A0A2K5MGK3_CERAT Loading...

Myc box-dependent-interacting protein 1

AlphaFold DB , UniProt , Accession A0A2K5MGK3, Species CERAT (Cercocebus atys, Sooty mangabey), Gene BIN1, Length 608 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
1M45.7Very low43.1Very low252 Ų252125.3 Ų125.3100%1.24175%0.745SS**  0147.70-70.2173.1172.600108.5
2A34.8Very low43.8Very low103 Ų103118.6 Ų118.685%0.85172%0.722SS**  trans-159.1133156.600000106.5
3E39.1Very low44.7Very low188 Ų188119.8 Ų119.888%0.87971%0.712SS**  trans-75.7142.5-178.5-73176.872.500112.3
4M41.3Very low46Very low197 Ų197118.6 Ų118.697%0.9770%0.698SS**  trans-102.4113.2153.1-84.2-178.5156.700108.1
5G36Very low47.3Very low59 Ų59114.9 Ų114.961%0.60869%0.686SS**  trans-67.8140.8-161.300000115.8K7G5-K7 PolarHBondContact O-N 3.48Å
6S41.6Very low48.6Very low95 Ų95110.8 Ų110.866%0.66467%0.665SS**THydrogen-bonded Turntrans-59.6-8.5-174.8-163.60000116.5G8 V9S6-G8 VanDerWaalsContact C-N 3.25Å; S6-G8 PolarHBondContact O-N 3.01Å; S6-G8 VanDerWaalsContact O-N 3.09Å; S6-V9 PolarHBondContact O-N 3.25Å; S6-V9 VanDerWaalsContact O-N 3.14Å
7K41.3Very low49.9Very low199 Ų199109.9 Ų109.987%0.86566%0.656SS**THydrogen-bonded Turntrans-61.9-22-170.3-68.3-174.7176.8-179.90115.1G5G5-K7 PolarHBondContact O-N 3.48Å
8G41.7Very low51.3Low56 Ų56108.8 Ų108.858%0.57765%0.65SS**Hα-helixtrans-76.6-23.1177.200000115.2S6 T10 G12S6-G8 VanDerWaalsContact C-N 3.25Å; S6-G8 PolarHBondContact O-N 3.01Å; S6-G8 VanDerWaalsContact O-N 3.09Å; G8-T10 PolarHBondContact O-N 2.66Å; G8-G12 PolarHBondContact O-N 2.96Å
9V47.9Very low52.6Low72 Ų72109.4 Ų109.444%0.43665%0.645SS.*Hα-helixtrans-70.5-35.2-167.7179.30000112.4S6 K13S6-V9 PolarHBondContact O-N 3.25Å; S6-V9 VanDerWaalsContact O-N 3.14Å; V9-K13 HydrophobicContact CG1-CD 4.01Å; V9-K13 WeakPolarHBondContact O-CB 3.33Å; V9-K13 VanDerWaalsContact O-CG 3.31Å; V9-K13 WeakPolarHBondContact O-CG 3.44Å; V9-K13 PolarHBondContact O-N 3.04Å; V9-K13 VanDerWaalsContact O-N 3.14Å
10T52.3Low53.9Low90 Ų90108.2 Ų108.255%0.55263%0.631SS**Hα-helixtrans-71.2-48.6-176.5-42.50000111.7G8 G12 K13 I14G8-T10 PolarHBondContact O-N 2.66Å; T10-G12 PolarHBondContact O-N 2.88Å; T10-K13 PolarHBondContact O-N 3.35Å; T10-I14 HydrophobicContact CG2-CD1 4.12Å; T10-I14 WeakPolarHBondContact O-CG1 3.24Å; T10-I14 PolarHBondContact O-N 3.45Å
11A52.4Low54.9Low67 Ų67110.2 Ų110.255%0.55463%0.633SS**Hα-helixtrans-62.1-43.5179.300000111.8K13 I14 A15A11-K13 PolarHBondContact O-N 2.98Å; A11-I14 PolarHBondContact O-N 3.34Å; A11-A15 WeakPolarHBondContact O-CB 3.49Å; A11-A15 PolarHBondContact O-N 2.73Å
12G51.9Low56.5Low45 Ų45103.1 Ų103.146%0.46460%0.599SS.*Hα-helixtrans-62-38.4175.500000113.5G8 T10 S16G8-G12 PolarHBondContact O-N 2.96Å; T10-G12 PolarHBondContact O-N 2.88Å; G12-S16 VanDerWaalsContact O-CB 3.28Å; G12-S16 WeakPolarHBondContact O-CB 3.31Å; G12-S16 PolarHBondContact O-N 2.82Å
13K55.6Low58.6Low135 Ų135100.6 Ų100.659%0.58757%0.573SS**Hα-helixtrans-66.9-41.1173.9-77.6174.3179.5175.60112.4V9 T10 A11 S16 N17V9-K13 HydrophobicContact CG1-CD 4.01Å; V9-K13 WeakPolarHBondContact O-CB 3.33Å; V9-K13 VanDerWaalsContact O-CG 3.31Å; V9-K13 WeakPolarHBondContact O-CG 3.44Å; V9-K13 PolarHBondContact O-N 3.04Å; V9-K13 VanDerWaalsContact O-N 3.14Å; T10-K13 PolarHBondContact O-N 3.35Å; A11-K13 PolarHBondContact O-N 2.98Å; K13-S16 PolarHBondContact O-N 2.83Å; K13-N17 WeakPolarHBondContact O-CB 3.03Å; K13-N17 PolarHBondContact O-N 3.16Å; K13-N17 PolarHBondContact O-ND2 2.8Å
14I62.9Low60.7Low103 Ų10394.2 Ų94.253%0.52854%0.541SS..Hα-helixtrans-63.1-50.6176.3-67.3164.5000110T10 A11 S16 N17 V18T10-I14 HydrophobicContact CG2-CD1 4.12Å; T10-I14 WeakPolarHBondContact O-CG1 3.24Å; T10-I14 PolarHBondContact O-N 3.45Å; A11-I14 PolarHBondContact O-N 3.34Å; I14-S16 PolarHBondContact O-N 3.42Å; I14-N17 PolarHBondContact O-N 3.14Å; I14-N17 VanDerWaalsContact O-N 3.12Å; I14-V18 HydrophobicContact CG2-CG2 4.49Å; I14-V18 WeakPolarHBondContact O-CG2 3.22Å; I14-V18 PolarHBondContact O-N 3.08Å
15A65.1Low62.2Low62 Ų6287.5 Ų87.551%0.51252%0.517SS..Hα-helixtrans-58.5-44.3176.900000112.4A11 N17 V18 Q19A11-A15 WeakPolarHBondContact O-CB 3.49Å; A11-A15 PolarHBondContact O-N 2.73Å; A15-N17 VanDerWaalsContact C-N 3.31Å; A15-N17 PolarHBondContact O-N 2.88Å; A15-V18 PolarHBondContact O-N 2.88Å; A15-Q19 WeakPolarHBondContact O-CB 3.1Å; A15-Q19 PolarHBondContact O-N 3.16Å
16S68.5Low64.3Low49 Ų4990.1 Ų90.134%0.34351%0.513SS..Hα-helixtrans-62.3-36.1175.8-169.70000112.9G12 K13 I14 K20G12-S16 VanDerWaalsContact O-CB 3.28Å; G12-S16 WeakPolarHBondContact O-CB 3.31Å; G12-S16 PolarHBondContact O-N 2.82Å; K13-S16 PolarHBondContact O-N 2.83Å; I14-S16 PolarHBondContact O-N 3.42Å; S16-K20 WeakPolarHBondContact O-CD 3.3Å; S16-K20 VanDerWaalsContact O-CG 3.31Å; S16-K20 WeakPolarHBondContact O-CG 3.38Å; S16-K20 PolarHBondContact O-N 3.1Å; S16-K20 PolarHBondContact OG-NZ 3.12Å
17N69.8Low66.1Low96 Ų9685.8 Ų85.851%0.51348%0.482SS..Hα-helixtrans-75.3-35.3177.7-73.1-16.4000112.4K13 I14 A15 K21K13-N17 WeakPolarHBondContact O-CB 3.03Å; K13-N17 PolarHBondContact O-N 3.16Å; K13-N17 PolarHBondContact O-ND2 2.8Å; I14-N17 PolarHBondContact O-N 3.14Å; I14-N17 VanDerWaalsContact O-N 3.12Å; A15-N17 VanDerWaalsContact C-N 3.31Å; A15-N17 PolarHBondContact O-N 2.88Å; N17-K21 WeakPolarHBondContact O-CG 3.36Å; N17-K21 PolarHBondContact O-N 3.29Å
18V76Confident67.9Low91 Ų9182.3 Ų82.355%0.55247%0.468SS*.Hα-helixtrans-64.8-46.5171.1171.80000110.3I14 A15 K20 K21 L22I14-V18 HydrophobicContact CG2-CG2 4.49Å; I14-V18 WeakPolarHBondContact O-CG2 3.22Å; I14-V18 PolarHBondContact O-N 3.08Å; A15-V18 PolarHBondContact O-N 2.88Å; V18-K20 VanDerWaalsContact C-N 3.34Å; V18-K20 PolarHBondContact O-N 2.8Å; V18-K21 WeakPolarHBondContact O-CB 3.21Å; V18-K21 PolarHBondContact O-N 2.83Å; V18-K21 VanDerWaalsContact O-N 3.1Å; V18-L22 PolarHBondContact O-N 2.88Å
19Q76Confident69.5Low120 Ų12083.7 Ų83.756%0.56146%0.464SS*.Hα-helixtrans-56.5-47175.9-171.468.24.100111.4A15 K21 L22 T23A15-Q19 WeakPolarHBondContact O-CB 3.1Å; A15-Q19 PolarHBondContact O-N 3.16Å; Q19-K21 VanDerWaalsContact C-N 3.35Å; Q19-K21 PolarHBondContact O-N 3.3Å; Q19-L22 WeakPolarHBondContact O-CA 3.35Å; Q19-L22 WeakPolarHBondContact O-CB 3.28Å; Q19-L22 PolarHBondContact O-N 3.05Å; Q19-L22 VanDerWaalsContact O-N 3.08Å; Q19-T23 PolarHBondContact O-N 3.12Å; Q19-T23 PolarHBondContact O-OG1 2.82Å
20K78.6Confident70.6Confident85 Ų8581.9 Ų81.937%0.3745%0.452SS..Hα-helixtrans-64.6-32.8176.5-73.5163-177.5142.90113.7S16 V18 L22 R24S16-K20 WeakPolarHBondContact O-CD 3.3Å; S16-K20 VanDerWaalsContact O-CG 3.31Å; S16-K20 WeakPolarHBondContact O-CG 3.38Å; S16-K20 PolarHBondContact O-N 3.1Å; S16-K20 PolarHBondContact OG-NZ 3.12Å; V18-K20 VanDerWaalsContact C-N 3.34Å; V18-K20 PolarHBondContact O-N 2.8Å; K20-L22 VanDerWaalsContact C-N 3.33Å; K20-R24 VanDerWaalsContact O-CG 3.25Å; K20-R24 WeakPolarHBondContact O-CG 3.45Å; K20-R24 PolarHBondContact O-N 3.28Å; K20-R24 VanDerWaalsContact O-N 3.15Å
21K75.6Confident71.9Confident151 Ų15178.6 Ų78.666%0.65743%0.431SS*.Hα-helixtrans-63.8-41.8170.5-77.5-177.4175.6-170.50110.7N17 V18 Q19 R24 A25N17-K21 WeakPolarHBondContact O-CG 3.36Å; N17-K21 PolarHBondContact O-N 3.29Å; V18-K21 WeakPolarHBondContact O-CB 3.21Å; V18-K21 PolarHBondContact O-N 2.83Å; V18-K21 VanDerWaalsContact O-N 3.1Å; Q19-K21 VanDerWaalsContact C-N 3.35Å; Q19-K21 PolarHBondContact O-N 3.3Å; K21-R24 PolarHBondContact O-N 2.83Å; K21-A25 PolarHBondContact O-N 2.69Å
22L78.1Confident72.9Confident103 Ų10385 Ų8554%0.53945%0.446SS..Hα-helixtrans-65.4-47.1178.3-172.964.9000112.1V18 Q19 K20 R24 A25 Q26V18-L22 PolarHBondContact O-N 2.88Å; Q19-L22 WeakPolarHBondContact O-CA 3.35Å; Q19-L22 WeakPolarHBondContact O-CB 3.28Å; Q19-L22 PolarHBondContact O-N 3.05Å; Q19-L22 VanDerWaalsContact O-N 3.08Å; K20-L22 VanDerWaalsContact C-N 3.33Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.88Å; L22-A25 PolarHBondContact O-N 2.9Å; L22-Q26 WeakPolarHBondContact O-CB 3.48Å; L22-Q26 PolarHBondContact O-N 2.99Å
23T79.2Confident73.8Confident50 Ų5087.7 Ų87.731%0.30745%0.449SS..Hα-helixtrans-61.3-40.6176.5-0.10000112Q19 A25 Q26 E27Q19-T23 PolarHBondContact O-N 3.12Å; Q19-T23 PolarHBondContact O-OG1 2.82Å; T23-A25 PolarHBondContact O-N 3.24Å; T23-Q26 PolarHBondContact O-N 2.93Å; T23-E27 WeakPolarHBondContact O-CB 3.21Å; T23-E27 PolarHBondContact O-N 3.25Å
24R82.2Confident74.5Confident53 Ų5384.8 Ų84.820%0.246%0.457CS..Hα-helixtrans-62.3-40.5175-72.7172.3-170.3150.56.6113.5K20 K21 L22 E27 K28 R145 V148 D149K20-R24 VanDerWaalsContact O-CG 3.25Å; K20-R24 WeakPolarHBondContact O-CG 3.45Å; K20-R24 PolarHBondContact O-N 3.28Å; K20-R24 VanDerWaalsContact O-N 3.15Å; K21-R24 PolarHBondContact O-N 2.83Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.88Å; R24-E27 PolarHBondContact O-N 2.96Å; R24-K28 WeakPolarHBondContact O-CB 3.31Å; R24-K28 WeakPolarHBondContact O-CG 3.47Å; R24-K28 PolarHBondContact O-N 3.38Å; R24-R145 PolarHBondContact NE-O 2.81Å; R24-V148 HydrophobicContact CB-CG1 3.87Å; R24-V148 HydrophobicContact CG-CB 4.27Å; R24-V148 HydrophobicContact CG-CG1 3.85Å; R24-D149 IonicContact CZ-OD1 2.76Å; R24-D149 IonicContact CZ-OD2 3.56Å; R24-D149 IonicContact NE-OD1 2.66Å; R24-D149 PolarHBondContact NE-OD1 2.85Å; R24-D149 IonicContact NE-OD2 3.75Å; R24-D149 IonicContact NH2-OD1 2.65Å; R24-D149 PolarHBondContact NH2-OD1 3.47Å; R24-D149 IonicContact NH2-OD2 3.47Å; R24-D149 PolarHBondContact NH2-OD2 2.93Å
25A74.1Confident74.8Confident56 Ų5686.3 Ų86.346%0.46346%0.46SS..Hα-helixtrans-65.8-43.8177.100000110.6K21 L22 T23 V29K21-A25 PolarHBondContact O-N 2.69Å; L22-A25 PolarHBondContact O-N 2.9Å; T23-A25 PolarHBondContact O-N 3.24Å; A25-V29 VanDerWaalsContact O-CG2 3.31Å; A25-V29 WeakPolarHBondContact O-CG2 2.95Å; A25-V29 PolarHBondContact O-N 3.11Å; A25-V29 VanDerWaalsContact O-N 3.09Å
26Q80Confident74.8Confident114 Ų11484 Ų8453%0.53344%0.441SS..Hα-helixtrans-59.9-45.7174.2-179.2-179.7-22.600112L22 T23 V29 L30L22-Q26 WeakPolarHBondContact O-CB 3.48Å; L22-Q26 PolarHBondContact O-N 2.99Å; T23-Q26 PolarHBondContact O-N 2.93Å; Q26-V29 PolarHBondContact O-N 3.15Å; Q26-L30 HydrophobicContact CG-CD1 4.01Å; Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 3.06Å
27E79.2Confident74.6Confident4 Ų487.9 Ų87.92%0.01946%0.458CS..Hα-helixtrans-66.8-45.4-179.2-155.264.1-129.500111.9T23 R24 V29 L30 Q31 A36 V148 D151 S152 H155T23-E27 WeakPolarHBondContact O-CB 3.21Å; T23-E27 PolarHBondContact O-N 3.25Å; R24-E27 PolarHBondContact O-N 2.96Å; E27-V29 PolarHBondContact O-N 3.3Å; E27-L30 WeakPolarHBondContact O-CA 3.42Å; E27-L30 WeakPolarHBondContact O-CB 3.49Å; E27-L30 PolarHBondContact O-N 3.49Å; E27-Q31 WeakPolarHBondContact O-CB 3.35Å; E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 2.96Å; E27-A36 WeakPolarHBondContact OE1-CB 3.46Å; E27-V148 HydrophobicContact CB-CG1 3.99Å; E27-D151 HydrophobicContact CG-CB 4.5Å; E27-S152 VanDerWaalsContact OE2-CA 3.26Å; E27-S152 WeakPolarHBondContact OE2-CA 3.47Å; E27-S152 WeakPolarHBondContact OE2-CB 3.38Å; E27-S152 PolarHBondContact OE2-OG 3.11Å; E27-H155 IonicContact OE1-CE1 2.69Å; E27-H155 IonicContact OE1-CG 2.65Å; E27-H155 IonicContact OE1-ND1 2.69Å; E27-H155 PolarHBondContact OE1-ND1 2.92Å; E27-H155 IonicContact OE2-ND1 2.7Å
28K78Confident74.8Confident127 Ų12788.3 Ų88.355%0.55246%0.457SS*.Hα-helixtrans-58.2-35174-79-162.8168.2-146.80112.9R24 K32 V148R24-K28 WeakPolarHBondContact O-CB 3.31Å; R24-K28 WeakPolarHBondContact O-CG 3.47Å; R24-K28 PolarHBondContact O-N 3.38Å; K28-K32 WeakPolarHBondContact O-CB 3.25Å; K28-K32 WeakPolarHBondContact O-CG 3.3Å; K28-K32 PolarHBondContact O-N 2.87Å; K28-V148 HydrophobicContact CG-CG1 4.21Å; K28-V148 HydrophobicContact CG-CG2 4.26Å
29V76.1Confident74.8Confident84 Ų8486.4 Ų86.451%0.50945%0.445SS..Hα-helixtrans-72.1-38.1174.4169.30000111.4A25 Q26 E27 L33A25-V29 VanDerWaalsContact O-CG2 3.31Å; A25-V29 WeakPolarHBondContact O-CG2 2.95Å; A25-V29 PolarHBondContact O-N 3.11Å; A25-V29 VanDerWaalsContact O-N 3.09Å; Q26-V29 PolarHBondContact O-N 3.15Å; E27-V29 PolarHBondContact O-N 3.3Å; V29-L33 HydrophobicContact CG1-CD1 3.71Å; V29-L33 HydrophobicContact CG1-CG 4.38Å; V29-L33 VanDerWaalsContact O-CB 3.25Å; V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 WeakPolarHBondContact O-CD1 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 2.89Å
30L70.3Confident74.7Confident35 Ų3587.2 Ų87.218%0.18345%0.447CS..Hα-helixtrans-64.4-42.9174-73.1162.3000111.9Q26 E27 L33 G34 K35 A36Q26-L30 HydrophobicContact CG-CD1 4.01Å; Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 3.06Å; E27-L30 WeakPolarHBondContact O-CA 3.42Å; E27-L30 WeakPolarHBondContact O-CB 3.49Å; E27-L30 PolarHBondContact O-N 3.49Å; L30-L33 CarbonylContact O-C 3.53Å; L30-L33 PolarHBondContact O-N 3.39Å; L30-G34 PolarHBondContact O-N 2.7Å; L30-K35 HydrophobicContact CB-CB 4.45Å; L30-K35 HydrophobicContact CD2-CB 3.8Å; L30-K35 HydrophobicContact CD2-CD 4.3Å; L30-K35 PolarHBondContact O-N 2.82Å; L30-A36 HydrophobicContact CB-CB 3.93Å; L30-A36 PolarHBondContact O-N 2.91Å
31Q79.8Confident74.8Confident21 Ų2184.8 Ų84.810%0.09844%0.438CS..Hα-helixtrans-61.6-53.7174.6-70.6171.3-3300111.1E27 L33 G34 A36 E38 D151E27-Q31 WeakPolarHBondContact O-CB 3.35Å; E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 2.96Å; Q31-L33 PolarHBondContact O-N 2.87Å; Q31-L33 VanDerWaalsContact O-N 3.13Å; Q31-G34 PolarHBondContact O-N 2.94Å; Q31-A36 HydrophobicContact CG-CB 4.33Å; Q31-E38 HydrophobicContact CB-CB 4.37Å; Q31-E38 HydrophobicContact CG-CB 4.17Å; Q31-D151 PolarHBondContact NE2-OD2 3.24Å
32K74.4Confident75.4Confident201 Ų20185 Ų8587%0.87444%0.441SS*.Hα-helixtrans-59.9-23.7175.5-78.6-162171.2-159.30114.2K28K28-K32 WeakPolarHBondContact O-CB 3.25Å; K28-K32 WeakPolarHBondContact O-CG 3.3Å; K28-K32 PolarHBondContact O-N 2.87Å
33L70.6Confident75.8Confident101 Ų10187.7 Ų87.753%0.52945%0.451SS..THydrogen-bonded Turntrans-91.43.6175.9-70.2173000114.1V29 L30 Q31 K35V29-L33 HydrophobicContact CG1-CD1 3.71Å; V29-L33 HydrophobicContact CG1-CG 4.38Å; V29-L33 VanDerWaalsContact O-CB 3.25Å; V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 WeakPolarHBondContact O-CD1 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 2.89Å; L30-L33 CarbonylContact O-C 3.53Å; L30-L33 PolarHBondContact O-N 3.39Å; Q31-L33 PolarHBondContact O-N 2.87Å; Q31-L33 VanDerWaalsContact O-N 3.13Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 HydrophobicContact CB-CD 3.95Å; L33-K35 HydrophobicContact CB-CG 4.16Å; L33-K35 HydrophobicContact CD1-CD 4.41Å; L33-K35 PolarHBondContact O-N 3.03Å
34G69.8Low76.5Confident74 Ų7486 Ų8676%0.76344%0.44SS*.THydrogen-bonded Turntrans6430.4-176.800000113.6L30 Q31L30-G34 PolarHBondContact O-N 2.7Å; Q31-G34 PolarHBondContact O-N 2.94Å
35K70.6Confident77Confident136 Ų13687.9 Ų87.959%0.59145%0.451SS*.SBendtrans-109.8-8.6-176.8-68.2173.9-174.41720113.8L30 L33L30-K35 HydrophobicContact CB-CB 4.45Å; L30-K35 HydrophobicContact CD2-CB 3.8Å; L30-K35 HydrophobicContact CD2-CD 4.3Å; L30-K35 PolarHBondContact O-N 2.82Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 HydrophobicContact CB-CD 3.95Å; L33-K35 HydrophobicContact CB-CG 4.16Å; L33-K35 HydrophobicContact CD1-CD 4.41Å; L33-K35 PolarHBondContact O-N 3.03Å
36A64.6Low77.9Confident14 Ų1489.7 Ų89.712%0.11645%0.45CS..SBendtrans-144.3144169.300000108.3E27 L30 Q31E27-A36 WeakPolarHBondContact OE1-CB 3.46Å; L30-A36 HydrophobicContact CB-CB 3.93Å; L30-A36 PolarHBondContact O-N 2.91Å; Q31-A36 HydrophobicContact CG-CB 4.33Å
37D63.8Low78.6Confident130 Ų13085.8 Ų85.870%0.69544%0.435SS*.  trans-78.1125.9180-69-31.9000110.8R154D37-R154 PolarHBondContact O-NH2 2.98Å
38E74Confident79.5Confident105 Ų10586.9 Ų86.949%0.49144%0.442SS..  trans-80.7129174.4-178.1174.4-129.300110.9Q31 K40Q31-E38 HydrophobicContact CB-CB 4.37Å; Q31-E38 HydrophobicContact CG-CB 4.17Å; E38-K40 HydrophobicContact CG-CG 4.31Å; E38-K40 PolarHBondContact O-N 2.74Å; E38-K40 WeakPolarHBondContact OE2-CE 3.5Å; E38-K40 IonicContact OE2-NZ 2.71Å; E38-K40 PolarHBondContact OE2-NZ 2.97Å
39T75.9Confident80.4Confident50 Ų5086 Ų8631%0.30744%0.44SS..  trans-76.4102.2173.2-62.50000109.5L147 D151 R154T39-L147 HydrophobicContact CG2-CD1 3.87Å; T39-D151 WeakPolarHBondContact CB-OD1 3.37Å; T39-D151 PolarHBondContact N-OD2 3.42Å; T39-D151 PolarHBondContact OG1-OD1 2.91Å; T39-R154 PolarHBondContact OG1-NH2 3.38Å
40K73.1Confident81.4Confident138 Ų13883.9 Ų83.960%0.643%0.425SS*.  trans-89.7144.7178.1-61.8-159.1173.9-144.80112.8E38E38-K40 HydrophobicContact CG-CG 4.31Å; E38-K40 PolarHBondContact O-N 2.74Å; E38-K40 WeakPolarHBondContact OE2-CE 3.5Å; E38-K40 IonicContact OE2-NZ 2.71Å; E38-K40 PolarHBondContact OE2-NZ 2.97Å
41D82.6Confident82.7Confident33 Ų3382.4 Ų82.418%0.17642%0.418CS..  trans-140.778.9-179.8-176.7-9.3000109.1Q43 F44 E45 R143 Q224D41-Q43 PolarHBondContact O-N 2.9Å; D41-Q43 PolarHBondContact OD1-N 3.01Å; D41-F44 HydrophobicContact CB-CB 4.06Å; D41-F44 PolarHBondContact O-N 3.23Å; D41-F44 VanDerWaalsContact O-N 3.11Å; D41-F44 WeakPolarHBondContact OD1-CB 3.39Å; D41-F44 PolarHBondContact OD1-N 3.27Å; D41-F44 WeakPolarHBondContact OD2-CB 3.26Å; D41-E45 WeakPolarHBondContact O-CG 3.25Å; D41-E45 PolarHBondContact O-N 2.99Å; D41-R143 IonicContact OD2-CZ 2.74Å; D41-R143 IonicContact OD2-NH2 3.59Å; D41-R143 PolarHBondContact OD2-NH2 2.83Å; D41-Q224 PolarHBondContact OD2-NE2 3.44Å
42E86.5Confident83.6Confident155 Ų15584.9 Ų84.972%0.72443%0.431SS*.Hα-helixtrans-57.5-30.5-176.3-60.6177.7171.600112.3Q46E42-Q46 WeakPolarHBondContact O-CB 3.25Å; E42-Q46 PolarHBondContact O-N 2.73Å
43Q88Confident84.7Confident160 Ų16080.5 Ų80.575%0.74841%0.412SS*.Hα-helixtrans-71.4-45.1177.3-63.3-1735.600111.1D41 Q46 C47D41-Q43 PolarHBondContact O-N 2.9Å; D41-Q43 PolarHBondContact OD1-N 3.01Å; Q43-Q46 PolarHBondContact O-N 2.93Å; Q43-C47 PolarHBondContact O-N 2.81Å; Q43-C47 PolarHBondContact O-SG 2.91Å; Q43-C47 VanDerWaalsContact O-SG 3.34Å
44F92.4Very high86Confident14 Ų1475.8 Ų75.86%0.06139%0.387CS..Hα-helixtrans-67-39.6174.4-171.3-86.7000112.3D41 Q46 C47 V48 I140 R143 L223 Q224 L227D41-F44 HydrophobicContact CB-CB 4.06Å; D41-F44 PolarHBondContact O-N 3.23Å; D41-F44 VanDerWaalsContact O-N 3.11Å; D41-F44 WeakPolarHBondContact OD1-CB 3.39Å; D41-F44 PolarHBondContact OD1-N 3.27Å; D41-F44 WeakPolarHBondContact OD2-CB 3.26Å; F44-Q46 VanDerWaalsContact C-N 3.32Å; F44-Q46 PolarHBondContact O-N 3.39Å; F44-C47 WeakPolarHBondContact O-CB 3.14Å; F44-C47 PolarHBondContact O-N 3.48Å; F44-C47 VanDerWaalsContact O-N 3.14Å; F44-V48 HydrophobicContact CD1-CG2 3.72Å; F44-V48 HydrophobicContact CE1-CG2 3.29Å; F44-V48 HydrophobicContact CZ-CG2 3.96Å; F44-V48 WeakPolarHBondContact O-CG2 3.5Å; F44-V48 PolarHBondContact O-N 2.81Å; F44-I140 HydrophobicContact CE1-CG2 4.4Å; F44-I140 HydrophobicContact CZ-CG1 4.42Å; F44-R143 VanDerWaalsContact CE2-CD 3.47Å; F44-R143 VanDerWaalsContact CG-CZ 3.47Å; F44-R143 VanDerWaalsContact CG-NH1 3.34Å; F44-L223 HydrophobicContact CE2-CB 3.67Å; F44-L223 HydrophobicContact CE2-CD1 4.42Å; F44-L223 HydrophobicContact CZ-CB 4.17Å; F44-L223 HydrophobicContact CZ-CD1 4.14Å; F44-Q224 HydrophobicContact CD2-CG 4.11Å; F44-L227 HydrophobicContact CD2-CD1 4.46Å; F44-L227 HydrophobicContact CE2-CD1 3.74Å; F44-L227 HydrophobicContact CZ-CD1 3.84Å
45E92.9Very high87.4Confident94 Ų9473.7 Ų73.744%0.43936%0.359SS..Hα-helixtrans-59-43.7174.3-73.4171.7-145.600110.9D41 C47 V48 Q49D41-E45 WeakPolarHBondContact O-CG 3.25Å; D41-E45 PolarHBondContact O-N 2.99Å; E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 2.83Å; E45-V48 PolarHBondContact O-N 2.9Å; E45-Q49 WeakPolarHBondContact O-CG 3.39Å; E45-Q49 PolarHBondContact O-N 3.28Å
46Q93.8Very high88.7Confident93 Ų9371.6 Ų71.644%0.43536%0.358SS..Hα-helixtrans-62.8-37.7173.9-174.262.294.900112.7E42 Q43 F44 Q49 N50E42-Q46 WeakPolarHBondContact O-CB 3.25Å; E42-Q46 PolarHBondContact O-N 2.73Å; Q43-Q46 PolarHBondContact O-N 2.93Å; F44-Q46 VanDerWaalsContact C-N 3.32Å; F44-Q46 PolarHBondContact O-N 3.39Å; Q46-Q49 PolarHBondContact O-N 3.44Å; Q46-N50 VanDerWaalsContact O-CG 3.32Å; Q46-N50 PolarHBondContact O-N 3.35Å; Q46-N50 PolarHBondContact O-ND2 3.44Å
47C95.3Very high90.3Very high32 Ų3273.2 Ų73.222%0.21636%0.363CS..Hα-helixtrans-65.2-37.9173.2-71.50000112.6Q43 F44 E45 N50 F51 L227Q43-C47 PolarHBondContact O-N 2.81Å; Q43-C47 PolarHBondContact O-SG 2.91Å; Q43-C47 VanDerWaalsContact O-SG 3.34Å; F44-C47 WeakPolarHBondContact O-CB 3.14Å; F44-C47 PolarHBondContact O-N 3.48Å; F44-C47 VanDerWaalsContact O-N 3.14Å; E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 2.83Å; C47-N50 PolarHBondContact O-N 3.29Å; C47-F51 WeakPolarHBondContact O-CB 3.34Å; C47-F51 PolarHBondContact O-N 2.95Å; C47-L227 HydrophobicContact CB-CB 4.06Å; C47-L227 HydrophobicContact CB-CD1 4.11Å
48V96.7Very high91.9Very high28 Ų2867 Ų6717%0.1733%0.33CS..Hα-helixtrans-69.5-38.3175.3172.70000111.8F44 E45 F51 N52 I140 L227F44-V48 HydrophobicContact CD1-CG2 3.72Å; F44-V48 HydrophobicContact CE1-CG2 3.29Å; F44-V48 HydrophobicContact CZ-CG2 3.96Å; F44-V48 WeakPolarHBondContact O-CG2 3.5Å; F44-V48 PolarHBondContact O-N 2.81Å; E45-V48 PolarHBondContact O-N 2.9Å; V48-F51 PolarHBondContact O-N 2.91Å; V48-N52 WeakPolarHBondContact O-CB 3.2Å; V48-N52 PolarHBondContact O-N 2.69Å; V48-N52 PolarHBondContact O-ND2 3.11Å; V48-I140 HydrophobicContact CG1-CG2 4.25Å; V48-I140 HydrophobicContact CG2-CD1 4.32Å; V48-I140 HydrophobicContact CG2-CG1 4.39Å; V48-I140 HydrophobicContact CG2-CG2 3.77Å; V48-L227 HydrophobicContact CG2-CD1 4.39Å
49Q96.8Very high93Very high109 Ų10965.1 Ų65.151%0.50933%0.325SS..Hα-helixtrans-60.2-46.5171.8-69.9172.514.200111.3E45 Q46 N52 K53E45-Q49 WeakPolarHBondContact O-CG 3.39Å; E45-Q49 PolarHBondContact O-N 3.28Å; Q46-Q49 PolarHBondContact O-N 3.44Å; Q49-N52 PolarHBondContact O-N 2.65Å; Q49-K53 WeakPolarHBondContact O-CB 3.48Å; Q49-K53 PolarHBondContact O-N 3.21Å
50N97.4Very high94.1Very high39 Ų3969.4 Ų69.421%0.20934%0.335CS..Hα-helixtrans-61.2-44.7176.3-74.5-27000111.8Q46 C47 K53 Q54 W231Q46-N50 VanDerWaalsContact O-CG 3.32Å; Q46-N50 PolarHBondContact O-N 3.35Å; Q46-N50 PolarHBondContact O-ND2 3.44Å; C47-N50 PolarHBondContact O-N 3.29Å; N50-K53 PolarHBondContact O-N 2.69Å; N50-Q54 VanDerWaalsContact O-CB 3.28Å; N50-Q54 WeakPolarHBondContact O-CB 2.92Å; N50-Q54 PolarHBondContact O-N 2.86Å; N50-W231 HydrophobicContact CB-CD2 3.83Å; N50-W231 HydrophobicContact CB-CE3 3.84Å; N50-W231 HydrophobicContact CB-CG 4.36Å; N50-W231 HydrophobicContact CB-CH2 4.3Å; N50-W231 HydrophobicContact CB-CZ2 4.27Å; N50-W231 HydrophobicContact CB-CZ3 4.09Å; N50-W231 WeakPolarHBondContact O-CZ3 3.44Å
