Å; E106-K110 PolarHBondContact O-N 3.39Å; E106-K110 WeakPolarHBondContact OE1-CE 3.37Å; E106-K110 IonicContact OE1-NZ 3.09Å; E106-K110 PolarHBondContact OE1-NZ 3.32Å
107N98.6Very high98.1Very high72 Ų7249.1 Ų49.139%0.38525%0.251SS..Hα-helixtrans-68.4-44.5174.8-68.310.7000110.3L30 R104 F105 R109 K110 E111L30-N107 HydrophobicContact CD1-CB 4.35Å; R104-N107 PolarHBondContact O-N 3.16Å; R104-N107 VanDerWaalsContact O-N 3.11Å; F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 2.95Å; N107-R109 VanDerWaalsContact C-N 3.3Å; N107-R109 PolarHBondContact O-N 3.14Å; N107-K110 PolarHBondContact O-N 3.34Å; N107-E111 WeakPolarHBondContact O-CG 3.36Å; N107-E111 PolarHBondContact O-N 3.18Å
108C98.8Very high97.9Very high5 Ų551.5 Ų51.53%0.03426%0.262CS..Hα-helixtrans-55.9-46.1176.2-170.40000111.3L30 W95 R104 F105 E111 L112L30-C108 HydrophobicContact CD1-CB 3.86Å; L30-C108 HydrophobicContact CG-CB 4.2Å; W95-C108 WeakPolarHBondContact CZ2-O 3.37Å; W95-C108 PolarHBondContact NE1-SG 3.16Å; W95-C108 VanDerWaalsContact NE1-SG 3.43Å; R104-C108 WeakPolarHBondContact O-CB 3.21Å; R104-C108 PolarHBondContact O-N 2.64Å; F105-C108 WeakPolarHBondContact O-CB 3.49Å; F105-C108 PolarHBondContact O-N 3.12Å; C108-E111 PolarHBondContact O-N 2.52Å; C108-L112 WeakPolarHBondContact O-CB 3.1Å; C108-L112 PolarHBondContact O-N 3.28Å
109R98.8Very high97.7Very high34 Ų3458.8 Ų58.813%0.12830%0.295CS..Hα-helixtrans-60.4-48.3176.4-176.5-176.171.283-2.4112.3F105 E106 N107 E111 L112 Q113 A147F105-R109 WeakPolarHBondContact O-CB 3.3Å; F105-R109 PolarHBondContact O-N 3Å; E106-R109 IonicContact OE1-CZ 2.64Å; E106-R109 IonicContact OE1-NH2 3.53Å; E106-R109 PolarHBondContact OE1-NH2 2.97Å; E106-R109 IonicContact OE2-CZ 3.26Å; E106-R109 VanDerWaalsContact OE2-CZ 3.26Å; E106-R109 IonicContact OE2-NE 3.69Å; E106-R109 PolarHBondContact OE2-NE 3.21Å; E106-R109 IonicContact OE2-NH2 2.87Å; E106-R109 PolarHBondContact OE2-NH2 3.19Å; N107-R109 VanDerWaalsContact C-N 3.3Å; N107-R109 PolarHBondContact O-N 3.14Å; R109-E111 VanDerWaalsContact C-N 3.32Å; R109-E111 PolarHBondContact O-N 3.41Å; R109-L112 PolarHBondContact O-N 2.96Å; R109-Q113 HydrophobicContact CG-CG 4.45Å; R109-Q113 VanDerWaalsContact NH1-CD 3.35Å; R109-Q113 WeakPolarHBondContact O-CB 3.05Å; R109-Q113 VanDerWaalsContact O-CG 3.31Å; R109-Q113 WeakPolarHBondContact O-CG 3.42Å; R109-Q113 PolarHBondContact O-N 3.37Å; R109-A147 WeakPolarHBondContact CD-O 3.44Å
110K98.6Very high97.5Very high104 Ų10463 Ų6345%0.45231%0.311SS..Hα-helixtrans-59.9-42.7179.8-77.9173.3175.6153.90112.2E106 N107 Q113 S114E106-K110 WeakPolarHBondContact O-CG 3.35Å; E106-K110 PolarHBondContact O-N 3.39Å; E106-K110 WeakPolarHBondContact OE1-CE 3.37Å; E106-K110 IonicContact OE1-NZ 3.09Å; E106-K110 PolarHBondContact OE1-NZ 3.32Å; N107-K110 PolarHBondContact O-N 3.34Å; K110-Q113 PolarHBondContact O-N 3.32Å; K110-S114 WeakPolarHBondContact O-CB 3.19Å; K110-S114 PolarHBondContact O-N 3.44Å; K110-S114 PolarHBondContact O-OG 2.76Å
111E98.4Very high97.4Very high44 Ų4461.4 Ų61.421%0.20630%0.302CS..Hα-helixtrans-69.3-41.5179.3-60.3-74.4-170.700111L30 R80 W83 W95 N107 C108 R109 S114 L115L30-E111 HydrophobicContact CD2-CB 4.38Å; L30-E111 HydrophobicContact CD2-CG 3.94Å; R80-E111 WeakPolarHBondContact CD-OE1 3.34Å; R80-E111 IonicContact CZ-OE1 3.36Å; R80-E111 IonicContact NE-OE1 3.19Å; R80-E111 IonicContact NH1-OE1 2.66Å; R80-E111 PolarHBondContact NH1-OE1 3.3Å; W83-E111 HydrophobicContact CH2-CB 4.3Å; W83-E111 HydrophobicContact CZ3-CB 3.97Å; W95-E111 HydrophobicContact CH2-CB 3.64Å; W95-E111 HydrophobicContact CZ2-CB 4.18Å; N107-E111 WeakPolarHBondContact O-CG 3.36Å; N107-E111 PolarHBondContact O-N 3.18Å; C108-E111 PolarHBondContact O-N 2.52Å; R109-E111 VanDerWaalsContact C-N 3.32Å; R109-E111 PolarHBondContact O-N 3.41Å; E111-S114 PolarHBondContact O-N 3.47Å; E111-L115 PolarHBondContact O-N 2.99Å
112L98.5Very high97Very high2 Ų264.6 Ų64.61%0.0132%0.318CS..Hα-helixtrans-61.7-44.2173.5177.858.8000111.9W95 C108 R109 S114 L115 L116 L126 I128 L148 L150W95-L112 HydrophobicContact CB-CD1 4.4Å; W95-L112 HydrophobicContact CD2-CB 4.32Å; W95-L112 HydrophobicContact CD2-CD1 3.87Å; W95-L112 HydrophobicContact CE3-CD1 4.27Å; W95-L112 HydrophobicContact CG-CD1 3.88Å; W95-L112 HydrophobicContact CH2-CB 4.41Å; W95-L112 HydrophobicContact CZ2-CB 3.87Å; C108-L112 WeakPolarHBondContact O-CB 3.1Å; C108-L112 PolarHBondContact O-N 3.28Å; R109-L112 PolarHBondContact O-N 2.96Å; L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.09Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 2.76Å; L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.21Å; L112-L116 HydrophobicContact CG-CD1 4.03Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.43Å; L112-L116 PolarHBondContact O-N 3.39Å; L112-L126 HydrophobicContact CD1-CD2 4.21Å; L112-I128 HydrophobicContact CD2-CD1 4.42Å; L112-L148 HydrophobicContact CD2-CD2 4.31Å; L112-L150 HydrophobicContact CD2-CD2 3.82Å
113Q97.4Very high96.5Very high71 Ų7165 Ų6533%0.33232%0.324SS..Hα-helixtrans-63.3-37.6177-74.6-177.8-6.600112.1R109 K110 L115 L116R109-Q113 HydrophobicContact CG-CG 4.45Å; R109-Q113 VanDerWaalsContact NH1-CD 3.35Å; R109-Q113 WeakPolarHBondContact O-CB 3.05Å; R109-Q113 VanDerWaalsContact O-CG 3.31Å; R109-Q113 WeakPolarHBondContact O-CG 3.42Å; R109-Q113 PolarHBondContact O-N 3.37Å; K110-Q113 PolarHBondContact O-N 3.32Å; Q113-L115 VanDerWaalsContact C-N 3.32Å; Q113-L116 PolarHBondContact O-N 3.09Å
114S96.2Very high96.4Very high62 Ų6256.3 Ų56.343%0.43428%0.283SS..Hα-helixtrans-65.5-38.1174.6-560000111.3K110 E111 L112 V117K110-S114 WeakPolarHBondContact O-CB 3.19Å; K110-S114 PolarHBondContact O-N 3.44Å; K110-S114 PolarHBondContact O-OG 2.76Å; E111-S114 PolarHBondContact O-N 3.47Å; L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.09Å; S114-V117 VanDerWaalsContact O-CG2 3.24Å; S114-V117 WeakPolarHBondContact O-CG2 3.31Å
115L96.2Very high96.3Very high6 Ų653.6 Ų53.63%0.03127%0.273CS..Hα-helixtrans-66.2-41.5175.8-175.1152.6000112.3I28 V93 W95 E111 L112 Q113 V117 E118 L121I28-L115 HydrophobicContact CD1-CD1 4.44Å; I28-L115 HydrophobicContact CG2-CD1 3.58Å; V93-L115 HydrophobicContact CG1-CD1 4.17Å; V93-L115 HydrophobicContact CG1-CD2 4.32Å; W95-L115 HydrophobicContact CE3-CD1 3.87Å; W95-L115 HydrophobicContact CZ3-CD1 3.88Å; E111-L115 PolarHBondContact O-N 2.99Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 2.76Å; Q113-L115 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.85Å; L115-E118 WeakPolarHBondContact O-CB 3.37Å; L115-E118 PolarHBondContact O-N 3.1Å; L115-E118 VanDerWaalsContact O-N 3.16Å; L115-L121 HydrophobicContact CD1-CD1 4.29Å; L115-L121 HydrophobicContact CD2-CD1 3.68Å; L115-L121 HydrophobicContact CG-CD1 3.59Å