51F98.5Very high95.3Very high4 Ų464.3 Ų64.32%0.01832%0.315CS..Hα-helixtrans-58.7-48.1175.2171.9-92.4000112.7C47 V48 Q54 L55 F133 I136 K137 I140 L227 L230C47-F51 WeakPolarHBondContact O-CB 3.34Å; C47-F51 PolarHBondContact O-N 2.95Å; V48-F51 PolarHBondContact O-N 2.91Å; F51-Q54 PolarHBondContact O-N 3.5Å; F51-L55 WeakPolarHBondContact O-CB 3.49Å; F51-L55 PolarHBondContact O-N 2.65Å; F51-F133 AromaticContact CD2-CD1 3.99Å; F51-F133 HydrophobicContact CD2-CD1 3.99Å; F51-F133 HydrophobicContact CD2-CE1 4.18Å; F51-F133 HydrophobicContact CE2-CB 4.35Å; F51-F133 AromaticContact CE2-CD1 3.4Å; F51-F133 HydrophobicContact CE2-CD1 3.4Å; F51-F133 HydrophobicContact CE2-CE1 4.02Å; F51-F133 HydrophobicContact CE2-CG 4.17Å; F51-F133 HydrophobicContact CZ-CB 4.13Å; F51-F133 AromaticContact CZ-CD1 3.72Å; F51-F133 HydrophobicContact CZ-CD1 3.72Å; F51-F133 HydrophobicContact CZ-CG 4.35Å; F51-I136 HydrophobicContact CD2-CG2 3.96Å; F51-I136 HydrophobicContact CE2-CB 3.85Å; F51-I136 HydrophobicContact CE2-CG2 3.42Å; F51-I136 VanDerWaalsContact CE2-CG2 3.42Å; F51-I136 HydrophobicContact CZ-CB 4.19Å; F51-I136 HydrophobicContact CZ-CG2 3.98Å; F51-K137 HydrophobicContact CE1-CB 3.95Å; F51-K137 HydrophobicContact CE1-CG 4.27Å; F51-K137 HydrophobicContact CZ-CB 3.94Å; F51-I140 HydrophobicContact CD1-CD1 3.57Å; F51-I140 HydrophobicContact CD2-CD1 4.31Å; F51-I140 HydrophobicContact CE1-CD1 3.73Å; F51-I140 HydrophobicContact CE2-CD1 4.44Å; F51-I140 HydrophobicContact CG-CD1 3.89Å; F51-I140 HydrophobicContact CZ-CD1 4.17Å; F51-L227 HydrophobicContact CB-CD2 4.18Å; F51-L227 HydrophobicContact CD2-CD2 3.76Å; F51-L227 HydrophobicContact CE2-CD2 4.47Å; F51-L227 HydrophobicContact CG-CD2 4.12Å; F51-L230 HydrophobicContact CD2-CD2 3.83Å; F51-L230 HydrophobicContact CE2-CD2 3.85Å
52N98Very high96Very high72 Ų7264.2 Ų64.239%0.38531%0.313SS..Hα-helixtrans-63.5-43.7178.3-73.9-26.4000111.1V48 Q49 Q54 L55 T56V48-N52 WeakPolarHBondContact O-CB 3.2Å; V48-N52 PolarHBondContact O-N 2.69Å; V48-N52 PolarHBondContact O-ND2 3.11Å; Q49-N52 PolarHBondContact O-N 2.65Å; N52-Q54 PolarHBondContact O-N 2.86Å; N52-L55 PolarHBondContact O-N 2.79Å; N52-T56 PolarHBondContact O-N 3.12Å; N52-T56 PolarHBondContact O-OG1 3.3Å; N52-T56 VanDerWaalsContact O-OG1 3.11Å
53K98.1Very high96.6Very high110 Ų11063.6 Ų63.648%0.47831%0.308SS..Hα-helixtrans-58.8-46.2174.4176.6173177.2172.70111.9Q49 N50 L55 T56 E57 W231Q49-K53 WeakPolarHBondContact O-CB 3.48Å; Q49-K53 PolarHBondContact O-N 3.21Å; N50-K53 PolarHBondContact O-N 2.69Å; K53-L55 VanDerWaalsContact C-N 3.34Å; K53-L55 PolarHBondContact O-N 3.37Å; K53-T56 PolarHBondContact O-N 3.13Å; K53-E57 WeakPolarHBondContact CE-OE1 3.34Å; K53-E57 HydrophobicContact CG-CG 4.33Å; K53-E57 IonicContact NZ-OE1 3.77Å; K53-E57 WeakPolarHBondContact O-CB 3.44Å; K53-E57 WeakPolarHBondContact O-CG 3.38Å; K53-E57 PolarHBondContact O-N 2.96Å; K53-W231 HydrophobicContact CD-CH2 4.45Å
54Q98.4Very high97.1Very high1 Ų159.8 Ų59.81%0.00529%0.293CS..Hα-helixtrans-61.9-41.1179.5-169.7-178-4.500112.2N50 F51 N52 G58 Y129 F133 L230 W231 R234N50-Q54 VanDerWaalsContact O-CB 3.28Å; N50-Q54 WeakPolarHBondContact O-CB 2.92Å; N50-Q54 PolarHBondContact O-N 2.86Å; F51-Q54 PolarHBondContact O-N 3.5Å; N52-Q54 PolarHBondContact O-N 2.86Å; Q54-G58 PolarHBondContact O-N 2.84Å; Q54-Y129 PolarHBondContact NE2-OH 3.44Å; Q54-F133 HydrophobicContact CB-CE1 4.11Å; Q54-F133 HydrophobicContact CB-CZ 4.43Å; Q54-F133 HydrophobicContact CG-CE1 3.96Å; Q54-F133 HydrophobicContact CG-CZ 3.78Å; Q54-L230 PolarHBondContact NE2-O 3.47Å; Q54-W231 HydrophobicContact CB-CE3 3.94Å; Q54-W231 HydrophobicContact CB-CZ3 3.9Å; Q54-W231 HydrophobicContact CG-CE3 4.25Å; Q54-W231 HydrophobicContact CG-CZ3 4.46Å; Q54-R234 HydrophobicContact CG-CB 4.32Å
55L98.1Very high97.4Very high31 Ų3159.6 Ų59.616%0.16229%0.292CS..Hα-helixtrans-61.4-50.6173.6178.553.7000110.7F51 N52 K53 E57 G58 T59 L130 F133 K137F51-L55 WeakPolarHBondContact O-CB 3.49Å; F51-L55 PolarHBondContact O-N 2.65Å; N52-L55 PolarHBondContact O-N 2.79Å; K53-L55 VanDerWaalsContact C-N 3.34Å; K53-L55 PolarHBondContact O-N 3.37Å; L55-E57 PolarHBondContact O-N 2.82Å; L55-G58 PolarHBondContact O-N 3.26Å; L55-T59 WeakPolarHBondContact O-CB 3.39Å; L55-T59 PolarHBondContact O-N 3.01Å; L55-T59 PolarHBondContact O-OG1 2.97Å; L55-L130 HydrophobicContact CD1-CD2 4.28Å; L55-F133 HydrophobicContact CB-CD1 3.73Å; L55-F133 HydrophobicContact CB-CE1 4.07Å; L55-F133 HydrophobicContact CD1-CB 3.83Å; L55-F133 HydrophobicContact CD1-CD1 3.99Å; L55-F133 HydrophobicContact CD1-CG 3.9Å; L55-F133 HydrophobicContact CD2-CB 4.49Å; L55-F133 HydrophobicContact CG-CD1 4.3Å; L55-K137 HydrophobicContact CD2-CD 4.24Å
56T98.3Very high97.6Very high92 Ų9260 Ų6056%0.56429%0.29SS*.Hα-helixtrans-61.7-43.7179.4-58.50000112.6N52 K53 R60N52-T56 PolarHBondContact O-N 3.12Å; N52-T56 PolarHBondContact O-OG1 3.3Å; N52-T56 VanDerWaalsContact O-OG1 3.11Å; K53-T56 PolarHBondContact O-N 3.13Å; T56-R60 WeakPolarHBondContact O-CB 3.3Å; T56-R60 PolarHBondContact O-N 2.66Å
57E97.8Very high97.9Very high48 Ų4859.4 Ų59.422%0.22429%0.293CS..Hα-helixtrans-65.1-42.9177.2-72.7179163.500112.1K53 L55 L61 Y238K53-E57 WeakPolarHBondContact CE-OE1 3.34Å; K53-E57 HydrophobicContact CG-CG 4.33Å; K53-E57 IonicContact NZ-OE1 3.77Å; K53-E57 WeakPolarHBondContact O-CB 3.44Å; K53-E57 WeakPolarHBondContact O-CG 3.38Å; K53-E57 PolarHBondContact O-N 2.96Å; L55-E57 PolarHBondContact O-N 2.82Å; E57-L61 WeakPolarHBondContact O-CB 3.37Å; E57-L61 PolarHBondContact O-N 3.4Å; E57-Y238 WeakPolarHBondContact CB-OH 3.31Å
58G97.5Very high98Very high0 Ų061.2 Ų61.20%030%0.296CS..Hα-helixtrans-66.9-44.1176.400000113Q54 L55 R60 L61 Q62Q54-G58 PolarHBondContact O-N 2.84Å; L55-G58 PolarHBondContact O-N 3.26Å; G58-R60 VanDerWaalsContact C-N 3.33Å; G58-R60 PolarHBondContact O-N 2.91Å; G58-L61 PolarHBondContact O-N 3.45Å; G58-Q62 WeakPolarHBondContact O-CB 3.42Å; G58-Q62 PolarHBondContact O-N 3.48Å
59T97.9Very high98.1Very high64 Ų6460.3 Ų60.339%0.39329%0.29SS..Hα-helixtrans-63.7-37.7176.4-60.90000111.9L55 Q62 K63L55-T59 WeakPolarHBondContact O-CB 3.39Å; L55-T59 PolarHBondContact O-N 3.01Å; L55-T59 PolarHBondContact O-OG1 2.97Å; T59-Q62 PolarHBondContact O-N 3.02Å; T59-K63 PolarHBondContact O-N 3.1Å
60R98.3Very high98.2Very high140 Ų14057.9 Ų57.953%0.52829%0.289SS..Hα-helixtrans-61.6-51.3171.6-174.5179.866.2-132.7-5.3111T56 G58 Q62 K63 D64T56-R60 WeakPolarHBondContact O-CB 3.3Å; T56-R60 PolarHBondContact O-N 2.66Å; G58-R60 VanDerWaalsContact C-N 3.33Å; G58-R60 PolarHBondContact O-N 2.91Å; R60-Q62 VanDerWaalsContact C-N 3.29Å; R60-Q62 PolarHBondContact O-N 3.25Å; R60-K63 WeakPolarHBondContact O-CB 3.34Å; R60-K63 PolarHBondContact O-N 3.41Å; R60-D64 PolarHBondContact O-N 2.89Å
61L98Very high98.3Very high31 Ų3159.1 Ų59.116%0.16230%0.3CS..Hα-helixtrans-61.1-35.5179.4-176.859.2000112.8E57 G58 D64 L65 M126 Y238 F242E57-L61 WeakPolarHBondContact O-CB 3.37Å; E57-L61 PolarHBondContact O-N 3.4Å; G58-L61 PolarHBondContact O-N 3.45Å; L61-D64 PolarHBondContact O-N 3.29Å; L61-L65 VanDerWaalsContact O-CB 3.3Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 PolarHBondContact O-N 3.21Å; L61-M126 HydrophobicContact CB-CE 4.36Å; L61-M126 HydrophobicContact CB-SD 4.47Å; L61-M126 HydrophobicContact CD2-CE 3.73Å; L61-M126 HydrophobicContact CG-CE 3.63Å; L61-M126 HydrophobicContact CG-SD 4.37Å; L61-Y238 HydrophobicContact CD2-CD1 3.76Å; L61-Y238 HydrophobicContact CD2-CE1 3.89Å; L61-F242 HydrophobicContact CD1-CE2 4.13Å; L61-F242 HydrophobicContact CD1-CZ 3.67Å; L61-F242 HydrophobicContact CD2-CE2 4.05Å; L61-F242 HydrophobicContact CD2-CZ 4.44Å
62Q98.2Very high98.3Very high31 Ų3159.4 Ų59.415%0.14530%0.302CS..Hα-helixtrans-63.9-42.5172.9-173.2-160.561.200112.2G58 T59 R60 R66 L123 M126 D127 L130G58-Q62 WeakPolarHBondContact O-CB 3.42Å; G58-Q62 PolarHBondContact O-N 3.48Å; T59-Q62 PolarHBondContact O-N 3.02Å; R60-Q62 VanDerWaalsContact C-N 3.29Å; R60-Q62 PolarHBondContact O-N 3.25Å; Q62-R66 VanDerWaalsContact CD-CZ 3.5Å; Q62-R66 VanDerWaalsContact CD-NH2 3.29Å; Q62-R66 WeakPolarHBondContact O-CG 3.48Å; Q62-R66 PolarHBondContact O-N 2.92Å; Q62-R66 VanDerWaalsContact O-N 3.09Å; Q62-L123 HydrophobicContact CG-CD1 4.43Å; Q62-M126 HydrophobicContact CB-CG 3.55Å; Q62-M126 HydrophobicContact CB-SD 3.87Å; Q62-M126 HydrophobicContact CG-CG 3.62Å; Q62-D127 PolarHBondContact NE2-OD1 2.95Å; Q62-L130 HydrophobicContact CB-CD1 3.64Å; Q62-L130 HydrophobicContact CG-CD1 3.91Å
63K98.4Very high98.3Very high143 Ų14361.6 Ų61.662%0.62231%0.308SS*.Hα-helixtrans-62.7-48.9174.8-179.5179.4177.7177.80110.7T59 R60 L65 R66 T67T59-K63 PolarHBondContact O-N 3.1Å; R60-K63 WeakPolarHBondContact O-CB 3.34Å; R60-K63 PolarHBondContact O-N 3.41Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 3.18Å; K63-R66 PolarHBondContact O-N 3.1Å; K63-R66 VanDerWaalsContact O-N 3.14Å; K63-T67 PolarHBondContact O-N 2.79Å; K63-T67 PolarHBondContact O-OG1 2.98Å
64D98.4Very high98.3Very high80 Ų8059.3 Ų59.343%0.42831%0.31SS..Hα-helixtrans-61.5-41.3-179.5-59.3-23.7000111.4R60 L61 T67 Y68R60-D64 PolarHBondContact O-N 2.89Å; L61-D64 PolarHBondContact O-N 3.29Å; D64-T67 WeakPolarHBondContact O-CB 3.39Å; D64-T67 PolarHBondContact O-N 3.32Å; D64-Y68 PolarHBondContact O-N 3.34Å
65L98.3Very high98.3Very high9 Ų964.6 Ų64.65%0.04734%0.336CS..Hα-helixtrans-63.8-38.5174.5179.958.4000112.7L61 K63 Y68 L69 A122 L123 M126 I245L61-L65 VanDerWaalsContact O-CB 3.3Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 PolarHBondContact O-N 3.21Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 3.18Å; L65-Y68 PolarHBondContact O-N 2.96Å; L65-L69 HydrophobicContact CG-CD1 4.49Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.77Å; L65-A122 HydrophobicContact CD2-CB 4.08Å; L65-L123 HydrophobicContact CD2-CB 4.2Å; L65-L123 HydrophobicContact CD2-CD1 4.11Å; L65-L123 HydrophobicContact CG-CD1 4.41Å; L65-M126 HydrophobicContact CD2-CB 4.47Å; L65-M126 HydrophobicContact CD2-CE 4.29Å; L65-I245 HydrophobicContact CD1-CD1 3.89Å; L65-I245 HydrophobicContact CD1-CG1 4.49Å
66R98.3Very high98.4Very high102 Ų10264.1 Ų64.139%0.38533%0.333SS..Hα-helixtrans-68.2-35.6173.3-71.4-173.4-172.6117.66.6112Q62 K63 L69 A70 L123 D127Q62-R66 VanDerWaalsContact CD-CZ 3.5Å; Q62-R66 VanDerWaalsContact CD-NH2 3.29Å; Q62-R66 WeakPolarHBondContact O-CG 3.48Å; Q62-R66 PolarHBondContact O-N 2.92Å; Q62-R66 VanDerWaalsContact O-N 3.09Å; K63-R66 PolarHBondContact O-N 3.1Å; K63-R66 VanDerWaalsContact O-N 3.14Å; R66-L69 PolarHBondContact O-N 3.47Å; R66-A70 PolarHBondContact O-N 3.1Å; R66-L123 HydrophobicContact CG-CD1 3.83Å; R66-L123 HydrophobicContact CG-CD2 4.15Å; R66-D127 IonicContact CZ-OD1 3.61Å; R66-D127 IonicContact NH2-OD1 2.75Å; R66-D127 PolarHBondContact NH2-OD1 3.19Å; R66-D127 IonicContact NH2-OD2 2.78Å; R66-D127 PolarHBondContact NH2-OD2 2.84Å
67T98.7Very high98.4Very high82 Ų8263.7 Ų63.750%0.50332%0.324SS..Hα-helixtrans-66.3-38.6172.6-61.60000112K63 D64 A70 S71K63-T67 PolarHBondContact O-N 2.79Å; K63-T67 PolarHBondContact O-OG1 2.98Å; D64-T67 WeakPolarHBondContact O-CB 3.39Å; D64-T67 PolarHBondContact O-N 3.32Å; T67-A70 PolarHBondContact O-N 3.17Å; T67-S71 PolarHBondContact O-N 3.42Å; T67-S71 PolarHBondContact O-OG 3.23Å
68Y98.7Very high98.4Very high70 Ų7064 Ų6428%0.27534%0.335SS..Hα-helixtrans-63.4-47.8172.4179.9-99.3000111.8D64 L65 A70 S71 V72 Y114 L118 E249D64-Y68 PolarHBondContact O-N 3.34Å; L65-Y68 PolarHBondContact O-N 2.96Å; Y68-A70 VanDerWaalsContact C-N 3.33Å; Y68-A70 PolarHBondContact O-N 3.41Å; Y68-S71 CarbonylContact O-C 3.6Å; Y68-S71 WeakPolarHBondContact O-CA 3.46Å; Y68-S71 VanDerWaalsContact O-CB 3.32Å; Y68-S71 WeakPolarHBondContact O-CB 3.49Å; Y68-S71 PolarHBondContact O-N 3.25Å; Y68-V72 HydrophobicContact CD1-CG2 4.22Å; Y68-V72 HydrophobicContact CE1-CG2 3.98Å; Y68-V72 WeakPolarHBondContact O-CG2 3.22Å; Y68-V72 PolarHBondContact O-N 3.33Å; Y68-Y114 PolarHBondContact OH-OH 3.28Å; Y68-L118 HydrophobicContact CD1-CD1 4.36Å; Y68-L118 HydrophobicContact CE1-CD1 3.79Å; Y68-L118 HydrophobicContact CE1-CD2 4.42Å; Y68-E249 VanDerWaalsContact OH-CD 3.29Å; Y68-E249 PolarHBondContact OH-OE1 3.11Å
69L98.4Very high98.5Very high9 Ų965.2 Ų65.25%0.04734%0.344CS..Hα-helixtrans-56.8-42.3174.3-79164.9000113L65 R66 S71 V72 K73 L118 V119 L123L65-L69 HydrophobicContact CG-CD1 4.49Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.77Å; R66-L69 PolarHBondContact O-N 3.47Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 2.91Å; L69-V72 PolarHBondContact O-N 3.3Å; L69-K73 PolarHBondContact O-N 3.17Å; L69-L118 HydrophobicContact CD2-CB 3.55Å; L69-L118 HydrophobicContact CD2-CD1 4.14Å; L69-V119 HydrophobicContact CD1-CG2 4.11Å; L69-V119 HydrophobicContact CD2-CG2 3.92Å; L69-L123 HydrophobicContact CD1-CB 4.15Å; L69-L123 HydrophobicContact CD1-CD2 3.75Å; L69-L123 HydrophobicContact CD1-CG 4.43Å
70A98.6Very high98.5Very high58 Ų5865 Ų6548%0.47934%0.338SS..Hα-helixtrans-63.5-37174.200000112.2R66 T67 Y68 K73 A74R66-A70 PolarHBondContact O-N 3.1Å; T67-A70 PolarHBondContact O-N 3.17Å; Y68-A70 VanDerWaalsContact C-N 3.33Å; Y68-A70 PolarHBondContact O-N 3.41Å; A70-K73 PolarHBondContact O-N 3.37Å; A70-A74 PolarHBondContact O-N 3.21Å
71S98.8Very high98.5Very high64 Ų6463.5 Ų63.545%0.44834%0.335SS..Hα-helixtrans-68-38.9175.7-54.10000112T67 Y68 L69 A74 M75T67-S71 PolarHBondContact O-N 3.42Å; T67-S71 PolarHBondContact O-OG 3.23Å; Y68-S71 CarbonylContact O-C 3.6Å; Y68-S71 WeakPolarHBondContact O-CA 3.46Å; Y68-S71 VanDerWaalsContact O-CB 3.32Å; Y68-S71 WeakPolarHBondContact O-CB 3.49Å; Y68-S71 PolarHBondContact O-N 3.25Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 2.91Å; S71-A74 PolarHBondContact O-N 2.96Å; S71-M75 WeakPolarHBondContact O-CB 3.29Å; S71-M75 PolarHBondContact O-N 2.89Å
72V98.6Very high98.5Very high11 Ų1168 Ų687%0.06736%0.358CS..Hα-helixtrans-60.9-45.6172.71690000110.8Y68 L69 A74 M75 H76 W111 Y114 H115 L118Y68-V72 HydrophobicContact CD1-CG2 4.22Å; Y68-V72 HydrophobicContact CE1-CG2 3.98Å; Y68-V72 WeakPolarHBondContact O-CG2 3.22Å; Y68-V72 PolarHBondContact O-N 3.33Å; L69-V72 PolarHBondContact O-N 3.3Å; V72-A74 PolarHBondContact O-N 3.02Å; V72-M75 PolarHBondContact O-N 3.09Å; V72-H76 WeakPolarHBondContact O-CB 3.32Å; V72-H76 PolarHBondContact O-N 3.24Å; V72-W111 HydrophobicContact CG1-CE3 4.08Å; V72-W111 HydrophobicContact CG1-CZ3 4.06Å; V72-Y114 HydrophobicContact CG1-CD1 4.07Å; V72-Y114 HydrophobicContact CG1-CE1 4.16Å; V72-Y114 HydrophobicContact CG2-CE1 4.17Å; V72-H115 HydrophobicContact CG1-CB 4.09Å; V72-L118 HydrophobicContact CG2-CD1 4.32Å
73K98.4Very high98.4Very high117 Ų11767.7 Ų67.751%0.50936%0.357SS..Hα-helixtrans-60.4-44.6173.8-69.4-169.4-177.6-171.50112.7L69 A70 M75 H76 E77 H115L69-K73 PolarHBondContact O-N 3.17Å; A70-K73 PolarHBondContact O-N 3.37Å; K73-M75 VanDerWaalsContact C-N 3.31Å; K73-M75 PolarHBondContact O-N 3.41Å; K73-H76 WeakPolarHBondContact O-CB 3.38Å; K73-H76 PolarHBondContact O-N 2.93Å; K73-E77 PolarHBondContact O-N 2.83Å; K73-H115 WeakPolarHBondContact CE-CE1 3.49Å; K73-H115 WeakPolarHBondContact CE-NE2 3.38Å
74A98.8Very high98.4Very high62 Ų6264.9 Ų64.951%0.51235%0.347SS..Hα-helixtrans-64-37.4179.400000112.2A70 S71 V72 A78A70-A74 PolarHBondContact O-N 3.21Å; S71-A74 PolarHBondContact O-N 2.96Å; V72-A74 PolarHBondContact O-N 3.02Å; A74-A78 WeakPolarHBondContact O-CB 3.35Å; A74-A78 PolarHBondContact O-N 2.9Å; A74-A78 VanDerWaalsContact O-N 3.07Å
75M98.8Very high98.4Very high112 Ų11264.7 Ų64.755%0.55235%0.351SS*.Hα-helixtrans-70-40.5175.7-169.260.866.200112.3S71 V72 K73 A78 S79 W111S71-M75 WeakPolarHBondContact O-CB 3.29Å; S71-M75 PolarHBondContact O-N 2.89Å; V72-M75 PolarHBondContact O-N 3.09Å; K73-M75 VanDerWaalsContact C-N 3.31Å; K73-M75 PolarHBondContact O-N 3.41Å; M75-A78 PolarHBondContact O-N 3.46Å; M75-S79 VanDerWaalsContact O-CB 3.29Å; M75-S79 WeakPolarHBondContact O-CB 3.47Å; M75-S79 PolarHBondContact O-N 3.34Å; M75-W111 HydrophobicContact CB-CH2 3.83Å; M75-W111 HydrophobicContact CB-CZ2 4.31Å; M75-W111 HydrophobicContact CB-CZ3 4.3Å; M75-W111 HydrophobicContact CG-CH2 3.37Å; M75-W111 HydrophobicContact CG-CZ2 3.63Å; M75-W111 HydrophobicContact CG-CZ3 4.3Å
76H98.6Very high98.2Very high22 Ų2266.5 Ų66.510%0.10236%0.36CS..Hα-helixtrans-57.1-51.8171.8171.5-156.4000111.3V72 K73 A78 S79 K80 D108 W111V72-H76 WeakPolarHBondContact O-CB 3.32Å; V72-H76 PolarHBondContact O-N 3.24Å; K73-H76 WeakPolarHBondContact O-CB 3.38Å; K73-H76 PolarHBondContact O-N 2.93Å; H76-A78 VanDerWaalsContact C-N 3.31Å; H76-A78 PolarHBondContact O-N 3.01Å; H76-S79 WeakPolarHBondContact O-CB 3.38Å; H76-S79 PolarHBondContact O-N 3.49Å; H76-K80 WeakPolarHBondContact O-CB 3.48Å; H76-K80 PolarHBondContact O-N 3.5Å; H76-D108 IonicContact CD2-OD1 2.78Å; H76-D108 IonicContact CE1-OD1 2.73Å; H76-D108 IonicContact NE2-OD1 2.68Å; H76-D108 PolarHBondContact NE2-OD1 2.89Å; H76-W111 HydrophobicContact CB-CB 3.78Å; H76-W111 HydrophobicContact CB-CD2 3.79Å; H76-W111 HydrophobicContact CB-CE3 4.06Å; H76-W111 HydrophobicContact CB-CG 3.7Å; H76-W111 WeakPolarHBondContact CD2-CB 3.39Å; H76-W111 AromaticContact CD2-CD1 3.67Å; H76-W111 AromaticContact CD2-CG 3.61Å; H76-W111 AromaticContact CG-CG 3.73Å
77E98.5Very high98.1Very high82 Ų8264.4 Ų64.438%0.38336%0.355SS..Hα-helixtrans-59.7-37.2177.7-80.4-68.513400113.2K73 K81K73-E77 PolarHBondContact O-N 2.83Å; E77-K81 WeakPolarHBondContact O-CD 3.3Å; E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 3.32Å; E77-K81 IonicContact OE2-NZ 2.8Å; E77-K81 PolarHBondContact OE2-NZ 3.06Å
78A98.7Very high97.9Very high55 Ų5568.8 Ų68.846%0.45537%0.369SS..Hα-helixtrans-70-44174.500000112.4A74 M75 H76 K80 K81 L82A74-A78 WeakPolarHBondContact O-CB 3.35Å; A74-A78 PolarHBondContact O-N 2.9Å; A74-A78 VanDerWaalsContact O-N 3.07Å; M75-A78 PolarHBondContact O-N 3.46Å; H76-A78 VanDerWaalsContact C-N 3.31Å; H76-A78 PolarHBondContact O-N 3.01Å; A78-K80 VanDerWaalsContact C-N 3.31Å; A78-K80 PolarHBondContact O-N 2.64Å; A78-K81 PolarHBondContact O-N 3.41Å; A78-L82 WeakPolarHBondContact O-CB 3.36Å; A78-L82 PolarHBondContact O-N 3.07Å
79S98.4Very high97.8Very high26 Ų2670 Ų7018%0.18238%0.384CS..Hα-helixtrans-57.9-44.5174.9-1740000111.1M75 H76 L82 N83 N107 W111M75-S79 VanDerWaalsContact O-CB 3.29Å; M75-S79 WeakPolarHBondContact O-CB 3.47Å; M75-S79 PolarHBondContact O-N 3.34Å; H76-S79 WeakPolarHBondContact O-CB 3.38Å; H76-S79 PolarHBondContact O-N 3.49Å; S79-L82 PolarHBondContact O-N 2.93Å; S79-N83 PolarHBondContact O-N 2.83Å; S79-N83 PolarHBondContact O-ND2 3.29Å; S79-N107 PolarHBondContact OG-ND2 2.86Å; S79-N107 PolarHBondContact OG-OD1 3.18Å; S79-W111 PolarHBondContact OG-NE1 2.97Å
80K98.1Very high97.6Very high60 Ų6069.9 Ų69.926%0.26138%0.383SS..Hα-helixtrans-60.5-53.2177.9-170.2175.1-165.6137.50111.8H76 A78 L82 N83 E84 D108H76-K80 WeakPolarHBondContact O-CB 3.48Å; H76-K80 PolarHBondContact O-N 3.5Å; A78-K80 VanDerWaalsContact C-N 3.31Å; A78-K80 PolarHBondContact O-N 2.64Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.03Å; K80-N83 CarbonylContact O-C 3.47Å; K80-N83 WeakPolarHBondContact O-CB 3.46Å; K80-N83 PolarHBondContact O-N 3.28Å; K80-N83 VanDerWaalsContact O-N 3.08Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 2.96Å; K80-D108 WeakPolarHBondContact CD-OD1 3.38Å; K80-D108 WeakPolarHBondContact CE-OD1 3.21Å; K80-D108 IonicContact NZ-OD1 3.78Å; K80-D108 PolarHBondContact NZ-OD1 3.34Å; K80-D108 IonicContact NZ-OD2 3.89Å; K80-D108 PolarHBondContact NZ-OD2 2.81Å
81K98.4Very high97.3Very high108 Ų10871.8 Ų71.847%0.4738%0.382SS..Hα-helixtrans-63.5-32-179.9-73.6161.7-179.11380113.2E77 A78 C85E77-K81 WeakPolarHBondContact O-CD 3.3Å; E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 3.32Å; E77-K81 IonicContact OE2-NZ 2.8Å; E77-K81 PolarHBondContact OE2-NZ 3.06Å; A78-K81 PolarHBondContact O-N 3.41Å; K81-C85 PolarHBondContact O-N 3.2Å; K81-C85 PolarHBondContact O-SG 2.93Å
82L98.3Very high97Very high125 Ų12574 Ų7465%0.65440%0.395SS*.Hα-helixtrans-68.3-41.3172.7-17760.4000111.9A78 S79 K80 C85 L86A78-L82 WeakPolarHBondContact O-CB 3.36Å; A78-L82 PolarHBondContact O-N 3.07Å; S79-L82 PolarHBondContact O-N 2.93Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.03Å; L82-C85 PolarHBondContact O-N 3.45Å; L82-L86 PolarHBondContact O-N 3.38Å
83N96.9Very high96.6Very high24 Ų2479.9 Ų79.913%0.12843%0.426CS..Hα-helixtrans-67.4-39.2174.4-73.6-34.2000112.2S79 K80 L86 Q87 A104 N107S79-N83 PolarHBondContact O-N 2.83Å; S79-N83 PolarHBondContact O-ND2 3.29Å; K80-N83 CarbonylContact O-C 3.47Å; K80-N83 WeakPolarHBondContact O-CB 3.46Å; K80-N83 PolarHBondContact O-N 3.28Å; K80-N83 VanDerWaalsContact O-N 3.08Å; N83-L86 WeakPolarHBondContact O-CB 3.3Å; N83-L86 PolarHBondContact O-N 2.91Å; N83-Q87 WeakPolarHBondContact O-CG 3.48Å; N83-Q87 PolarHBondContact O-N 2.87Å; N83-A104 HydrophobicContact CB-CB 3.82Å; N83-N107 PolarHBondContact ND2-OD1 2.87Å; N83-N107 VanDerWaalsContact ND2-OD1 3.15Å
84E97.2Very high96.3Very high85 Ų8578 Ų7840%0.39742%0.416SS..Hα-helixtrans-59.1-45.9172.1-71.4167.2172.100110.8K80 L86 Q87 E88K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 2.96Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.36Å; E84-Q87 CarbonylContact O-C 3.55Å; E84-Q87 WeakPolarHBondContact O-CB 3.36Å; E84-Q87 PolarHBondContact O-N 3.15Å; E84-Q87 VanDerWaalsContact O-N 3.13Å; E84-E88 PolarHBondContact O-N 3.15Å
85C98Very high95.9Very high76 Ų7676.6 Ų76.651%0.51440%0.401SS..Hα-helixtrans-59.8-39.2174.3-70.30000112.7K81 L82 E88 V89K81-C85 PolarHBondContact O-N 3.2Å; K81-C85 PolarHBondContact O-SG 2.93Å; L82-C85 PolarHBondContact O-N 3.45Å; C85-E88 PolarHBondContact O-N 3.16Å; C85-V89 PolarHBondContact O-N 2.96Å
86L95.5Very high95.6Very high47 Ų4772.2 Ų72.225%0.24639%0.385CS..Hα-helixtrans-64.4-44173.9-179.859.5000111.1L82 N83 E84 E88 V89 Y90 L263L82-L86 PolarHBondContact O-N 3.38Å; N83-L86 WeakPolarHBondContact O-CB 3.3Å; N83-L86 PolarHBondContact O-N 2.91Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.36Å; L86-E88 VanDerWaalsContact C-N 3.3Å; L86-E88 PolarHBondContact O-N 2.89Å; L86-V89 HydrophobicContact CD1-CG2 4.41Å; L86-V89 WeakPolarHBondContact O-CG2 3.47Å; L86-V89 PolarHBondContact O-N 3.09Å; L86-Y90 HydrophobicContact CD1-CD2 4.24Å; L86-Y90 WeakPolarHBondContact O-CB 3.49Å; L86-Y90 PolarHBondContact O-N 3.1Å; L86-L263 HydrophobicContact CD2-CD1 4.01Å; L86-L263 HydrophobicContact CD2-CD2 4.34Å
87Q94.9Very high95.4Very high58 Ų5873.5 Ų73.527%0.27139%0.389SS..Hα-helixtrans-64.4-27.6176-72.8-179.93.800113.8N83 E84 R97 A104N83-Q87 WeakPolarHBondContact O-CG 3.48Å; N83-Q87 PolarHBondContact O-N 2.87Å; E84-Q87 CarbonylContact O-C 3.55Å; E84-Q87 WeakPolarHBondContact O-CB 3.36Å; E84-Q87 PolarHBondContact O-N 3.15Å; E84-Q87 VanDerWaalsContact O-N 3.13Å; Q87-R97 PolarHBondContact O-NH1 3.17Å; Q87-R97 PolarHBondContact O-NH2 2.88Å; Q87-A104 VanDerWaalsContact NE2-CB 3.29Å
88E96.2Very high95.2Very high173 Ų17375.1 Ų75.181%0.80840%0.4SS*.Hα-helixtrans-74.5-31.4174.4-75.1-164166.500113.2E84 C85 L86E84-E88 PolarHBondContact O-N 3.15Å; C85-E88 PolarHBondContact O-N 3.16Å; L86-E88 VanDerWaalsContact C-N 3.3Å; L86-E88 PolarHBondContact O-N 2.89Å
89V96Very high95.1Very high97 Ų9777.8 Ų77.859%0.58840%0.403SS*.Hα-helixtrans-95.6-15.8-177.1-56.90000114.4C85 L86 E91C85-V89 PolarHBondContact O-N 2.96Å; L86-V89 HydrophobicContact CD1-CG2 4.41Å; L86-V89 WeakPolarHBondContact O-CG2 3.47Å; L86-V89 PolarHBondContact O-N 3.09Å; V89-E91 PolarHBondContact O-N 3.12Å
90Y93.9Very high94.9Very high6 Ų676.9 Ų76.92%0.02440%0.398CS..SBendtrans-76.5104176-144.5-70.2000109.6L86 W94 P95 R97 A100 V266 L267 L270L86-Y90 HydrophobicContact CD1-CD2 4.24Å; L86-Y90 WeakPolarHBondContact O-CB 3.49Å; L86-Y90 PolarHBondContact O-N 3.1Å; Y90-W94 HydrophobicContact CD1-CB 3.78Å; Y90-W94 AromaticContact CD1-CE3 3.91Å; Y90-W94 HydrophobicContact CD1-CE3 3.91Å; Y90-W94 HydrophobicContact CE1-CB 3.53Å; Y90-W94 HydrophobicContact CE1-CE3 4.15Å; Y90-W94 HydrophobicContact CG-CE3 4.18Å; Y90-P95 WeakPolarHBondContact CE1-O 3.47Å; Y90-P95 PolarHBondContact OH-O 3.14Å; Y90-R97 HydrophobicContact CD1-CB 3.94Å; Y90-R97 HydrophobicContact CD1-CG 4.34Å; Y90-R97 HydrophobicContact CE1-CB 4.01Å; Y90-R97 PolarHBondContact O-NH1 2.73Å; Y90-A100 HydrophobicContact CE2-CB 4.43Å; Y90-V266 WeakPolarHBondContact OH-CG1 3.44Å; Y90-L267 HydrophobicContact CE2-CD2 4.06Å; Y90-L270 HydrophobicContact CE1-CD1 4.39Å; Y90-L270 HydrophobicContact CE2-CD2 4.08Å
91E92.7Very high94.8Very high98 Ų9875.6 Ų75.646%0.45839%0.393SS..  trans-63.1148-175.4-65.2-78-172.300111.6V89 D93 W94V89-E91 PolarHBondContact O-N 3.12Å; E91-D93 PolarHBondContact O-N 2.81Å; E91-D93 VanDerWaalsContact O-N 3.13Å; E91-W94 HydrophobicContact CB-CD2 4.1Å; E91-W94 HydrophobicContact CB-CG 4.12Å; E91-W94 HydrophobicContact CB-CZ2 4.37Å; E91-W94 HydrophobicContact CG-CZ2 4.01Å; E91-W94 WeakPolarHBondContact O-CB 3.22Å; E91-W94 PolarHBondContact O-N 3.46Å; E91-W94 VanDerWaalsContact O-N 3.14Å
92P91.9Very high94.8Very high109 Ų10976.8 Ų76.871%0.70840%0.398SS*.THydrogen-bonded Turntrans-68.2-11.8-172.2-22.134.5000115.9
93D90.1Very high94.8Very high136 Ų13671.6 Ų71.673%0.72737%0.371SS*.THydrogen-bonded Turntrans-97.60.5176.866.6-25.6000113.5E91E91-D93 PolarHBondContact O-N 2.81Å; E91-D93 VanDerWaalsContact O-N 3.13Å
94W92.4Very high94.8Very high78 Ų7871 Ų7130%0.29537%0.369SS..SBendtrans-81.1143179.3-71.410.4000112.5Y90 E91 R97 L270 H274Y90-W94 HydrophobicContact CD1-CB 3.78Å; Y90-W94 AromaticContact CD1-CE3 3.91Å; Y90-W94 HydrophobicContact CD1-CE3 3.91Å; Y90-W94 HydrophobicContact CE1-CB 3.53Å; Y90-W94 HydrophobicContact CE1-CE3 4.15Å; Y90-W94 HydrophobicContact CG-CE3 4.18Å; E91-W94 HydrophobicContact CB-CD2 4.1Å; E91-W94 HydrophobicContact CB-CG 4.12Å; E91-W94 HydrophobicContact CB-CZ2 4.37Å; E91-W94 HydrophobicContact CG-CZ2 4.01Å; E91-W94 WeakPolarHBondContact O-CB 3.22Å; E91-W94 PolarHBondContact O-N 3.46Å; E91-W94 VanDerWaalsContact O-N 3.14Å; W94-R97 WeakPolarHBondContact O-CB 3.18Å; W94-L270 HydrophobicContact CB-CD1 3.82Å; W94-L270 HydrophobicContact CD2-CD1 3.97Å; W94-L270 HydrophobicContact CE3-CD1 3.82Å; W94-L270 HydrophobicContact CE3-CD2 3.73Å; W94-L270 HydrophobicContact CE3-CG 4.39Å; W94-L270 HydrophobicContact CG-CD1 4.01Å; W94-L270 HydrophobicContact CZ3-CD2 3.99Å; W94-H274 AromaticContact CD1-CE1 3.86Å; W94-H274 AromaticContact CD1-NE2 3.94Å; W94-H274 AromaticContact CE2-CE1 3.98Å; W94-H274 AromaticContact NE1-CE1 3.66Å
95P91.1Very high94.8Very high32 Ų3272.8 Ų72.821%0.20838%0.378CS..THydrogen-bonded Turntrans-62.3143.5177.829.9-39000111.4Y90 R97 L270 Q273Y90-P95 WeakPolarHBondContact CE1-O 3.47Å; Y90-P95 PolarHBondContact OH-O 3.14Å; P95-R97 VanDerWaalsContact C-N 3.3Å; P95-R97 PolarHBondContact O-N 3.47Å; P95-L270 HydrophobicContact CG-CD1 3.84Å; P95-Q273 HydrophobicContact CG-CB 4.24Å; P95-Q273 HydrophobicContact CG-CG 4.25Å
96G92.7Very high94.9Very high20 Ų2072.3 Ų72.321%0.20637%0.37CS..THydrogen-bonded Turntrans77.88.2176.800000115.3D98 E99 A100G96-D98 PolarHBondContact O-N 2.97Å; G96-E99 WeakPolarHBondContact CA-OE2 3.02Å; G96-E99 PolarHBondContact O-N 2.76Å; G96-A100 WeakPolarHBondContact O-CB 3.38Å; G96-A100 PolarHBondContact O-N 3.37Å
97R93Very high95Very high49 Ų4970.4 Ų70.419%0.18536%0.36CS..Hα-helixtrans-58.1-44.3179.417564.6-143.1-125.55.1112.6Q87 Y90 W94 P95 A100 N101Q87-R97 PolarHBondContact O-NH1 3.17Å; Q87-R97 PolarHBondContact O-NH2 2.88Å; Y90-R97 HydrophobicContact CD1-CB 3.94Å; Y90-R97 HydrophobicContact CD1-CG 4.34Å; Y90-R97 HydrophobicContact CE1-CB 4.01Å; Y90-R97 PolarHBondContact O-NH1 2.73Å; W94-R97 WeakPolarHBondContact O-CB 3.18Å; P95-R97 VanDerWaalsContact C-N 3.3Å; P95-R97 PolarHBondContact O-N 3.47Å; R97-A100 PolarHBondContact O-N 2.89Å; R97-N101 VanDerWaalsContact CZ-OD1 3.29Å; R97-N101 PolarHBondContact NE-ND2 2.65Å; R97-N101 PolarHBondContact NE-OD1 2.99Å; R97-N101 PolarHBondContact NH2-OD1 3.35Å; R97-N101 PolarHBondContact O-N 3.26Å; R97-N101 PolarHBondContact O-ND2 3.1Å; R97-N101 PolarHBondContact O-OD1 3.42Å
98D94.8Very high95.2Very high116 Ų11669.3 Ų69.362%0.6236%0.356SS*.Hα-helixtrans-75.6-35-179-70.8-30.2000112.1G96 N101 K102G96-D98 PolarHBondContact O-N 2.97Å; D98-N101 PolarHBondContact O-N 3.49Å; D98-N101 PolarHBondContact OD1-ND2 3.02Å; D98-K102 VanDerWaalsContact O-CB 3.29Å; D98-K102 WeakPolarHBondContact O-CB 3.48Å; D98-K102 PolarHBondContact O-N 3.38Å
99E95.6Very high95.3Very high110 Ų11066.2 Ų66.251%0.51435%0.345SS..Hα-helixtrans-60.4-45.4168.9-71.968.2-154.800111.4G96 K102 I103 V266G96-E99 WeakPolarHBondContact CA-OE2 3.02Å; G96-E99 PolarHBondContact O-N 2.76Å; E99-K102 PolarHBondContact O-N 2.93Å; E99-I103 WeakPolarHBondContact O-CD1 3.35Å; E99-I103 WeakPolarHBondContact O-CG1 3.35Å; E99-I103 PolarHBondContact O-N 2.98Å; E99-V266 HydrophobicContact CB-CG2 3.8Å
100A95.8Very high95.4Very high8 Ų862.7 Ų62.77%0.06632%0.323CS..Hα-helixtrans-63.3-42.9176.400000112.3Y90 G96 R97 K102 I103 A104 V266Y90-A100 HydrophobicContact CE2-CB 4.43Å; G96-A100 WeakPolarHBondContact O-CB 3.38Å; G96-A100 PolarHBondContact O-N 3.37Å; R97-A100 PolarHBondContact O-N 2.89Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 3.07Å; A100-I103 PolarHBondContact O-N 3.08Å; A100-A104 PolarHBondContact O-N 2.86Å; A100-A104 VanDerWaalsContact O-N 3.17Å; A100-V266 HydrophobicContact CB-CG1 4.33Å
101N96Very high95.6Very high32 Ų3263.7 Ų63.717%0.17133%0.326CS..Hα-helixtrans-55.2-51.4172.4-67.3-25.1000110.4R97 D98 I103 A104 E105R97-N101 VanDerWaalsContact CZ-OD1 3.29Å; R97-N101 PolarHBondContact NE-ND2 2.65Å; R97-N101 PolarHBondContact NE-OD1 2.99Å; R97-N101 PolarHBondContact NH2-OD1 3.35Å; R97-N101 PolarHBondContact O-N 3.26Å; R97-N101 PolarHBondContact O-ND2 3.1Å; R97-N101 PolarHBondContact O-OD1 3.42Å; D98-N101 PolarHBondContact O-N 3.49Å; D98-N101 PolarHBondContact OD1-ND2 3.02Å; N101-I103 PolarHBondContact O-N 3.06Å; N101-A104 WeakPolarHBondContact O-CB 3.21Å; N101-A104 PolarHBondContact O-N 3.28Å; N101-E105 PolarHBondContact O-N 3.32Å
102K97.7Very high95.9Very high133 Ų13364 Ų6458%0.57833%0.329SS*.Hα-helixtrans-66.1-32.8-178.4-173.8173.7-177.8177.50113.4D98 E99 A100 N106D98-K102 VanDerWaalsContact O-CB 3.29Å; D98-K102 WeakPolarHBondContact O-CB 3.48Å; D98-K102 PolarHBondContact O-N 3.38Å; E99-K102 PolarHBondContact O-N 2.93Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 3.07Å; K102-N106 PolarHBondContact O-N 3.04Å; K102-N106 PolarHBondContact O-ND2 2.95Å
103I97.9Very high96.2Very high17 Ų1762 Ų629%0.08731%0.312CS..Hα-helixtrans-66.4-40.3174.4-69.7157.9000110.4E99 A100 N101 N106 N107 L259 N262 L263 V266E99-I103 WeakPolarHBondContact O-CD1 3.35Å; E99-I103 WeakPolarHBondContact O-CG1 3.35Å; E99-I103 PolarHBondContact O-N 2.98Å; A100-I103 PolarHBondContact O-N 3.08Å; N101-I103 PolarHBondContact O-N 3.06Å; I103-N106 PolarHBondContact O-N 3.29Å; I103-N107 WeakPolarHBondContact O-CB 3.35Å; I103-N107 PolarHBondContact O-N 3.15Å; I103-L259 HydrophobicContact CG2-CB 4.24Å; I103-N262 HydrophobicContact CD1-CB 3.77Å; I103-N262 HydrophobicContact CG1-CB 4.17Å; I103-L263 HydrophobicContact CD1-CB 4.46Å; I103-L263 HydrophobicContact CG2-CB 4.23Å; I103-V266 HydrophobicContact CD1-CG2 4.15Å
104A97.8Very high96.6Very high10 Ų1055.8 Ų55.88%0.08328%0.279CS..Hα-helixtrans-66.9-39.7175.200000112.9N83 Q87 A100 N101 N106 N107 D108N83-A104 HydrophobicContact CB-CB 3.82Å; Q87-A104 VanDerWaalsContact NE2-CB 3.29Å; A100-A104 PolarHBondContact O-N 2.86Å; A100-A104 VanDerWaalsContact O-N 3.17Å; N101-A104 WeakPolarHBondContact O-CB 3.21Å; N101-A104 PolarHBondContact O-N 3.28Å; A104-N106 PolarHBondContact O-N 3.49Å; A104-N107 WeakPolarHBondContact O-CB 3.26Å; A104-N107 PolarHBondContact O-N 3.15Å; A104-D108 PolarHBondContact O-N 2.94Å
105E97.9Very high96.9Very high123 Ų12353.4 Ų53.458%0.57527%0.271SS*.Hα-helixtrans-59.8-44172-70.1175171.500111.8N101 N107 D108 L109N101-E105 PolarHBondContact O-N 3.32Å; E105-N107 VanDerWaalsContact C-N 3.33Å; E105-N107 PolarHBondContact O-N 3.37Å; E105-D108 PolarHBondContact O-N 3.19Å; E105-L109 WeakPolarHBondContact O-CG 3.39Å; E105-L109 PolarHBondContact O-N 3.38Å
106N98.3Very high97.3Very high67 Ų6756.2 Ų56.236%0.35828%0.281SS..Hα-helixtrans-67.8-31.1175.6-71.5-57.6000112.8K102 I103 A104 L110 L259K102-N106 PolarHBondContact O-N 3.04Å; K102-N106 PolarHBondContact O-ND2 2.95Å; I103-N106 PolarHBondContact O-N 3.29Å; A104-N106 PolarHBondContact O-N 3.49Å; N106-L110 WeakPolarHBondContact O-CB 3.46Å; N106-L110 PolarHBondContact O-N 2.89Å; N106-L259 HydrophobicContact CB-CD1 4.2Å; N106-L259 HydrophobicContact CB-CD2 3.73Å
107N98.3Very high97.5Very high7 Ų758.3 Ų58.34%0.03728%0.284CS..Hα-helixtrans-65-45.5173.7-180-95.5000110.9S79 N83 I103 A104 E105 L110 W111 M256 L259S79-N107 PolarHBondContact OG-ND2 2.86Å; S79-N107 PolarHBondContact OG-OD1 3.18Å; N83-N107 PolarHBondContact ND2-OD1 2.87Å; N83-N107 VanDerWaalsContact ND2-OD1 3.15Å; I103-N107 WeakPolarHBondContact O-CB 3.35Å; I103-N107 PolarHBondContact O-N 3.15Å; A104-N107 WeakPolarHBondContact O-CB 3.26Å; A104-N107 PolarHBondContact O-N 3.15Å; E105-N107 VanDerWaalsContact C-N 3.33Å; E105-N107 PolarHBondContact O-N 3.37Å; N107-L110 PolarHBondContact O-N 3.45Å; N107-W111 PolarHBondContact O-N 3.22Å; N107-M256 WeakPolarHBondContact ND2-CE 3.36Å; N107-M256 PolarHBondContact ND2-SD 3.37Å; N107-L259 HydrophobicContact CB-CD1 4.24Å
108D98.4Very high97.8Very high35 Ų3556 Ų5619%0.18728%0.276CS..Hα-helixtrans-59.6-49.5176.2-159.642.8000111.2H76 K80 A104 E105 L110 W111 M112H76-D108 IonicContact CD2-OD1 2.78Å; H76-D108 IonicContact CE1-OD1 2.73Å; H76-D108 IonicContact NE2-OD1 2.68Å; H76-D108 PolarHBondContact NE2-OD1 2.89Å; K80-D108 WeakPolarHBondContact CD-OD1 3.38Å; K80-D108 WeakPolarHBondContact CE-OD1 3.21Å; K80-D108 IonicContact NZ-OD1 3.78Å; K80-D108 PolarHBondContact NZ-OD1 3.34Å; K80-D108 IonicContact NZ-OD2 3.89Å; K80-D108 PolarHBondContact NZ-OD2 2.81Å; A104-D108 PolarHBondContact O-N 2.94Å; E105-D108 PolarHBondContact O-N 3.19Å; D108-L110 PolarHBondContact O-N 3.35Å; D108-W111 PolarHBondContact O-N 2.94Å; D108-M112 WeakPolarHBondContact O-CG 3.5Å; D108-M112 PolarHBondContact O-N 3.14Å; D108-M112 VanDerWaalsContact O-N 3.07Å
109L98.5Very high97.9Very high108 Ų10852.3 Ų52.357%0.56526%0.257SS*.Hα-helixtrans-62.1-40.9177.2-70.4171.3000113E105 M112 D113E105-L109 WeakPolarHBondContact O-CG 3.39Å; E105-L109 PolarHBondContact O-N 3.38Å; L109-M112 PolarHBondContact O-N 3.21Å; L109-D113 WeakPolarHBondContact O-CB 3.28Å; L109-D113 PolarHBondContact O-N 3.39Å
110L98.6Very high98Very high23 Ų2350.9 Ų50.912%0.1225%0.254CS..Hα-helixtrans-67.9-39.6-179.7179.160.4000112.1N106 N107 D108 Y114 F252 E255 M256 L259N106-L110 WeakPolarHBondContact O-CB 3.46Å; N106-L110 PolarHBondContact O-N 2.89Å; N107-L110 PolarHBondContact O-N 3.45Å; D108-L110 PolarHBondContact O-N 3.35Å; L110-Y114 VanDerWaalsContact O-CB 3.26Å; L110-Y114 WeakPolarHBondContact O-CB 3.15Å; L110-Y114 PolarHBondContact O-N 2.83Å; L110-F252 HydrophobicContact CD1-CD2 4.15Å; L110-F252 HydrophobicContact CD2-CD2 4.35Å; L110-F252 HydrophobicContact CD2-CE2 4.4Å; L110-F252 HydrophobicContact CG-CD2 3.84Å; L110-F252 HydrophobicContact CG-CE2 3.98Å; L110-E255 HydrophobicContact CD1-CB 4.1Å; L110-E255 HydrophobicContact CD2-CB 3.86Å; L110-M256 HydrophobicContact CD2-CB 4.02Å; L110-M256 HydrophobicContact CD2-CE 3.89Å; L110-M256 HydrophobicContact CD2-SD 4.4Å; L110-M256 HydrophobicContact CG-CE 4.37Å; L110-L259 HydrophobicContact CB-CD1 4.47Å; L110-L259 HydrophobicContact CD2-CD1 3.85Å
111W98.8Very high98Very high26 Ų2654.5 Ų54.510%0.09827%0.269CS..Hα-helixtrans-63.6-44.3172.5-82.7117.7000112.1V72 M75 H76 S79 N107 D108 Y114 H115 F252 M256V72-W111 HydrophobicContact CG1-CE3 4.08Å; V72-W111 HydrophobicContact CG1-CZ3 4.06Å; M75-W111 HydrophobicContact CB-CH2 3.83Å; M75-W111 HydrophobicContact CB-CZ2 4.31Å; M75-W111 HydrophobicContact CB-CZ3 4.3Å; M75-W111 HydrophobicContact CG-CH2 3.37Å; M75-W111 HydrophobicContact CG-CZ2 3.63Å; M75-W111 HydrophobicContact CG-CZ3 4.3Å; H76-W111 HydrophobicContact CB-CB 3.78Å; H76-W111 HydrophobicContact CB-CD2 3.79Å; H76-W111 HydrophobicContact CB-CE3 4.06Å; H76-W111 HydrophobicContact CB-CG 3.7Å; H76-W111 WeakPolarHBondContact CD2-CB 3.39Å; H76-W111 AromaticContact CD2-CD1 3.67Å; H76-W111 AromaticContact CD2-CG 3.61Å; H76-W111 AromaticContact CG-CG 3.73Å; S79-W111 PolarHBondContact OG-NE1 2.97Å; N107-W111 PolarHBondContact O-N 3.22Å; D108-W111 PolarHBondContact O-N 2.94Å; W111-Y114 HydrophobicContact CE3-CD1 4.44Å; W111-Y114 PolarHBondContact O-N 3.44Å; W111-H115 WeakPolarHBondContact O-CB 3.4Å; W111-H115 PolarHBondContact O-N 3.28Å; W111-F252 AromaticContact CD2-CE2 3.9Å; W111-F252 HydrophobicContact CD2-CE2 3.9Å; W111-F252 AromaticContact CD2-CZ 3.72Å; W111-F252 HydrophobicContact CD2-CZ 3.72Å; W111-F252 AromaticContact CE2-CZ 3.83Å; W111-F252 HydrophobicContact CE3-CE1 4.41Å; W111-F252 AromaticContact CE3-CE2 3.79Å; W111-F252 HydrophobicContact CE3-CE2 3.79Å; W111-F252 AromaticContact CE3-CZ 3.49Å; W111-F252 HydrophobicContact CE3-CZ 3.49Å; W111-F252 VanDerWaalsContact CE3-CZ 3.49Å; W111-F252 HydrophobicContact CG-CE2 4.39Å; W111-F252 AromaticContact CH2-CE1 3.96Å; W111-F252 HydrophobicContact CH2-CE1 3.96Å; W111-F252 AromaticContact CH2-CZ 3.51Å; W111-F252 HydrophobicContact CH2-CZ 3.51Å; W111-F252 AromaticContact CZ2-CZ 3.75Å; W111-F252 HydrophobicContact CZ2-CZ 3.75Å; W111-F252 AromaticContact CZ3-CE1 3.91Å; W111-F252 HydrophobicContact CZ3-CE1 3.91Å; W111-F252 HydrophobicContact CZ3-CE2 4.14Å; W111-F252 AromaticContact CZ3-CZ 3.38Å; W111-F252 HydrophobicContact CZ3-CZ 3.38Å; W111-M256 HydrophobicContact CD2-CE 4.4Å; W111-M256 HydrophobicContact CG-CE 4.45Å; W111-M256 HydrophobicContact CZ2-CE 4.39Å
112M98.4Very high97.9Very high105 Ų10553 Ų5352%0.51726%0.261SS..Hα-helixtrans-62.9-47.1178.5-71.4-17872.400112.3D108 L109 Q116D108-M112 WeakPolarHBondContact O-CG 3.5Å; D108-M112 PolarHBondContact O-N 3.14Å; D108-M112 VanDerWaalsContact O-N 3.07Å; L109-M112 PolarHBondContact O-N 3.21Å; M112-Q116 VanDerWaalsContact O-CB 3.28Å; M112-Q116 WeakPolarHBondContact O-CB 3.04Å; M112-Q116 PolarHBondContact O-N 3.15Å
113D98.5Very high97.9Very high67 Ų6747.6 Ų47.636%0.35824%0.238SC..Hα-helixtrans-60.5-44.4177.1173.680.4000112L109 Q116 K117L109-D113 WeakPolarHBondContact O-CB 3.28Å; L109-D113 PolarHBondContact O-N 3.39Å; D113-Q116 PolarHBondContact O-N 2.66Å; D113-K117 WeakPolarHBondContact O-CB 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.31Å; D113-K117 WeakPolarHBondContact O-CG 2.99Å; D113-K117 PolarHBondContact O-N 3.32Å; D113-K117 WeakPolarHBondContact OD1-CE 3.4Å; D113-K117 IonicContact OD1-NZ 2.7Å; D113-K117 PolarHBondContact OD1-NZ 3.47Å; D113-K117 WeakPolarHBondContact OD2-CE 3.33Å; D113-K117 IonicContact OD2-NZ 2.66Å; D113-K117 PolarHBondContact OD2-NZ 3.26Å
114Y98.8Very high97.8Very high6 Ų651.6 Ų51.62%0.02426%0.259CS..Hα-helixtrans-64.7-49.4178.3174.5-126000112.6Y68 V72 L110 W111 Q116 K117 L118 L248 E249 F252Y68-Y114 PolarHBondContact OH-OH 3.28Å; V72-Y114 HydrophobicContact CG1-CD1 4.07Å; V72-Y114 HydrophobicContact CG1-CE1 4.16Å; V72-Y114 HydrophobicContact CG2-CE1 4.17Å; L110-Y114 VanDerWaalsContact O-CB 3.26Å; L110-Y114 WeakPolarHBondContact O-CB 3.15Å; L110-Y114 PolarHBondContact O-N 2.83Å; W111-Y114 HydrophobicContact CE3-CD1 4.44Å; W111-Y114 PolarHBondContact O-N 3.44Å; Y114-Q116 VanDerWaalsContact C-N 3.34Å; Y114-Q116 PolarHBondContact O-N 3.08Å; Y114-K117 PolarHBondContact O-N 2.63Å; Y114-L118 HydrophobicContact CD1-CD1 4.34Å; Y114-L118 HydrophobicContact CD2-CD1 4.28Å; Y114-L118 HydrophobicContact CD2-CG 4.3Å; Y114-L118 HydrophobicContact CE1-CD1 3.89Å; Y114-L118 HydrophobicContact CE2-CD1 3.81Å; Y114-L118 HydrophobicContact CE2-CD2 4.24Å; Y114-L118 HydrophobicContact CE2-CG 3.95Å; Y114-L118 WeakPolarHBondContact O-CG 3.39Å; Y114-L118 PolarHBondContact O-N 2.84Å; Y114-L248 HydrophobicContact CD2-CB 4.18Å; Y114-L248 HydrophobicContact CE2-CB 3.91Å; Y114-E249 HydrophobicContact CE2-CB 4.43Å; Y114-F252 HydrophobicContact CD1-CB 4.16Å; Y114-F252 AromaticContact CD1-CD1 3.89Å; Y114-F252 HydrophobicContact CD1-CD1 3.89Å; Y114-F252 AromaticContact CD1-CD2 3.6Å; Y114-F252 HydrophobicContact CD1-CD2 3.6Å; Y114-F252 HydrophobicContact CD1-CE1 4.19Å; Y114-F252 AromaticContact CD1-CE2 3.92Å; Y114-F252 HydrophobicContact CD1-CE2 3.92Å; Y114-F252 AromaticContact CD1-CG 3.58Å; Y114-F252 HydrophobicContact CD1-CG 3.58Å; Y114-F252 HydrophobicContact CD1-CZ 4.21Å; Y114-F252 HydrophobicContact CD2-CB 3.58Å; Y114-F252 HydrophobicContact CD2-CD2 4.31Å; Y114-F252 AromaticContact CD2-CG 3.96Å; Y114-F252 HydrophobicContact CD2-CG 3.96Å; Y114-F252 HydrophobicContact CE1-CB 4.38Å; Y114-F252 AromaticContact CE1-CD1 3.79Å; Y114-F252 HydrophobicContact CE1-CD1 3.79Å; Y114-F252 HydrophobicContact CE1-CD2 4.35Å; Y114-F252 HydrophobicContact CE1-CE1 4.17Å; Y114-F252 AromaticContact CE1-CG 3.9Å; Y114-F252 HydrophobicContact CE1-CG 3.9Å; Y114-F252 HydrophobicContact CE2-CB 3.85Å; Y114-F252 HydrophobicContact CE2-CG 4.27Å; Y114-F252 HydrophobicContact CG-CB 3.74Å; Y114-F252 HydrophobicContact CG-CD1 4.34Å; Y114-F252 AromaticContact CG-CD2 3.56Å; Y114-F252 HydrophobicContact CG-CD2 3.56Å; Y114-F252 HydrophobicContact CG-CE2 4.27Å; Y114-F252 AromaticContact CG-CG 3.6Å; Y114-F252 HydrophobicContact CG-CG 3.6Å
115H98.6Very high97.6Very high28 Ų2853.9 Ų53.913%0.1327%0.272CS..Hα-helixtrans-58.4-46175.6172.9-78.9000111.4V72 K73 W111 K117 L118 V119V72-H115 HydrophobicContact CG1-CB 4.09Å; K73-H115 WeakPolarHBondContact CE-CE1 3.49Å; K73-H115 WeakPolarHBondContact CE-NE2 3.38Å; W111-H115 WeakPolarHBondContact O-CB 3.4Å; W111-H115 PolarHBondContact O-N 3.28Å; H115-K117 PolarHBondContact O-N 2.93Å; H115-L118 PolarHBondContact O-N 2.96Å; H115-V119 PolarHBondContact O-N 3.21Å; H115-V119 VanDerWaalsContact O-N 3.11Å
116Q98.4Very high97.5Very high90 Ų9048 Ų4842%0.42125%0.245SC..Hα-helixtrans-63.1-42.5-178.9-172.957.441.400111.6M112 D113 Y114 L118 V119 D120M112-Q116 VanDerWaalsContact O-CB 3.28Å; M112-Q116 WeakPolarHBondContact O-CB 3.04Å; M112-Q116 PolarHBondContact O-N 3.15Å; D113-Q116 PolarHBondContact O-N 2.66Å; Y114-Q116 VanDerWaalsContact C-N 3.34Å; Y114-Q116 PolarHBondContact O-N 3.08Å; Q116-L118 PolarHBondContact O-N 3.44Å; Q116-V119 WeakPolarHBondContact O-CB 3.48Å; Q116-V119 PolarHBondContact O-N 3.25Å; Q116-D120 WeakPolarHBondContact CG-OD2 3.49Å; Q116-D120 PolarHBondContact NE2-OD1 3.15Å; Q116-D120 PolarHBondContact NE2-OD2 3.11Å; Q116-D120 PolarHBondContact O-N 2.91Å
117K98.3Very high97.5Very high64 Ų6447.5 Ų47.528%0.27824%0.242SC..Hα-helixtrans-64.7-36.3175.9-73.8169.6179.7162.90113.2D113 Y114 H115 V119 D120 Q121 L248D113-K117 WeakPolarHBondContact O-CB 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.31Å; D113-K117 WeakPolarHBondContact O-CG 2.99Å; D113-K117 PolarHBondContact O-N 3.32Å; D113-K117 WeakPolarHBondContact OD1-CE 3.4Å; D113-K117 IonicContact OD1-NZ 2.7Å; D113-K117 PolarHBondContact OD1-NZ 3.47Å; D113-K117 WeakPolarHBondContact OD2-CE 3.33Å; D113-K117 IonicContact OD2-NZ 2.66Å; D113-K117 PolarHBondContact OD2-NZ 3.26Å; Y114-K117 PolarHBondContact O-N 2.63Å; H115-K117 PolarHBondContact O-N 2.93Å; K117-V119 VanDerWaalsContact C-N 3.32Å; K117-V119 PolarHBondContact O-N 3.12Å; K117-D120 PolarHBondContact O-N 2.89Å; K117-Q121 VanDerWaalsContact O-CB 3.23Å; K117-Q121 WeakPolarHBondContact O-CB 3.43Å; K117-Q121 WeakPolarHBondContact O-CG 3.5Å; K117-Q121 PolarHBondContact O-N 3.41Å; K117-L248 HydrophobicContact CB-CD1 3.82Å; K117-L248 HydrophobicContact CB-CD2 3.62Å; K117-L248 HydrophobicContact CB-CG 4.37Å; K117-L248 HydrophobicContact CD-CD2 3.79Å; K117-L248 HydrophobicContact CG-CD2 4.22Å
118L98.3Very high97.4Very high0 Ų051.6 Ų51.60%027%0.267CS..Iπ-helixtrans-62.9-39172.9-73.4170000111.7Y68 L69 V72 Y114 H115 Q116 A122 L123 I245 L248Y68-L118 HydrophobicContact CD1-CD1 4.36Å; Y68-L118 HydrophobicContact CE1-CD1 3.79Å; Y68-L118 HydrophobicContact CE1-CD2 4.42Å; L69-L118 HydrophobicContact CD2-CB 3.55Å; L69-L118 HydrophobicContact CD2-CD1 4.14Å; V72-L118 HydrophobicContact CG2-CD1 4.32Å; Y114-L118 HydrophobicContact CD1-CD1 4.34Å; Y114-L118 HydrophobicContact CD2-CD1 4.28Å; Y114-L118 HydrophobicContact CD2-CG 4.3Å; Y114-L118 HydrophobicContact CE1-CD1 3.89Å; Y114-L118 HydrophobicContact CE2-CD1 3.81Å; Y114-L118 HydrophobicContact CE2-CD2 4.24Å; Y114-L118 HydrophobicContact CE2-CG 3.95Å; Y114-L118 WeakPolarHBondContact O-CG 3.39Å; Y114-L118 PolarHBondContact O-N 2.84Å; H115-L118 PolarHBondContact O-N 2.96Å; Q116-L118 PolarHBondContact O-N 3.44Å; L118-A122 WeakPolarHBondContact O-CB 3.25Å; L118-A122 PolarHBondContact O-N 2.93Å; L118-A122 VanDerWaalsContact O-N 3.11Å; L118-L123 PolarHBondContact O-N 3.39Å; L118-I245 HydrophobicContact CD2-CB 4.48Å; L118-I245 HydrophobicContact CD2-CG1 4.22Å; L118-I245 HydrophobicContact CD2-CG2 4.28Å; L118-L248 HydrophobicContact CD2-CB 4.44Å; L118-L248 HydrophobicContact CD2-CD1 4.05Å; L118-L248 HydrophobicContact CG-CD1 4.35Å