116L96.1Very high96.3Very high31 Ų3153 Ų5316%0.16227%0.271CS..Hα-helixtrans-67.2-16.8-176.6-74.3168.1000114.7L112 Q113 L126 I153 H156L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.21Å; L112-L116 HydrophobicContact CG-CD1 4.03Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.43Å; L112-L116 PolarHBondContact O-N 3.39Å; Q113-L116 PolarHBondContact O-N 3.09Å; L116-L126 HydrophobicContact CD2-CD2 3.79Å; L116-I153 HydrophobicContact CD1-CD1 4.12Å; L116-I153 HydrophobicContact CD1-CG1 3.73Å; L116-I153 HydrophobicContact CD1-CG2 4.36Å; L116-I153 HydrophobicContact CD2-CG2 3.94Å; L116-H156 PolarHBondContact O-CE1 3.44Å; L116-H156 VanDerWaalsContact O-CE1 3.26Å
117V94.9Very high96.3Very high115 Ų11549.3 Ų49.370%0.69725%0.254SS*.THydrogen-bonded Turntrans-98.92177.4-60.70000112.8S114 L115 E119S114-V117 VanDerWaalsContact O-CG2 3.24Å; S114-V117 WeakPolarHBondContact O-CG2 3.31Å; L115-V117 PolarHBondContact O-N 2.85Å; V117-E119 PolarHBondContact O-N 2.86Å
118E96.2Very high96.4Very high53 Ų5345.9 Ų45.925%0.24824%0.235CC..  trans-75.1117.8178.7-72.4-84.2167.500110.7F87 L115 R120 L121 I122F87-E118 HydrophobicContact CD2-CB 4Å; F87-E118 HydrophobicContact CD2-CG 3.79Å; F87-E118 WeakPolarHBondContact CD2-OE2 3.48Å; F87-E118 HydrophobicContact CE2-CB 4.15Å; F87-E118 VanDerWaalsContact CE2-CD 3.5Å; F87-E118 HydrophobicContact CE2-CG 3.48Å; F87-E118 VanDerWaalsContact CE2-CG 3.48Å; L115-E118 WeakPolarHBondContact O-CB 3.37Å; L115-E118 PolarHBondContact O-N 3.1Å; L115-E118 VanDerWaalsContact O-N 3.16Å; E118-R120 PolarHBondContact O-N 3.07Å; E118-R120 VanDerWaalsContact O-N 3.12Å; E118-R120 IonicContact OE2-CZ 2.66Å; E118-R120 IonicContact OE2-NE 2.82Å; E118-R120 IonicContact OE2-NH2 2.7Å; E118-R120 PolarHBondContact OE2-NH2 2.88Å; E118-L121 HydrophobicContact CB-CB 4.35Å; E118-L121 HydrophobicContact CB-CD1 4.2Å; E118-L121 HydrophobicContact CB-CG 4.26Å; E118-L121 PolarHBondContact O-N 2.82Å; E118-I122 PolarHBondContact O-N 2.95Å
119E94.3Very high96.4Very high162 Ų16245.9 Ų45.976%0.75724%0.235SC*.G310 helixtrans-55.3-36.5-176.1-66.4-177.417000113V117 L121 I122V117-E119 PolarHBondContact O-N 2.86Å; E119-L121 PolarHBondContact O-N 2.84Å; E119-I122 HydrophobicContact CB-CD1 4.19Å; E119-I122 HydrophobicContact CG-CD1 4.28Å; E119-I122 WeakPolarHBondContact O-CG1 3.28Å; E119-I122 PolarHBondContact O-N 2.94Å
120R95.3Very high96.4Very high89 Ų8944.2 Ų44.234%0.33623%0.229SC..G310 helixtrans-69-11.5179-68.3168.1-68.11609.1113.9K84 F87 E88 E118K84-R120 PolarHBondContact O-NH1 2.81Å; K84-R120 PolarHBondContact O-NH2 2.9Å; F87-R120 HydrophobicContact CB-CB 4.07Å; E88-R120 WeakPolarHBondContact OE2-CD 3.4Å; E118-R120 PolarHBondContact O-N 3.07Å; E118-R120 VanDerWaalsContact O-N 3.12Å; E118-R120 IonicContact OE2-CZ 2.66Å; E118-R120 IonicContact OE2-NE 2.82Å; E118-R120 IonicContact OE2-NH2 2.7Å; E118-R120 PolarHBondContact OE2-NH2 2.88Å
121L96.2Very high96.4Very high0 Ų039.5 Ų39.50%021%0.208CC..G310 helixtrans-111.3-3178.8-62.9-179.2000113.4F87 T90 V93 L115 E118 E119 S123 S124 H156F87-L121 HydrophobicContact CB-CD1 4.43Å; F87-L121 HydrophobicContact CB-CD2 3.94Å; F87-L121 HydrophobicContact CB-CG 4.03Å; F87-L121 HydrophobicContact CD1-CD1 3.88Å; F87-L121 HydrophobicContact CD1-CD2 4.35Å; F87-L121 HydrophobicContact CD1-CG 4.38Å; F87-L121 HydrophobicContact CD2-CD1 4.01Å; F87-L121 HydrophobicContact CD2-CG 4.29Å; F87-L121 HydrophobicContact CE1-CD1 4.09Å; F87-L121 HydrophobicContact CE2-CD1 4.25Å; F87-L121 HydrophobicContact CG-CD1 3.85Å; F87-L121 HydrophobicContact CG-CD2 4.2Å; F87-L121 HydrophobicContact CG-CG 3.99Å; F87-L121 HydrophobicContact CZ-CD1 4.28Å; T90-L121 HydrophobicContact CG2-CD2 3.98Å; V93-L121 HydrophobicContact CG2-CD1 4.31Å; V93-L121 HydrophobicContact CG2-CD2 3.98Å; L115-L121 HydrophobicContact CD1-CD1 4.29Å; L115-L121 HydrophobicContact CD2-CD1 3.68Å; L115-L121 HydrophobicContact CG-CD1 3.59Å; E118-L121 HydrophobicContact CB-CB 4.35Å; E118-L121 HydrophobicContact CB-CD1 4.2Å; E118-L121 HydrophobicContact CB-CG 4.26Å; E118-L121 PolarHBondContact O-N 2.82Å; E119-L121 PolarHBondContact O-N 2.84Å; L121-S123 PolarHBondContact O-N 3.34Å; L121-S123 VanDerWaalsContact O-N 3.1Å; L121-S124 VanDerWaalsContact O-CB 3.31Å; L121-S124 WeakPolarHBondContact O-CB 3.42Å; L121-S124 PolarHBondContact O-N 3.47Å; L121-S124 PolarHBondContact O-OG 2.86Å; L121-H156 PolarHBondContact O-NE2 3.14Å
122I89.2Confident96.4Very high97 Ų9739 Ų3950%0.49721%0.206SC..THydrogen-bonded Turntrans-53.1-38-176.5-72.3172.7000112.4E118 E119E118-I122 PolarHBondContact O-N 2.95Å; E119-I122 HydrophobicContact CB-CD1 4.19Å; E119-I122 HydrophobicContact CG-CD1 4.28Å; E119-I122 WeakPolarHBondContact O-CG1 3.28Å; E119-I122 PolarHBondContact O-N 2.94Å
123S88.1Confident96.4Very high83 Ų8341.9 Ų41.958%0.5822%0.219SC*.THydrogen-bonded Turntrans-937.8179.963.30000113.9L121 R185L121-S123 PolarHBondContact O-N 3.34Å; L121-S123 VanDerWaalsContact O-N 3.1Å; S123-R185 VanDerWaalsContact O-CZ 3.28Å; S123-R185 PolarHBondContact O-NH1 2.96Å; S123-R185 PolarHBondContact O-NH2 3.29Å; S123-R185 VanDerWaalsContact O-NH2 3.12Å
124S96Very high96.5Very high3 Ų341.1 Ų41.12%0.02122%0.217CC..  trans-85.7144.1-17972.10000111.5D91 L121D91-S124 WeakPolarHBondContact O-CA 3.36Å; L121-S124 VanDerWaalsContact O-CB 3.31Å; L121-S124 WeakPolarHBondContact O-CB 3.42Å; L121-S124 PolarHBondContact O-N 3.47Å; L121-S124 PolarHBondContact O-OG 2.86Å
125T98.2Very high96.6Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-79.1135.7170.1-54.50000109.3D91 G92 V93 H157 W177 L178 D181 R185D91-T125 PolarHBondContact O-N 2.86Å; G92-T125 CarbonylContact C-O 3.52Å; G92-T125 VanDerWaalsContact CA-O 3.23Å; G92-T125 WeakPolarHBondContact CA-O 3.47Å; V93-T125 PolarHBondContact N-O 3.46Å; T125-H157 HydrophobicContact CG2-CB 4.39Å; T125-W177 HydrophobicContact CG2-CH2 3.51Å; T125-W177 HydrophobicContact CG2-CZ2 4.38Å; T125-W177 HydrophobicContact CG2-CZ3 3.67Å; T125-L178 HydrophobicContact CG2-CD1 3.58Å; T125-D181 WeakPolarHBondContact CB-OD2 3.2Å; T125-D181 HydrophobicContact CG2-CB 3.91Å; T125-D181 WeakPolarHBondContact CG2-OD2 3.44Å; T125-D181 PolarHBondContact OG1-OD2 3Å; T125-R185 PolarHBondContact OG1-NE 2.94Å; T125-R185 PolarHBondContact OG1-NH2 2.94Å
126L98.7Very high96.6Very high2 Ų249.6 Ų49.61%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-108.8109.1-179.4174.963.5000112V93 W95 L112 L116 I128 I153 H157 W158 R159V93-L126 HydrophobicContact CB-CD1 4.03Å; V93-L126 HydrophobicContact CG1-CD1 3.88Å; V93-L126 CarbonylContact O-C 3.47Å; V93-L126 WeakPolarHBondContact O-CA 3.15Å; W95-L126 HydrophobicContact CB-CD1 3.81Å; L112-L126 HydrophobicContact CD1-CD2 4.21Å; L116-L126 HydrophobicContact CD2-CD2 3.79Å; L126-I128 HydrophobicContact CD1-CG1 4.3Å; L126-I128 HydrophobicContact CD2-CD1 4.23Å; L126-I128 HydrophobicContact CD2-CG1 4.22Å; L126-I128 HydrophobicContact CG-CG1 4.01Å; L126-I153 HydrophobicContact CD2-CD1 4.18Å; L126-H157 PolarHBondContact N-O 3.43Å; L126-W158 HydrophobicContact CB-CB 3.84Å; L126-W158 HydrophobicContact CD2-CB 4.18Å; L126-W158 HydrophobicContact CG-CB 4.16Å; L126-W158 WeakPolarHBondContact O-CA 2.98Å; L126-W158 WeakPolarHBondContact O-CB 3.38Å; L126-R159 PolarHBondContact O-N 3.06Å; L126-R159 VanDerWaalsContact O-N 3.14Å