119V98.2Very high97.4Very high39 Ų3950.4 Ų50.424%0.23626%0.261CS..Iπ-helixtrans-63.7-53.7173.4173.20000110.9L69 H115 Q116 K117 Q121 L123 L124L69-V119 HydrophobicContact CD1-CG2 4.11Å; L69-V119 HydrophobicContact CD2-CG2 3.92Å; H115-V119 PolarHBondContact O-N 3.21Å; H115-V119 VanDerWaalsContact O-N 3.11Å; Q116-V119 WeakPolarHBondContact O-CB 3.48Å; Q116-V119 PolarHBondContact O-N 3.25Å; K117-V119 VanDerWaalsContact C-N 3.32Å; K117-V119 PolarHBondContact O-N 3.12Å; V119-Q121 PolarHBondContact O-N 3.46Å; V119-L123 PolarHBondContact O-N 3.37Å; V119-L124 PolarHBondContact O-N 2.86Å
120D96.9Very high97.4Very high81 Ų8146 Ų4643%0.43324%0.238SC..Iπ-helixtrans-73.9-28.8-170.7-65.6-27.9000113.9Q116 K117Q116-D120 WeakPolarHBondContact CG-OD2 3.49Å; Q116-D120 PolarHBondContact NE2-OD1 3.15Å; Q116-D120 PolarHBondContact NE2-OD2 3.11Å; Q116-D120 PolarHBondContact O-N 2.91Å; K117-D120 PolarHBondContact O-N 2.89Å
121Q94.6Very high97.3Very high83 Ų8347.6 Ų47.639%0.38826%0.259SS..Iπ-helixtrans-104.6-36.5-174.4-55.8-17719.100113.3K117 V119 T125 L248K117-Q121 VanDerWaalsContact O-CB 3.23Å; K117-Q121 WeakPolarHBondContact O-CB 3.43Å; K117-Q121 WeakPolarHBondContact O-CG 3.5Å; K117-Q121 PolarHBondContact O-N 3.41Å; V119-Q121 PolarHBondContact O-N 3.46Å; Q121-T125 WeakPolarHBondContact O-CB 3.48Å; Q121-T125 PolarHBondContact O-OG1 2.7Å; Q121-L248 HydrophobicContact CB-CD1 4.35Å
122A95.5Very high97.2Very high0 Ų050.7 Ų50.70%028%0.275CS..Iπ-helixtrans-99.8-53.1-179.700000112.4L65 L118 T125 M126 I245L65-A122 HydrophobicContact CD2-CB 4.08Å; L118-A122 WeakPolarHBondContact O-CB 3.25Å; L118-A122 PolarHBondContact O-N 2.93Å; L118-A122 VanDerWaalsContact O-N 3.11Å; A122-T125 PolarHBondContact O-N 3.3Å; A122-M126 WeakPolarHBondContact O-CB 3.33Å; A122-M126 PolarHBondContact O-N 2.74Å; A122-I245 HydrophobicContact CB-CD1 4.18Å; A122-I245 HydrophobicContact CB-CG1 3.69Å
123L96.9Very high97.2Very high20 Ų2045.8 Ų45.811%0.10525%0.25CS..Iπ-helixtrans-71-41.6-175.4-174.264.8000112.6Q62 L65 R66 L69 L118 V119 T125 M126 D127Q62-L123 HydrophobicContact CG-CD1 4.43Å; L65-L123 HydrophobicContact CD2-CB 4.2Å; L65-L123 HydrophobicContact CD2-CD1 4.11Å; L65-L123 HydrophobicContact CG-CD1 4.41Å; R66-L123 HydrophobicContact CG-CD1 3.83Å; R66-L123 HydrophobicContact CG-CD2 4.15Å; L69-L123 HydrophobicContact CD1-CB 4.15Å; L69-L123 HydrophobicContact CD1-CD2 3.75Å; L69-L123 HydrophobicContact CD1-CG 4.43Å; L118-L123 PolarHBondContact O-N 3.39Å; V119-L123 PolarHBondContact O-N 3.37Å; L123-T125 VanDerWaalsContact C-N 3.27Å; L123-T125 PolarHBondContact O-N 2.8Å; L123-M126 VanDerWaalsContact O-CB 3.32Å; L123-M126 WeakPolarHBondContact O-CB 3.47Å; L123-M126 PolarHBondContact O-N 3.03Å; L123-D127 WeakPolarHBondContact O-CB 3.27Å; L123-D127 PolarHBondContact O-N 3.38Å
124L96.1Very high97.2Very high101 Ų10146.7 Ų46.753%0.52926%0.26SS..Hα-helixtrans-62.2-36.8175.8-17859.9000112V119 D127 T128V119-L124 PolarHBondContact O-N 2.86Å; L124-D127 PolarHBondContact O-N 3.33Å; L124-T128 VanDerWaalsContact O-CB 3.3Å; L124-T128 WeakPolarHBondContact O-CB 3.29Å; L124-T128 PolarHBondContact O-N 2.84Å; L124-T128 PolarHBondContact O-OG1 2.7Å
125T94.1Very high97.1Very high59 Ų5950.9 Ų50.936%0.36228%0.283SS..Hα-helixtrans-66-43.2174.4-58.30000111.5Q121 A122 L123 Y129 F237Q121-T125 WeakPolarHBondContact O-CB 3.48Å; Q121-T125 PolarHBondContact O-OG1 2.7Å; A122-T125 PolarHBondContact O-N 3.3Å; L123-T125 VanDerWaalsContact C-N 3.27Å; L123-T125 PolarHBondContact O-N 2.8Å; T125-Y129 WeakPolarHBondContact O-CB 3.46Å; T125-Y129 PolarHBondContact O-N 3.15Å; T125-F237 HydrophobicContact CG2-CE2 4.29Å
126M96Very high97Very high0 Ų050.2 Ų50.20%028%0.28CS..Hα-helixtrans-57.7-48.2173.2-175.772.250.900112L61 Q62 L65 A122 L123 Y129 L130 F237 T241L61-M126 HydrophobicContact CB-CE 4.36Å; L61-M126 HydrophobicContact CB-SD 4.47Å; L61-M126 HydrophobicContact CD2-CE 3.73Å; L61-M126 HydrophobicContact CG-CE 3.63Å; L61-M126 HydrophobicContact CG-SD 4.37Å; Q62-M126 HydrophobicContact CB-CG 3.55Å; Q62-M126 HydrophobicContact CB-SD 3.87Å; Q62-M126 HydrophobicContact CG-CG 3.62Å; L65-M126 HydrophobicContact CD2-CB 4.47Å; L65-M126 HydrophobicContact CD2-CE 4.29Å; A122-M126 WeakPolarHBondContact O-CB 3.33Å; A122-M126 PolarHBondContact O-N 2.74Å; L123-M126 VanDerWaalsContact O-CB 3.32Å; L123-M126 WeakPolarHBondContact O-CB 3.47Å; L123-M126 PolarHBondContact O-N 3.03Å; M126-Y129 PolarHBondContact O-N 3.19Å; M126-L130 HydrophobicContact CG-CD1 4.15Å; M126-L130 WeakPolarHBondContact O-CB 3.46Å; M126-L130 WeakPolarHBondContact O-CG 3.46Å; M126-L130 PolarHBondContact O-N 3.05Å; M126-L130 HydrophobicContact SD-CD1 4.21Å; M126-F237 HydrophobicContact CB-CZ 4.45Å; M126-F237 HydrophobicContact CE-CE1 4.18Å; M126-F237 HydrophobicContact CE-CZ 3.67Å; M126-F237 HydrophobicContact SD-CE1 4.11Å; M126-F237 HydrophobicContact SD-CZ 3.59Å; M126-F237 VanDerWaalsContact SD-CZ 3.59Å; M126-T241 HydrophobicContact CE-CG2 3.75Å
127D97.1Very high97Very high55 Ų5551.3 Ų51.329%0.29428%0.284SS..Hα-helixtrans-71.6-35.9-176.3-69.7-1.5000111.4Q62 R66 L123 L124 G131Q62-D127 PolarHBondContact NE2-OD1 2.95Å; R66-D127 IonicContact CZ-OD1 3.61Å; R66-D127 IonicContact NH2-OD1 2.75Å; R66-D127 PolarHBondContact NH2-OD1 3.19Å; R66-D127 IonicContact NH2-OD2 2.78Å; R66-D127 PolarHBondContact NH2-OD2 2.84Å; L123-D127 WeakPolarHBondContact O-CB 3.27Å; L123-D127 PolarHBondContact O-N 3.38Å; L124-D127 PolarHBondContact O-N 3.33Å; D127-G131 PolarHBondContact O-N 3.29Å
128T97Very high97Very high93 Ų9351.4 Ų51.457%0.57129%0.292SS*.Hα-helixtrans-65.7-37.9173.4-57.70000112.4L124L124-T128 VanDerWaalsContact O-CB 3.3Å; L124-T128 WeakPolarHBondContact O-CB 3.29Å; L124-T128 PolarHBondContact O-N 2.84Å; L124-T128 PolarHBondContact O-OG1 2.7Å
129Y97.6Very high96.9Very high11 Ų1153.4 Ų53.44%0.04330%0.299CS..Hα-helixtrans-69.7-48.6175.7170.6-102000111.7Q54 T125 M126 G131 Q132 F133 R234 F237Q54-Y129 PolarHBondContact NE2-OH 3.44Å; T125-Y129 WeakPolarHBondContact O-CB 3.46Å; T125-Y129 PolarHBondContact O-N 3.15Å; M126-Y129 PolarHBondContact O-N 3.19Å; Y129-G131 VanDerWaalsContact C-N 3.25Å; Y129-G131 PolarHBondContact O-N 3.27Å; Y129-Q132 WeakPolarHBondContact O-CB 3.48Å; Y129-Q132 PolarHBondContact O-N 2.86Å; Y129-F133 HydrophobicContact CD1-CE2 4.21Å; Y129-F133 AromaticContact CE1-CE2 3.93Å; Y129-F133 HydrophobicContact CE1-CE2 3.93Å; Y129-F133 HydrophobicContact CE1-CZ 4.19Å; Y129-R234 WeakPolarHBondContact OH-CA 3.43Å; Y129-R234 WeakPolarHBondContact OH-CB 3.26Å; Y129-F237 VanDerWaalsContact CB-CE2 3.4Å; Y129-F237 AromaticContact CD1-CD1 3.64Å; Y129-F237 HydrophobicContact CD1-CD1 3.64Å; Y129-F237 AromaticContact CD1-CD2 3.87Å; Y129-F237 HydrophobicContact CD1-CD2 3.87Å; Y129-F237 AromaticContact CD1-CE1 3.44Å; Y129-F237 HydrophobicContact CD1-CE1 3.44Å; Y129-F237 VanDerWaalsContact CD1-CE1 3.44Å; Y129-F237 AromaticContact CD1-CE2 3.68Å; Y129-F237 HydrophobicContact CD1-CE2 3.68Å; Y129-F237 AromaticContact CD1-CG 3.85Å; Y129-F237 HydrophobicContact CD1-CG 3.85Å; Y129-F237 AromaticContact CD1-CZ 3.46Å; Y129-F237 HydrophobicContact CD1-CZ 3.46Å; Y129-F237 VanDerWaalsContact CD1-CZ 3.46Å; Y129-F237 HydrophobicContact CD2-CB 4.03Å; Y129-F237 HydrophobicContact CD2-CD1 4.23Å; Y129-F237 AromaticContact CD2-CD2 3.68Å; Y129-F237 HydrophobicContact CD2-CD2 3.68Å; Y129-F237 HydrophobicContact CD2-CE2 4.25Å; Y129-F237 AromaticContact CD2-CG 3.67Å; Y129-F237 HydrophobicContact CD2-CG 3.67Å; Y129-F237 AromaticContact CE1-CD1 3.38Å; Y129-F237 HydrophobicContact CE1-CD1 3.38Å; Y129-F237 HydrophobicContact CE1-CD2 4.37Å; Y129-F237 AromaticContact CE1-CE1 3.46Å; Y129-F237 HydrophobicContact CE1-CE1 3.46Å; Y129-F237 VanDerWaalsContact CE1-CE1 3.46Å; Y129-F237 HydrophobicContact CE1-CE2 4.43Å; Y129-F237 AromaticContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CZ 4Å; Y129-F237 HydrophobicContact CE2-CB 3.78Å; Y129-F237 AromaticContact CE2-CD1 4Å; Y129-F237 HydrophobicContact CE2-CD1 4Å; Y129-F237 HydrophobicContact CE2-CD2 4.2Å; Y129-F237 AromaticContact CE2-CG 3.69Å; Y129-F237 HydrophobicContact CE2-CG 3.69Å; Y129-F237 HydrophobicContact CG-CD1 4.04Å; Y129-F237 AromaticContact CG-CD2 3.47Å; Y129-F237 HydrophobicContact CG-CD2 3.47Å; Y129-F237 VanDerWaalsContact CG-CD2 3.47Å; Y129-F237 HydrophobicContact CG-CE1 4.1Å; Y129-F237 AromaticContact CG-CE2 3.54Å; Y129-F237 HydrophobicContact CG-CE2 3.54Å; Y129-F237 AromaticContact CG-CG 3.73Å; Y129-F237 HydrophobicContact CG-CG 3.73Å; Y129-F237 AromaticContact CG-CZ 3.86Å; Y129-F237 HydrophobicContact CG-CZ 3.86Å; Y129-F237 AromaticContact CZ-CD1 3.54Å; Y129-F237 AromaticContact CZ-CG 3.76Å
130L97.9Very high96.9Very high16 Ų1652.7 Ų52.78%0.08429%0.294CS..Hα-helixtrans-66.2-26.4178.9-73.1171.6000113.2L55 Q62 M126 Q132 F133 P134L55-L130 HydrophobicContact CD1-CD2 4.28Å; Q62-L130 HydrophobicContact CB-CD1 3.64Å; Q62-L130 HydrophobicContact CG-CD1 3.91Å; M126-L130 HydrophobicContact CG-CD1 4.15Å; M126-L130 WeakPolarHBondContact O-CB 3.46Å; M126-L130 WeakPolarHBondContact O-CG 3.46Å; M126-L130 PolarHBondContact O-N 3.05Å; M126-L130 HydrophobicContact SD-CD1 4.21Å; L130-Q132 PolarHBondContact O-N 2.7Å; L130-Q132 VanDerWaalsContact O-N 3.09Å; L130-F133 HydrophobicContact CD2-CD2 4.28Å; L130-F133 HydrophobicContact CD2-CE2 4.29Å; L130-F133 PolarHBondContact O-N 2.71Å; L130-F133 VanDerWaalsContact O-N 3.17Å; L130-P134 WeakPolarHBondContact O-CD 3.27Å
131G97.6Very high96.8Very high55 Ų5550.9 Ų50.957%0.56729%0.29SS*.THydrogen-bonded Turntrans-59.2-15.4173.700000115.5D127 Y129D127-G131 PolarHBondContact O-N 3.29Å; Y129-G131 VanDerWaalsContact C-N 3.25Å; Y129-G131 PolarHBondContact O-N 3.27Å
132Q96.8Very high96.9Very high92 Ų9251.6 Ų51.643%0.4329%0.292SS..THydrogen-bonded Turntrans-78.3-28.9177.2-61.6172.143.900112.9Y129 L130Y129-Q132 WeakPolarHBondContact O-CB 3.48Å; Y129-Q132 PolarHBondContact O-N 2.86Å; L130-Q132 PolarHBondContact O-N 2.7Å; L130-Q132 VanDerWaalsContact O-N 3.09Å
133F98Very high96.9Very high1 Ų152.1 Ų52.10%0.00429%0.294CS..Hα-helixtrans-69.9-36.3-170.7-69.5-104.3000114.9F51 Q54 L55 Y129 L130 D135 I136 K137 L230F51-F133 AromaticContact CD2-CD1 3.99Å; F51-F133 HydrophobicContact CD2-CD1 3.99Å; F51-F133 HydrophobicContact CD2-CE1 4.18Å; F51-F133 HydrophobicContact CE2-CB 4.35Å; F51-F133 AromaticContact CE2-CD1 3.4Å; F51-F133 HydrophobicContact CE2-CD1 3.4Å; F51-F133 HydrophobicContact CE2-CE1 4.02Å; F51-F133 HydrophobicContact CE2-CG 4.17Å; F51-F133 HydrophobicContact CZ-CB 4.13Å; F51-F133 AromaticContact CZ-CD1 3.72Å; F51-F133 HydrophobicContact CZ-CD1 3.72Å; F51-F133 HydrophobicContact CZ-CG 4.35Å; Q54-F133 HydrophobicContact CB-CE1 4.11Å; Q54-F133 HydrophobicContact CB-CZ 4.43Å; Q54-F133 HydrophobicContact CG-CE1 3.96Å; Q54-F133 HydrophobicContact CG-CZ 3.78Å; L55-F133 HydrophobicContact CB-CD1 3.73Å; L55-F133 HydrophobicContact CB-CE1 4.07Å; L55-F133 HydrophobicContact CD1-CB 3.83Å; L55-F133 HydrophobicContact CD1-CD1 3.99Å; L55-F133 HydrophobicContact CD1-CG 3.9Å; L55-F133 HydrophobicContact CD2-CB 4.49Å; L55-F133 HydrophobicContact CG-CD1 4.3Å; Y129-F133 HydrophobicContact CD1-CE2 4.21Å; Y129-F133 AromaticContact CE1-CE2 3.93Å; Y129-F133 HydrophobicContact CE1-CE2 3.93Å; Y129-F133 HydrophobicContact CE1-CZ 4.19Å; L130-F133 HydrophobicContact CD2-CD2 4.28Å; L130-F133 HydrophobicContact CD2-CE2 4.29Å; L130-F133 PolarHBondContact O-N 2.71Å; L130-F133 VanDerWaalsContact O-N 3.17Å; F133-D135 PolarHBondContact O-N 2.96Å; F133-I136 PolarHBondContact O-N 3.4Å; F133-K137 VanDerWaalsContact O-CB 3.25Å; F133-K137 WeakPolarHBondContact O-CB 3.5Å; F133-K137 PolarHBondContact O-N 2.83Å; F133-L230 HydrophobicContact CD1-CD2 4.29Å; F133-L230 HydrophobicContact CE1-CD2 3.94Å; F133-L230 HydrophobicContact CE2-CD1 4.27Å; F133-L230 HydrophobicContact CZ-CD1 4.16Å; F133-L230 HydrophobicContact CZ-CD2 4.05Å; F133-L230 HydrophobicContact CZ-CG 4.27Å
134P98Very high96.7Very high87 Ų8753 Ų5357%0.56531%0.308SS*.Hα-helixtrans-60-41.4-178.1-28.636.9000114.9L130 S138L130-P134 WeakPolarHBondContact O-CD 3.27Å; P134-S138 WeakPolarHBondContact O-CB 3.49Å; P134-S138 PolarHBondContact O-N 3.45Å
135D97.1Very high96.7Very high93 Ų9353.6 Ų53.650%0.49730%0.303SS..Hα-helixtrans-69.3-46.7177.3-178.669.6000111.3F133 K137 S138 R139F133-D135 PolarHBondContact O-N 2.96Å; D135-K137 VanDerWaalsContact C-N 3.31Å; D135-K137 PolarHBondContact O-N 2.95Å; D135-S138 CarbonylContact O-C 3.56Å; D135-S138 WeakPolarHBondContact O-CA 3.43Å; D135-S138 VanDerWaalsContact O-CB 3.25Å; D135-S138 WeakPolarHBondContact O-CB 3.26Å; D135-S138 PolarHBondContact O-N 3.39Å; D135-R139 WeakPolarHBondContact O-CG 3.27Å; D135-R139 PolarHBondContact O-N 3.19Å; D135-R139 WeakPolarHBondContact OD2-CD 3.47Å; D135-R139 IonicContact OD2-NH1 3.24Å
136I97.5Very high96.6Very high14 Ų1453.2 Ų53.27%0.07230%0.296CS..Hα-helixtrans-61.2-41.1178.9-63.5171.3000110.5F51 F133 S138 R139 I140 L223 L227 L230F51-I136 HydrophobicContact CD2-CG2 3.96Å; F51-I136 HydrophobicContact CE2-CB 3.85Å; F51-I136 HydrophobicContact CE2-CG2 3.42Å; F51-I136 VanDerWaalsContact CE2-CG2 3.42Å; F51-I136 HydrophobicContact CZ-CB 4.19Å; F51-I136 HydrophobicContact CZ-CG2 3.98Å; F133-I136 PolarHBondContact O-N 3.4Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 2.98Å; I136-R139 PolarHBondContact O-N 3.43Å; I136-I140 HydrophobicContact CG2-CD1 4.14Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.43Å; I136-I140 PolarHBondContact O-N 2.93Å; I136-L223 HydrophobicContact CG2-CD2 4.29Å; I136-L227 HydrophobicContact CG2-CD2 3.49Å; I136-L227 VanDerWaalsContact CG2-CD2 3.49Å; I136-L230 HydrophobicContact CD1-CD2 3.76Å
137K97.5Very high96.5Very high114 Ų11454.4 Ų54.450%0.49630%0.303SS..Hα-helixtrans-60.4-40.9172.4-167.8170.7-176.2174.80111.9F51 L55 F133 D135 A141F51-K137 HydrophobicContact CE1-CB 3.95Å; F51-K137 HydrophobicContact CE1-CG 4.27Å; F51-K137 HydrophobicContact CZ-CB 3.94Å; L55-K137 HydrophobicContact CD2-CD 4.24Å; F133-K137 VanDerWaalsContact O-CB 3.25Å; F133-K137 WeakPolarHBondContact O-CB 3.5Å; F133-K137 PolarHBondContact O-N 2.83Å; D135-K137 VanDerWaalsContact C-N 3.31Å; D135-K137 PolarHBondContact O-N 2.95Å; K137-A141 WeakPolarHBondContact O-CB 3.43Å; K137-A141 PolarHBondContact O-N 3.27Å; K137-A141 VanDerWaalsContact O-N 3.12Å
138S97.8Very high96.2Very high65 Ų6552.3 Ų52.346%0.45529%0.292SS..Hα-helixtrans-64-40.7174.1-171.90000112.3P134 D135 I136 A141 K142P134-S138 WeakPolarHBondContact O-CB 3.49Å; P134-S138 PolarHBondContact O-N 3.45Å; D135-S138 CarbonylContact O-C 3.56Å; D135-S138 WeakPolarHBondContact O-CA 3.43Å; D135-S138 VanDerWaalsContact O-CB 3.25Å; D135-S138 WeakPolarHBondContact O-CB 3.26Å; D135-S138 PolarHBondContact O-N 3.39Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 2.98Å; S138-A141 PolarHBondContact O-N 2.88Å; S138-K142 WeakPolarHBondContact O-CB 3.46Å; S138-K142 PolarHBondContact O-N 3.14Å
139R97.4Very high96Very high42 Ų4249 Ų4916%0.15827%0.271CS..Hα-helixtrans-70.1-42.3177.8-72.7171.168.2-154.71.5112.5D135 I136 A141 K142 R143 D222 L223 E226D135-R139 WeakPolarHBondContact O-CG 3.27Å; D135-R139 PolarHBondContact O-N 3.19Å; D135-R139 WeakPolarHBondContact OD2-CD 3.47Å; D135-R139 IonicContact OD2-NH1 3.24Å; I136-R139 PolarHBondContact O-N 3.43Å; R139-A141 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 2.88Å; R139-K142 CarbonylContact O-C 3.6Å; R139-K142 WeakPolarHBondContact O-CA 3.28Å; R139-K142 WeakPolarHBondContact O-CB 3.41Å; R139-K142 PolarHBondContact O-N 3.42Å; R139-R143 PolarHBondContact O-N 3.11Å; R139-D222 VanDerWaalsContact NH2-CB 3.26Å; R139-D222 IonicContact NH2-OD2 2.72Å; R139-D222 PolarHBondContact NH2-OD2 3.42Å; R139-L223 HydrophobicContact CB-CD1 4.18Å; R139-L223 HydrophobicContact CB-CD2 4.02Å; R139-E226 IonicContact CZ-OE1 3.93Å; R139-E226 VanDerWaalsContact CZ-OE1 3.24Å; R139-E226 IonicContact CZ-OE2 2.89Å; R139-E226 IonicContact NH1-OE1 2.87Å; R139-E226 PolarHBondContact NH1-OE1 3.31Å; R139-E226 IonicContact NH1-OE2 2.7Å; R139-E226 PolarHBondContact NH1-OE2 3.34Å; R139-E226 IonicContact NH2-OE1 2.61Å; R139-E226 PolarHBondContact NH2-OE1 3.01Å; R139-E226 IonicContact NH2-OE2 2.85Å
140I96.8Very high95.8Very high24 Ų2450.5 Ų50.512%0.12328%0.277CS..Hα-helixtrans-54.2-51169.7-67.7162.3000110F44 V48 F51 I136 K142 R143 G144 L223 L227F44-I140 HydrophobicContact CE1-CG2 4.4Å; F44-I140 HydrophobicContact CZ-CG1 4.42Å; V48-I140 HydrophobicContact CG1-CG2 4.25Å; V48-I140 HydrophobicContact CG2-CD1 4.32Å; V48-I140 HydrophobicContact CG2-CG1 4.39Å; V48-I140 HydrophobicContact CG2-CG2 3.77Å; F51-I140 HydrophobicContact CD1-CD1 3.57Å; F51-I140 HydrophobicContact CD2-CD1 4.31Å; F51-I140 HydrophobicContact CE1-CD1 3.73Å; F51-I140 HydrophobicContact CE2-CD1 4.44Å; F51-I140 HydrophobicContact CG-CD1 3.89Å; F51-I140 HydrophobicContact CZ-CD1 4.17Å; I136-I140 HydrophobicContact CG2-CD1 4.14Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.43Å; I136-I140 PolarHBondContact O-N 2.93Å; I140-K142 PolarHBondContact O-N 2.67Å; I140-R143 PolarHBondContact O-N 3.18Å; I140-G144 PolarHBondContact O-N 3.34Å; I140-L223 HydrophobicContact CG1-CD1 4.38Å; I140-L227 HydrophobicContact CD1-CD1 4.39Å; I140-L227 HydrophobicContact CD1-CD2 3.95Å; I140-L227 HydrophobicContact CG1-CD1 4.3Å; I140-L227 HydrophobicContact CG1-CD2 4.41Å
141A96.3Very high95.5Very high43 Ų4349.9 Ų49.936%0.35527%0.273SS..Hα-helixtrans-64.1-28.5178.200000112.7K137 S138 R139 R145K137-A141 WeakPolarHBondContact O-CB 3.43Å; K137-A141 PolarHBondContact O-N 3.27Å; K137-A141 VanDerWaalsContact O-N 3.12Å; S138-A141 PolarHBondContact O-N 2.88Å; R139-A141 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 2.88Å; A141-R145 VanDerWaalsContact C-CZ 3.46Å; A141-R145 VanDerWaalsContact O-CG 3.31Å; A141-R145 WeakPolarHBondContact O-CG 3.31Å; A141-R145 PolarHBondContact O-N 2.97Å; A141-R145 PolarHBondContact O-NE 3.24Å; A141-R145 PolarHBondContact O-NH1 3.47Å
142K96.4Very high95.1Very high99 Ų9948 Ų4843%0.4325%0.251SS..Hα-helixtrans-73.5-41.7174.8-168.2-176.2170.2-148.90111.6S138 R139 I140 R145 K146 M219S138-K142 WeakPolarHBondContact O-CB 3.46Å; S138-K142 PolarHBondContact O-N 3.14Å; R139-K142 CarbonylContact O-C 3.6Å; R139-K142 WeakPolarHBondContact O-CA 3.28Å; R139-K142 WeakPolarHBondContact O-CB 3.41Å; R139-K142 PolarHBondContact O-N 3.42Å; I140-K142 PolarHBondContact O-N 2.67Å; K142-R145 PolarHBondContact O-N 3.5Å; K142-K146 WeakPolarHBondContact O-CB 3.28Å; K142-K146 VanDerWaalsContact O-CG 3.29Å; K142-K146 WeakPolarHBondContact O-CG 3.37Å; K142-K146 PolarHBondContact O-N 3.35Å; K142-M219 HydrophobicContact CB-SD 4.38Å; K142-M219 HydrophobicContact CD-CE 4.47Å; K142-M219 HydrophobicContact CD-SD 3.38Å; K142-M219 WeakPolarHBondContact CD-SD 3.43Å; K142-M219 WeakPolarHBondContact CE-SD 3.4Å; K142-M219 HydrophobicContact CG-CE 4.34Å; K142-M219 HydrophobicContact CG-SD 3.64Å; K142-M219 PolarHBondContact NZ-SD 3.48Å
143R95.9Very high94.8Very high11 Ų1144.4 Ų44.44%0.04224%0.238CC..Hα-helixtrans-59.5-48.8170.9-176-164179.5-100.13.6110.9D41 F44 R139 I140 R145 K146 L147 F216 N220 L223D41-R143 IonicContact OD2-CZ 2.74Å; D41-R143 IonicContact OD2-NH2 3.59Å; D41-R143 PolarHBondContact OD2-NH2 2.83Å; F44-R143 VanDerWaalsContact CE2-CD 3.47Å; F44-R143 VanDerWaalsContact CG-CZ 3.47Å; F44-R143 VanDerWaalsContact CG-NH1 3.34Å; R139-R143 PolarHBondContact O-N 3.11Å; I140-R143 PolarHBondContact O-N 3.18Å; R143-R145 VanDerWaalsContact C-N 3.32Å; R143-R145 PolarHBondContact O-N 2.97Å; R143-K146 CarbonylContact O-C 3.54Å; R143-K146 WeakPolarHBondContact O-CA 3.31Å; R143-K146 WeakPolarHBondContact O-CB 3.41Å; R143-K146 PolarHBondContact O-N 3.44Å; R143-L147 PolarHBondContact O-N 3.37Å; R143-F216 HydrophobicContact CG-CD2 4.15Å; R143-F216 HydrophobicContact CG-CE2 3.73Å; R143-N220 PolarHBondContact NE-OD1 3.02Å; R143-N220 PolarHBondContact NH2-OD1 2.7Å; R143-L223 HydrophobicContact CB-CD1 4Å
144G93Very high94.6Very high37 Ų3746.3 Ų46.338%0.38125%0.245SC..Hα-helixtrans-58.9-39.6177.400000113.3I140 K146I140-G144 PolarHBondContact O-N 3.34Å; G144-K146 PolarHBondContact O-N 3.03Å
145R94.4Very high94.1Very high115 Ų11545 Ų4543%0.43423%0.231SC..Hα-helixtrans-69.4-12.5171.7-71.9-179.7-63.5-101.72.3114.2R24 A141 K142 R143R24-R145 PolarHBondContact NE-O 2.81Å; A141-R145 VanDerWaalsContact C-CZ 3.46Å; A141-R145 VanDerWaalsContact O-CG 3.31Å; A141-R145 WeakPolarHBondContact O-CG 3.31Å; A141-R145 PolarHBondContact O-N 2.97Å; A141-R145 PolarHBondContact O-NE 3.24Å; A141-R145 PolarHBondContact O-NH1 3.47Å; K142-R145 PolarHBondContact O-N 3.5Å; R143-R145 VanDerWaalsContact C-N 3.32Å; R143-R145 PolarHBondContact O-N 2.97Å
146K93.7Very high93.7Very high50 Ų5045 Ų4522%0.21723%0.228CC..Hα-helixtrans-102.4-32.5-177.7-79.9-76.8168.6-158.50113.4K142 R143 G144 V148 D149 Y150 V215 F216 M219K142-K146 WeakPolarHBondContact O-CB 3.28Å; K142-K146 VanDerWaalsContact O-CG 3.29Å; K142-K146 WeakPolarHBondContact O-CG 3.37Å; K142-K146 PolarHBondContact O-N 3.35Å; R143-K146 CarbonylContact O-C 3.54Å; R143-K146 WeakPolarHBondContact O-CA 3.31Å; R143-K146 WeakPolarHBondContact O-CB 3.41Å; R143-K146 PolarHBondContact O-N 3.44Å; G144-K146 PolarHBondContact O-N 3.03Å; K146-V148 VanDerWaalsContact C-N 3.27Å; K146-V148 PolarHBondContact O-N 3.14Å; K146-D149 HydrophobicContact CD-CB 4.42Å; K146-D149 WeakPolarHBondContact CD-OD2 3.45Å; K146-D149 VanDerWaalsContact CE-OD2 3.28Å; K146-D149 WeakPolarHBondContact CE-OD2 3.31Å; K146-D149 IonicContact NZ-OD2 2.67Å; K146-D149 PolarHBondContact NZ-OD2 3.25Å; K146-D149 WeakPolarHBondContact O-CB 3.39Å; K146-D149 PolarHBondContact O-N 2.8Å; K146-D149 VanDerWaalsContact O-N 3.15Å; K146-Y150 PolarHBondContact O-N 3.12Å; K146-V215 HydrophobicContact CD-CB 4.49Å; K146-V215 HydrophobicContact CD-CG1 3.86Å; K146-F216 HydrophobicContact CB-CB 4.27Å; K146-F216 HydrophobicContact CB-CD2 4.37Å; K146-M219 HydrophobicContact CD-CE 4.34Å; K146-M219 HydrophobicContact CG-CE 3.8Å
147L93.1Very high93.2Very high26 Ų2646 Ų4614%0.13623%0.231CC..Hα-helixtrans-54.9-46.5165.8-172.552.7000110.5T39 R143 D149 Y150 D151 F216T39-L147 HydrophobicContact CG2-CD1 3.87Å; R143-L147 PolarHBondContact O-N 3.37Å; L147-D149 PolarHBondContact O-N 3.41Å; L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.22Å; L147-Y150 VanDerWaalsContact O-N 3.14Å; L147-D151 PolarHBondContact O-N 2.97Å; L147-F216 HydrophobicContact CB-CD2 3.99Å; L147-F216 HydrophobicContact CB-CE2 3.81Å; L147-F216 HydrophobicContact CD1-CD2 4.29Å; L147-F216 HydrophobicContact CD1-CE1 4.4Å; L147-F216 HydrophobicContact CD1-CE2 3.76Å; L147-F216 HydrophobicContact CD1-CZ 3.82Å; L147-F216 HydrophobicContact CG-CE2 4.25Å
148V91.1Very high92.7Very high11 Ų1144.4 Ų44.47%0.06723%0.225CC..Hα-helixtrans-69.3-31.2175.7-173.80000113.2R24 E27 K28 K146 Y150 S152R24-V148 HydrophobicContact CB-CG1 3.87Å; R24-V148 HydrophobicContact CG-CB 4.27Å; R24-V148 HydrophobicContact CG-CG1 3.85Å; E27-V148 HydrophobicContact CB-CG1 3.99Å; K28-V148 HydrophobicContact CG-CG1 4.21Å; K28-V148 HydrophobicContact CG-CG2 4.26Å; K146-V148 VanDerWaalsContact C-N 3.27Å; K146-V148 PolarHBondContact O-N 3.14Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; V148-S152 WeakPolarHBondContact O-CB 3.42Å; V148-S152 PolarHBondContact O-N 3.44Å
149D91.9Very high92.1Very high24 Ų2443.4 Ų43.413%0.12822%0.218CC..Hα-helixtrans-64.1-38.2170.5-77.1-16.7000110.9R24 K146 L147 A153R24-D149 IonicContact CZ-OD1 2.76Å; R24-D149 IonicContact CZ-OD2 3.56Å; R24-D149 IonicContact NE-OD1 2.66Å; R24-D149 PolarHBondContact NE-OD1 2.85Å; R24-D149 IonicContact NE-OD2 3.75Å; R24-D149 IonicContact NH2-OD1 2.65Å; R24-D149 PolarHBondContact NH2-OD1 3.47Å; R24-D149 IonicContact NH2-OD2 3.47Å; R24-D149 PolarHBondContact NH2-OD2 2.93Å; K146-D149 HydrophobicContact CD-CB 4.42Å; K146-D149 WeakPolarHBondContact CD-OD2 3.45Å; K146-D149 VanDerWaalsContact CE-OD2 3.28Å; K146-D149 WeakPolarHBondContact CE-OD2 3.31Å; K146-D149 IonicContact NZ-OD2 2.67Å; K146-D149 PolarHBondContact NZ-OD2 3.25Å; K146-D149 WeakPolarHBondContact O-CB 3.39Å; K146-D149 PolarHBondContact O-N 2.8Å; K146-D149 VanDerWaalsContact O-N 3.15Å; L147-D149 PolarHBondContact O-N 3.41Å; D149-A153 WeakPolarHBondContact O-CB 3.35Å; D149-A153 PolarHBondContact O-N 3Å
150Y93.4Very high91.4Very high42 Ų4243.7 Ų43.717%0.16522%0.222CC..Hα-helixtrans-73.8-48.6-179.6166.1-108.5000112.4K146 L147 V148 S152 A153 R154 L209 Q213K146-Y150 PolarHBondContact O-N 3.12Å; L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.22Å; L147-Y150 VanDerWaalsContact O-N 3.14Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; Y150-S152 VanDerWaalsContact C-N 3.29Å; Y150-S152 PolarHBondContact O-N 3.34Å; Y150-A153 PolarHBondContact O-N 3.35Å; Y150-R154 WeakPolarHBondContact O-CB 3.43Å; Y150-R154 PolarHBondContact O-N 2.81Å; Y150-L209 HydrophobicContact CD2-CD1 3.76Å; Y150-L209 HydrophobicContact CE2-CD1 3.54Å; Y150-Q213 HydrophobicContact CD2-CB 3.62Å; Y150-Q213 HydrophobicContact CD2-CG 4.08Å; Y150-Q213 HydrophobicContact CE2-CB 3.57Å; Y150-Q213 HydrophobicContact CE2-CG 3.66Å
151D91.4Very high90.5Very high3 Ų347 Ų472%0.01624%0.237CC..Hα-helixtrans-57.4-42.2176-82.7-27.2000111.5E27 Q31 T39 L147 R154 H155E27-D151 HydrophobicContact CG-CB 4.5Å; Q31-D151 PolarHBondContact NE2-OD2 3.24Å; T39-D151 WeakPolarHBondContact CB-OD1 3.37Å; T39-D151 PolarHBondContact N-OD2 3.42Å; T39-D151 PolarHBondContact OG1-OD1 2.91Å; L147-D151 PolarHBondContact O-N 2.97Å; D151-R154 WeakPolarHBondContact O-CB 3.12Å; D151-R154 PolarHBondContact O-N 3.27Å; D151-R154 IonicContact OD1-CZ 3.96Å; D151-R154 IonicContact OD1-NE 2.97Å; D151-R154 PolarHBondContact OD1-NE 3.47Å; D151-R154 IonicContact OD1-NH2 3.72Å; D151-R154 PolarHBondContact OD1-NH2 3.38Å; D151-H155 WeakPolarHBondContact O-CB 3.36Å; D151-H155 PolarHBondContact O-N 3.03Å
152S90.1Very high89.4Confident15 Ų1549.7 Ų49.711%0.10525%0.25CC..Hα-helixtrans-68.1-37.5178.2-157.60000112.8E27 V148 Y150 H156E27-S152 VanDerWaalsContact OE2-CA 3.26Å; E27-S152 WeakPolarHBondContact OE2-CA 3.47Å; E27-S152 WeakPolarHBondContact OE2-CB 3.38Å; E27-S152 PolarHBondContact OE2-OG 3.11Å; V148-S152 WeakPolarHBondContact O-CB 3.42Å; V148-S152 PolarHBondContact O-N 3.44Å; Y150-S152 VanDerWaalsContact C-N 3.29Å; Y150-S152 PolarHBondContact O-N 3.34Å; S152-H156 VanDerWaalsContact O-CB 3.28Å; S152-H156 WeakPolarHBondContact O-CB 3.36Å; S152-H156 PolarHBondContact O-N 2.82Å
153A91.1Very high87.9Confident17 Ų1746.1 Ų46.114%0.1424%0.239CC..Hα-helixtrans-67.2-38.4172.800000112.2D149 Y150 H156 Y157 L209 A212D149-A153 WeakPolarHBondContact O-CB 3.35Å; D149-A153 PolarHBondContact O-N 3Å; Y150-A153 PolarHBondContact O-N 3.35Å; A153-H156 PolarHBondContact O-N 2.97Å; A153-Y157 WeakPolarHBondContact O-CB 3.17Å; A153-Y157 PolarHBondContact O-N 3.42Å; A153-L209 HydrophobicContact CB-CB 4.34Å; A153-L209 HydrophobicContact CB-CD1 4.32Å; A153-A212 HydrophobicContact CB-CB 4.02Å
154R92.3Very high86Confident41 Ų4152.1 Ų52.116%0.15527%0.265CS..Hα-helixtrans-62.4-54.1176.2174.317165.390.4-4110.5D37 T39 Y150 D151 H156 Y157 E158 L209D37-R154 PolarHBondContact O-NH2 2.98Å; T39-R154 PolarHBondContact OG1-NH2 3.38Å; Y150-R154 WeakPolarHBondContact O-CB 3.43Å; Y150-R154 PolarHBondContact O-N 2.81Å; D151-R154 WeakPolarHBondContact O-CB 3.12Å; D151-R154 PolarHBondContact O-N 3.27Å; D151-R154 IonicContact OD1-CZ 3.96Å; D151-R154 IonicContact OD1-NE 2.97Å; D151-R154 PolarHBondContact OD1-NE 3.47Å; D151-R154 IonicContact OD1-NH2 3.72Å; D151-R154 PolarHBondContact OD1-NH2 3.38Å; R154-H156 VanDerWaalsContact C-N 3.32Å; R154-H156 PolarHBondContact O-N 2.9Å; R154-Y157 PolarHBondContact O-N 2.98Å; R154-E158 WeakPolarHBondContact CG-OE1 3.38Å; R154-E158 IonicContact NH1-OE1 3.46Å; R154-E158 WeakPolarHBondContact O-CB 3.47Å; R154-E158 WeakPolarHBondContact O-CG 3.31Å; R154-E158 PolarHBondContact O-N 2.84Å; R154-L209 HydrophobicContact CB-CD1 3.88Å
155H88.5Confident83.9Confident58 Ų5859.7 Ų59.727%0.26929%0.288SS..Hα-helixtrans-60.8-38.8177.4176.9-150.2000112E27 D151 S159E27-H155 IonicContact OE1-CE1 2.69Å; E27-H155 IonicContact OE1-CG 2.65Å; E27-H155 IonicContact OE1-ND1 2.69Å; E27-H155 PolarHBondContact OE1-ND1 2.92Å; E27-H155 IonicContact OE2-ND1 2.7Å; D151-H155 WeakPolarHBondContact O-CB 3.36Å; D151-H155 PolarHBondContact O-N 3.03Å; H155-S159 WeakPolarHBondContact O-CB 3.48Å; H155-S159 PolarHBondContact O-N 3.14Å
156H87.5Confident81.5Confident94 Ų9462.2 Ų62.244%0.43530%0.302SS..Hα-helixtrans-62.5-47.4173.9-174.145000112.3S152 A153 R154 S159 L160S152-H156 VanDerWaalsContact O-CB 3.28Å; S152-H156 WeakPolarHBondContact O-CB 3.36Å; S152-H156 PolarHBondContact O-N 2.82Å; A153-H156 PolarHBondContact O-N 2.97Å; R154-H156 VanDerWaalsContact C-N 3.32Å; R154-H156 PolarHBondContact O-N 2.9Å; H156-S159 WeakPolarHBondContact O-CB 3.34Å; H156-S159 PolarHBondContact O-N 3.1Å; H156-S159 PolarHBondContact O-OG 3.39Å; H156-L160 PolarHBondContact O-N 2.9Å; H156-L160 VanDerWaalsContact O-N 3.1Å
157Y87.8Confident79Confident35 Ų3562.5 Ų62.514%0.13731%0.305CS..Hα-helixtrans-62.3-43.8177.5178.1-115.9000112.5A153 R154 S159 L160 Q161 R202 A205 E206 L209A153-Y157 WeakPolarHBondContact O-CB 3.17Å; A153-Y157 PolarHBondContact O-N 3.42Å; R154-Y157 PolarHBondContact O-N 2.98Å; Y157-S159 VanDerWaalsContact C-N 3.34Å; Y157-S159 PolarHBondContact O-N 3.27Å; Y157-L160 PolarHBondContact O-N 2.87Å; Y157-Q161 HydrophobicContact CE1-CG 4.46Å; Y157-Q161 HydrophobicContact CE2-CG 4.46Å; Y157-Q161 PolarHBondContact O-N 3.42Å; Y157-R202 HydrophobicContact CD2-CG 4.3Å; Y157-R202 HydrophobicContact CE2-CG 3.75Å; Y157-A205 HydrophobicContact CD2-CB 4.18Å; Y157-E206 HydrophobicContact CD2-CB 4.07Å; Y157-E206 HydrophobicContact CD2-CG 4.48Å; Y157-E206 HydrophobicContact CE2-CB 3.6Å; Y157-E206 HydrophobicContact CE2-CG 3.73Å; Y157-E206 VanDerWaalsContact OH-CD 3.32Å; Y157-E206 PolarHBondContact OH-OE2 3.35Å; Y157-L209 HydrophobicContact CD1-CD2 3.49Å; Y157-L209 VanDerWaalsContact CD1-CD2 3.49Å; Y157-L209 HydrophobicContact CE1-CD2 4.19Å; Y157-L209 HydrophobicContact CG-CD2 3.93Å
158E87.6Confident76.7Confident80 Ų8068 Ų6837%0.37433%0.331SS..Hα-helixtrans-61.6-38.5174.1-71.8170.3-170.900112.4R154 L160 Q161 T162R154-E158 WeakPolarHBondContact CG-OE1 3.38Å; R154-E158 IonicContact NH1-OE1 3.46Å; R154-E158 WeakPolarHBondContact O-CB 3.47Å; R154-E158 WeakPolarHBondContact O-CG 3.31Å; R154-E158 PolarHBondContact O-N 2.84Å; E158-L160 PolarHBondContact O-N 3.02Å; E158-Q161 PolarHBondContact O-N 3.45Å; E158-T162 WeakPolarHBondContact O-CG2 3.34Å; E158-T162 PolarHBondContact O-N 2.98Å; E158-T162 PolarHBondContact O-OG1 3.29Å
159S84.6Confident74.6Confident45 Ų4571.2 Ų71.232%0.31536%0.358SS..Hα-helixtrans-61.7-42174.1830000111.7H155 H156 Y157 T162 A163H155-S159 WeakPolarHBondContact O-CB 3.48Å; H155-S159 PolarHBondContact O-N 3.14Å; H156-S159 WeakPolarHBondContact O-CB 3.34Å; H156-S159 PolarHBondContact O-N 3.1Å; H156-S159 PolarHBondContact O-OG 3.39Å; Y157-S159 VanDerWaalsContact C-N 3.34Å; Y157-S159 PolarHBondContact O-N 3.27Å; S159-T162 PolarHBondContact O-N 3.37Å; S159-T162 PolarHBondContact O-OG1 2.94Å; S159-A163 VanDerWaalsContact O-CB 3.25Å; S159-A163 WeakPolarHBondContact O-CB 3.43Å; S159-A163 PolarHBondContact O-N 3.34Å
160L82.3Confident72.5Confident47 Ų4777.3 Ų77.325%0.24638%0.383CS..Hα-helixtrans-72.7-30.1178-69.6172.4000113.1H156 Y157 E158 A205H156-L160 PolarHBondContact O-N 2.9Å; H156-L160 VanDerWaalsContact O-N 3.1Å; Y157-L160 PolarHBondContact O-N 2.87Å; E158-L160 PolarHBondContact O-N 3.02Å; L160-A205 HydrophobicContact CD1-CB 3.58Å
161Q77.3Confident70.5Confident93 Ų9379.1 Ų79.144%0.43540%0.395SS..Hα-helixtrans-67.2-45.9170.6-73.9-158.466.600111.8Y157 E158Y157-Q161 HydrophobicContact CE1-CG 4.46Å; Y157-Q161 HydrophobicContact CE2-CG 4.46Å; Y157-Q161 PolarHBondContact O-N 3.42Å; E158-Q161 PolarHBondContact O-N 3.45Å
162T74.1Confident68.7Low101 Ų10181 Ų8162%0.6241%0.411SS*.Hα-helixtrans-77.5-24.3-177.255.50000113.5E158 S159 K164 K165E158-T162 WeakPolarHBondContact O-CG2 3.34Å; E158-T162 PolarHBondContact O-N 2.98Å; E158-T162 PolarHBondContact O-OG1 3.29Å; S159-T162 PolarHBondContact O-N 3.37Å; S159-T162 PolarHBondContact O-OG1 2.94Å; T162-K164 PolarHBondContact O-N 3.46Å; T162-K165 PolarHBondContact O-N 2.83Å
163A65.8Low67.1Low24 Ų2487.6 Ų87.620%0.19844%0.438CS..G310 helixtrans-55-22.5175.700000114.2S159 K165 K166 D167S159-A163 VanDerWaalsContact O-CB 3.25Å; S159-A163 WeakPolarHBondContact O-CB 3.43Å; S159-A163 PolarHBondContact O-N 3.34Å; A163-K165 PolarHBondContact O-N 2.75Å; A163-K166 PolarHBondContact O-N 2.91Å; A163-D167 PolarHBondContact O-N 3.18Å
164K54.7Low65.5Low137 Ų13790.8 Ų90.860%0.59646%0.457SS*.G310 helixtrans-51.2-18.2173.3-76-176.8176.4175.70115.2T162T162-K164 PolarHBondContact O-N 3.46Å
165K49.3Very low64Low196 Ų19690.8 Ų90.885%0.85246%0.462SS*.G310 helixtrans-113.4-0.7174.9-71.2-175176.3178.80114.7T162 A163T162-K165 PolarHBondContact O-N 2.83Å; A163-K165 PolarHBondContact O-N 2.75Å
166K44.2Very low62.7Low168 Ų16889.4 Ų89.473%0.7346%0.459SS*.THydrogen-bonded Turntrans-127.1-38.3-163.9-144.2174.8-173.9179.40113.8A163A163-K166 PolarHBondContact O-N 2.91Å
167D42.1Very low61.6Low55 Ų5590.8 Ų90.829%0.29447%0.468SS..THydrogen-bonded Turntrans-90.2-2.2179-80.9-58.8000114.5A163 A169 K170 I171A163-D167 PolarHBondContact O-N 3.18Å; D167-A169 PolarHBondContact O-N 2.92Å; D167-K170 PolarHBondContact O-N 3.14Å; D167-K170 VanDerWaalsContact O-N 3.12Å; D167-K170 WeakPolarHBondContact OD1-CD 3.44Å; D167-K170 IonicContact OD1-NZ 3.62Å; D167-I171 HydrophobicContact CB-CD1 4.08Å; D167-I171 HydrophobicContact CB-CG1 4.41Å; D167-I171 WeakPolarHBondContact O-CB 2.95Å; D167-I171 WeakPolarHBondContact O-CG1 3.29Å; D167-I171 PolarHBondContact O-N 3Å
168E44.6Very low60.5Low143 Ų14393.9 Ų93.967%0.66849%0.487SS*.Hα-helixtrans-49.3-45.3158.9-85.2-168.6138.500110.4K170 A172E168-K170 PolarHBondContact O-N 3.09Å; E168-K170 VanDerWaalsContact O-N 3.1Å; E168-A172 WeakPolarHBondContact O-CA 3.34Å; E168-A172 WeakPolarHBondContact O-CB 3.47Å; E168-A172 PolarHBondContact O-N 3.27Å
169A45.8Very low59.3Low77 Ų7793 Ų9364%0.63648%0.482SS*.Hα-helixtrans-62.4-22.7-177.800000114.6D167D167-A169 PolarHBondContact O-N 2.92Å
170K48.3Very low58.6Low153 Ų15398.5 Ų98.567%0.66550%0.501SS*.Hα-helixtrans-100.7-46.8178.4-63.8-171.5-163.7153.90112.3D167 E168 P174D167-K170 PolarHBondContact O-N 3.14Å; D167-K170 VanDerWaalsContact O-N 3.12Å; D167-K170 WeakPolarHBondContact OD1-CD 3.44Å; D167-K170 IonicContact OD1-NZ 3.62Å; E168-K170 PolarHBondContact O-N 3.09Å; E168-K170 VanDerWaalsContact O-N 3.1Å; K170-P174 WeakPolarHBondContact O-CD 3.31Å
171I51.7Low58.1Low79 Ų79100.2 Ų100.241%0.40552%0.522SS..Hα-helixtrans-75.1-35.5-176.9-62.2175.8000111D167 K173 P174 V175 L194D167-I171 HydrophobicContact CB-CD1 4.08Å; D167-I171 HydrophobicContact CB-CG1 4.41Å; D167-I171 WeakPolarHBondContact O-CB 2.95Å; D167-I171 WeakPolarHBondContact O-CG1 3.29Å; D167-I171 PolarHBondContact O-N 3Å; I171-K173 PolarHBondContact O-N 3.43Å; I171-K173 VanDerWaalsContact O-N 3.16Å; I171-P174 WeakPolarHBondContact O-CD 3.4Å; I171-P174 WeakPolarHBondContact O-CG 3.43Å; I171-V175 HydrophobicContact CG2-CB 4.41Å; I171-V175 HydrophobicContact CG2-CG2 3.58Å; I171-V175 VanDerWaalsContact O-CB 3.3Å; I171-V175 WeakPolarHBondContact O-CB 3.28Å; I171-V175 WeakPolarHBondContact O-CG2 3.41Å; I171-V175 PolarHBondContact O-N 3.36Å; I171-L194 HydrophobicContact CG2-CD1 4.16Å
172A52.4Low58Low43 Ų4396.7 Ų96.736%0.35551%0.509SS..Hα-helixtrans-70-10-179.400000114.2E168 S176E168-A172 WeakPolarHBondContact O-CA 3.34Å; E168-A172 WeakPolarHBondContact O-CB 3.47Å; E168-A172 PolarHBondContact O-N 3.27Å; A172-S176 WeakPolarHBondContact O-CA 3.46Å; A172-S176 WeakPolarHBondContact O-CB 3.26Å; A172-S176 PolarHBondContact O-N 3.05Å; A172-S176 PolarHBondContact O-OG 3.41Å
173K57Low58.3Low153 Ų15395.2 Ų95.267%0.66550%0.501SS*.Hα-helixtrans-68.1-63169.8-77.8-176178.1178.70111.4I171 L177I171-K173 PolarHBondContact O-N 3.43Å; I171-K173 VanDerWaalsContact O-N 3.16Å; K173-L177 WeakPolarHBondContact O-CD1 3.36Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.44Å; K173-L177 PolarHBondContact O-N 3.01Å
174P57.9Low58.7Low85 Ų85101.2 Ų101.255%0.55253%0.525SS*.Hα-helixtrans-65.3-38.6173.725-33000112.7K170 I171 L177 L178K170-P174 WeakPolarHBondContact O-CD 3.31Å; I171-P174 WeakPolarHBondContact O-CD 3.4Å; I171-P174 WeakPolarHBondContact O-CG 3.43Å; P174-L177 PolarHBondContact O-N 2.82Å; P174-L178 PolarHBondContact O-N 2.84Å
175V61.6Low59.8Low41 Ų41104 Ų10425%0.24853%0.532CS..Hα-helixtrans-68.5-45.7-179.4173.40000112.1I171 L177 L178 E179 L194I171-V175 HydrophobicContact CG2-CB 4.41Å; I171-V175 HydrophobicContact CG2-CG2 3.58Å; I171-V175 VanDerWaalsContact O-CB 3.3Å; I171-V175 WeakPolarHBondContact O-CB 3.28Å; I171-V175 WeakPolarHBondContact O-CG2 3.41Å; I171-V175 PolarHBondContact O-N 3.36Å; V175-L177 VanDerWaalsContact C-N 3.27Å; V175-L177 PolarHBondContact O-N 3.18Å; V175-L178 WeakPolarHBondContact O-CB 3.49Å; V175-L178 PolarHBondContact O-N 3.46Å; V175-L178 VanDerWaalsContact O-N 3.14Å; V175-E179 VanDerWaalsContact O-CB 3.28Å; V175-E179 WeakPolarHBondContact O-CB 3.36Å; V175-E179 PolarHBondContact O-N 2.96Å; V175-L194 HydrophobicContact CG1-CD2 4.13Å; V175-L194 HydrophobicContact CG2-CD1 4.45Å
176S60.7Low61.3Low29 Ų2996 Ų9620%0.20350%0.5CS..Hα-helixtrans-71.1-22.7178.878.50000113A172 K180A172-S176 WeakPolarHBondContact O-CA 3.46Å; A172-S176 WeakPolarHBondContact O-CB 3.26Å; A172-S176 PolarHBondContact O-N 3.05Å; A172-S176 PolarHBondContact O-OG 3.41Å; S176-K180 VanDerWaalsContact O-CB 3.22Å; S176-K180 WeakPolarHBondContact O-CB 3.35Å; S176-K180 VanDerWaalsContact O-CD 3.24Å; S176-K180 WeakPolarHBondContact O-CD 3.25Å; S176-K180 WeakPolarHBondContact O-CG 3.39Å; S176-K180 PolarHBondContact O-N 3.39Å
177L63.4Low62.9Low122 Ų12290.3 Ų90.364%0.63948%0.476SS*.Hα-helixtrans-66.9-46.1167.8-77169.5000111K173 P174 V175 K180 A181K173-L177 WeakPolarHBondContact O-CD1 3.36Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.44Å; K173-L177 PolarHBondContact O-N 3.01Å; P174-L177 PolarHBondContact O-N 2.82Å; V175-L177 VanDerWaalsContact C-N 3.27Å; V175-L177 PolarHBondContact O-N 3.18Å; L177-K180 PolarHBondContact O-N 3.19Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3Å
178L64.7Low64.7Low101 Ų10190.4 Ų90.453%0.52949%0.49SS..Hα-helixtrans-63.7-41.9176-169.868.2000111.8P174 V175 A181 A182 L190P174-L178 PolarHBondContact O-N 2.84Å; V175-L178 WeakPolarHBondContact O-CB 3.49Å; V175-L178 PolarHBondContact O-N 3.46Å; V175-L178 VanDerWaalsContact O-N 3.14Å; L178-A181 PolarHBondContact O-N 3.03Å; L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 2.88Å; L178-L190 HydrophobicContact CD2-CD1 4.47Å; L178-L190 HydrophobicContact CD2-CD2 3.87Å; L178-L190 HydrophobicContact CG-CD1 4.24Å; L178-L190 HydrophobicContact CG-CD2 4.45Å
179E64.2Low66.4Low60 Ų6090.9 Ų90.928%0.2849%0.49SS..Hα-helixtrans-68.9-35.4179.5-171.1176.9-136.100112.7V175 Q187V175-E179 VanDerWaalsContact O-CB 3.28Å; V175-E179 WeakPolarHBondContact O-CB 3.36Å; V175-E179 PolarHBondContact O-N 2.96Å; E179-Q187 HydrophobicContact CG-CG 4.06Å; E179-Q187 PolarHBondContact O-NE2 3.35Å
180K68.9Low68Low161 Ų16190 Ų9070%0.747%0.474SS*.Hα-helixtrans-74.5-29172.6-73.6165.2-172.3157.10113.2S176 L177S176-K180 VanDerWaalsContact O-CB 3.22Å; S176-K180 WeakPolarHBondContact O-CB 3.35Å; S176-K180 VanDerWaalsContact O-CD 3.24Å; S176-K180 WeakPolarHBondContact O-CD 3.25Å; S176-K180 WeakPolarHBondContact O-CG 3.39Å; S176-K180 PolarHBondContact O-N 3.39Å; L177-K180 PolarHBondContact O-N 3.19Å
181A72.2Confident69.5Low84 Ų8487.2 Ų87.269%0.69446%0.463SS*.Hα-helixtrans-81.7-24.7174.900000112.8L177 L178L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3Å; L178-A181 PolarHBondContact O-N 3.03Å
182A74.4Confident70.8Confident19 Ų1986.4 Ų86.416%0.15747%0.468CS..SBendtrans-76.4138.7-179.700000112.3L178 C186 L190L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 2.88Å; A182-C186 HydrophobicContact CB-CB 4.04Å; A182-L190 HydrophobicContact CB-CD1 3.57Å
183P80.1Confident72.2Confident69 Ų6990.3 Ų90.345%0.44848%0.479SS..  trans-54.4149.1168.4-26.535.2000112.3W185 C186 Q187P183-W185 HydrophobicContact CB-CG 4.37Å; P183-W185 PolarHBondContact O-N 3.47Å; P183-W185 VanDerWaalsContact O-N 3.08Å; P183-C186 WeakPolarHBondContact O-CA 3Å; P183-C186 VanDerWaalsContact O-CB 3.31Å; P183-C186 WeakPolarHBondContact O-CB 3.49Å; P183-C186 PolarHBondContact O-N 3.28Å; P183-Q187 PolarHBondContact O-N 2.84Å
184Q74.9Confident73.2Confident151 Ų15185 Ų8571%0.70646%0.457SS*.Hα-helixtrans-47.9-40.8179-76.2-74.7-73.800113.6C186 Q187Q184-C186 PolarHBondContact O-N 2.95Å; Q184-Q187 VanDerWaalsContact NE2-CD 3.31Å; Q184-Q187 PolarHBondContact O-N 3.48Å
185W77.8Confident74.3Confident195 Ų19584.5 Ų84.574%0.73945%0.453SS*.Hα-helixtrans-68.4-18.5179.169.7-97.5000114.3P183P183-W185 HydrophobicContact CB-CG 4.37Å; P183-W185 PolarHBondContact O-N 3.47Å; P183-W185 VanDerWaalsContact O-N 3.08Å
186C81.3Confident75.2Confident28 Ų2885.1 Ų85.119%0.18946%0.463CS..Hα-helixtrans-86.3-28.7175.4-66.50000113.1A182 P183 Q184 G188 K189 L190A182-C186 HydrophobicContact CB-CB 4.04Å; P183-C186 WeakPolarHBondContact O-CA 3Å; P183-C186 VanDerWaalsContact O-CB 3.31Å; P183-C186 WeakPolarHBondContact O-CB 3.49Å; P183-C186 PolarHBondContact O-N 3.28Å; Q184-C186 PolarHBondContact O-N 2.95Å; C186-G188 VanDerWaalsContact C-N 3.34Å; C186-G188 PolarHBondContact O-N 3.31Å; C186-K189 WeakPolarHBondContact O-CA 3.25Å; C186-K189 WeakPolarHBondContact O-CB 3.22Å; C186-K189 PolarHBondContact O-N 3.35Å; C186-L190 PolarHBondContact O-N 2.87Å
187Q77.1Confident76.1Confident49 Ų4988.4 Ų88.423%0.22948%0.475CS..Hα-helixtrans-57.8-43.6-171.2-68.9-176.6-19.400112.3E179 P183 Q184 K189 L190 Q191E179-Q187 HydrophobicContact CG-CG 4.06Å; E179-Q187 PolarHBondContact O-NE2 3.35Å; P183-Q187 PolarHBondContact O-N 2.84Å; Q184-Q187 VanDerWaalsContact NE2-CD 3.31Å; Q184-Q187 PolarHBondContact O-N 3.48Å; Q187-K189 VanDerWaalsContact C-N 3.25Å; Q187-K189 PolarHBondContact O-N 3.08Å; Q187-L190 PolarHBondContact O-N 3.11Å; Q187-L190 VanDerWaalsContact O-N 3.15Å; Q187-Q191 PolarHBondContact O-N 3.09Å
188G80.2Confident76.9Confident56 Ų5685.5 Ų85.558%0.57746%0.462SS*.Hα-helixtrans-59.9-31.3175.400000114.1C186 A192C186-G188 VanDerWaalsContact C-N 3.34Å; C186-G188 PolarHBondContact O-N 3.31Å; G188-A192 VanDerWaalsContact O-CB 3.27Å; G188-A192 WeakPolarHBondContact O-CB 3.38Å; G188-A192 PolarHBondContact O-N 3.07Å; G188-A192 VanDerWaalsContact O-N 3.11Å
189K81.1Confident77.8Confident154 Ų15483.6 Ų83.667%0.6745%0.452SS*.Hα-helixtrans-76.1-39.1174.6-68.9-168.7175.9-173.40112.2C186 Q187 A192 H193C186-K189 WeakPolarHBondContact O-CA 3.25Å; C186-K189 WeakPolarHBondContact O-CB 3.22Å; C186-K189 PolarHBondContact O-N 3.35Å; Q187-K189 VanDerWaalsContact C-N 3.25Å; Q187-K189 PolarHBondContact O-N 3.08Å; K189-A192 PolarHBondContact O-N 3.16Å; K189-H193 WeakPolarHBondContact O-CB 2.82Å; K189-H193 PolarHBondContact O-N 3.48Å
190L78.1Confident78.7Confident58 Ų5885.5 Ų85.530%0.30446%0.464SS..Hα-helixtrans-62.3-46.7175.3-71.2172.7000111.1L178 A182 C186 Q187 H193 L194L178-L190 HydrophobicContact CD2-CD1 4.47Å; L178-L190 HydrophobicContact CD2-CD2 3.87Å; L178-L190 HydrophobicContact CG-CD1 4.24Å; L178-L190 HydrophobicContact CG-CD2 4.45Å; A182-L190 HydrophobicContact CB-CD1 3.57Å; C186-L190 PolarHBondContact O-N 2.87Å; Q187-L190 PolarHBondContact O-N 3.11Å; Q187-L190 VanDerWaalsContact O-N 3.15Å; L190-H193 PolarHBondContact O-N 3.21Å; L190-L194 PolarHBondContact O-N 3.34Å
191Q79Confident79.4Confident95 Ų9581.9 Ų81.944%0.44445%0.452SS..Hα-helixtrans-66.7-40.5179-171.868.3-47.100111.9Q187 H193 L194 V195Q187-Q191 PolarHBondContact O-N 3.09Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; Q191-H193 PolarHBondContact O-N 2.91Å; Q191-L194 PolarHBondContact O-N 3.14Å; Q191-V195 WeakPolarHBondContact O-CB 3.38Å; Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; Q191-V195 PolarHBondContact O-N 2.72Å
192A80.5Confident79.9Confident61 Ų6179.6 Ų79.650%0.50443%0.425SS..Hα-helixtrans-60.8-40.3172.700000112.4G188 K189 A196G188-A192 VanDerWaalsContact O-CB 3.27Å; G188-A192 WeakPolarHBondContact O-CB 3.38Å; G188-A192 PolarHBondContact O-N 3.07Å; G188-A192 VanDerWaalsContact O-N 3.11Å; K189-A192 PolarHBondContact O-N 3.16Å; A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.49Å; A192-A196 PolarHBondContact O-N 2.95Å
193H81.4Confident80.6Confident126 Ų12682.3 Ų82.358%0.58344%0.437SS*.Hα-helixtrans-66.2-43176.2-172.9-80.1000112.2K189 L190 Q191 A196 Q197K189-H193 WeakPolarHBondContact O-CB 2.82Å; K189-H193 PolarHBondContact O-N 3.48Å; L190-H193 PolarHBondContact O-N 3.21Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; Q191-H193 PolarHBondContact O-N 2.91Å; H193-A196 PolarHBondContact O-N 3.42Å; H193-Q197 WeakPolarHBondContact O-CB 3.46Å; H193-Q197 PolarHBondContact O-N 3.27Å
194L78.1Confident80.9Confident40 Ų4083.4 Ų83.421%0.20944%0.436CS..Hα-helixtrans-62.6-43.6176.9-176.766.9000111.8I171 V175 L190 Q191 Q197 T198I171-L194 HydrophobicContact CG2-CD1 4.16Å; V175-L194 HydrophobicContact CG1-CD2 4.13Å; V175-L194 HydrophobicContact CG2-CD1 4.45Å; L190-L194 PolarHBondContact O-N 3.34Å; Q191-L194 PolarHBondContact O-N 3.14Å; L194-Q197 PolarHBondContact O-N 3.42Å; L194-T198 WeakPolarHBondContact O-CB 3.38Å; L194-T198 PolarHBondContact O-N 3.29Å; L194-T198 PolarHBondContact O-OG1 2.91Å