127A98.8Very high96.6Very high1 Ų153 Ų531%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-93.2122.5165.400000109.7V93 I94 W95 W177 L178V93-A127 PolarHBondContact O-N 3.18Å; I94-A127 CarbonylContact C-O 3.56Å; I94-A127 VanDerWaalsContact CA-O 3.3Å; I94-A127 WeakPolarHBondContact CA-O 3.25Å; I94-A127 HydrophobicContact CG1-CB 4.38Å; W95-A127 PolarHBondContact N-O 3.28Å; A127-W177 HydrophobicContact CB-CE3 4.36Å; A127-W177 HydrophobicContact CB-CZ3 4.11Å; A127-L178 HydrophobicContact CB-CB 4.3Å; A127-L178 HydrophobicContact CB-CD1 4.12Å; A127-L178 HydrophobicContact CB-CD2 4.33Å; A127-L178 HydrophobicContact CB-CG 4.49Å
128I98.9Very high96.8Very high0 Ų048.7 Ų48.70%025%0.252CS..EExtended strand (participates in β ladder)trans-98.6120.1173.2-58.4173.2000107.9W95 V97 L112 L126 L150 I153 W158 R159 C160 F161W95-I128 HydrophobicContact CB-CG1 4.31Å; W95-I128 CarbonylContact O-C 3.56Å; W95-I128 WeakPolarHBondContact O-CA 3.44Å; V97-I128 HydrophobicContact CG2-CG2 3.92Å; L112-I128 HydrophobicContact CD2-CD1 4.42Å; L126-I128 HydrophobicContact CD1-CG1 4.3Å; L126-I128 HydrophobicContact CD2-CD1 4.23Å; L126-I128 HydrophobicContact CD2-CG1 4.22Å; L126-I128 HydrophobicContact CG-CG1 4.01Å; I128-L150 HydrophobicContact CD1-CD1 3.87Å; I128-L150 HydrophobicContact CD1-CD2 3.56Å; I128-L150 HydrophobicContact CD1-CG 4.32Å; I128-I153 HydrophobicContact CD1-CD1 4.02Å; I128-W158 HydrophobicContact CD1-CE3 3.97Å; I128-W158 HydrophobicContact CD1-CZ3 4.35Å; I128-R159 PolarHBondContact N-O 3.04Å; I128-C160 HydrophobicContact CB-CB 4.11Å; I128-C160 HydrophobicContact CG2-CB 4.42Å; I128-C160 CarbonylContact O-C 3.59Å; I128-C160 VanDerWaalsContact O-CA 3.28Å; I128-C160 WeakPolarHBondContact O-CA 3.49Å; I128-F161 PolarHBondContact O-N 3.04Å
129L98.9Very high96.9Very high4 Ų447.6 Ų47.62%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-103.9102.7177.9-65.9-169.7000109I38 I94 W95 V96 V97 N131 F161 L171I38-L129 HydrophobicContact CD1-CD1 4.03Å; I38-L129 HydrophobicContact CG2-CD1 4.22Å; I94-L129 HydrophobicContact CG2-CD1 3.47Å; I94-L129 VanDerWaalsContact CG2-CD1 3.47Å; I94-L129 HydrophobicContact CG2-CG 3.77Å; W95-L129 PolarHBondContact O-N 2.65Å; V96-L129 HydrophobicContact CG2-CB 4.46Å; V97-L129 PolarHBondContact N-O 2.67Å; L129-N131 VanDerWaalsContact C-N 3.3Å; L129-N131 PolarHBondContact O-N 3.1Å; L129-F161 HydrophobicContact CD2-CB 3.99Å; L129-F161 HydrophobicContact CD2-CD2 4.24Å; L129-F161 HydrophobicContact CD2-CG 4.48Å; L129-L171 HydrophobicContact CD1-CD2 4.32Å
130A98.9Very high97.1Very high0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-74.387.3168.500000108.1S99 Q133 I144 F161 C163S99-A130 PolarHBondContact OG-O 3.35Å; A130-Q133 VanDerWaalsContact O-CG 3.27Å; A130-Q133 WeakPolarHBondContact O-CG 3.08Å; A130-I144 HydrophobicContact CB-CD1 3.48Å; A130-I144 VanDerWaalsContact CB-CD1 3.48Å; A130-F161 PolarHBondContact N-O 2.86Å; A130-C163 PolarHBondContact O-N 3.33Å
131N98.9Very high97.2Very high4 Ų441.2 Ų41.22%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-86164.8-169.3-17335.5000112.5A33 I38 V96 V97 S99 L129 C163 S164 G165A33-N131 PolarHBondContact O-ND2 3.47Å; I38-N131 HydrophobicContact CD1-CB 4.14Å; V96-N131 HydrophobicContact CG1-CB 3.79Å; V97-N131 WeakPolarHBondContact O-CB 3.35Å; V97-N131 PolarHBondContact O-N 3.26Å; S99-N131 WeakPolarHBondContact CB-O 3.28Å; S99-N131 PolarHBondContact N-O 3.45Å; S99-N131 PolarHBondContact OG-N 3.28Å; S99-N131 PolarHBondContact OG-O 3.25Å; L129-N131 VanDerWaalsContact C-N 3.3Å; L129-N131 PolarHBondContact O-N 3.1Å; N131-C163 CarbonylContact C-O 3.59Å; N131-C163 WeakPolarHBondContact CA-O 3.48Å; N131-S164 WeakPolarHBondContact OD1-CA 3.4Å; N131-G165 PolarHBondContact OD1-N 3Å
132K98.7Very high97.3Very high35 Ų3546.5 Ų46.515%0.15226%0.255CS..  trans68.230.9-179.7-46.6-166.5-167.5169.10114.2N32 D98 T100 D134 L135 A138 C163N32-K132 PolarHBondContact ND2-NZ 2.72Å; N32-K132 VanDerWaalsContact ND2-NZ 3.16Å; N32-K132 WeakPolarHBondContact O-CE 3.4Å; N32-K132 PolarHBondContact O-NZ 2.7Å; D98-K132 VanDerWaalsContact OD1-CD 3.31Å; D98-K132 WeakPolarHBondContact OD1-CD 3.37Å; D98-K132 IonicContact OD1-NZ 3.12Å; D98-K132 VanDerWaalsContact OD2-CE 3.31Å; D98-K132 WeakPolarHBondContact OD2-CE 3.27Å; D98-K132 IonicContact OD2-NZ 2.64Å; D98-K132 PolarHBondContact OD2-NZ 3.36Å; T100-K132 HydrophobicContact CG2-CB 4.48Å; K132-D134 WeakPolarHBondContact CA-OD1 3.25Å; K132-D134 PolarHBondContact O-N 2.89Å; K132-D134 VanDerWaalsContact O-N 3.15Å; K132-L135 HydrophobicContact CB-CD1 3.91Å; K132-L135 HydrophobicContact CB-CG 4.2Å; K132-L135 HydrophobicContact CD-CD1 3.94Å; K132-L135 PolarHBondContact O-N 3.06Å; K132-L135 VanDerWaalsContact O-N 3.11Å; K132-A138 WeakPolarHBondContact O-CB 3.42Å; K132-C163 PolarHBondContact N-O 3.23Å; K132-C163 VanDerWaalsContact N-O 3.12Å
133Q98.7Very high97.8Very high62 Ų6244.9 Ų44.929%0.2925%0.25SC..THydrogen-bonded Turntrans-67.4-7.6175.9-67.8-75-31.900113.3S99 A130 L135 V139 P162 C163S99-Q133 PolarHBondContact OG-NE2 2.93Å; A130-Q133 VanDerWaalsContact O-CG 3.27Å; A130-Q133 WeakPolarHBondContact O-CG 3.08Å; Q133-L135 VanDerWaalsContact C-N 3.28Å; Q133-V139 PolarHBondContact NE2-O 3.26Å; Q133-P162 HydrophobicContact CG-CB 3.96Å; Q133-C163 WeakPolarHBondContact CB-O 3.22Å; Q133-C163 WeakPolarHBondContact CG-O 3.41Å; Q133-C163 PolarHBondContact N-O 2.85Å; Q133-C163 VanDerWaalsContact N-O 3.07Å
134D98.3Very high98.3Very high54 Ų5440.9 Ų40.929%0.28922%0.222SC..THydrogen-bonded Turntrans-74.9-13.7170.357.9-72.3000113.8K132 S164 L166 T167K132-D134 WeakPolarHBondContact CA-OD1 3.25Å; K132-D134 PolarHBondContact O-N 2.89Å; K132-D134 VanDerWaalsContact O-N 3.15Å; D134-S164 WeakPolarHBondContact OD1-CB 3.47Å; D134-S164 PolarHBondContact OD1-OG 3.49Å; D134-L166 WeakPolarHBondContact OD2-CD2 2.98Å; D134-T167 HydrophobicContact CB-CG2 3.98Å
135L98.5Very high98.4Very high71 Ų7143 Ų4337%0.37223%0.232SC..SBendtrans-89.3142.7-178.9-58.5-177.1000111.6T100 K132 Q133 D137 A138T100-L135 HydrophobicContact CG2-CB 3.81Å; T100-L135 HydrophobicContact CG2-CD1 3.75Å; T100-L135 HydrophobicContact CG2-CG 4.36Å; K132-L135 HydrophobicContact CB-CD1 3.91Å; K132-L135 HydrophobicContact CB-CG 4.2Å; K132-L135 HydrophobicContact CD-CD1 3.94Å; K132-L135 PolarHBondContact O-N 3.06Å; K132-L135 VanDerWaalsContact O-N 3.11Å; Q133-L135 VanDerWaalsContact C-N 3.28Å; L135-D137 WeakPolarHBondContact CB-OD1 3.2Å; L135-D137 PolarHBondContact O-N 3.05Å; L135-A138 WeakPolarHBondContact O-CB 3.26Å; L135-A138 PolarHBondContact O-N 3.07Å; L135-A138 VanDerWaalsContact O-N 3.1Å
136N96.5Very high98.4Very high176 Ų17647.4 Ų47.494%0.94126%0.255SS*.THydrogen-bonded Turntrans-64.1-26.3-174.7-68.3-35.4000114