195V80.8Confident81.6Confident75 Ų7576.4 Ų76.446%0.45540%0.404SS..Hα-helixtrans-63.5-43174.9170.60000110.9Q191 T198 N199Q191-V195 WeakPolarHBondContact O-CB 3.38Å; Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; Q191-V195 PolarHBondContact O-N 2.72Å; V195-T198 PolarHBondContact O-N 3.48Å; V195-N199 WeakPolarHBondContact O-CB 3.48Å; V195-N199 PolarHBondContact O-N 2.95Å; V195-N199 PolarHBondContact O-ND2 3.06Å
196A81.2Confident82.2Confident55 Ų5570.6 Ų70.646%0.45539%0.385SS..Hα-helixtrans-62.3-45.1176.300000112.3A192 H193 N199 L200A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.49Å; A192-A196 PolarHBondContact O-N 2.95Å; H193-A196 PolarHBondContact O-N 3.42Å; A196-N199 PolarHBondContact O-N 3.05Å; A196-L200 WeakPolarHBondContact O-CB 3.18Å; A196-L200 PolarHBondContact O-N 3.48Å
197Q79.9Confident82.8Confident98 Ų9875.8 Ų75.846%0.45841%0.407SS..Hα-helixtrans-63.4-41.4176.7-173.6175.68.400112.1H193 L194 N199 L200 L201H193-Q197 WeakPolarHBondContact O-CB 3.46Å; H193-Q197 PolarHBondContact O-N 3.27Å; L194-Q197 PolarHBondContact O-N 3.42Å; Q197-N199 VanDerWaalsContact C-N 3.32Å; Q197-N199 PolarHBondContact O-N 3.09Å; Q197-L200 PolarHBondContact O-N 3.17Å; Q197-L201 HydrophobicContact CG-CD1 4.47Å; Q197-L201 WeakPolarHBondContact O-CG 3.31Å; Q197-L201 PolarHBondContact O-N 2.89Å
198T79.3Confident83.5Confident60 Ų6079.7 Ų79.737%0.36843%0.425SS..Hα-helixtrans-72.3-25.2177.9-510000112.5L194 V195 R202L194-T198 WeakPolarHBondContact O-CB 3.38Å; L194-T198 PolarHBondContact O-N 3.29Å; L194-T198 PolarHBondContact O-OG1 2.91Å; V195-T198 PolarHBondContact O-N 3.48Å; T198-R202 PolarHBondContact O-NH2 2.83Å; T198-R202 VanDerWaalsContact O-NH2 3.1Å
199N82.6Confident84.1Confident62 Ų6278.1 Ų78.133%0.33240%0.403SS..Hα-helixtrans-74.2-47.2168.3-73.7-24.5000111.1V195 A196 Q197 L201 R202 N203V195-N199 WeakPolarHBondContact O-CB 3.48Å; V195-N199 PolarHBondContact O-N 2.95Å; V195-N199 PolarHBondContact O-ND2 3.06Å; A196-N199 PolarHBondContact O-N 3.05Å; Q197-N199 VanDerWaalsContact C-N 3.32Å; Q197-N199 PolarHBondContact O-N 3.09Å; N199-L201 PolarHBondContact O-N 2.7Å; N199-R202 PolarHBondContact O-N 2.86Å; N199-R202 VanDerWaalsContact O-N 3.15Å; N199-R202 VanDerWaalsContact OD1-CZ 3.3Å; N199-R202 PolarHBondContact OD1-NH1 3.3Å; N199-R202 PolarHBondContact OD1-NH2 3.24Å; N199-N203 PolarHBondContact O-N 3.07Å; N199-N203 PolarHBondContact O-OD1 2.92Å
200L84.9Confident84.8Confident100 Ų10075.5 Ų75.552%0.52440%0.396SS..Hα-helixtrans-56.5-49-180-179.761.9000112.3A196 Q197 R202 N203 Q204A196-L200 WeakPolarHBondContact O-CB 3.18Å; A196-L200 PolarHBondContact O-N 3.48Å; Q197-L200 PolarHBondContact O-N 3.17Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 2.87Å; L200-N203 PolarHBondContact O-N 3.26Å; L200-Q204 HydrophobicContact CD1-CG 4.42Å; L200-Q204 WeakPolarHBondContact O-CB 3.27Å; L200-Q204 VanDerWaalsContact O-CG 3.29Å; L200-Q204 WeakPolarHBondContact O-CG 3.13Å; L200-Q204 PolarHBondContact O-N 2.72Å
201L83Confident85.6Confident85 Ų8580.1 Ų80.145%0.44541%0.413SS..Hα-helixtrans-61.2-37.1178.2-72.2168.3000112.7Q197 N199 A205Q197-L201 HydrophobicContact CG-CD1 4.47Å; Q197-L201 WeakPolarHBondContact O-CG 3.31Å; Q197-L201 PolarHBondContact O-N 2.89Å; N199-L201 PolarHBondContact O-N 2.7Å; L201-A205 PolarHBondContact O-N 2.86Å; L201-A205 VanDerWaalsContact O-N 3.16Å
202R83.4Confident86.3Confident35 Ų3576.3 Ų76.313%0.13240%0.398CS..Hα-helixtrans-68.7-48176.8-171.5-166.2-37.7105.317.6111.3Y157 T198 N199 L200 Q204 A205 E206Y157-R202 HydrophobicContact CD2-CG 4.3Å; Y157-R202 HydrophobicContact CE2-CG 3.75Å; T198-R202 PolarHBondContact O-NH2 2.83Å; T198-R202 VanDerWaalsContact O-NH2 3.1Å; N199-R202 PolarHBondContact O-N 2.86Å; N199-R202 VanDerWaalsContact O-N 3.15Å; N199-R202 VanDerWaalsContact OD1-CZ 3.3Å; N199-R202 PolarHBondContact OD1-NH1 3.3Å; N199-R202 PolarHBondContact OD1-NH2 3.24Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 2.87Å; R202-Q204 VanDerWaalsContact C-N 3.25Å; R202-Q204 PolarHBondContact O-N 2.78Å; R202-A205 PolarHBondContact O-N 3.22Å; R202-A205 VanDerWaalsContact O-N 3.15Å; R202-E206 WeakPolarHBondContact O-CB 3.33Å; R202-E206 PolarHBondContact O-N 3.39Å
203N87.5Confident87Confident77 Ų7777.3 Ų77.341%0.41239%0.392SS..Hα-helixtrans-61.1-37179.1-68.528000111N199 L200 E206 E207N199-N203 PolarHBondContact O-N 3.07Å; N199-N203 PolarHBondContact O-OD1 2.92Å; L200-N203 PolarHBondContact O-N 3.26Å; N203-E206 WeakPolarHBondContact O-CB 3.34Å; N203-E206 PolarHBondContact O-N 2.94Å; N203-E207 WeakPolarHBondContact O-CG 3.14Å; N203-E207 PolarHBondContact O-N 3.4Å
204Q87.9Confident87.8Confident91 Ų9178.1 Ų78.143%0.42539%0.394SS..Hα-helixtrans-62.2-46.2173.2-75.1171.2-24.200112.1L200 R202 E206 E207 E208L200-Q204 HydrophobicContact CD1-CG 4.42Å; L200-Q204 WeakPolarHBondContact O-CB 3.27Å; L200-Q204 VanDerWaalsContact O-CG 3.29Å; L200-Q204 WeakPolarHBondContact O-CG 3.13Å; L200-Q204 PolarHBondContact O-N 2.72Å; R202-Q204 VanDerWaalsContact C-N 3.25Å; R202-Q204 PolarHBondContact O-N 2.78Å; Q204-E206 VanDerWaalsContact C-N 3.29Å; Q204-E206 PolarHBondContact O-N 3.16Å; Q204-E207 PolarHBondContact O-N 3.03Å; Q204-E208 WeakPolarHBondContact O-CG 3.5Å; Q204-E208 PolarHBondContact O-N 3.43Å
205A88.1Confident88.6Confident4 Ų478.4 Ų78.43%0.03340%0.397CS..Hα-helixtrans-66.5-30.3174.800000112.9Y157 L160 L201 R202 L209Y157-A205 HydrophobicContact CD2-CB 4.18Å; L160-A205 HydrophobicContact CD1-CB 3.58Å; L201-A205 PolarHBondContact O-N 2.86Å; L201-A205 VanDerWaalsContact O-N 3.16Å; R202-A205 PolarHBondContact O-N 3.22Å; R202-A205 VanDerWaalsContact O-N 3.15Å; A205-L209 VanDerWaalsContact O-CB 3.27Å; A205-L209 WeakPolarHBondContact O-CB 3.3Å; A205-L209 PolarHBondContact O-N 3.1Å
206E91.1Very high89.3Confident73 Ų7375.4 Ų75.434%0.34138%0.378SS..Hα-helixtrans-68.1-45174.1-157.2171.5160.500111.4Y157 R202 N203 Q204 L209 I210Y157-E206 HydrophobicContact CD2-CB 4.07Å; Y157-E206 HydrophobicContact CD2-CG 4.48Å; Y157-E206 HydrophobicContact CE2-CB 3.6Å; Y157-E206 HydrophobicContact CE2-CG 3.73Å; Y157-E206 VanDerWaalsContact OH-CD 3.32Å; Y157-E206 PolarHBondContact OH-OE2 3.35Å; R202-E206 WeakPolarHBondContact O-CB 3.33Å; R202-E206 PolarHBondContact O-N 3.39Å; N203-E206 WeakPolarHBondContact O-CB 3.34Å; N203-E206 PolarHBondContact O-N 2.94Å; Q204-E206 VanDerWaalsContact C-N 3.29Å; Q204-E206 PolarHBondContact O-N 3.16Å; E206-L209 PolarHBondContact O-N 3.46Å; E206-I210 HydrophobicContact CG-CD1 4.29Å; E206-I210 WeakPolarHBondContact O-CB 3.43Å; E206-I210 WeakPolarHBondContact O-CD1 3.31Å; E206-I210 VanDerWaalsContact O-CG1 3.27Å; E206-I210 WeakPolarHBondContact O-CG1 3.39Å; E206-I210 PolarHBondContact O-N 3.34Å
207E93.5Very high89.9Confident138 Ų13876.1 Ų76.165%0.64537%0.372SS*.Hα-helixtrans-61.6-41.2172.3-75.3178.2-157.100112.1N203 Q204 K211N203-E207 WeakPolarHBondContact O-CG 3.14Å; N203-E207 PolarHBondContact O-N 3.4Å; Q204-E207 PolarHBondContact O-N 3.03Å; E207-K211 WeakPolarHBondContact O-CB 3.42Å; E207-K211 PolarHBondContact O-N 3.23Å
208E91.6Very high90.6Very high131 Ų13176.9 Ų76.961%0.61238%0.376SS*.Hα-helixtrans-67.7-38.8175.7-71.7-161151.200112.5Q204 K211 A212Q204-E208 WeakPolarHBondContact O-CG 3.5Å; Q204-E208 PolarHBondContact O-N 3.43Å; E208-K211 PolarHBondContact O-N 3.46Å; E208-A212 VanDerWaalsContact O-CB 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.41Å; E208-A212 PolarHBondContact O-N 3.45Å
209L93.9Very high91.2Very high22 Ų2274.7 Ų74.712%0.11536%0.361CS..Hα-helixtrans-62-53.1173.8172.355.6000111.8Y150 A153 R154 Y157 A205 E206 K211 A212 Q213Y150-L209 HydrophobicContact CD2-CD1 3.76Å; Y150-L209 HydrophobicContact CE2-CD1 3.54Å; A153-L209 HydrophobicContact CB-CB 4.34Å; A153-L209 HydrophobicContact CB-CD1 4.32Å; R154-L209 HydrophobicContact CB-CD1 3.88Å; Y157-L209 HydrophobicContact CD1-CD2 3.49Å; Y157-L209 VanDerWaalsContact CD1-CD2 3.49Å; Y157-L209 HydrophobicContact CE1-CD2 4.19Å; Y157-L209 HydrophobicContact CG-CD2 3.93Å; A205-L209 VanDerWaalsContact O-CB 3.27Å; A205-L209 WeakPolarHBondContact O-CB 3.3Å; A205-L209 PolarHBondContact O-N 3.1Å; E206-L209 PolarHBondContact O-N 3.46Å; L209-K211 PolarHBondContact O-N 2.77Å; L209-A212 PolarHBondContact O-N 3.01Å; L209-A212 VanDerWaalsContact O-N 3.15Å; L209-Q213 WeakPolarHBondContact O-CB 3.3Å; L209-Q213 PolarHBondContact O-N 3.46Å
210I95.7Very high91.8Very high100 Ų10072.1 Ų72.151%0.51335%0.348SS..Hα-helixtrans-58.2-38.9178.8-68.3164000110.6E206 K214E206-I210 HydrophobicContact CG-CD1 4.29Å; E206-I210 WeakPolarHBondContact O-CB 3.43Å; E206-I210 WeakPolarHBondContact O-CD1 3.31Å; E206-I210 VanDerWaalsContact O-CG1 3.27Å; E206-I210 WeakPolarHBondContact O-CG1 3.39Å; E206-I210 PolarHBondContact O-N 3.34Å; I210-K214 WeakPolarHBondContact O-CB 3.37Å; I210-K214 PolarHBondContact O-N 2.87Å
211K95.4Very high92.3Very high155 Ų15570.6 Ų70.667%0.67434%0.342SS*.Hα-helixtrans-71.3-38177.8-175.1176.8-173.5171.90113.2E207 E208 L209 V215E207-K211 WeakPolarHBondContact O-CB 3.42Å; E207-K211 PolarHBondContact O-N 3.23Å; E208-K211 PolarHBondContact O-N 3.46Å; L209-K211 PolarHBondContact O-N 2.77Å; K211-V215 WeakPolarHBondContact O-CG2 3.47Å; K211-V215 PolarHBondContact O-N 3.39Å
212A93.7Very high92.9Very high15 Ų1569.7 Ų69.712%0.12434%0.338CS..Hα-helixtrans-67.6-45.2174.300000110.7A153 E208 L209 V215 F216A153-A212 HydrophobicContact CB-CB 4.02Å; E208-A212 VanDerWaalsContact O-CB 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.41Å; E208-A212 PolarHBondContact O-N 3.45Å; L209-A212 PolarHBondContact O-N 3.01Å; L209-A212 VanDerWaalsContact O-N 3.15Å; A212-V215 PolarHBondContact O-N 3.23Å; A212-F216 PolarHBondContact O-N 2.99Å
213Q94.8Very high93.5Very high81 Ų8168.1 Ų68.138%0.37933%0.332SS..Hα-helixtrans-56.9-54.5175.9-169.7-1794.100111.2Y150 L209 V215 F216 E217Y150-Q213 HydrophobicContact CD2-CB 3.62Å; Y150-Q213 HydrophobicContact CD2-CG 4.08Å; Y150-Q213 HydrophobicContact CE2-CB 3.57Å; Y150-Q213 HydrophobicContact CE2-CG 3.66Å; L209-Q213 WeakPolarHBondContact O-CB 3.3Å; L209-Q213 PolarHBondContact O-N 3.46Å; Q213-V215 VanDerWaalsContact C-N 3.31Å; Q213-V215 PolarHBondContact O-N 3.09Å; Q213-F216 PolarHBondContact O-N 2.95Å; Q213-F216 VanDerWaalsContact O-N 3.1Å; Q213-E217 WeakPolarHBondContact O-CB 3.49Å; Q213-E217 PolarHBondContact O-N 2.87Å
214K96.5Very high93.8Very high143 Ų14368.5 Ų68.562%0.62233%0.331SS*.Hα-helixtrans-55.1-46-179.1179.5175.1176.7178.40112.2I210 F216 E217 E218I210-K214 WeakPolarHBondContact O-CB 3.37Å; I210-K214 PolarHBondContact O-N 2.87Å; K214-F216 VanDerWaalsContact C-N 3.34Å; K214-E217 PolarHBondContact O-N 2.68Å; K214-E218 VanDerWaalsContact O-CB 3.26Å; K214-E218 WeakPolarHBondContact O-CB 3.5Å; K214-E218 PolarHBondContact O-N 2.95Å
215V95.3Very high94Very high47 Ų4771 Ų7129%0.28534%0.343SS..Hα-helixtrans-74.4-25-177.3-1790000111.9K146 K211 A212 Q213 M219K146-V215 HydrophobicContact CD-CB 4.49Å; K146-V215 HydrophobicContact CD-CG1 3.86Å; K211-V215 WeakPolarHBondContact O-CG2 3.47Å; K211-V215 PolarHBondContact O-N 3.39Å; A212-V215 PolarHBondContact O-N 3.23Å; Q213-V215 VanDerWaalsContact C-N 3.31Å; Q213-V215 PolarHBondContact O-N 3.09Å; V215-M219 HydrophobicContact CG1-CE 3.77Å; V215-M219 WeakPolarHBondContact O-CE 3.49Å
216F95.1Very high94.4Very high11 Ų1173.7 Ų73.75%0.04836%0.355CS..Hα-helixtrans-69.1-52.5166.4164.4-100.9000110.8R143 K146 L147 A212 Q213 K214 E218 M219 N220R143-F216 HydrophobicContact CG-CD2 4.15Å; R143-F216 HydrophobicContact CG-CE2 3.73Å; K146-F216 HydrophobicContact CB-CB 4.27Å; K146-F216 HydrophobicContact CB-CD2 4.37Å; L147-F216 HydrophobicContact CB-CD2 3.99Å; L147-F216 HydrophobicContact CB-CE2 3.81Å; L147-F216 HydrophobicContact CD1-CD2 4.29Å; L147-F216 HydrophobicContact CD1-CE1 4.4Å; L147-F216 HydrophobicContact CD1-CE2 3.76Å; L147-F216 HydrophobicContact CD1-CZ 3.82Å; L147-F216 HydrophobicContact CG-CE2 4.25Å; A212-F216 PolarHBondContact O-N 2.99Å; Q213-F216 PolarHBondContact O-N 2.95Å; Q213-F216 VanDerWaalsContact O-N 3.1Å; K214-F216 VanDerWaalsContact C-N 3.34Å; F216-E218 PolarHBondContact O-N 3.31Å; F216-M219 CarbonylContact O-C 3.53Å; F216-M219 PolarHBondContact O-N 2.85Å; F216-M219 VanDerWaalsContact O-N 3.14Å; F216-N220 HydrophobicContact CE1-CB 4.09Å; F216-N220 HydrophobicContact CE2-CB 4.42Å; F216-N220 HydrophobicContact CZ-CB 4.02Å; F216-N220 PolarHBondContact O-N 2.9Å
217E94.1Very high94.7Very high71 Ų7170.5 Ų70.533%0.33234%0.34SS..Hα-helixtrans-65-39.3-171.1-154.563.5-110.800112.7Q213 K214 M219 N220 V221Q213-E217 WeakPolarHBondContact O-CB 3.49Å; Q213-E217 PolarHBondContact O-N 2.87Å; K214-E217 PolarHBondContact O-N 2.68Å; E217-M219 VanDerWaalsContact C-N 3.3Å; E217-M219 PolarHBondContact O-N 2.96Å; E217-N220 WeakPolarHBondContact O-CA 3.12Å; E217-N220 WeakPolarHBondContact O-CB 3.09Å; E217-N220 PolarHBondContact O-N 3.36Å; E217-N220 PolarHBondContact OE1-ND2 3.01Å; E217-V221 HydrophobicContact CG-CG2 4.5Å; E217-V221 PolarHBondContact O-N 3.44Å
218E94.4Very high94.9Very high113 Ų11366.2 Ų66.253%0.52832%0.324SS..Hα-helixtrans-53.2-45.6173.1-176.6173-162.200111.6K214 F216K214-E218 VanDerWaalsContact O-CB 3.26Å; K214-E218 WeakPolarHBondContact O-CB 3.5Å; K214-E218 PolarHBondContact O-N 2.95Å; F216-E218 PolarHBondContact O-N 3.31Å
219M93.6Very high95.1Very high14 Ų1463.9 Ų63.97%0.06932%0.322CS..Hα-helixtrans-85.3-8.8175.1-75177.2-7600114.2K142 K146 V215 F216 E217 L223K142-M219 HydrophobicContact CB-SD 4.38Å; K142-M219 HydrophobicContact CD-CE 4.47Å; K142-M219 HydrophobicContact CD-SD 3.38Å; K142-M219 WeakPolarHBondContact CD-SD 3.43Å; K142-M219 WeakPolarHBondContact CE-SD 3.4Å; K142-M219 HydrophobicContact CG-CE 4.34Å; K142-M219 HydrophobicContact CG-SD 3.64Å; K142-M219 PolarHBondContact NZ-SD 3.48Å; K146-M219 HydrophobicContact CD-CE 4.34Å; K146-M219 HydrophobicContact CG-CE 3.8Å; V215-M219 HydrophobicContact CG1-CE 3.77Å; V215-M219 WeakPolarHBondContact O-CE 3.49Å; F216-M219 CarbonylContact O-C 3.53Å; F216-M219 PolarHBondContact O-N 2.85Å; F216-M219 VanDerWaalsContact O-N 3.14Å; E217-M219 VanDerWaalsContact C-N 3.3Å; E217-M219 PolarHBondContact O-N 2.96Å; M219-L223 WeakPolarHBondContact O-CD1 3.44Å; M219-L223 WeakPolarHBondContact O-CG 3.42Å
220N94.4Very high95.3Very high9 Ų963.3 Ų63.35%0.04832%0.319CS..Hα-helixtrans-77.7-54.8175.2-178.440.2000110R143 F216 E217 D222 L223 Q224R143-N220 PolarHBondContact NE-OD1 3.02Å; R143-N220 PolarHBondContact NH2-OD1 2.7Å; F216-N220 HydrophobicContact CE1-CB 4.09Å; F216-N220 HydrophobicContact CE2-CB 4.42Å; F216-N220 HydrophobicContact CZ-CB 4.02Å; F216-N220 PolarHBondContact O-N 2.9Å; E217-N220 WeakPolarHBondContact O-CA 3.12Å; E217-N220 WeakPolarHBondContact O-CB 3.09Å; E217-N220 PolarHBondContact O-N 3.36Å; E217-N220 PolarHBondContact OE1-ND2 3.01Å; N220-D222 PolarHBondContact O-N 3.23Å; N220-L223 PolarHBondContact O-N 3.03Å; N220-Q224 PolarHBondContact ND2-NE2 3.02Å; N220-Q224 WeakPolarHBondContact O-CG 3.39Å; N220-Q224 PolarHBondContact O-N 2.75Å; N220-Q224 PolarHBondContact OD1-NE2 3.37Å
221V94.8Very high95.4Very high67 Ų6760.7 Ų60.741%0.40630%0.303SS..Hα-helixtrans-57.8-50.4-177174.90000110.8E217 L223 Q224 E225E217-V221 HydrophobicContact CG-CG2 4.5Å; E217-V221 PolarHBondContact O-N 3.44Å; V221-L223 VanDerWaalsContact C-N 3.28Å; V221-L223 PolarHBondContact O-N 3.42Å; V221-Q224 PolarHBondContact O-N 2.92Å; V221-Q224 VanDerWaalsContact O-N 3.11Å; V221-E225 PolarHBondContact O-N 3.45Å; V221-E225 VanDerWaalsContact O-N 3.09Å
222D95.3Very high95.5Very high67 Ų6758.4 Ų58.436%0.35830%0.298SS..Hα-helixtrans-48.5-49.8176.3-64.9-7.3000112.2R139 N220 E225 E226R139-D222 VanDerWaalsContact NH2-CB 3.26Å; R139-D222 IonicContact NH2-OD2 2.72Å; R139-D222 PolarHBondContact NH2-OD2 3.42Å; N220-D222 PolarHBondContact O-N 3.23Å; D222-E225 PolarHBondContact O-N 2.97Å; D222-E226 WeakPolarHBondContact O-CB 3.32Å; D222-E226 WeakPolarHBondContact O-CG 3.45Å; D222-E226 PolarHBondContact O-N 3.33Å
223L96.4Very high95.7Very high1 Ų160 Ų601%0.00531%0.309CS..Hα-helixtrans-78.5-25.6-174.7-68.6174000112.4F44 I136 R139 I140 R143 M219 N220 V221 E225 L227F44-L223 HydrophobicContact CE2-CB 3.67Å; F44-L223 HydrophobicContact CE2-CD1 4.42Å; F44-L223 HydrophobicContact CZ-CB 4.17Å; F44-L223 HydrophobicContact CZ-CD1 4.14Å; I136-L223 HydrophobicContact CG2-CD2 4.29Å; R139-L223 HydrophobicContact CB-CD1 4.18Å; R139-L223 HydrophobicContact CB-CD2 4.02Å; I140-L223 HydrophobicContact CG1-CD1 4.38Å; R143-L223 HydrophobicContact CB-CD1 4Å; M219-L223 WeakPolarHBondContact O-CD1 3.44Å; M219-L223 WeakPolarHBondContact O-CG 3.42Å; N220-L223 PolarHBondContact O-N 3.03Å; V221-L223 VanDerWaalsContact C-N 3.28Å; V221-L223 PolarHBondContact O-N 3.42Å; L223-E225 VanDerWaalsContact C-N 3.29Å; L223-L227 HydrophobicContact CB-CD1 4.32Å; L223-L227 HydrophobicContact CB-CG 4.49Å; L223-L227 VanDerWaalsContact O-CB 3.31Å; L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 2.94Å; L223-L227 VanDerWaalsContact O-N 3.08Å
224Q93.7Very high95.8Very high85 Ų8558.8 Ų58.840%0.39730%0.301SS..Hα-helixtrans-69.1-27.7170.9-75-175.3-10.700111.8D41 F44 N220 V221 P228D41-Q224 PolarHBondContact OD2-NE2 3.44Å; F44-Q224 HydrophobicContact CD2-CG 4.11Å; N220-Q224 PolarHBondContact ND2-NE2 3.02Å; N220-Q224 WeakPolarHBondContact O-CG 3.39Å; N220-Q224 PolarHBondContact O-N 2.75Å; N220-Q224 PolarHBondContact OD1-NE2 3.37Å; V221-Q224 PolarHBondContact O-N 2.92Å; V221-Q224 VanDerWaalsContact O-N 3.11Å; Q224-P228 WeakPolarHBondContact O-CD 3.38Å; Q224-P228 VanDerWaalsContact O-CG 3.3Å; Q224-P228 WeakPolarHBondContact O-CG 3.47Å
225E93.6Very high95.9Very high143 Ų14356 Ų5667%0.66830%0.295SS*.Hα-helixtrans-84.9-44.6171.4-64.9-171.7179.200112.8V221 D222 L223 S229V221-E225 PolarHBondContact O-N 3.45Å; V221-E225 VanDerWaalsContact O-N 3.09Å; D222-E225 PolarHBondContact O-N 2.97Å; L223-E225 VanDerWaalsContact C-N 3.29Å; E225-S229 WeakPolarHBondContact O-CB 3.48Å; E225-S229 PolarHBondContact O-N 3.21Å
226E96.5Very high96Very high62 Ų6255.4 Ų55.429%0.2930%0.299SS..Hα-helixtrans-70.1-41.7-175.1-76.9178.6-139.800113.8R139 D222 S229 L230R139-E226 IonicContact CZ-OE1 3.93Å; R139-E226 VanDerWaalsContact CZ-OE1 3.24Å; R139-E226 IonicContact CZ-OE2 2.89Å; R139-E226 IonicContact NH1-OE1 2.87Å; R139-E226 PolarHBondContact NH1-OE1 3.31Å; R139-E226 IonicContact NH1-OE2 2.7Å; R139-E226 PolarHBondContact NH1-OE2 3.34Å; R139-E226 IonicContact NH2-OE1 2.61Å; R139-E226 PolarHBondContact NH2-OE1 3.01Å; R139-E226 IonicContact NH2-OE2 2.85Å; D222-E226 WeakPolarHBondContact O-CB 3.32Å; D222-E226 WeakPolarHBondContact O-CG 3.45Å; D222-E226 PolarHBondContact O-N 3.33Å; E226-S229 WeakPolarHBondContact O-CB 3.32Å; E226-S229 PolarHBondContact O-N 3.07Å; E226-L230 WeakPolarHBondContact O-CB 3.3Å; E226-L230 PolarHBondContact O-N 3.49Å
227L97.2Very high96.1Very high6 Ų655.7 Ų55.73%0.03130%0.3CS..Hα-helixtrans-66.1-43.6-174.2-63.7173.6000113.1F44 C47 V48 F51 I136 I140 L223 S229 W231F44-L227 HydrophobicContact CD2-CD1 4.46Å; F44-L227 HydrophobicContact CE2-CD1 3.74Å; F44-L227 HydrophobicContact CZ-CD1 3.84Å; C47-L227 HydrophobicContact CB-CB 4.06Å; C47-L227 HydrophobicContact CB-CD1 4.11Å; V48-L227 HydrophobicContact CG2-CD1 4.39Å; F51-L227 HydrophobicContact CB-CD2 4.18Å; F51-L227 HydrophobicContact CD2-CD2 3.76Å; F51-L227 HydrophobicContact CE2-CD2 4.47Å; F51-L227 HydrophobicContact CG-CD2 4.12Å; I136-L227 HydrophobicContact CG2-CD2 3.49Å; I136-L227 VanDerWaalsContact CG2-CD2 3.49Å; I140-L227 HydrophobicContact CD1-CD1 4.39Å; I140-L227 HydrophobicContact CD1-CD2 3.95Å; I140-L227 HydrophobicContact CG1-CD1 4.3Å; I140-L227 HydrophobicContact CG1-CD2 4.41Å; L223-L227 HydrophobicContact CB-CD1 4.32Å; L223-L227 HydrophobicContact CB-CG 4.49Å; L223-L227 VanDerWaalsContact O-CB 3.31Å; L223-L227 WeakPolarHBondContact O-CB 3.46Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 2.94Å; L223-L227 VanDerWaalsContact O-N 3.08Å; L227-S229 VanDerWaalsContact C-N 3.34Å; L227-W231 VanDerWaalsContact O-CB 3.27Å; L227-W231 WeakPolarHBondContact O-CB 3.28Å; L227-W231 PolarHBondContact O-N 3.42Å
228P96.3Very high96.3Very high47 Ų4754.7 Ų54.731%0.30529%0.294SS..Hα-helixtrans-65.8-34.6172.1-22.435.4000113.1Q224 W231 N232Q224-P228 WeakPolarHBondContact O-CD 3.38Å; Q224-P228 VanDerWaalsContact O-CG 3.3Å; Q224-P228 WeakPolarHBondContact O-CG 3.47Å; P228-W231 PolarHBondContact O-N 3.04Å; P228-N232 WeakPolarHBondContact O-CB 3.38Å; P228-N232 VanDerWaalsContact O-CG 3.23Å; P228-N232 PolarHBondContact O-N 3.33Å; P228-N232 PolarHBondContact O-ND2 2.86Å; P228-N232 VanDerWaalsContact O-ND2 3.16Å
229S96.8Very high96.5Very high82 Ų8253.2 Ų53.257%0.57329%0.292SS*.Hα-helixtrans-65.1-51177.3-172.80000111.6E225 E226 L227 W231 N232 S233E225-S229 WeakPolarHBondContact O-CB 3.48Å; E225-S229 PolarHBondContact O-N 3.21Å; E226-S229 WeakPolarHBondContact O-CB 3.32Å; E226-S229 PolarHBondContact O-N 3.07Å; L227-S229 VanDerWaalsContact C-N 3.34Å; S229-W231 VanDerWaalsContact C-N 3.35Å; S229-W231 PolarHBondContact O-N 3.04Å; S229-N232 PolarHBondContact O-N 3.11Å; S229-S233 PolarHBondContact O-N 3.21Å
230L97.8Very high96.6Very high10 Ų1056.9 Ų56.95%0.05231%0.312CS..Hα-helixtrans-59.9-44.1173.5178.964.4000111.1F51 Q54 F133 I136 E226 N232 S233F51-L230 HydrophobicContact CD2-CD2 3.83Å; F51-L230 HydrophobicContact CE2-CD2 3.85Å; Q54-L230 PolarHBondContact NE2-O 3.47Å; F133-L230 HydrophobicContact CD1-CD2 4.29Å; F133-L230 HydrophobicContact CE1-CD2 3.94Å; F133-L230 HydrophobicContact CE2-CD1 4.27Å; F133-L230 HydrophobicContact CZ-CD1 4.16Å; F133-L230 HydrophobicContact CZ-CD2 4.05Å; F133-L230 HydrophobicContact CZ-CG 4.27Å; I136-L230 HydrophobicContact CD1-CD2 3.76Å; E226-L230 WeakPolarHBondContact O-CB 3.3Å; E226-L230 PolarHBondContact O-N 3.49Å; L230-N232 VanDerWaalsContact C-N 3.33Å; L230-N232 PolarHBondContact O-N 3.01Å; L230-S233 PolarHBondContact O-N 3.36Å; L230-S233 PolarHBondContact O-OG 2.98Å