137D96.7Very high98.4Very high103 Ų10349 Ų4955%0.55127%0.269SS*.THydrogen-bonded Turntrans-94.66.6179.660.1-24.6000113T100 L135 V139T100-D137 VanDerWaalsContact CG2-OD1 3.23Å; T100-D137 WeakPolarHBondContact CG2-OD1 3.43Å; L135-D137 WeakPolarHBondContact CB-OD1 3.2Å; L135-D137 PolarHBondContact O-N 3.05Å; D137-V139 PolarHBondContact O-N 3.05Å
138A98.7Very high98.4Very high24 Ų2449.1 Ų49.120%0.19827%0.269CS..PPolyproline II helixtrans-64.2127.2175.200000111T100 K132 L135T100-A138 HydrophobicContact CG2-CB 4.2Å; K132-A138 WeakPolarHBondContact O-CB 3.42Å; L135-A138 WeakPolarHBondContact O-CB 3.26Å; L135-A138 PolarHBondContact O-N 3.07Å; L135-A138 VanDerWaalsContact O-N 3.1Å
139V98.7Very high98.4Very high30 Ų3051.7 Ų51.718%0.18228%0.281CS..PPolyproline II helixtrans-78.9158.6174.2-590000111.4S99 V102 F105 Q133 D137 T143 I144S99-V139 VanDerWaalsContact O-CG2 3.3Å; S99-V139 WeakPolarHBondContact O-CG2 3.49Å; S99-V139 PolarHBondContact O-N 2.66Å; V102-V139 HydrophobicContact CG2-CG1 3.66Å; F105-V139 HydrophobicContact CE2-CG2 3.82Å; F105-V139 HydrophobicContact CZ-CG2 3.71Å; Q133-V139 PolarHBondContact NE2-O 3.26Å; D137-V139 PolarHBondContact O-N 3.05Å; V139-T143 HydrophobicContact CB-CG2 3.95Å; V139-T143 HydrophobicContact CG1-CG2 4.29Å; V139-T143 HydrophobicContact CG2-CG2 3.98Å; V139-I144 HydrophobicContact CG2-CD1 4.18Å; V139-I144 HydrophobicContact CG2-CG1 3.76Å
140S98.2Very high98.4Very high59 Ų5951.5 Ų51.541%0.41328%0.28SS..PPolyproline II helixtrans-64156.8176.476.80000112.3Q142 T143 I144S140-Q142 PolarHBondContact O-N 3.36Å; S140-Q142 PolarHBondContact OG-N 2.88Å; S140-T143 WeakPolarHBondContact O-CB 3.28Å; S140-T143 PolarHBondContact O-N 2.84Å; S140-T143 VanDerWaalsContact O-N 3.1Å; S140-T143 PolarHBondContact OG-N 3.03Å; S140-T143 VanDerWaalsContact OG-N 3.13Å; S140-T143 PolarHBondContact OG-OG1 2.86Å; S140-I144 PolarHBondContact O-N 2.76Å; S140-I144 VanDerWaalsContact O-N 3.15Å
141I97.9Very high98.3Very high58 Ų5855.2 Ų55.230%0.29730%0.3SS..Hα-helixtrans-55.9-36.8170.6-55.2168.8000111T143 I144 H145 C160 P162I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 2.83Å; I141-I144 CarbonylContact O-C 3.6Å; I141-I144 PolarHBondContact O-N 2.84Å; I141-H145 VanDerWaalsContact O-CB 3.23Å; I141-H145 WeakPolarHBondContact O-CB 3.46Å; I141-H145 PolarHBondContact O-N 3.43Å; I141-C160 HydrophobicContact CG2-CB 4.33Å; I141-P162 HydrophobicContact CD1-CB 3.63Å; I141-P162 HydrophobicContact CD1-CG 3.49Å; I141-P162 VanDerWaalsContact CD1-CG 3.49Å; I141-P162 HydrophobicContact CG1-CB 3.79Å; I141-P162 HydrophobicContact CG1-CG 4.24Å
142Q98.4Very high98.2Very high110 Ų11060.6 Ų60.651%0.51432%0.323SS..Hα-helixtrans-62-42.7179.5-172.859.550.500110.8S140 I144 H145 D146S140-Q142 PolarHBondContact O-N 3.36Å; S140-Q142 PolarHBondContact OG-N 2.88Å; Q142-I144 VanDerWaalsContact C-N 3.34Å; Q142-I144 PolarHBondContact O-N 2.84Å; Q142-H145 WeakPolarHBondContact O-CB 3.33Å; Q142-H145 PolarHBondContact O-N 3.43Å; Q142-D146 VanDerWaalsContact NE2-CG 3.33Å; Q142-D146 PolarHBondContact NE2-OD1 3.37Å; Q142-D146 PolarHBondContact NE2-OD2 2.99Å; Q142-D146 VanDerWaalsContact NE2-OD2 3.14Å; Q142-D146 PolarHBondContact O-N 2.79Å
143T98.7Very high98.1Very high63 Ų6359.5 Ų59.539%0.38732%0.319SS..Hα-helixtrans-60.7-43.2175-50.70000111.7V139 S140 I141 A147V139-T143 HydrophobicContact CB-CG2 3.95Å; V139-T143 HydrophobicContact CG1-CG2 4.29Å; V139-T143 HydrophobicContact CG2-CG2 3.98Å; S140-T143 WeakPolarHBondContact O-CB 3.28Å; S140-T143 PolarHBondContact O-N 2.84Å; S140-T143 VanDerWaalsContact O-N 3.1Å; S140-T143 PolarHBondContact OG-N 3.03Å; S140-T143 VanDerWaalsContact OG-N 3.13Å; S140-T143 PolarHBondContact OG-OG1 2.86Å; I141-T143 VanDerWaalsContact C-N 3.31Å; I141-T143 PolarHBondContact O-N 2.83Å; T143-A147 WeakPolarHBondContact O-CB 3.45Å; T143-A147 PolarHBondContact O-N 2.89Å
144I98.8Very high97.8Very high0 Ų065 Ų650%034%0.337CS..Hα-helixtrans-65.9-43.1175.7-67.8168.5000110.7V97 S99 F105 A130 V139 S140 I141 Q142 D146 A147 L148V97-I144 HydrophobicContact CG1-CD1 4.39Å; V97-I144 HydrophobicContact CG1-CG2 4.09Å; S99-I144 WeakPolarHBondContact OG-CD1 3.31Å; F105-I144 HydrophobicContact CE2-CG1 4.05Å; F105-I144 HydrophobicContact CZ-CG1 3.81Å; A130-I144 HydrophobicContact CB-CD1 3.48Å; A130-I144 VanDerWaalsContact CB-CD1 3.48Å; V139-I144 HydrophobicContact CG2-CD1 4.18Å; V139-I144 HydrophobicContact CG2-CG1 3.76Å; S140-I144 PolarHBondContact O-N 2.76Å; S140-I144 VanDerWaalsContact O-N 3.15Å; I141-I144 CarbonylContact O-C 3.6Å; I141-I144 PolarHBondContact O-N 2.84Å; Q142-I144 VanDerWaalsContact C-N 3.34Å; Q142-I144 PolarHBondContact O-N 2.84Å; I144-D146 VanDerWaalsContact C-N 3.31Å; I144-D146 PolarHBondContact O-N 3.28Å; I144-A147 PolarHBondContact O-N 2.82Å; I144-L148 HydrophobicContact CG2-CD1 4.05Å; I144-L148 HydrophobicContact CG2-CD2 3.96Å; I144-L148 WeakPolarHBondContact O-CB 3.23Å; I144-L148 WeakPolarHBondContact O-CD1 3.39Å; I144-L148 PolarHBondContact O-N 3.38Å
145H98.7Very high97.3Very high47 Ų4765.8 Ų65.822%0.21836%0.358CS..Hα-helixtrans-56.2-47.8179.1177.2-79.8000111.2I141 Q142 Q149 L150I141-H145 VanDerWaalsContact O-CB 3.23Å; I141-H145 WeakPolarHBondContact O-CB 3.46Å; I141-H145 PolarHBondContact O-N 3.43Å; Q142-H145 WeakPolarHBondContact O-CB 3.33Å; Q142-H145 PolarHBondContact O-N 3.43Å; H145-Q149 WeakPolarHBondContact O-CA 3.37Å; H145-Q149 PolarHBondContact O-N 3.07Å; H145-L150 HydrophobicContact CB-CD1 4.28Å; H145-L150 PolarHBondContact O-N 3.2Å
146D98.6Very high97.1Very high92 Ų9263.5 Ų63.549%0.49235%0.346SS..Hα-helixtrans-72.9-44-179.1-60.8-21.8000111.5Q142 I144 L148 Q149Q142-D146 VanDerWaalsContact NE2-CG 3.33Å; Q142-D146 PolarHBondContact NE2-OD1 3.37Å; Q142-D146 PolarHBondContact NE2-OD2 2.99Å; Q142-D146 VanDerWaalsContact NE2-OD2 3.14Å; Q142-D146 PolarHBondContact O-N 2.79Å; I144-D146 VanDerWaalsContact C-N 3.31Å; I144-D146 PolarHBondContact O-N 3.28Å; D146-L148 VanDerWaalsContact C-N 3.35Å; D146-L148 PolarHBondContact O-N 3.24Å; D146-Q149 PolarHBondContact O-N 2.83Å
147A98.6Very high97.1Very high36 Ų3660.1 Ų60.130%0.29832%0.324SS..Hα-helixtrans-64.4-37.9-179.600000112.7F105 R109 T143 I144F105-A147 HydrophobicContact CB-CB 4.23Å; F105-A147 HydrophobicContact CD2-CB 3.47Å; F105-A147 VanDerWaalsContact CD2-CB 3.47Å; F105-A147 HydrophobicContact CE2-CB 4.22Å; F105-A147 HydrophobicContact CG-CB 4.25Å; R109-A147 WeakPolarHBondContact CD-O 3.44Å; T143-A147 WeakPolarHBondContact O-CB 3.45Å; T143-A147 PolarHBondContact O-N 2.89Å; I144-A147 PolarHBondContact O-N 2.82Å
148L98.7Very high97.2Very high4 Ų458.6 Ų58.62%0.02131%0.311CS..Hα-helixtrans-89.3-4.5178.7-77.260.5000112.5V97 F105 L112 I144 D146 L150V97-L148 HydrophobicContact CG1-CD2 4.26Å; V97-L148 HydrophobicContact CG2-CD2 3.61Å; F105-L148 HydrophobicContact CB-CD1 4.32Å; F105-L148 HydrophobicContact CD2-CD1 4.36Å; F105-L148 HydrophobicContact CG-CD1 4.17Å; L112-L148 HydrophobicContact CD2-CD2 4.31Å; I144-L148 HydrophobicContact CG2-CD1 4.05Å; I144-L148 HydrophobicContact CG2-CD2 3.96Å; I144-L148 WeakPolarHBondContact O-CB 3.23Å; I144-L148 WeakPolarHBondContact O-CD1 3.39Å; I144-L148 PolarHBondContact O-N 3.38Å; D146-L148 VanDerWaalsContact C-N 3.35Å; D146-L148 PolarHBondContact O-N 3.24Å; L148-L150 VanDerWaalsContact C-N 3.33Å; L148-L150 HydrophobicContact CB-CD2 3.57Å; L148-L150 HydrophobicContact CB-CG 4.03Å; L148-L150 HydrophobicContact CD2-CD2 4.3Å; L148-L150 PolarHBondContact O-N 3.45Å
149Q98.5Very high97.2Very high53 Ų5364 Ų6425%0.24833%0.326CS..THydrogen-bonded Turntrans5547.6-178.2-55.717610.500111.9H145 D146 D151 K152H145-Q149 WeakPolarHBondContact O-CA 3.37Å; H145-Q149 PolarHBondContact O-N 3.07Å; D146-Q149 PolarHBondContact O-N 2.83Å; Q149-D151 WeakPolarHBondContact CA-OD1 3.33Å; Q149-D151 PolarHBondContact O-N 3.04Å; Q149-K152 HydrophobicContact CB-CD 3.99Å; Q149-K152 HydrophobicContact CB-CG 4.15Å; Q149-K152 WeakPolarHBondContact O-CB 3.47Å; Q149-K152 PolarHBondContact O-N 3.09Å
150L98.5Very high97.2Very high0 Ų063.4 Ų63.40%032%0.323CS..G310 helixtrans-64.8-25.4-176-56.2-173.8000111.9L112 I128 H145 L148 K152 I153 W158 C160L112-L150 HydrophobicContact CD2-CD2 3.82Å; I128-L150 HydrophobicContact CD1-CD1 3.87Å; I128-L150 HydrophobicContact CD1-CD2 3.56Å; I128-L150 HydrophobicContact CD1-CG 4.32Å; H145-L150 HydrophobicContact CB-CD1 4.28Å; H145-L150 PolarHBondContact O-N 3.2Å; L148-L150 VanDerWaalsContact C-N 3.33Å; L148-L150 HydrophobicContact CB-CD2 3.57Å; L148-L150 HydrophobicContact CB-CG 4.03Å; L148-L150 HydrophobicContact CD2-CD2 4.3Å; L148-L150 PolarHBondContact O-N 3.45Å; L150-K152 PolarHBondContact O-N 2.96Å; L150-K152 VanDerWaalsContact O-N 3.09Å; L150-I153 HydrophobicContact CB-CD1 4.29Å; L150-I153 HydrophobicContact CD2-CD1 3.82Å; L150-I153 WeakPolarHBondContact O-CB 3.35Å; L150-I153 WeakPolarHBondContact O-CG1 3.36Å; L150-I153 PolarHBondContact O-N 3.25Å; L150-W158 HydrophobicContact CB-CH2 3.54Å; L150-W158 HydrophobicContact CB-CZ2 4.09Å; L150-W158 HydrophobicContact CB-CZ3 3.95Å; L150-W158 HydrophobicContact CD1-CH2 4.31Å; L150-W158 HydrophobicContact CD1-CZ3 3.95Å; L150-W158 VanDerWaalsContact O-CZ2 3.23Å; L150-W158 WeakPolarHBondContact O-CZ2 3.01Å; L150-C160 HydrophobicContact CD1-CB 4.23Å
151D96.8Very high97.2Very high78 Ų7861.4 Ų61.442%0.41731%0.307SS..G310 helixtrans-58.8-16170.268-58000113.8Q149 R154Q149-D151 WeakPolarHBondContact CA-OD1 3.33Å; Q149-D151 PolarHBondContact O-N 3.04Å; D151-R154 VanDerWaalsContact O-CZ 3.24Å; D151-R154 PolarHBondContact O-NH1 3.2Å; D151-R154 PolarHBondContact O-NH2 3.47Å
152K96.6Very high97.2Very high118 Ų11860.4 Ų60.451%0.51330%0.304SS..G310 helixtrans-94.2-5.4176.7-60.3-172-175.9174.50113.9Q149 L150 R154Q149-K152 HydrophobicContact CB-CD 3.99Å; Q149-K152 HydrophobicContact CB-CG 4.15Å; Q149-K152 WeakPolarHBondContact O-CB 3.47Å; Q149-K152 PolarHBondContact O-N 3.09Å; L150-K152 PolarHBondContact O-N 2.96Å; L150-K152 VanDerWaalsContact O-N 3.09Å; K152-R154 PolarHBondContact O-N 2.98Å
153I96.8Very high97.2Very high12 Ų1255.2 Ų55.26%0.06228%0.28CS..  trans-66.1124.1176.8-59.6179.7000108.8L116 L126 I128 L150 H156 W158L116-I153 HydrophobicContact CD1-CD1 4.12Å; L116-I153 HydrophobicContact CD1-CG1 3.73Å; L116-I153 HydrophobicContact CD1-CG2 4.36Å; L116-I153 HydrophobicContact CD2-CG2 3.94Å; L126-I153 HydrophobicContact CD2-CD1 4.18Å; I128-I153 HydrophobicContact CD1-CD1 4.02Å; L150-I153 HydrophobicContact CB-CD1 4.29Å; L150-I153 HydrophobicContact CD2-CD1 3.82Å; L150-I153 WeakPolarHBondContact O-CB 3.35Å; L150-I153 WeakPolarHBondContact O-CG1 3.36Å; L150-I153 PolarHBondContact O-N 3.25Å; I153-H156 HydrophobicContact CG2-CB 4.2Å; I153-W158 HydrophobicContact CB-CG 4.47Å; I153-W158 HydrophobicContact CD1-CD2 4.12Å; I153-W158 HydrophobicContact CD1-CE3 4.49Å; I153-W158 HydrophobicContact CD1-CG 4.34Å; I153-W158 HydrophobicContact CG2-CG 4.01Å
154R91.8Very high97.2Very high176 Ų17652.2 Ų52.266%0.66426%0.262SS*.  trans-127.9154.8178.4-61.4-68.6175.1-84.1-3.4109.2D151 K152 H156D151-R154 VanDerWaalsContact O-CZ 3.24Å; D151-R154 PolarHBondContact O-NH1 3.2Å; D151-R154 PolarHBondContact O-NH2 3.47Å; K152-R154 PolarHBondContact O-N 2.98Å; R154-H156 PolarHBondContact O-N 2.92Å; R154-H156 VanDerWaalsContact O-N 3.12Å; R154-H156 PolarHBondContact O-ND1 2.6Å; R154-H156 VanDerWaalsContact O-ND1 3.11Å
155G89.1Confident97.2Very high72 Ų7252.2 Ų52.274%0.74226%0.262SS*.SBendtrans74.4-6.517500000116
156H93.8Very high97.2Very high23 Ų2354.3 Ų54.311%0.10627%0.274CS..SBendtrans-116.2140.7179.9-64.874.2000110.7L116 L121 I153 R154 W158L116-H156 PolarHBondContact O-CE1 3.44Å; L116-H156 VanDerWaalsContact O-CE1 3.26Å; L121-H156 PolarHBondContact O-NE2 3.14Å; I153-H156 HydrophobicContact CG2-CB 4.2Å; R154-H156 PolarHBondContact O-N 2.92Å; R154-H156 VanDerWaalsContact O-N 3.12Å; R154-H156 PolarHBondContact O-ND1 2.6Å; R154-H156 VanDerWaalsContact O-ND1 3.11Å; H156-W158 PolarHBondContact O-N 2.74Å
157H96.5Very high97.1Very high105 Ų10553.1 Ų53.149%0.48627%0.27SS..  trans-73.9119.5161.6-72.9-151.9000107.4T125 L126 D181T125-H157 HydrophobicContact CG2-CB 4.39Å; L126-H157 PolarHBondContact N-O 3.43Å; H157-D181 IonicContact CE1-OD1 3.37Å; H157-D181 IonicContact CG-OD1 3.97Å; H157-D181 IonicContact CG-OD2 3.82Å; H157-D181 IonicContact ND1-OD1 2.79Å; H157-D181 PolarHBondContact ND1-OD1 3.15Å; H157-D181 IonicContact ND1-OD2 3.04Å
158W98.1Very high97.1Very high71 Ų7152.4 Ų52.427%0.26927%0.266SS..EExtended strand (participates in β ladder)trans-144.1154.1-177.275.1-87.8000113.3L126 I128 L150 I153 H156 C160L126-W158 HydrophobicContact CB-CB 3.84Å; L126-W158 HydrophobicContact CD2-CB 4.18Å; L126-W158 HydrophobicContact CG-CB 4.16Å; L126-W158 WeakPolarHBondContact O-CA 2.98Å; L126-W158 WeakPolarHBondContact O-CB 3.38Å; I128-W158 HydrophobicContact CD1-CE3 3.97Å; I128-W158 HydrophobicContact CD1-CZ3 4.35Å; L150-W158 HydrophobicContact CB-CH2 3.54Å; L150-W158 HydrophobicContact CB-CZ2 4.09Å; L150-W158 HydrophobicContact CB-CZ3 3.95Å; L150-W158 HydrophobicContact CD1-CH2 4.31Å; L150-W158 HydrophobicContact CD1-CZ3 3.95Å; L150-W158 VanDerWaalsContact O-CZ2 3.23Å; L150-W158 WeakPolarHBondContact O-CZ2 3.01Å; I153-W158 HydrophobicContact CB-CG 4.47Å; I153-W158 HydrophobicContact CD1-CD2 4.12Å; I153-W158 HydrophobicContact CD1-CE3 4.49Å; I153-W158 HydrophobicContact CD1-CG 4.34Å; I153-W158 HydrophobicContact CG2-CG 4.01Å; H156-W158 PolarHBondContact O-N 2.74Å; W158-C160 HydrophobicContact CZ3-CB 4.17Å