231W98Very high96.7Very high46 Ų4656.6 Ų56.617%0.17431%0.311CS..Hα-helixtrans-56.5-47.8176178.3-120.5000111.1N50 K53 Q54 L227 P228 S229 S233 R234N50-W231 HydrophobicContact CB-CD2 3.83Å; N50-W231 HydrophobicContact CB-CE3 3.84Å; N50-W231 HydrophobicContact CB-CG 4.36Å; N50-W231 HydrophobicContact CB-CH2 4.3Å; N50-W231 HydrophobicContact CB-CZ2 4.27Å; N50-W231 HydrophobicContact CB-CZ3 4.09Å; N50-W231 WeakPolarHBondContact O-CZ3 3.44Å; K53-W231 HydrophobicContact CD-CH2 4.45Å; Q54-W231 HydrophobicContact CB-CE3 3.94Å; Q54-W231 HydrophobicContact CB-CZ3 3.9Å; Q54-W231 HydrophobicContact CG-CE3 4.25Å; Q54-W231 HydrophobicContact CG-CZ3 4.46Å; L227-W231 VanDerWaalsContact O-CB 3.27Å; L227-W231 WeakPolarHBondContact O-CB 3.28Å; L227-W231 PolarHBondContact O-N 3.42Å; P228-W231 PolarHBondContact O-N 3.04Å; S229-W231 VanDerWaalsContact C-N 3.35Å; S229-W231 PolarHBondContact O-N 3.04Å; W231-S233 VanDerWaalsContact C-N 3.34Å; W231-S233 PolarHBondContact O-N 3.37Å; W231-R234 WeakPolarHBondContact O-CB 3.45Å; W231-R234 WeakPolarHBondContact O-CD 3.45Å; W231-R234 WeakPolarHBondContact O-CG 3.46Å; W231-R234 PolarHBondContact O-N 3.41Å; W231-R234 PolarHBondContact O-NH1 2.71Å
232N97.4Very high96.9Very high107 Ų10758.7 Ų58.757%0.57231%0.314SS*.Hα-helixtrans-65.7-32.4179.9-71.1-27.7000113.5P228 S229 L230 R234 V235P228-N232 WeakPolarHBondContact O-CB 3.38Å; P228-N232 VanDerWaalsContact O-CG 3.23Å; P228-N232 PolarHBondContact O-N 3.33Å; P228-N232 PolarHBondContact O-ND2 2.86Å; P228-N232 VanDerWaalsContact O-ND2 3.16Å; S229-N232 PolarHBondContact O-N 3.11Å; L230-N232 VanDerWaalsContact C-N 3.33Å; L230-N232 PolarHBondContact O-N 3.01Å; N232-R234 PolarHBondContact O-N 2.94Å; N232-R234 VanDerWaalsContact O-N 3.16Å; N232-V235 PolarHBondContact O-N 2.66Å
233S97.8Very high97Very high48 Ų4861.8 Ų61.834%0.33633%0.327SS..Hα-helixtrans-61.2-24.8178.882.80000113.7S229 L230 W231 V235 G236 F237S229-S233 PolarHBondContact O-N 3.21Å; L230-S233 PolarHBondContact O-N 3.36Å; L230-S233 PolarHBondContact O-OG 2.98Å; W231-S233 VanDerWaalsContact C-N 3.34Å; W231-S233 PolarHBondContact O-N 3.37Å; S233-V235 PolarHBondContact O-N 2.84Å; S233-V235 VanDerWaalsContact O-N 3.07Å; S233-G236 PolarHBondContact O-N 3.44Å; S233-F237 WeakPolarHBondContact O-CB 3.41Å; S233-F237 PolarHBondContact O-N 3.38Å
234R97.9Very high97Very high56 Ų5663.6 Ų63.621%0.21134%0.339CS..Hα-helixtrans-51.6-34.4179.883.5-165.5-179.9-73.71.5113.9Q54 Y129 W231 N232 Y238Q54-R234 HydrophobicContact CG-CB 4.32Å; Y129-R234 WeakPolarHBondContact OH-CA 3.43Å; Y129-R234 WeakPolarHBondContact OH-CB 3.26Å; W231-R234 WeakPolarHBondContact O-CB 3.45Å; W231-R234 WeakPolarHBondContact O-CD 3.45Å; W231-R234 WeakPolarHBondContact O-CG 3.46Å; W231-R234 PolarHBondContact O-N 3.41Å; W231-R234 PolarHBondContact O-NH1 2.71Å; N232-R234 PolarHBondContact O-N 2.94Å; N232-R234 VanDerWaalsContact O-N 3.16Å; R234-Y238 HydrophobicContact CB-CE2 4.12Å; R234-Y238 HydrophobicContact CG-CE2 4.23Å; R234-Y238 WeakPolarHBondContact O-CD2 3.3Å; R234-Y238 VanDerWaalsContact O-CG 3.23Å; R234-Y238 PolarHBondContact O-N 2.71Å
235V98.1Very high97.3Very high83 Ų8360.5 Ų60.550%0.50333%0.325SS..Hα-helixtrans-70-51.1-176.7-177.30000110.4N232 S233 F237 Y238 V239N232-V235 PolarHBondContact O-N 2.66Å; S233-V235 PolarHBondContact O-N 2.84Å; S233-V235 VanDerWaalsContact O-N 3.07Å; V235-F237 VanDerWaalsContact C-N 3.3Å; V235-F237 PolarHBondContact O-N 2.88Å; V235-Y238 PolarHBondContact O-N 3.46Å; V235-V239 WeakPolarHBondContact O-CB 3.42Å; V235-V239 VanDerWaalsContact O-CG2 3.28Å; V235-V239 WeakPolarHBondContact O-CG2 3.47Å; V235-V239 PolarHBondContact O-N 3.09Å
236G96.9Very high97.5Very high36 Ų3656.2 Ų56.237%0.37132%0.315SS..Hα-helixtrans-63.4-37.7175.300000112S233 N240S233-G236 PolarHBondContact O-N 3.44Å; G236-N240 VanDerWaalsContact O-CB 3.3Å; G236-N240 WeakPolarHBondContact O-CB 3.35Å; G236-N240 PolarHBondContact O-N 3.05Å; G236-N240 PolarHBondContact O-ND2 3.4Å; G236-N240 PolarHBondContact O-OD1 2.89Å
237F97.9Very high97.6Very high17 Ų1755.1 Ų55.18%0.07532%0.32CS..Hα-helixtrans-59.8-52175.1170.6-104.5000112.9T125 M126 Y129 S233 V235 T241T125-F237 HydrophobicContact CG2-CE2 4.29Å; M126-F237 HydrophobicContact CB-CZ 4.45Å; M126-F237 HydrophobicContact CE-CE1 4.18Å; M126-F237 HydrophobicContact CE-CZ 3.67Å; M126-F237 HydrophobicContact SD-CE1 4.11Å; M126-F237 HydrophobicContact SD-CZ 3.59Å; M126-F237 VanDerWaalsContact SD-CZ 3.59Å; Y129-F237 VanDerWaalsContact CB-CE2 3.4Å; Y129-F237 AromaticContact CD1-CD1 3.64Å; Y129-F237 HydrophobicContact CD1-CD1 3.64Å; Y129-F237 AromaticContact CD1-CD2 3.87Å; Y129-F237 HydrophobicContact CD1-CD2 3.87Å; Y129-F237 AromaticContact CD1-CE1 3.44Å; Y129-F237 HydrophobicContact CD1-CE1 3.44Å; Y129-F237 VanDerWaalsContact CD1-CE1 3.44Å; Y129-F237 AromaticContact CD1-CE2 3.68Å; Y129-F237 HydrophobicContact CD1-CE2 3.68Å; Y129-F237 AromaticContact CD1-CG 3.85Å; Y129-F237 HydrophobicContact CD1-CG 3.85Å; Y129-F237 AromaticContact CD1-CZ 3.46Å; Y129-F237 HydrophobicContact CD1-CZ 3.46Å; Y129-F237 VanDerWaalsContact CD1-CZ 3.46Å; Y129-F237 HydrophobicContact CD2-CB 4.03Å; Y129-F237 HydrophobicContact CD2-CD1 4.23Å; Y129-F237 AromaticContact CD2-CD2 3.68Å; Y129-F237 HydrophobicContact CD2-CD2 3.68Å; Y129-F237 HydrophobicContact CD2-CE2 4.25Å; Y129-F237 AromaticContact CD2-CG 3.67Å; Y129-F237 HydrophobicContact CD2-CG 3.67Å; Y129-F237 AromaticContact CE1-CD1 3.38Å; Y129-F237 HydrophobicContact CE1-CD1 3.38Å; Y129-F237 HydrophobicContact CE1-CD2 4.37Å; Y129-F237 AromaticContact CE1-CE1 3.46Å; Y129-F237 HydrophobicContact CE1-CE1 3.46Å; Y129-F237 VanDerWaalsContact CE1-CE1 3.46Å; Y129-F237 HydrophobicContact CE1-CE2 4.43Å; Y129-F237 AromaticContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CG 3.87Å; Y129-F237 HydrophobicContact CE1-CZ 4Å; Y129-F237 HydrophobicContact CE2-CB 3.78Å; Y129-F237 AromaticContact CE2-CD1 4Å; Y129-F237 HydrophobicContact CE2-CD1 4Å; Y129-F237 HydrophobicContact CE2-CD2 4.2Å; Y129-F237 AromaticContact CE2-CG 3.69Å; Y129-F237 HydrophobicContact CE2-CG 3.69Å; Y129-F237 HydrophobicContact CG-CD1 4.04Å; Y129-F237 AromaticContact CG-CD2 3.47Å; Y129-F237 HydrophobicContact CG-CD2 3.47Å; Y129-F237 VanDerWaalsContact CG-CD2 3.47Å; Y129-F237 HydrophobicContact CG-CE1 4.1Å; Y129-F237 AromaticContact CG-CE2 3.54Å; Y129-F237 HydrophobicContact CG-CE2 3.54Å; Y129-F237 AromaticContact CG-CG 3.73Å; Y129-F237 HydrophobicContact CG-CG 3.73Å; Y129-F237 AromaticContact CG-CZ 3.86Å; Y129-F237 HydrophobicContact CG-CZ 3.86Å; Y129-F237 AromaticContact CZ-CD1 3.54Å; Y129-F237 AromaticContact CZ-CG 3.76Å; S233-F237 WeakPolarHBondContact O-CB 3.41Å; S233-F237 PolarHBondContact O-N 3.38Å; V235-F237 VanDerWaalsContact C-N 3.3Å; V235-F237 PolarHBondContact O-N 2.88Å; F237-T241 WeakPolarHBondContact O-CB 3.34Å; F237-T241 PolarHBondContact O-N 2.92Å; F237-T241 PolarHBondContact O-OG1 3.03Å
238Y97.6Very high97.6Very high49 Ų4955.8 Ų55.819%0.19232%0.323CS..Hα-helixtrans-64.7-43.5178.7-63.9-38.2000111.7E57 L61 R234 V235 T241 F242E57-Y238 WeakPolarHBondContact CB-OH 3.31Å; L61-Y238 HydrophobicContact CD2-CD1 3.76Å; L61-Y238 HydrophobicContact CD2-CE1 3.89Å; R234-Y238 HydrophobicContact CB-CE2 4.12Å; R234-Y238 HydrophobicContact CG-CE2 4.23Å; R234-Y238 WeakPolarHBondContact O-CD2 3.3Å; R234-Y238 VanDerWaalsContact O-CG 3.23Å; R234-Y238 PolarHBondContact O-N 2.71Å; V235-Y238 PolarHBondContact O-N 3.46Å; Y238-T241 PolarHBondContact O-N 3.43Å; Y238-F242 WeakPolarHBondContact O-CD2 3.25Å; Y238-F242 PolarHBondContact O-N 3.5Å
239V98Very high97.7Very high82 Ų8256.7 Ų56.750%0.49732%0.323SS..Hα-helixtrans-58.7-51.2177.5168.90000111V235 T241 F242 Q243V235-V239 WeakPolarHBondContact O-CB 3.42Å; V235-V239 VanDerWaalsContact O-CG2 3.28Å; V235-V239 WeakPolarHBondContact O-CG2 3.47Å; V235-V239 PolarHBondContact O-N 3.09Å; V239-T241 PolarHBondContact O-N 3.5Å; V239-F242 PolarHBondContact O-N 3.42Å; V239-Q243 WeakPolarHBondContact O-CB 3.19Å; V239-Q243 PolarHBondContact O-N 3.46Å
240N96.4Very high97.8Very high92 Ų9259 Ų5949%0.49233%0.325SS..Hα-helixtrans-61.5-43.8179.7-68.5-7.9000111.5G236 Q243 S244G236-N240 VanDerWaalsContact O-CB 3.3Å; G236-N240 WeakPolarHBondContact O-CB 3.35Å; G236-N240 PolarHBondContact O-N 3.05Å; G236-N240 PolarHBondContact O-ND2 3.4Å; G236-N240 PolarHBondContact O-OD1 2.89Å; N240-Q243 PolarHBondContact O-N 3.34Å; N240-S244 PolarHBondContact O-N 3.34Å; N240-S244 PolarHBondContact O-OG 3.17Å
241T96.9Very high97.8Very high2 Ų262 Ų621%0.01234%0.342CS..Hα-helixtrans-59.7-51.5180-57.20000111.4M126 F237 Y238 V239 S244 I245M126-T241 HydrophobicContact CE-CG2 3.75Å; F237-T241 WeakPolarHBondContact O-CB 3.34Å; F237-T241 PolarHBondContact O-N 2.92Å; F237-T241 PolarHBondContact O-OG1 3.03Å; Y238-T241 PolarHBondContact O-N 3.43Å; V239-T241 PolarHBondContact O-N 3.5Å; T241-S244 PolarHBondContact O-N 2.61Å; T241-I245 HydrophobicContact CG2-CD1 4.03Å; T241-I245 WeakPolarHBondContact O-CG1 3.39Å; T241-I245 PolarHBondContact O-N 2.97Å
242F97.9Very high97.9Very high111 Ų11160.1 Ų60.149%0.48733%0.334SS..Hα-helixtrans-71.7-31.1-179.9-79.4-72.2000112.8L61 Y238 V239 I245 A246L61-F242 HydrophobicContact CD1-CE2 4.13Å; L61-F242 HydrophobicContact CD1-CZ 3.67Å; L61-F242 HydrophobicContact CD2-CE2 4.05Å; L61-F242 HydrophobicContact CD2-CZ 4.44Å; Y238-F242 WeakPolarHBondContact O-CD2 3.25Å; Y238-F242 PolarHBondContact O-N 3.5Å; V239-F242 PolarHBondContact O-N 3.42Å; F242-I245 PolarHBondContact O-N 3.34Å; F242-A246 VanDerWaalsContact O-CB 3.25Å; F242-A246 WeakPolarHBondContact O-CB 3.4Å; F242-A246 PolarHBondContact O-N 2.86Å
243Q97.7Very high97.9Very high132 Ų13260 Ų6062%0.61733%0.33SS*.Hα-helixtrans-65.5-40.5173.2-173.3174.27.600111.8V239 N240 G247V239-Q243 WeakPolarHBondContact O-CB 3.19Å; V239-Q243 PolarHBondContact O-N 3.46Å; N240-Q243 PolarHBondContact O-N 3.34Å; Q243-G247 PolarHBondContact O-N 2.85Å
244S97.6Very high98Very high39 Ų3963 Ų6327%0.27334%0.337SS..Hα-helixtrans-63.9-47172.5-730000112.1N240 T241 L248N240-S244 PolarHBondContact O-N 3.34Å; N240-S244 PolarHBondContact O-OG 3.17Å; T241-S244 PolarHBondContact O-N 2.61Å; S244-L248 WeakPolarHBondContact O-CB 3.5Å; S244-L248 WeakPolarHBondContact O-CG 3.39Å; S244-L248 PolarHBondContact O-N 3.17Å; S244-L248 VanDerWaalsContact O-N 3.08Å
245I98.3Very high98Very high20 Ų2063.3 Ų63.310%0.10334%0.341CS..Hα-helixtrans-60.4-52.1178.3-66164.7000110.5L65 L118 A122 T241 F242 G247 L248 E249L65-I245 HydrophobicContact CD1-CD1 3.89Å; L65-I245 HydrophobicContact CD1-CG1 4.49Å; L118-I245 HydrophobicContact CD2-CB 4.48Å; L118-I245 HydrophobicContact CD2-CG1 4.22Å; L118-I245 HydrophobicContact CD2-CG2 4.28Å; A122-I245 HydrophobicContact CB-CD1 4.18Å; A122-I245 HydrophobicContact CB-CG1 3.69Å; T241-I245 HydrophobicContact CG2-CD1 4.03Å; T241-I245 WeakPolarHBondContact O-CG1 3.39Å; T241-I245 PolarHBondContact O-N 2.97Å; F242-I245 PolarHBondContact O-N 3.34Å; I245-G247 PolarHBondContact O-N 3.44Å; I245-L248 PolarHBondContact O-N 3.2Å; I245-E249 VanDerWaalsContact O-CB 3.32Å; I245-E249 WeakPolarHBondContact O-CB 3.41Å; I245-E249 PolarHBondContact O-N 3.46Å
246A98.4Very high98Very high53 Ų5360 Ų6044%0.43832%0.321SS..Hα-helixtrans-64.2-39.6-177.500000112.8F242 E249 E250F242-A246 VanDerWaalsContact O-CB 3.25Å; F242-A246 WeakPolarHBondContact O-CB 3.4Å; F242-A246 PolarHBondContact O-N 2.86Å; A246-E249 PolarHBondContact O-N 2.95Å; A246-E250 WeakPolarHBondContact O-CB 3.29Å; A246-E250 PolarHBondContact O-N 3.28Å
247G98.4Very high98.1Very high39 Ų3961.7 Ų61.740%0.40233%0.326SS..Hα-helixtrans-67.7-33.4176.700000113.4Q243 I245 N251Q243-G247 PolarHBondContact O-N 2.85Å; I245-G247 PolarHBondContact O-N 3.44Å; G247-N251 WeakPolarHBondContact O-CB 3.46Å; G247-N251 PolarHBondContact O-N 2.93Å
248L98.4Very high98.1Very high20 Ų2065.4 Ų65.411%0.10534%0.343CS..Hα-helixtrans-71.6-42.2172.4-69.7173.1000111.6Y114 K117 L118 Q121 S244 I245 N251 F252Y114-L248 HydrophobicContact CD2-CB 4.18Å; Y114-L248 HydrophobicContact CE2-CB 3.91Å; K117-L248 HydrophobicContact CB-CD1 3.82Å; K117-L248 HydrophobicContact CB-CD2 3.62Å; K117-L248 HydrophobicContact CB-CG 4.37Å; K117-L248 HydrophobicContact CD-CD2 3.79Å; K117-L248 HydrophobicContact CG-CD2 4.22Å; L118-L248 HydrophobicContact CD2-CB 4.44Å; L118-L248 HydrophobicContact CD2-CD1 4.05Å; L118-L248 HydrophobicContact CG-CD1 4.35Å; Q121-L248 HydrophobicContact CB-CD1 4.35Å; S244-L248 WeakPolarHBondContact O-CB 3.5Å; S244-L248 WeakPolarHBondContact O-CG 3.39Å; S244-L248 PolarHBondContact O-N 3.17Å; S244-L248 VanDerWaalsContact O-N 3.08Å; I245-L248 PolarHBondContact O-N 3.2Å; L248-N251 PolarHBondContact O-N 3.46Å; L248-F252 VanDerWaalsContact O-CB 3.26Å; L248-F252 WeakPolarHBondContact O-CB 3.04Å; L248-F252 PolarHBondContact O-N 2.92Å
249E98.3Very high98.1Very high66 Ų6664 Ų6431%0.30834%0.338SS..Hα-helixtrans-66.5-42.4179.1-171.3167.9-134.600111.8Y68 Y114 I245 A246 F252 H253Y68-E249 VanDerWaalsContact OH-CD 3.29Å; Y68-E249 PolarHBondContact OH-OE1 3.11Å; Y114-E249 HydrophobicContact CE2-CB 4.43Å; I245-E249 VanDerWaalsContact O-CB 3.32Å; I245-E249 WeakPolarHBondContact O-CB 3.41Å; I245-E249 PolarHBondContact O-N 3.46Å; A246-E249 PolarHBondContact O-N 2.95Å; E249-F252 PolarHBondContact O-N 3.43Å; E249-H253 PolarHBondContact O-CD2 3.35Å; E249-H253 VanDerWaalsContact O-CD2 3.25Å; E249-H253 PolarHBondContact O-N 3.47Å
250E98.6Very high98.1Very high131 Ų13164.5 Ų64.561%0.61234%0.338SS*.Hα-helixtrans-57.1-52.4171.9-171.4-156.5141.100110.7A246 F252 H253 K254A246-E250 WeakPolarHBondContact O-CB 3.29Å; A246-E250 PolarHBondContact O-N 3.28Å; E250-F252 PolarHBondContact O-N 3.49Å; E250-H253 PolarHBondContact O-N 3.34Å; E250-K254 WeakPolarHBondContact O-CB 3.44Å; E250-K254 PolarHBondContact O-N 3.03Å
251N98.3Very high98.2Very high74 Ų7464.8 Ų64.840%0.39634%0.337SS..Hα-helixtrans-63.5-41.8-179-175.987.1000111.9G247 L248 K254 E255G247-N251 WeakPolarHBondContact O-CB 3.46Å; G247-N251 PolarHBondContact O-N 2.93Å; L248-N251 PolarHBondContact O-N 3.46Å; N251-K254 PolarHBondContact O-N 3Å; N251-E255 WeakPolarHBondContact O-CG 3.43Å; N251-E255 PolarHBondContact O-N 3.5Å
252F98.8Very high98.3Very high5 Ų568.3 Ų68.32%0.02236%0.355CS..Hα-helixtrans-59.9-53.9176.4169.5-103.3000111.8L110 W111 Y114 L248 E249 E250 K254 E255 M256L110-F252 HydrophobicContact CD1-CD2 4.15Å; L110-F252 HydrophobicContact CD2-CD2 4.35Å; L110-F252 HydrophobicContact CD2-CE2 4.4Å; L110-F252 HydrophobicContact CG-CD2 3.84Å; L110-F252 HydrophobicContact CG-CE2 3.98Å; W111-F252 AromaticContact CD2-CE2 3.9Å; W111-F252 HydrophobicContact CD2-CE2 3.9Å; W111-F252 AromaticContact CD2-CZ 3.72Å; W111-F252 HydrophobicContact CD2-CZ 3.72Å; W111-F252 AromaticContact CE2-CZ 3.83Å; W111-F252 HydrophobicContact CE3-CE1 4.41Å; W111-F252 AromaticContact CE3-CE2 3.79Å; W111-F252 HydrophobicContact CE3-CE2 3.79Å; W111-F252 AromaticContact CE3-CZ 3.49Å; W111-F252 HydrophobicContact CE3-CZ 3.49Å; W111-F252 VanDerWaalsContact CE3-CZ 3.49Å; W111-F252 HydrophobicContact CG-CE2 4.39Å; W111-F252 AromaticContact CH2-CE1 3.96Å; W111-F252 HydrophobicContact CH2-CE1 3.96Å; W111-F252 AromaticContact CH2-CZ 3.51Å; W111-F252 HydrophobicContact CH2-CZ 3.51Å; W111-F252 AromaticContact CZ2-CZ 3.75Å; W111-F252 HydrophobicContact CZ2-CZ 3.75Å; W111-F252 AromaticContact CZ3-CE1 3.91Å; W111-F252 HydrophobicContact CZ3-CE1 3.91Å; W111-F252 HydrophobicContact CZ3-CE2 4.14Å; W111-F252 AromaticContact CZ3-CZ 3.38Å; W111-F252 HydrophobicContact CZ3-CZ 3.38Å; Y114-F252 HydrophobicContact CD1-CB 4.16Å; Y114-F252 AromaticContact CD1-CD1 3.89Å; Y114-F252 HydrophobicContact CD1-CD1 3.89Å; Y114-F252 AromaticContact CD1-CD2 3.6Å; Y114-F252 HydrophobicContact CD1-CD2 3.6Å; Y114-F252 HydrophobicContact CD1-CE1 4.19Å; Y114-F252 AromaticContact CD1-CE2 3.92Å; Y114-F252 HydrophobicContact CD1-CE2 3.92Å; Y114-F252 AromaticContact CD1-CG 3.58Å; Y114-F252 HydrophobicContact CD1-CG 3.58Å; Y114-F252 HydrophobicContact CD1-CZ 4.21Å; Y114-F252 HydrophobicContact CD2-CB 3.58Å; Y114-F252 HydrophobicContact CD2-CD2 4.31Å; Y114-F252 AromaticContact CD2-CG 3.96Å; Y114-F252 HydrophobicContact CD2-CG 3.96Å; Y114-F252 HydrophobicContact CE1-CB 4.38Å; Y114-F252 AromaticContact CE1-CD1 3.79Å; Y114-F252 HydrophobicContact CE1-CD1 3.79Å; Y114-F252 HydrophobicContact CE1-CD2 4.35Å; Y114-F252 HydrophobicContact CE1-CE1 4.17Å; Y114-F252 AromaticContact CE1-CG 3.9Å; Y114-F252 HydrophobicContact CE1-CG 3.9Å; Y114-F252 HydrophobicContact CE2-CB 3.85Å; Y114-F252 HydrophobicContact CE2-CG 4.27Å; Y114-F252 HydrophobicContact CG-CB 3.74Å; Y114-F252 HydrophobicContact CG-CD1 4.34Å; Y114-F252 AromaticContact CG-CD2 3.56Å; Y114-F252 HydrophobicContact CG-CD2 3.56Å; Y114-F252 HydrophobicContact CG-CE2 4.27Å; Y114-F252 AromaticContact CG-CG 3.6Å; Y114-F252 HydrophobicContact CG-CG 3.6Å; L248-F252 VanDerWaalsContact O-CB 3.26Å; L248-F252 WeakPolarHBondContact O-CB 3.04Å; L248-F252 PolarHBondContact O-N 2.92Å; E249-F252 PolarHBondContact O-N 3.43Å; E250-F252 PolarHBondContact O-N 3.49Å; F252-K254 VanDerWaalsContact C-N 3.28Å; F252-K254 PolarHBondContact O-N 2.91Å; F252-E255 PolarHBondContact O-N 2.9Å; F252-M256 HydrophobicContact CE2-CE 3.52Å; F252-M256 HydrophobicContact CZ-CE 3.5Å; F252-M256 VanDerWaalsContact CZ-CE 3.5Å; F252-M256 WeakPolarHBondContact O-CB 3.23Å; F252-M256 PolarHBondContact O-N 3.25Å
253H98.6Very high98.2Very high105 Ų10564.4 Ų64.449%0.48634%0.339SS..Hα-helixtrans-64.9-33.3-180-78-65.7000112.7E249 E250 S257E249-H253 PolarHBondContact O-CD2 3.35Å; E249-H253 VanDerWaalsContact O-CD2 3.25Å; E249-H253 PolarHBondContact O-N 3.47Å; E250-H253 PolarHBondContact O-N 3.34Å; H253-S257 WeakPolarHBondContact O-CB 3.32Å; H253-S257 PolarHBondContact O-N 2.87Å
254K98.6Very high98.2Very high111 Ų11162.1 Ų62.148%0.48333%0.331SS..Hα-helixtrans-62.9-49175.1-177.8178.9-171.2168.80112.3E250 N251 F252 S257E250-K254 WeakPolarHBondContact O-CB 3.44Å; E250-K254 PolarHBondContact O-N 3.03Å; N251-K254 PolarHBondContact O-N 3Å; F252-K254 VanDerWaalsContact C-N 3.28Å; F252-K254 PolarHBondContact O-N 2.91Å; K254-S257 PolarHBondContact O-N 3.44Å; K254-S257 PolarHBondContact O-OG 3.25Å
255E98.6Very high98.2Very high62 Ų6263.9 Ų63.929%0.2934%0.338SS..Hα-helixtrans-72.3-36.3177.3-61.2-49121.500111.9L110 N251 F252 S257 K258 L259L110-E255 HydrophobicContact CD1-CB 4.1Å; L110-E255 HydrophobicContact CD2-CB 3.86Å; N251-E255 WeakPolarHBondContact O-CG 3.43Å; N251-E255 PolarHBondContact O-N 3.5Å; F252-E255 PolarHBondContact O-N 2.9Å; E255-S257 VanDerWaalsContact C-N 3.29Å; E255-S257 PolarHBondContact O-N 3.45Å; E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.08Å; E255-K258 VanDerWaalsContact O-N 3.13Å; E255-K258 WeakPolarHBondContact OE1-CE 3.21Å; E255-K258 IonicContact OE1-NZ 2.7Å; E255-K258 PolarHBondContact OE1-NZ 3.29Å; E255-K258 WeakPolarHBondContact OE2-CE 3.46Å; E255-K258 IonicContact OE2-NZ 2.64Å; E255-K258 PolarHBondContact OE2-NZ 3.44Å; E255-L259 PolarHBondContact O-N 2.98Å
256M98.4Very high98.1Very high15 Ų1563.7 Ų63.77%0.07434%0.338CS..Hα-helixtrans-61.3-37174.8-171.460.774.900111.9N107 L110 W111 F252 K258 L259 N260N107-M256 WeakPolarHBondContact ND2-CE 3.36Å; N107-M256 PolarHBondContact ND2-SD 3.37Å; L110-M256 HydrophobicContact CD2-CB 4.02Å; L110-M256 HydrophobicContact CD2-CE 3.89Å; L110-M256 HydrophobicContact CD2-SD 4.4Å; L110-M256 HydrophobicContact CG-CE 4.37Å; W111-M256 HydrophobicContact CD2-CE 4.4Å; W111-M256 HydrophobicContact CG-CE 4.45Å; W111-M256 HydrophobicContact CZ2-CE 4.39Å; F252-M256 HydrophobicContact CE2-CE 3.52Å; F252-M256 HydrophobicContact CZ-CE 3.5Å; F252-M256 VanDerWaalsContact CZ-CE 3.5Å; F252-M256 WeakPolarHBondContact O-CB 3.23Å; F252-M256 PolarHBondContact O-N 3.25Å; M256-K258 VanDerWaalsContact C-N 3.27Å; M256-K258 PolarHBondContact O-N 2.94Å; M256-L259 PolarHBondContact O-N 3.4Å; M256-L259 HydrophobicContact SD-CD1 4.38Å; M256-N260 PolarHBondContact O-N 2.88Å
257S98.4Very high97.9Very high70 Ų7064.3 Ų64.349%0.4933%0.333SS..Hα-helixtrans-60.7-35.6176.278.40000112.5H253 K254 E255 N260 Q261H253-S257 WeakPolarHBondContact O-CB 3.32Å; H253-S257 PolarHBondContact O-N 2.87Å; K254-S257 PolarHBondContact O-N 3.44Å; K254-S257 PolarHBondContact O-OG 3.25Å; E255-S257 VanDerWaalsContact C-N 3.29Å; E255-S257 PolarHBondContact O-N 3.45Å; S257-N260 PolarHBondContact O-N 3.49Å; S257-Q261 PolarHBondContact O-N 3.07Å
258K98.6Very high97.7Very high96 Ų9664.5 Ų64.542%0.41733%0.326SS..Hα-helixtrans-70-42.3175.9-55.4177.2-163.7166.70111.6E255 M256 N260 Q261 N262E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.08Å; E255-K258 VanDerWaalsContact O-N 3.13Å; E255-K258 WeakPolarHBondContact OE1-CE 3.21Å; E255-K258 IonicContact OE1-NZ 2.7Å; E255-K258 PolarHBondContact OE1-NZ 3.29Å; E255-K258 WeakPolarHBondContact OE2-CE 3.46Å; E255-K258 IonicContact OE2-NZ 2.64Å; E255-K258 PolarHBondContact OE2-NZ 3.44Å; M256-K258 VanDerWaalsContact C-N 3.27Å; M256-K258 PolarHBondContact O-N 2.94Å; K258-N260 VanDerWaalsContact C-N 3.3Å; K258-N260 PolarHBondContact O-N 3.37Å; K258-Q261 PolarHBondContact O-N 3.2Å; K258-N262 WeakPolarHBondContact O-CB 3.26Å; K258-N262 PolarHBondContact O-N 3.01Å; K258-N262 PolarHBondContact O-ND2 3.33Å; K258-N262 PolarHBondContact O-OD1 2.84Å
259L98.1Very high97.4Very high20 Ų2066.2 Ų66.211%0.10534%0.34CS..Hα-helixtrans-60.7-42.3175.7-63.8-179000111.2I103 N106 N107 L110 E255 M256 N262 L263I103-L259 HydrophobicContact CG2-CB 4.24Å; N106-L259 HydrophobicContact CB-CD1 4.2Å; N106-L259 HydrophobicContact CB-CD2 3.73Å; N107-L259 HydrophobicContact CB-CD1 4.24Å; L110-L259 HydrophobicContact CB-CD1 4.47Å; L110-L259 HydrophobicContact CD2-CD1 3.85Å; E255-L259 PolarHBondContact O-N 2.98Å; M256-L259 PolarHBondContact O-N 3.4Å; M256-L259 HydrophobicContact SD-CD1 4.38Å; L259-N262 PolarHBondContact O-N 2.84Å; L259-L263 WeakPolarHBondContact O-CB 3.42Å; L259-L263 PolarHBondContact O-N 3.32Å
260N97.6Very high97Very high92 Ų9264.2 Ų64.249%0.49233%0.331SS..Hα-helixtrans-65.6-40.2176.6-68.4-15.7000112.5M256 S257 K258 L263 N264M256-N260 PolarHBondContact O-N 2.88Å; S257-N260 PolarHBondContact O-N 3.49Å; K258-N260 VanDerWaalsContact C-N 3.3Å; K258-N260 PolarHBondContact O-N 3.37Å; N260-L263 PolarHBondContact O-N 3.44Å; N260-N264 PolarHBondContact O-N 2.73Å
261Q98.3Very high96.6Very high98 Ų9864.5 Ų64.546%0.45833%0.332SS..Hα-helixtrans-66.1-46.3174.3-174.159.753.800111.7S257 K258 L263 N264 D265S257-Q261 PolarHBondContact O-N 3.07Å; K258-Q261 PolarHBondContact O-N 3.2Å; Q261-L263 PolarHBondContact O-N 3.08Å; Q261-N264 WeakPolarHBondContact O-CA 3.39Å; Q261-N264 WeakPolarHBondContact O-CB 3.46Å; Q261-N264 PolarHBondContact O-N 3.22Å; Q261-D265 PolarHBondContact NE2-OD1 3.41Å; Q261-D265 VanDerWaalsContact O-CG 3.31Å; Q261-D265 PolarHBondContact O-N 3.17Å