159R98.5Very high97.1Very high136 Ų13656.7 Ų56.751%0.51329%0.29SS..EExtended strand (participates in β ladder)trans-151146.3170.8-172.5164.6179.5178.24110.9L126 I128 F161 W177L126-R159 PolarHBondContact O-N 3.06Å; L126-R159 VanDerWaalsContact O-N 3.14Å; I128-R159 PolarHBondContact N-O 3.04Å; R159-F161 HydrophobicContact CB-CE2 3.7Å; R159-F161 HydrophobicContact CB-CZ 3.92Å; R159-F161 VanDerWaalsContact CD-CZ 3.45Å; R159-F161 HydrophobicContact CG-CD2 4.39Å; R159-F161 HydrophobicContact CG-CE1 4.19Å; R159-F161 HydrophobicContact CG-CE2 3.69Å; R159-F161 HydrophobicContact CG-CZ 3.58Å; R159-W177 HydrophobicContact CB-CD2 3.87Å; R159-W177 HydrophobicContact CB-CE3 3.95Å; R159-W177 HydrophobicContact CB-CH2 3.73Å; R159-W177 HydrophobicContact CB-CZ2 3.59Å; R159-W177 HydrophobicContact CB-CZ3 3.88Å; R159-W177 VanDerWaalsContact N-CH2 3.32Å
160C98.7Very high97.1Very high19 Ų1957.1 Ų57.113%0.12829%0.293CS..EExtended strand (participates in β ladder)trans-104.3136.7175.3-1700000110.9I128 I141 L150 W158I128-C160 HydrophobicContact CB-CB 4.11Å; I128-C160 HydrophobicContact CG2-CB 4.42Å; I128-C160 CarbonylContact O-C 3.59Å; I128-C160 VanDerWaalsContact O-CA 3.28Å; I128-C160 WeakPolarHBondContact O-CA 3.49Å; I141-C160 HydrophobicContact CG2-CB 4.33Å; L150-C160 HydrophobicContact CD1-CB 4.23Å; W158-C160 HydrophobicContact CZ3-CB 4.17Å
161F98.7Very high97.1Very high16 Ų1657.3 Ų57.37%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-126.1130.1-179.7-59.1-92.9000110.2I128 L129 A130 R159 W177I128-F161 PolarHBondContact O-N 3.04Å; L129-F161 HydrophobicContact CD2-CB 3.99Å; L129-F161 HydrophobicContact CD2-CD2 4.24Å; L129-F161 HydrophobicContact CD2-CG 4.48Å; A130-F161 PolarHBondContact N-O 2.86Å; R159-F161 HydrophobicContact CB-CE2 3.7Å; R159-F161 HydrophobicContact CB-CZ 3.92Å; R159-F161 VanDerWaalsContact CD-CZ 3.45Å; R159-F161 HydrophobicContact CG-CD2 4.39Å; R159-F161 HydrophobicContact CG-CE1 4.19Å; R159-F161 HydrophobicContact CG-CE2 3.69Å; R159-F161 HydrophobicContact CG-CZ 3.58Å; F161-W177 HydrophobicContact CE1-CB 4.29Å; F161-W177 HydrophobicContact CE2-CB 4.42Å; F161-W177 HydrophobicContact CE2-CD2 4.09Å; F161-W177 AromaticContact CE2-CE3 3.69Å; F161-W177 HydrophobicContact CE2-CE3 3.69Å; F161-W177 HydrophobicContact CE2-CG 4.4Å; F161-W177 HydrophobicContact CE2-CZ3 4.41Å; F161-W177 HydrophobicContact CZ-CB 3.57Å; F161-W177 AromaticContact CZ-CD2 3.8Å; F161-W177 HydrophobicContact CZ-CD2 3.8Å; F161-W177 AromaticContact CZ-CE3 3.87Å; F161-W177 HydrophobicContact CZ-CE3 3.87Å; F161-W177 AromaticContact CZ-CG 3.66Å; F161-W177 HydrophobicContact CZ-CG 3.66Å
162P98.7Very high97.1Very high37 Ų3756.9 Ų56.924%0.2430%0.295CS..EExtended strand (participates in β ladder)trans-71.5128.916733-29.3000107.5Q133 I141 N170Q133-P162 HydrophobicContact CG-CB 3.96Å; I141-P162 HydrophobicContact CD1-CB 3.63Å; I141-P162 HydrophobicContact CD1-CG 3.49Å; I141-P162 VanDerWaalsContact CD1-CG 3.49Å; I141-P162 HydrophobicContact CG1-CB 3.79Å; I141-P162 HydrophobicContact CG1-CG 4.24Å; P162-N170 WeakPolarHBondContact O-CB 3.48Å; P162-N170 PolarHBondContact O-ND2 3.16Å
163C98.8Very high97.2Very high1 Ų155.9 Ų55.91%0.00729%0.292CS..  trans-148.4169.8-178.666.60000113A130 N131 K132 Q133 D169 N170 L171A130-C163 PolarHBondContact O-N 3.33Å; N131-C163 CarbonylContact C-O 3.59Å; N131-C163 WeakPolarHBondContact CA-O 3.48Å; K132-C163 PolarHBondContact N-O 3.23Å; K132-C163 VanDerWaalsContact N-O 3.12Å; Q133-C163 WeakPolarHBondContact CB-O 3.22Å; Q133-C163 WeakPolarHBondContact CG-O 3.41Å; Q133-C163 PolarHBondContact N-O 2.85Å; Q133-C163 VanDerWaalsContact N-O 3.07Å; C163-D169 VanDerWaalsContact CA-O 3.24Å; C163-D169 WeakPolarHBondContact CA-O 3.25Å; C163-D169 VanDerWaalsContact CB-O 3.27Å; C163-D169 WeakPolarHBondContact CB-O 3.45Å; C163-N170 HydrophobicContact CB-CB 4.26Å; C163-L171 HydrophobicContact CB-CD2 3.79Å
164S98.8Very high97.3Very high1 Ų155.4 Ų55.41%0.00729%0.289CS..  trans-134.5118167.9175.80000110.4N131 D134 L166 T167 G168 D169N131-S164 WeakPolarHBondContact OD1-CA 3.4Å; D134-S164 WeakPolarHBondContact OD1-CB 3.47Å; D134-S164 PolarHBondContact OD1-OG 3.49Å; S164-L166 PolarHBondContact O-N 2.55Å; S164-L166 WeakPolarHBondContact OG-CB 3.24Å; S164-L166 PolarHBondContact OG-N 3.14Å; S164-T167 VanDerWaalsContact CB-OG1 3.25Å; S164-T167 WeakPolarHBondContact CB-OG1 3.31Å; S164-T167 PolarHBondContact OG-N 3.07Å; S164-T167 PolarHBondContact OG-OG1 3.12Å; S164-G168 CarbonylContact O-C 3.41Å; S164-G168 VanDerWaalsContact O-CA 3.28Å; S164-G168 WeakPolarHBondContact O-CA 3.09Å; S164-G168 PolarHBondContact O-N 3.16Å; S164-D169 PolarHBondContact N-O 2.69Å; S164-D169 VanDerWaalsContact N-O 3.14Å
165G98.4Very high97.6Very high0 Ų047.3 Ų47.30%026%0.259CS..THydrogen-bonded Turntrans-59.5-28164.500000112.3R41 N131R41-G165 WeakPolarHBondContact CB-O 3.34Å; R41-G165 PolarHBondContact NE-O 2.78Å; N131-G165 PolarHBondContact OD1-N 3Å
166L97.8Very high98Very high90 Ų9045 Ų4547%0.47123%0.23SC..THydrogen-bonded Turntrans-76.6-47.9-179.8-175.963.6000111.9R41 V47 D134 S164R41-L166 PolarHBondContact NE-O 2.78Å; R41-L166 PolarHBondContact NH2-O 2.88Å; V47-L166 HydrophobicContact CG2-CD1 4.09Å; D134-L166 WeakPolarHBondContact OD2-CD2 2.98Å; S164-L166 PolarHBondContact O-N 2.55Å; S164-L166 WeakPolarHBondContact OG-CB 3.24Å; S164-L166 PolarHBondContact OG-N 3.14Å
167T97.6Very high98.2Very high67 Ų6746.6 Ų46.641%0.41124%0.235SC..THydrogen-bonded Turntrans-90-26.6-177.664.80000112.6D134 S164 D169D134-T167 HydrophobicContact CB-CG2 3.98Å; S164-T167 VanDerWaalsContact CB-OG1 3.25Å; S164-T167 WeakPolarHBondContact CB-OG1 3.31Å; S164-T167 PolarHBondContact OG-N 3.07Å; S164-T167 PolarHBondContact OG-OG1 3.12Å; T167-D169 WeakPolarHBondContact OG1-CB 3.31Å; T167-D169 PolarHBondContact OG1-N 2.65Å; T167-D169 PolarHBondContact OG1-OD2 2.84Å
168G98Very high98.3Very high21 Ų2141.6 Ų41.622%0.21621%0.212CC..  trans95.1-4.4-170.500000113.8S164 N170 L171S164-G168 CarbonylContact O-C 3.41Å; S164-G168 VanDerWaalsContact O-CA 3.28Å; S164-G168 WeakPolarHBondContact O-CA 3.09Å; S164-G168 PolarHBondContact O-N 3.16Å; G168-N170 PolarHBondContact O-N 2.64Å; G168-L171 PolarHBondContact O-N 2.87Å
169D98.4Very high98.3Very high95 Ų9538.2 Ų38.251%0.50820%0.199SC..THydrogen-bonded Turntrans-57.1131-176-66.1-28.7000111.5C163 S164 T167 L171C163-D169 VanDerWaalsContact CA-O 3.24Å; C163-D169 WeakPolarHBondContact CA-O 3.25Å; C163-D169 VanDerWaalsContact CB-O 3.27Å; C163-D169 WeakPolarHBondContact CB-O 3.45Å; S164-D169 PolarHBondContact N-O 2.69Å; S164-D169 VanDerWaalsContact N-O 3.14Å; T167-D169 WeakPolarHBondContact OG1-CB 3.31Å; T167-D169 PolarHBondContact OG1-N 2.65Å; T167-D169 PolarHBondContact OG1-OD2 2.84Å; D169-L171 PolarHBondContact O-N 3.18Å
170N98.4Very high98.2Very high61 Ų6135.7 Ų35.733%0.32620%0.196SC..THydrogen-bonded Turntrans59.75.9178.4-62-47.2000116.5P162 C163 G168 E173 G174P162-N170 WeakPolarHBondContact O-CB 3.48Å; P162-N170 PolarHBondContact O-ND2 3.16Å; C163-N170 HydrophobicContact CB-CB 4.26Å; G168-N170 PolarHBondContact O-N 2.64Å; N170-E173 VanDerWaalsContact C-OE2 3.27Å; N170-E173 WeakPolarHBondContact CA-OE2 3.27Å; N170-G174 PolarHBondContact O-N 2.83Å
171L98.3Very high98.1Very high4 Ų435.9 Ų35.92%0.02120%0.196CC..Hα-helixtrans-67.5-44.1178-65-176000111.1I38 R41 L42 L129 C163 G168 D169 E173 G174 I175I38-L171 HydrophobicContact CG1-CD2 4.06Å; I38-L171 HydrophobicContact CG2-CD1 4.32Å; I38-L171 HydrophobicContact CG2-CD2 3.92Å; R41-L171 HydrophobicContact CB-CD1 4.03Å; R41-L171 HydrophobicContact CG-CD1 3.63Å; L42-L171 HydrophobicContact CD2-CB 4.04Å; L129-L171 HydrophobicContact CD1-CD2 4.32Å; C163-L171 HydrophobicContact CB-CD2 3.79Å; G168-L171 PolarHBondContact O-N 2.87Å; D169-L171 PolarHBondContact O-N 3.18Å; L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 3.44Å; L171-G174 PolarHBondContact O-N 2.77Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.45Å
172V97.3Very high97.9Very high70 Ų7035.1 Ų35.142%0.42419%0.192SC..Hα-helixtrans-62.6-41.5179.8174.80000110.2Y63 I175 D176Y63-V172 WeakPolarHBondContact OH-CG1 3.41Å; V172-I175 PolarHBondContact O-N 2.88Å; V172-D176 WeakPolarHBondContact O-CB 3.42Å; V172-D176 PolarHBondContact O-N 3.37Å
173E98.2Very high97.7Very high97 Ų9733.8 Ų33.845%0.45319%0.185SC..Hα-helixtrans-63.6-43.3178.4-67.382.4166.500111.7N170 L171 W177N170-E173 VanDerWaalsContact C-OE2 3.27Å; N170-E173 WeakPolarHBondContact CA-OE2 3.27Å; L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 3.44Å; E173-W177 PolarHBondContact O-N 3.23Å; E173-W177 VanDerWaalsContact O-N 3.09Å
174G98.6Very high97.3Very high1 Ų136.9 Ų36.91%0.0121%0.206CC..Hα-helixtrans-64.4-45.217500000112.5N170 L171 L178N170-G174 PolarHBondContact O-N 2.83Å; L171-G174 PolarHBondContact O-N 2.77Å; G174-L178 WeakPolarHBondContact O-CB 3.41Å; G174-L178 PolarHBondContact O-N 3.44Å; G174-L178 VanDerWaalsContact O-N 3.1Å
175I98.4Very high96.7Very high6 Ų640.7 Ų40.73%0.03122%0.221CC..Hα-helixtrans-67-40.3177.3-64.1-58000111.3L42 Y63 L68 I94 L171 V172 W177 L178 V179L42-I175 HydrophobicContact CD1-CD1 3.94Å; L42-I175 HydrophobicContact CD1-CG1 3.87Å; L42-I175 HydrophobicContact CD2-CG1 3.97Å; Y63-I175 HydrophobicContact CD1-CG2 4.15Å; Y63-I175 HydrophobicContact CE1-CG2 3.87Å; L68-I175 HydrophobicContact CD1-CG2 4.29Å; I94-I175 HydrophobicContact CD1-CD1 3.43Å; I94-I175 VanDerWaalsContact CD1-CD1 3.43Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.45Å; V172-I175 PolarHBondContact O-N 2.88Å; I175-W177 PolarHBondContact O-N 2.65Å; I175-L178 PolarHBondContact O-N 2.64Å; I175-V179 HydrophobicContact CG2-CG2 4.01Å; I175-V179 WeakPolarHBondContact O-CB 3.38Å; I175-V179 VanDerWaalsContact O-CG2 3.26Å; I175-V179 WeakPolarHBondContact O-CG2 3.23Å; I175-V179 PolarHBondContact O-N 3.21Å
176D98.1Very high95.9Very high25 Ų2542.9 Ų42.913%0.13423%0.234CC..Hα-helixtrans-58.7-49.3177.1-85.2-11.3000112Y63 R64 V172 L178 N180Y63-D176 VanDerWaalsContact CE1-OD1 3.27Å; Y63-D176 WeakPolarHBondContact CE1-OD1 3.24Å; Y63-D176 VanDerWaalsContact CZ-OD1 3.28Å; Y63-D176 PolarHBondContact OH-OD1 3.34Å; R64-D176 IonicContact CZ-OD1 3.77Å; R64-D176 IonicContact CZ-OD2 2.99Å; R64-D176 IonicContact NE-OD1 3.12Å; R64-D176 PolarHBondContact NE-OD1 3.42Å; R64-D176 IonicContact NH1-OD1 2.64Å; R64-D176 PolarHBondContact NH1-OD1 3.11Å; R64-D176 IonicContact NH1-OD2 3.2Å; R64-D176 PolarHBondContact NH1-OD2 3.19Å; R64-D176 VanDerWaalsContact NH1-OD2 3.12Å; R64-D176 IonicContact NH2-OD1 2.74Å; R64-D176 PolarHBondContact NH2-OD1 3.08Å; R64-D176 VanDerWaalsContact NH2-OD1 3.16Å; R64-D176 IonicContact NH2-OD2 2.83Å; R64-D176 PolarHBondContact NH2-OD2 3.22Å; V172-D176 WeakPolarHBondContact O-CB 3.42Å; V172-D176 PolarHBondContact O-N 3.37Å; D176-L178 VanDerWaalsContact C-N 3.34Å; D176-N180 VanDerWaalsContact O-CB 3.24Å; D176-N180 WeakPolarHBondContact O-CB 3.16Å; D176-N180 PolarHBondContact O-N 2.89Å; D176-N180 PolarHBondContact O-ND2 3.12Å; D176-N180 VanDerWaalsContact O-ND2 3.15Å
177W98.6Very high94.8Very high55 Ų5540.4 Ų40.421%0.20822%0.219CC..Hα-helixtrans-62.2-44.9178.2174.880.5000111.1T125 A127 R159 F161 E173 I175 N180 D181T125-W177 HydrophobicContact CG2-CH2 3.51Å; T125-W177 HydrophobicContact CG2-CZ2 4.38Å; T125-W177 HydrophobicContact CG2-CZ3 3.67Å; A127-W177 HydrophobicContact CB-CE3 4.36Å; A127-W177 HydrophobicContact CB-CZ3 4.11Å; R159-W177 HydrophobicContact CB-CD2 3.87Å; R159-W177 HydrophobicContact CB-CE3 3.95Å; R159-W177 HydrophobicContact CB-CH2 3.73Å; R159-W177 HydrophobicContact CB-CZ2 3.59Å; R159-W177 HydrophobicContact CB-CZ3 3.88Å; R159-W177 VanDerWaalsContact N-CH2 3.32Å; F161-W177 HydrophobicContact CE1-CB 4.29Å; F161-W177 HydrophobicContact CE2-CB 4.42Å; F161-W177 HydrophobicContact CE2-CD2 4.09Å; F161-W177 AromaticContact CE2-CE3 3.69Å; F161-W177 HydrophobicContact CE2-CE3 3.69Å; F161-W177 HydrophobicContact CE2-CG 4.4Å; F161-W177 HydrophobicContact CE2-CZ3 4.41Å; F161-W177 HydrophobicContact CZ-CB 3.57Å; F161-W177 AromaticContact CZ-CD2 3.8Å; F161-W177 HydrophobicContact CZ-CD2 3.8Å; F161-W177 AromaticContact CZ-CE3 3.87Å; F161-W177 HydrophobicContact CZ-CE3 3.87Å; F161-W177 AromaticContact CZ-CG 3.66Å; F161-W177 HydrophobicContact CZ-CG 3.66Å; E173-W177 PolarHBondContact O-N 3.23Å; E173-W177 VanDerWaalsContact O-N 3.09Å; I175-W177 PolarHBondContact O-N 2.65Å; W177-N180 PolarHBondContact O-N 3.39Å; W177-D181 WeakPolarHBondContact O-CB 3.41Å; W177-D181 PolarHBondContact O-N 3.45Å
178L98.6Very high93.2Very high0 Ų041.6 Ų41.60%023%0.226CC..Hα-helixtrans-59.8-51.6178.6-179.566.5000111.7I25 I94 T125 A127 G174 I175 D176 N180 D181 I182I25-L178 HydrophobicContact CD1-CD2 4.12Å; I25-L178 HydrophobicContact CG2-CD2 4.08Å; I94-L178 HydrophobicContact CD1-CD2 3.84Å; I94-L178 HydrophobicContact CG1-CD2 3.58Å; T125-L178 HydrophobicContact CG2-CD1 3.58Å; A127-L178 HydrophobicContact CB-CB 4.3Å; A127-L178 HydrophobicContact CB-CD1 4.12Å; A127-L178 HydrophobicContact CB-CD2 4.33Å; A127-L178 HydrophobicContact CB-CG 4.49Å; G174-L178 WeakPolarHBondContact O-CB 3.41Å; G174-L178 PolarHBondContact O-N 3.44Å; G174-L178 VanDerWaalsContact O-N 3.1Å; I175-L178 PolarHBondContact O-N 2.64Å; D176-L178 VanDerWaalsContact C-N 3.34Å; L178-N180 PolarHBondContact O-N 3.39Å; L178-D181 PolarHBondContact O-N 3.21Å; L178-I182 HydrophobicContact CD1-CD1 4Å; L178-I182 HydrophobicContact CD1-CG1 4.46Å; L178-I182 HydrophobicContact CG-CD1 3.88Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.1Å
179V97.7Very high91Very high0 Ų048.6 Ų48.60%026%0.258CS..Hα-helixtrans-62.8-43.2-179.1168.90000111M23 Y63 Y66 L68 I175 A183M23-V179 HydrophobicContact CE-CG1 3.87Å; M23-V179 VanDerWaalsContact CE-O 3.32Å; M23-V179 WeakPolarHBondContact CE-O 3.5Å; M23-V179 HydrophobicContact SD-CB 4.32Å; M23-V179 HydrophobicContact SD-CG1 3.99Å; M23-V179 HydrophobicContact SD-CG2 4.21Å; Y63-V179 HydrophobicContact CD1-CG1 4.49Å; Y63-V179 HydrophobicContact CD1-CG2 4.16Å; Y66-V179 HydrophobicContact CD2-CG1 3.59Å; Y66-V179 HydrophobicContact CE2-CG1 3.99Å; Y66-V179 HydrophobicContact CG-CG1 4.32Å; L68-V179 HydrophobicContact CD1-CG2 3.84Å; L68-V179 HydrophobicContact CD2-CG2 3.93Å; I175-V179 HydrophobicContact CG2-CG2 4.01Å; I175-V179 WeakPolarHBondContact O-CB 3.38Å; I175-V179 VanDerWaalsContact O-CG2 3.26Å; I175-V179 WeakPolarHBondContact O-CG2 3.23Å; I175-V179 PolarHBondContact O-N 3.21Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.21Å; V179-A183 PolarHBondContact O-N 2.73Å
180N96.1Very high88.5Confident83 Ų8356.9 Ų56.944%0.44429%0.294SS..Hα-helixtrans-65.8-42179-72-22.6000112.1D176 W177 L178 A183 S184D176-N180 VanDerWaalsContact O-CB 3.24Å; D176-N180 WeakPolarHBondContact O-CB 3.16Å; D176-N180 PolarHBondContact O-N 2.89Å; D176-N180 PolarHBondContact O-ND2 3.12Å; D176-N180 VanDerWaalsContact O-ND2 3.15Å; W177-N180 PolarHBondContact O-N 3.39Å; L178-N180 PolarHBondContact O-N 3.39Å; N180-A183 PolarHBondContact O-N 3.1Å; N180-S184 WeakPolarHBondContact O-CB 3.23Å; N180-S184 PolarHBondContact O-N 3.36Å; N180-S184 PolarHBondContact O-OG 3.13Å
181D96.9Very high88Confident23 Ų2356.7 Ų56.712%0.12329%0.292CS..Hα-helixtrans-64.5-48.1177.5-176.686.9000110.7T125 H157 W177 L178 A183 S184 R185T125-D181 WeakPolarHBondContact CB-OD2 3.2Å; T125-D181 HydrophobicContact CG2-CB 3.91Å; T125-D181 WeakPolarHBondContact CG2-OD2 3.44Å; T125-D181 PolarHBondContact OG1-OD2 3Å; H157-D181 IonicContact CE1-OD1 3.37Å; H157-D181 IonicContact CG-OD1 3.97Å; H157-D181 IonicContact CG-OD2 3.82Å; H157-D181 IonicContact ND1-OD1 2.79Å; H157-D181 PolarHBondContact ND1-OD1 3.15Å; H157-D181 IonicContact ND1-OD2 3.04Å; W177-D181 WeakPolarHBondContact O-CB 3.41Å; W177-D181 PolarHBondContact O-N 3.45Å; L178-D181 PolarHBondContact O-N 3.21Å; D181-A183 VanDerWaalsContact C-N 3.32Å; D181-A183 PolarHBondContact O-N 3.24Å; D181-S184 PolarHBondContact O-N 2.87Å; D181-S184 PolarHBondContact O-OG 3.42Å; D181-R185 WeakPolarHBondContact O-CG 3.34Å; D181-R185 PolarHBondContact O-N 3.11Å; D181-R185 IonicContact OD2-NE 3.89Å; D181-R185 PolarHBondContact OD2-NE 3.44Å; D181-R185 VanDerWaalsContact OD2-NE 3.12Å
182I95.5Very high87.5Confident0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-56.2-48.1174.6-65.4166.5000110.5M23 D91 L178 S184 R185 V186M23-I182 HydrophobicContact CE-CB 4.04Å; M23-I182 HydrophobicContact CE-CG2 3.84Å; M23-I182 HydrophobicContact CG-CG2 3.96Å; M23-I182 HydrophobicContact SD-CB 4.05Å; M23-I182 HydrophobicContact SD-CD1 4.25Å; M23-I182 HydrophobicContact SD-CG2 3.82Å; D91-I182 HydrophobicContact CB-CD1 4.27Å; D91-I182 HydrophobicContact CB-CG2 3.76Å; L178-I182 HydrophobicContact CD1-CD1 4Å; L178-I182 HydrophobicContact CD1-CG1 4.46Å; L178-I182 HydrophobicContact CG-CD1 3.88Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.1Å; I182-S184 VanDerWaalsContact C-N 3.3Å; I182-S184 PolarHBondContact O-N 2.87Å; I182-R185 PolarHBondContact O-N 3.15Å; I182-R185 VanDerWaalsContact O-N 3.09Å; I182-V186 HydrophobicContact CG2-CB 4.46Å; I182-V186 HydrophobicContact CG2-CG2 3.94Å; I182-V186 WeakPolarHBondContact O-CB 3.3Å; I182-V186 WeakPolarHBondContact O-CG2 3.38Å; I182-V186 PolarHBondContact O-N 3.14Å
183A92.9Very high86.9Confident10 Ų1058.9 Ų58.98%0.08330%0.3CS..Hα-helixtrans-60.9-39.8-178.100000112.9M23 Y66 V179 N180 D181 R185 F187M23-A183 HydrophobicContact CE-CB 3.76Å; Y66-A183 HydrophobicContact CE1-CB 4.11Å; Y66-A183 HydrophobicContact CE2-CB 4.22Å; Y66-A183 VanDerWaalsContact OH-CB 3.26Å; Y66-A183 WeakPolarHBondContact OH-CB 3.43Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.21Å; V179-A183 PolarHBondContact O-N 2.73Å; N180-A183 PolarHBondContact O-N 3.1Å; D181-A183 VanDerWaalsContact C-N 3.32Å; D181-A183 PolarHBondContact O-N 3.24Å; A183-R185 PolarHBondContact O-N 3.39Å; A183-F187 HydrophobicContact CB-CD2 4.16Å; A183-F187 PolarHBondContact O-N 2.88Å
184S90.8Very high86.2Confident66 Ų6656.6 Ų56.646%0.46229%0.291SS..Hα-helixtrans-68-19.6178.672.10000113.9N180 D181 I182 T188N180-S184 WeakPolarHBondContact O-CB 3.23Å; N180-S184 PolarHBondContact O-N 3.36Å; N180-S184 PolarHBondContact O-OG 3.13Å; D181-S184 PolarHBondContact O-N 2.87Å; D181-S184 PolarHBondContact O-OG 3.42Å; I182-S184 VanDerWaalsContact C-N 3.3Å; I182-S184 PolarHBondContact O-N 2.87Å; S184-T188 WeakPolarHBondContact O-CG2 3.18Å; S184-T188 PolarHBondContact O-OG1 3.1Å
185R86.5Confident85.5Confident81 Ų8160.1 Ų60.131%0.30631%0.308SS..Hα-helixtrans-98.6-33.6178.7-62.4-177.5-52.399-1.6113.3D91 S123 T125 D181 I182 A183D91-R185 PolarHBondContact O-NH2 2.53Å; S123-R185 VanDerWaalsContact O-CZ 3.28Å; S123-R185 PolarHBondContact O-NH1 2.96Å; S123-R185 PolarHBondContact O-NH2 3.29Å; S123-R185 VanDerWaalsContact O-NH2 3.12Å; T125-R185 PolarHBondContact OG1-NE 2.94Å; T125-R185 PolarHBondContact OG1-NH2 2.94Å; D181-R185 WeakPolarHBondContact O-CG 3.34Å; D181-R185 PolarHBondContact O-N 3.11Å; D181-R185 IonicContact OD2-NE 3.89Å; D181-R185 PolarHBondContact OD2-NE 3.44Å; D181-R185 VanDerWaalsContact OD2-NE 3.12Å; I182-R185 PolarHBondContact O-N 3.15Å; I182-R185 VanDerWaalsContact O-N 3.09Å; A183-R185 PolarHBondContact O-N 3.39Å
186V80.7Confident84.6Confident45 Ų4563.7 Ų63.727%0.27333%0.327SS..Hα-helixtrans-102.3-32.6-170.2-178.60000112.8I182I182-V186 HydrophobicContact CG2-CB 4.46Å; I182-V186 HydrophobicContact CG2-CG2 3.94Å; I182-V186 WeakPolarHBondContact O-CB 3.3Å; I182-V186 WeakPolarHBondContact O-CG2 3.38Å; I182-V186 PolarHBondContact O-N 3.14Å
187F75.2Confident83.6Confident39 Ų3966.5 Ų66.517%0.17134%0.341CS..SBendtrans-117.28.7-172.9-53.7-61.4000113.9E18 M23 Y66 A183 L189E18-F187 HydrophobicContact CG-CD1 4.42Å; M23-F187 HydrophobicContact CE-CD2 4.11Å; M23-F187 HydrophobicContact CE-CE2 3.61Å; M23-F187 HydrophobicContact CG-CE2 3.99Å; M23-F187 HydrophobicContact CG-CZ 4.38Å; Y66-F187 HydrophobicContact CD1-CD2 4.07Å; Y66-F187 AromaticContact CD1-CE2 3.79Å; Y66-F187 HydrophobicContact CD1-CE2 3.79Å; Y66-F187 AromaticContact CE1-CD2 3.47Å; Y66-F187 HydrophobicContact CE1-CD2 3.47Å; Y66-F187 VanDerWaalsContact CE1-CD2 3.47Å; Y66-F187 AromaticContact CE1-CE2 3.7Å; Y66-F187 HydrophobicContact CE1-CE2 3.7Å; Y66-F187 HydrophobicContact CE1-CG 4.36Å; A183-F187 HydrophobicContact CB-CD2 4.16Å; A183-F187 PolarHBondContact O-N 2.88Å; F187-L189 PolarHBondContact O-N 2.96Å
188T63.5Low82.5Confident91 Ų9167.4 Ų67.456%0.55835%0.351SS*.  trans-68.3115.4169.7300000108.9S184 E190S184-T188 WeakPolarHBondContact O-CG2 3.18Å; S184-T188 PolarHBondContact O-OG1 3.1Å; T188-E190 PolarHBondContact O-N 3.23Å
189L53Low81.1Confident169 Ų16973 Ų7389%0.88538%0.38SS*.  trans-62.6121.2165.7-62.7163.1000106.8F187F187-L189 PolarHBondContact O-N 2.96Å
190E45.1Very low79.6Confident269 Ų26979.6 Ų79.6100%1.25742%0.415SS*.  trans-59.90154.3-73.2-175.916700110.3T188T188-E190 PolarHBondContact O-N 3.23Å

Retrieved 190 of 190 residues in 464.3 ms (Link to these results)

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