262N97.8Very high96.1Very high76 Ų7668 Ų6841%0.40634%0.344SS..Hα-helixtrans-57.2-38.4176.5-65.7-18.5000111.5I103 K258 L259 D265 V266I103-N262 HydrophobicContact CD1-CB 3.77Å; I103-N262 HydrophobicContact CG1-CB 4.17Å; K258-N262 WeakPolarHBondContact O-CB 3.26Å; K258-N262 PolarHBondContact O-N 3.01Å; K258-N262 PolarHBondContact O-ND2 3.33Å; K258-N262 PolarHBondContact O-OD1 2.84Å; L259-N262 PolarHBondContact O-N 2.84Å; N262-D265 PolarHBondContact O-N 3.17Å; N262-V266 WeakPolarHBondContact O-CG2 3.38Å; N262-V266 PolarHBondContact O-N 3.47Å; N262-V266 VanDerWaalsContact O-N 3.09Å
263L97.5Very high95Very high29 Ų2973.1 Ų73.115%0.15237%0.368CS..Hα-helixtrans-68.3-39.7176.1-171.960000111.9L86 I103 L259 N260 Q261 V266 L267L86-L263 HydrophobicContact CD2-CD1 4.01Å; L86-L263 HydrophobicContact CD2-CD2 4.34Å; I103-L263 HydrophobicContact CD1-CB 4.46Å; I103-L263 HydrophobicContact CG2-CB 4.23Å; L259-L263 WeakPolarHBondContact O-CB 3.42Å; L259-L263 PolarHBondContact O-N 3.32Å; N260-L263 PolarHBondContact O-N 3.44Å; Q261-L263 PolarHBondContact O-N 3.08Å; L263-V266 PolarHBondContact O-N 2.78Å; L263-L267 HydrophobicContact CG-CD1 4.17Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.35Å; L263-L267 PolarHBondContact O-N 2.75Å
264N97.3Very high93.7Very high83 Ų8371.1 Ų71.144%0.44436%0.359SS..Hα-helixtrans-61.4-45.4173.8-171.1-105.7000111.4N260 Q261 V266 L267 V268N260-N264 PolarHBondContact O-N 2.73Å; Q261-N264 WeakPolarHBondContact O-CA 3.39Å; Q261-N264 WeakPolarHBondContact O-CB 3.46Å; Q261-N264 PolarHBondContact O-N 3.22Å; N264-V266 VanDerWaalsContact C-N 3.32Å; N264-V266 PolarHBondContact O-N 3.15Å; N264-L267 PolarHBondContact O-N 3.07Å; N264-V268 WeakPolarHBondContact O-CB 3.38Å; N264-V268 VanDerWaalsContact O-CG2 3.31Å; N264-V268 WeakPolarHBondContact O-CG2 3.28Å; N264-V268 PolarHBondContact O-N 3.05Å
265D97Very high91.8Very high77 Ų7769.4 Ų69.441%0.41237%0.372SS..Hα-helixtrans-62.4-37.6179.2-65.1-19.1000112.1Q261 N262 S269Q261-D265 PolarHBondContact NE2-OD1 3.41Å; Q261-D265 VanDerWaalsContact O-CG 3.31Å; Q261-D265 PolarHBondContact O-N 3.17Å; N262-D265 PolarHBondContact O-N 3.17Å; D265-S269 VanDerWaalsContact O-CB 3.29Å; D265-S269 WeakPolarHBondContact O-CB 3.47Å; D265-S269 PolarHBondContact O-N 3.38Å; D265-S269 PolarHBondContact O-OG 2.8Å
266V96Very high89.7Confident16 Ų1671.1 Ų71.110%0.09739%0.392CS..Hα-helixtrans-64.1-49172.4166.70000111.4Y90 E99 A100 I103 N262 L263 N264 V268 S269 L270Y90-V266 WeakPolarHBondContact OH-CG1 3.44Å; E99-V266 HydrophobicContact CB-CG2 3.8Å; A100-V266 HydrophobicContact CB-CG1 4.33Å; I103-V266 HydrophobicContact CD1-CG2 4.15Å; N262-V266 WeakPolarHBondContact O-CG2 3.38Å; N262-V266 PolarHBondContact O-N 3.47Å; N262-V266 VanDerWaalsContact O-N 3.09Å; L263-V266 PolarHBondContact O-N 2.78Å; N264-V266 VanDerWaalsContact C-N 3.32Å; N264-V266 PolarHBondContact O-N 3.15Å; V266-V268 PolarHBondContact O-N 3.46Å; V266-S269 WeakPolarHBondContact O-CA 3.46Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 3.43Å; V266-S269 VanDerWaalsContact O-N 3.1Å; V266-L270 PolarHBondContact O-N 3.05Å
267L93.8Very high87.5Confident66 Ų6676.3 Ų76.335%0.34642%0.419SS..Hα-helixtrans-67.4-35.9-179-68.2170.2000112.7Y90 L263 N264 S269 L270 E271Y90-L267 HydrophobicContact CE2-CD2 4.06Å; L263-L267 HydrophobicContact CG-CD1 4.17Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.35Å; L263-L267 PolarHBondContact O-N 2.75Å; N264-L267 PolarHBondContact O-N 3.07Å; L267-S269 VanDerWaalsContact C-N 3.31Å; L267-L270 WeakPolarHBondContact O-CB 3.49Å; L267-L270 PolarHBondContact O-N 2.94Å; L267-E271 PolarHBondContact O-N 2.83Å
268V94.3Very high85Confident43 Ų4379.6 Ų79.626%0.26144%0.437SS..Hα-helixtrans-68.7-31171.8169.10000111.3N264 V266 K272N264-V268 WeakPolarHBondContact O-CB 3.38Å; N264-V268 VanDerWaalsContact O-CG2 3.31Å; N264-V268 WeakPolarHBondContact O-CG2 3.28Å; N264-V268 PolarHBondContact O-N 3.05Å; V266-V268 PolarHBondContact O-N 3.46Å; V268-K272 HydrophobicContact CG1-CD 4.22Å; V268-K272 VanDerWaalsContact CG1-CE 3.48Å; V268-K272 WeakPolarHBondContact O-CD 3.33Å; V268-K272 VanDerWaalsContact O-CG 3.25Å; V268-K272 WeakPolarHBondContact O-CG 3.42Å; V268-K272 PolarHBondContact O-N 3.05Å; V268-K272 VanDerWaalsContact O-N 3.1Å
269S91.8Very high82.8Confident56 Ų5682.7 Ų82.739%0.39245%0.451SS..Hα-helixtrans-72.2-35.4173.6-61.60000112.2D265 V266 L267 K272 Q273D265-S269 VanDerWaalsContact O-CB 3.29Å; D265-S269 WeakPolarHBondContact O-CB 3.47Å; D265-S269 PolarHBondContact O-N 3.38Å; D265-S269 PolarHBondContact O-OG 2.8Å; V266-S269 WeakPolarHBondContact O-CA 3.46Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 3.43Å; V266-S269 VanDerWaalsContact O-N 3.1Å; L267-S269 VanDerWaalsContact C-N 3.31Å; S269-K272 PolarHBondContact O-N 2.68Å; S269-Q273 PolarHBondContact O-N 2.96Å
270L90.3Very high80.3Confident23 Ų2387.8 Ų87.812%0.1248%0.483CS..Hα-helixtrans-61.4-49.9169.7-176.571000111Y90 W94 P95 V266 L267 K272 Q273 H274Y90-L270 HydrophobicContact CE1-CD1 4.39Å; Y90-L270 HydrophobicContact CE2-CD2 4.08Å; W94-L270 HydrophobicContact CB-CD1 3.82Å; W94-L270 HydrophobicContact CD2-CD1 3.97Å; W94-L270 HydrophobicContact CE3-CD1 3.82Å; W94-L270 HydrophobicContact CE3-CD2 3.73Å; W94-L270 HydrophobicContact CE3-CG 4.39Å; W94-L270 HydrophobicContact CG-CD1 4.01Å; W94-L270 HydrophobicContact CZ3-CD2 3.99Å; P95-L270 HydrophobicContact CG-CD1 3.84Å; V266-L270 PolarHBondContact O-N 3.05Å; L267-L270 WeakPolarHBondContact O-CB 3.49Å; L267-L270 PolarHBondContact O-N 2.94Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 3.39Å; L270-Q273 PolarHBondContact O-N 3.47Å; L270-Q273 VanDerWaalsContact O-N 3.15Å; L270-H274 PolarHBondContact O-CD2 3.23Å; L270-H274 VanDerWaalsContact O-CD2 3.3Å; L270-H274 PolarHBondContact O-N 2.98Å
271E89.8Confident77.6Confident137 Ų13789 Ų8964%0.6449%0.493SS*.Hα-helixtrans-54.4-47.2176-176.6-177.2-147.300111.7L267 Q273 H274 G275L267-E271 PolarHBondContact O-N 2.83Å; E271-Q273 VanDerWaalsContact C-N 3.29Å; E271-Q273 PolarHBondContact O-N 3.2Å; E271-H274 PolarHBondContact O-N 3.36Å; E271-G275 PolarHBondContact O-N 3.34Å
272K88.1Confident75.1Confident148 Ų14893.5 Ų93.564%0.64351%0.511SS*.Hα-helixtrans-60.3-32.8179.7-74.1164-175.3168.30113.7V268 S269 L270V268-K272 HydrophobicContact CG1-CD 4.22Å; V268-K272 VanDerWaalsContact CG1-CE 3.48Å; V268-K272 WeakPolarHBondContact O-CD 3.33Å; V268-K272 VanDerWaalsContact O-CG 3.25Å; V268-K272 WeakPolarHBondContact O-CG 3.42Å; V268-K272 PolarHBondContact O-N 3.05Å; V268-K272 VanDerWaalsContact O-N 3.1Å; S269-K272 PolarHBondContact O-N 2.68Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 3.39Å
273Q75.4Confident72.3Confident112 Ų11294 Ų9452%0.52353%0.526SS..Hα-helixtrans-82.2-38.6176.6-66.2-163.822.800112.8P95 S269 L270 E271P95-Q273 HydrophobicContact CG-CB 4.24Å; P95-Q273 HydrophobicContact CG-CG 4.25Å; S269-Q273 PolarHBondContact O-N 2.96Å; L270-Q273 PolarHBondContact O-N 3.47Å; L270-Q273 VanDerWaalsContact O-N 3.15Å; E271-Q273 VanDerWaalsContact C-N 3.29Å; E271-Q273 PolarHBondContact O-N 3.2Å
274H71.3Confident69.6Low64 Ų64100.7 Ų100.730%0.29656%0.557SS.*Hα-helixtrans-79.7-28.8-178.5-74.9-101.6000113.2W94 L270 E271 S276 N277W94-H274 AromaticContact CD1-CE1 3.86Å; W94-H274 AromaticContact CD1-NE2 3.94Å; W94-H274 AromaticContact CE2-CE1 3.98Å; W94-H274 AromaticContact NE1-CE1 3.66Å; L270-H274 PolarHBondContact O-CD2 3.23Å; L270-H274 VanDerWaalsContact O-CD2 3.3Å; L270-H274 PolarHBondContact O-N 2.98Å; E271-H274 PolarHBondContact O-N 3.36Å; H274-S276 PolarHBondContact O-N 2.89Å; H274-N277 PolarHBondContact O-N 3.48Å
275G59.1Low66.9Low74 Ų74102.1 Ų102.176%0.76357%0.57SS**THydrogen-bonded Turntrans-65.4-14.1175.400000114.7E271E271-G275 PolarHBondContact O-N 3.34Å
276S55.6Low64.6Low99 Ų99109 Ų10969%0.69259%0.591SS**THydrogen-bonded Turntrans-94.1-21177.2-167.30000113.7H274H274-S276 PolarHBondContact O-N 2.89Å
277N51.4Low62Low123 Ų123118.3 Ų118.366%0.65863%0.63SS**SBendtrans-115.7112.3-170.9-81.2-50000112.6H274 F279H274-N277 PolarHBondContact O-N 3.48Å; N277-F279 PolarHBondContact O-N 2.99Å
278T45.6Very low59.3Low140 Ų140124.7 Ų124.786%0.85966%0.655SS**  trans-61.1123.7169.948.30000111.2T280T278-T280 PolarHBondContact O-N 2.87Å
279F52.9Low56.4Low160 Ų160127.9 Ų127.970%0.70268%0.679SS**  trans-51.6117.5-178.4-83-93.7000113.5N277 V281N277-F279 PolarHBondContact O-N 2.99Å; F279-V281 HydrophobicContact CB-CG2 4Å; F279-V281 PolarHBondContact O-N 3.35Å
280T44.8Very low54.3Low127 Ų127134.6 Ų134.678%0.77970%0.701SS**  trans-85.890.8154.7470000108.7T278 K282T278-T280 PolarHBondContact O-N 2.87Å; T280-K282 VanDerWaalsContact C-N 3.29Å; T280-K282 PolarHBondContact O-N 3.04Å
281V42.7Very low52Low118 Ų118140.3 Ų140.372%0.71573%0.731SS**  trans-66.985.5178.9-175.50000110.3F279 A283F279-V281 HydrophobicContact CB-CG2 4Å; F279-V281 PolarHBondContact O-N 3.35Å; V281-A283 VanDerWaalsContact C-N 3.29Å; V281-A283 PolarHBondContact O-N 3.47Å
282K44.1Very low49.5Very low193 Ų193143.1 Ų143.184%0.83974%0.742SS**  trans-70.288165.6-89.3-177.9176.3170.50108.8T280 Q284T280-K282 VanDerWaalsContact C-N 3.29Å; T280-K282 PolarHBondContact O-N 3.04Å; K282-Q284 VanDerWaalsContact C-N 3.34Å; K282-Q284 PolarHBondContact O-N 3.35Å
283A40.4Very low46.9Very low87 Ų87141.8 Ų141.872%0.71975%0.751SS**  trans-62.289.7176.900000111.7V281 P285V281-A283 VanDerWaalsContact C-N 3.29Å; V281-A283 PolarHBondContact O-N 3.47Å; A283-P285 WeakPolarHBondContact O-CD 3.26Å
284Q39.1Very low45.1Very low169 Ų169148 Ų14879%0.7977%0.769SS**  trans-60.4118.7166.9-91.5-89.9-6.400109.4K282 R286K282-Q284 VanDerWaalsContact C-N 3.34Å; K282-Q284 PolarHBondContact O-N 3.35Å; Q284-R286 PolarHBondContact O-N 3.46Å
285P41.4Very low43.3Very low113 Ų113153.4 Ų153.473%0.73480%0.8SS**  trans-77.283.1-176.231-34.7000111.3A283 K287A283-P285 WeakPolarHBondContact O-CD 3.26Å; P285-K287 PolarHBondContact O-N 3.45Å
286R47.8Very low42.2Very low221 Ų221161.9 Ų161.983%0.83481%0.808SS**  trans-54.7113.2171.3-73.4-170.5177.1-168.90.3109.6Q284 K288Q284-R286 PolarHBondContact O-N 3.46Å; R286-K288 PolarHBondContact O-N 2.69Å; R286-K288 VanDerWaalsContact O-N 3.11Å
287K41.9Very low41Very low211 Ų211168.9 Ų168.992%0.91782%0.82SS**  trans-64.6108.5-178.2-68.7177.8-178.3172.60110.2P285 S289P285-K287 PolarHBondContact O-N 3.45Å; K287-S289 PolarHBondContact O-N 2.94Å; K287-S289 VanDerWaalsContact O-N 3.1Å
288K37.1Very low40Very low200 Ų200172.8 Ų172.887%0.8783%0.831SS**  trans-70.2103.5178.9-65.5-172.8178.2-175.30111.4R286R286-K288 PolarHBondContact O-N 2.69Å; R286-K288 VanDerWaalsContact O-N 3.11Å
289S34.5Very low39.2Very low111 Ų111174.6 Ų174.678%0.77683%0.827SS**  trans-64.9144.7162.6-170.60000110.1K287 L291K287-S289 PolarHBondContact O-N 2.94Å; K287-S289 VanDerWaalsContact O-N 3.1Å; S289-L291 PolarHBondContact O-N 3.1Å
290K46.9Very low38Very low197 Ų197173.2 Ų173.286%0.85783%0.827SS**  trans-101.478.9-171.7-74.3-176.2178.61750112.9
291L42.9Very low37.3Very low142 Ų142171.1 Ų171.174%0.74382%0.817SS**  trans-133.9130.3154.9-60.9171.6000105.3S289S289-L291 PolarHBondContact O-N 3.1Å
292F36Very low36.6Very low197 Ų197172.3 Ų172.386%0.86482%0.82SS**  cis-130.6150.318.4-63.5-103.5000111.9
293S34.1Very low35.9Very low119 Ų119171.2 Ų171.283%0.83282%0.823SS**  trans-156.845.3172.254.80000114.6
294R36.9Very low35.5Very low243 Ų243171.1 Ų171.192%0.91782%0.822SS**  trans-142.6104.4167-68.9-175.2-175.8173.62.6111
295L33.6Very low35.3Very low178 Ų178169.6 Ų169.693%0.93283%0.827SS**  178.895.8116.1-157.370.9000112
296R35.4Very low34.8Very low251 Ų251168.6 Ų168.695%0.94783%0.828SS**  trans-157.370.3165.5-154.4178.3-167-161.64113.8
297R32.3Very low34.1Very low246 Ų246168.3 Ų168.393%0.92883%0.833SS**  trans-160.194.9171.2-142.2177-168.7-170.93.2116.3
298K29.3Very low33.4Very low205 Ų205162 Ų16289%0.89183%0.827SS**  trans155.9151.9157.4-94.1179.2172.6178.50107.8
299K29.4Very low33Very low179 Ų179159.5 Ų159.578%0.77882%0.823SS**  cis-165.9105.3-17.6174.2179.4178.9-163.50106.1
300N27.8Very low32.8Very low131 Ų131163.3 Ų163.370%0.70183%0.826SS**  90.3146.398.8-162.694.9000114.6
301S30.2Very low31.9Very low83 Ų83158.7 Ų158.758%0.5882%0.818SS**  trans61.9144.9162.541.70000119.1
302D28.4Very low31.5Very low143 Ų143157.9 Ų157.977%0.76582%0.822SS**  cis-161.6141.7-12.9-91.8-30.8000109.9
303N28.8Very low31.3Very low170 Ų170153.4 Ų153.491%0.90982%0.815SS**  177.2161.7127.8-102.7-66.6000113.4
304A32.6Very low32.4Very low85 Ų85153 Ų15370%0.70281%0.809SS**  trans-97.9170.7-177.300000113.4
305P33.6Very low32.5Very low136 Ų136147.1 Ų147.188%0.88380%0.803SS**  -135.7172.8108.838.9-30.3000113.9
306A30.9Very low32.3Very low92 Ų92146.4 Ų146.476%0.7680%0.8SS**  trans-128.7123.5-171.300000115.5
307K33.9Very low31.8Very low216 Ų216138 Ų13894%0.93979%0.791SS**  trans46.1119146.2-66.3-176.1175.4179.80121.8
308G27.9Very low31.7Very low77 Ų77132 Ų13279%0.79479%0.787SS**  112.3159.5126.700000117.5
309N28.6Very low32.5Very low148 Ų148128 Ų12879%0.79178%0.782SS**  cis-165.2161.3-13.2-164.87000110.9
310K29.6Very low32.3Very low192 Ų192124.2 Ų124.284%0.83578%0.784SS**  trans78.8143.9166.9-54.9-176.1178.5-178.60119.6
311S27.9Very low32.3Very low99 Ų99123 Ų12369%0.69279%0.792SS**  trans-114.8165.3163.2-1670000108.1
312P35.4Very low32.2Very low126 Ų126125 Ų12582%0.81880%0.801SS**  -145.4174.285.238.8-21.2000115.9
313S29.9Very low32.7Very low102 Ų102123.7 Ų123.771%0.71380%0.8SS**  trans-118.9-169.9172.5-28.20000110.2
314P57.6Low32.5Very low110 Ų110123 Ų12371%0.71479%0.792SS**  cis-117.4-153-38.731.6-10000109.8
315P40Very low32.2Very low121 Ų121125.3 Ų125.379%0.78679%0.791SS**  -147.7176.483.640.3-22.1000116.2
316D28.6Very low31.9Very low163 Ų163130.4 Ų130.487%0.87279%0.793SS**  trans-72.1164-178.6-68-81.7000116.5
317G25.8Very low31.8Very low74 Ų74132.2 Ų132.276%0.76379%0.794SS**  trans-165.796.6171.700000114.8
318S30.8Very low31.5Very low121 Ų121129.4 Ų129.485%0.84679%0.789SS**  trans-152.8163.5168.5-74.70000107.8
319P45.3Very low31.8Very low120 Ų120133.8 Ų133.878%0.77979%0.788SS**  cis-138.3-167.515.143.4-24.9000115.7
320A25.1Very low31.8Very low99 Ų99134.6 Ų134.682%0.81879%0.788SS**  trans75.1122143.300000122.5
321A27.6Very low32.3Very low105 Ų105130.2 Ų130.287%0.86878%0.779SS**  -164.9121.613000000112.2
322T28.6Very low32.2Very low125 Ų125133.6 Ų133.677%0.76778%0.783SS**  trans-91.1153155.9-6.60000108.5
323P38.4Very low32.8Very low117 Ų117132.3 Ų132.376%0.7678%0.775SS**  -131.4153.280.18.516.1000112.7
324E24.7Very low32.7Very low155 Ų155132.2 Ų132.272%0.72478%0.78SS**  84.4115.260-67.8-154.613500117.4
325I26.9Very low31.3Very low134 Ų134131 Ų13169%0.68779%0.789SS**  trans58.7115.2132.4-52.7167.8000119.4
326R26.7Very low30.9Very low243 Ų243128.9 Ų128.992%0.91779%0.789SS**  -164.3137.7115.9-106.8166.6-167.3-1794.1113.9
327V28.9Very low31Very low129 Ų129126 Ų12678%0.78279%0.788SS**  trans-113.6147.1169.9174.10000107.8
328N28.3Very low31.2Very low158 Ų158128.9 Ų128.985%0.84579%0.79SS**  trans-153.4164.3155.9-152.510.5000112.2
329H33Very low31.9Very low168 Ų168129.2 Ų129.278%0.77879%0.789SS**  trans-101.9170.2-167.9-77.4-102.4000115.8
330E28Very low31.1Very low166 Ų166127.2 Ų127.278%0.77679%0.791SS**  trans-52.4-175.8152.7-111.7-162.573.700114.2
331P41Very low31.4Very low100 Ų100126.9 Ų126.965%0.64979%0.788SS**  cis-142.5176.617.743.8-25.1000119
332E25.3Very low31.5Very low169 Ų169128.6 Ų128.679%0.7979%0.788SS**  trans54.2171.9142.8-86.2-140.7110.800122.8
333P48.7Very low31.7Very low99 Ų99130.6 Ų130.664%0.64379%0.793SS**  -141.9-171.3-5641.6-23.2000114.9
334A28.5Very low31.6Very low100 Ų100131.1 Ų131.183%0.82680%0.797SS**  137.2136.7126.500000119
335G27.7Very low31.9Very low86 Ų86133.4 Ų133.489%0.88780%0.804SS**  trans99.8128.714700000118.5
336G30.6Very low32.2Very low76 Ų76132.6 Ų132.678%0.78481%0.811SS**  trans-175.3-20.8177.100000122.3
337A30.1Very low32.7Very low103 Ų103126.5 Ų126.585%0.85180%0.803SS**  trans63.4171.1175.800000118.8
338T30.1Very low32.7Very low133 Ų133125.6 Ų125.682%0.81680%0.802SS**  trans-144.6-161-162.950.90000110.6
339P46.6Very low32.9Very low128 Ų128126.4 Ų126.483%0.83180%0.801SS**  -125-164.3-68.437.2-20.3000112.1
340G29Very low32.9Very low79 Ų79125.4 Ų125.481%0.81480%0.8SS**  trans150.1117.8146.500000117.8
341A30Very low33.3Very low92 Ų92129.8 Ų129.876%0.7681%0.81SS**  trans-91.4168.6177.900000113.8
342T29.9Very low33Very low141 Ų141135 Ų13587%0.86582%0.822SS**  173.9157.9126.529.90000114
343L32.2Very low33.5Very low166 Ų166130.1 Ų130.187%0.86982%0.818SS**  trans-110.4150.6166.1-93.579.8000111
344P38.1Very low32.9Very low129 Ų129131.5 Ų131.584%0.83883%0.826SS**  trans-132.3-174.4139.720.80.8000113.7
345K31Very low33.5Very low202 Ų202132.7 Ų132.788%0.87883%0.825SS**  trans-109.7152.9-164.3-60.3171.3178.9174.20114.4
346S32.7Very low34Very low118 Ų118135.1 Ų135.183%0.82582%0.823SS**  trans24.6145.4144.5-62.70000121.6
347P37.7Very low34.3Very low115 Ų115136.8 Ų136.875%0.74782%0.82SS**  cis-153.3168.749.542-21000120.6
348S28.7Very low34.9Very low109 Ų109137.4 Ų137.476%0.76282%0.815SS**  trans35.4114.8147-56.50000123.1
349Q32.7Very low35.2Very low176 Ų176136.3 Ų136.382%0.82281%0.811SS**  -177.9141101.5-100.4-174.986.400115.8
350L32.6Very low34.8Very low147 Ų147136.4 Ų136.477%0.7781%0.811SS**  trans34.7109148.8-63.8170.9000121.1
351R35.9Very low34.9Very low258 Ų258142.5 Ų142.597%0.97482%0.815SS**  trans-155.5161.4134.7-109.2160.1-155.7-137.22.7111.7
352K34.8Very low35Very low208 Ų208146.6 Ų146.690%0.90482%0.818SS**PPolyproline II helixtrans-97.4145.3-165.2-60.1174.2179.9178.10112.1
353G35Very low34.9Very low68 Ų68146.3 Ų146.370%0.70182%0.816SS**PPolyproline II helixtrans-81.3160167.400000113.2
354P37Very low35.1Very low128 Ų128144.2 Ų144.283%0.83181%0.813SS**PPolyproline II helixtrans-68.1163.8171.3-18.933.8000113.5
355P40.6Very low34.6Very low124 Ų124144.1 Ų144.181%0.80582%0.815SS**PPolyproline II helixtrans-92.5154.1-162.235.7-36.4000115.8
356V38.1Very low34.7Very low137 Ų137144.4 Ų144.483%0.8382%0.816SS**PPolyproline II helixtrans-82.9137.6167.3177.60000109.9
357P37.2Very low34.8Very low112 Ų112147.5 Ų147.573%0.72782%0.818SS**PPolyproline II helixtrans-73147.6176.229.7-35000112.8
358P43.2Very low34.4Very low116 Ų116148.3 Ų148.375%0.75382%0.82SS**PPolyproline II helixtrans-81.3156.7-176.133.3-36.3000113.7
359P36.8Very low34.4Very low110 Ų110151.4 Ų151.471%0.71482%0.82SS**PPolyproline II helixtrans-74.6141.9-179.230.2-35.5000112.9
360P37.8Very low34.6Very low129 Ų129150.5 Ų150.584%0.83882%0.816SS**PPolyproline II helixtrans-71141.9174.329.8-34000111.7
361K31.2Very low34.7Very low207 Ų207151.5 Ų151.590%0.982%0.817SS**PPolyproline II helixtrans-96.7152.2176.6-65.3178.1-179.8177.20110.9
362H31.9Very low34.6Very low179 Ų179148.8 Ų148.883%0.82982%0.815SS**PPolyproline II helixtrans-68.9167.4-175.3-84.4-90.3000115.6
363T28.1Very low34.8Very low134 Ų134145.4 Ų145.482%0.82281%0.805SS**  trans91150.5157.975.20000118
364P35.7Very low34.7Very low122 Ų122150.2 Ų150.279%0.79281%0.814SS**  cis-120168.8-16.635.7-20.7000113.6
365S28.6Very low34.4Very low127 Ų127149.7 Ų149.789%0.88881%0.813SS**  trans-63.7149.2176.8-48.80000113.2
366K32Very low34.3Very low209 Ų209151.5 Ų151.591%0.90982%0.816SS**  trans-117.6126.9161.6-164.4174.2-176-179.60109.7
367E34.3Very low34Very low182 Ų182155.2 Ų155.285%0.8582%0.821SS**  trans-86.5140-174.9177.8177.7-139.500111.4
368V30.7Very low33.6Very low133 Ų133159 Ų15981%0.80683%0.829SS**  trans-167.5125.5149.7131.10000112
369K28.2Very low32.9Very low173 Ų173160.6 Ų160.675%0.75283%0.831SS**  trans44.3109.4154-59.5-167.5172.4-161.80122
370Q36.4Very low32.5Very low158 Ų158160.4 Ų160.474%0.73883%0.828SS**  trans-50.5136.9135165.5-1721.300111.7
371E34.9Very low32.1Very low168 Ų168163.8 Ų163.879%0.78583%0.83SS**  trans174.677.9146.8-100169.4-105.400112
372Q33.2Very low32.2Very low201 Ų201159.2 Ų159.294%0.93982%0.819SS**  trans-166103.8148.3-111.8169.421.500109.2
373I40.1Very low32.3Very low137 Ų137156 Ų15670%0.70381%0.814SS**  trans-123.1123.8174.4-59.2169.9000105.8
374L32.2Very low32.5Very low169 Ų169157.7 Ų157.789%0.88581%0.813SS**  trans151.699.4150.5-86.3162.1000111.5
375S32Very low32.2Very low116 Ų116159 Ų15981%0.81181%0.811SS**  trans174.170.4146.858.50000110.4
376L37Very low32.2Very low163 Ų163158.1 Ų158.185%0.85381%0.805SS**  trans-146.933.5173-141.890.4000112.2
377F32.6Very low31.9Very low215 Ų215154 Ų15494%0.94380%0.797SS**  trans-143.856.7178.4-81-66.9000111.3
378E28.8Very low31.8Very low192 Ų192151.9 Ų151.990%0.89780%0.797SS**  trans-115.3135.3142.2-66.2171.5147.600103.2
379D28.6Very low31.9Very low148 Ų148151.3 Ų151.379%0.79179%0.794SS**SBendcis-136.1160.829-157.4-8.1000114.4
380T27.8Very low32.5Very low107 Ų107148.6 Ų148.666%0.65679%0.794SS**  trans-0.3114.7162.2-57.20000119.8
381F30.5Very low32.1Very low199 Ų199146.7 Ų146.787%0.87380%0.798SS**  -151.1133.3118-139.7-90.7000112.3
382V33.6Very low31.8Very low111 Ų111148 Ų14867%0.67381%0.805SS**  trans-109.9129.2-174176.30000111.4
383P33.4Very low31.5Very low113 Ų113146.9 Ų146.973%0.73480%0.797SS**  trans-99112.515833.1-25000110.4I385P383-I385 PolarHBondContact O-N 3.11Å
384E31.2Very low30.8Very low169 Ų169149.2 Ų149.279%0.7981%0.805SS**  trans-78.3107.6-179.8-172.1-179.7-17300111.7
385I30Very low30.7Very low149 Ų149145.1 Ų145.176%0.76480%0.795SS**  trans-135.781.516848.8162.6000111.9P383 V387P383-I385 PolarHBondContact O-N 3.11Å; I385-V387 PolarHBondContact O-N 3.27Å
386S29.7Very low31.3Very low108 Ų108145.6 Ų145.676%0.75580%0.795SS**  trans-71.2112.9174.6-64.30000111.5
387V25.7Very low30.8Very low122 Ų122141.4 Ų141.474%0.73979%0.791SS**  trans-109.3119.1175.9178.50000110.5I385I385-V387 PolarHBondContact O-N 3.27Å
388T30.3Very low31.3Very low138 Ų138137 Ų13785%0.84779%0.785SS**  trans-148.1125.2168-44.20000110.2
389T32.8Very low31.3Very low121 Ų121136.9 Ų136.974%0.74278%0.782SS**  trans-108.3159.6177.946.60000108.6
390P42.3Very low31.4Very low117 Ų117135.5 Ų135.576%0.7678%0.783SS**  -150.6-174.754.241.6-19.5000118.3
391S28.1Very low31.5Very low118 Ų118137.9 Ų137.983%0.82579%0.787SS**  trans70.3149.6177.5-64.50000115.9
392Q28Very low31.8Very low196 Ų196138 Ų13892%0.91679%0.79SS**  cis-137.4-176.16.7-161.8164.1-19.500111.5
393F27.5Very low31.6Very low177 Ų177137.2 Ų137.278%0.77680%0.795SS**  trans-108135.2-170.4162.9-80.8000113.1
394E24.6Very low31.5Very low186 Ų186137.4 Ų137.487%0.86980%0.799SS**  trans-168.3179141.7-118.6177.1141.200112.8
395A29.9Very low31.5Very low82 Ų82136.9 Ų136.968%0.67880%0.801SS**  trans-137.4-162.3-167.600000113.3
396P44.5Very low31.8Very low126 Ų126137.1 Ų137.182%0.81880%0.803SS**  -129.1157.3-89.239.3-24.3000117.6
397G27.4Very low31.9Very low75 Ų75139.1 Ų139.177%0.77381%0.806SS**  trans93.3177.9160.100000116.9
398P42.9Very low32.5Very low123 Ų123141 Ų14180%0.79981%0.81SS**  cis-131.3169.5-3.441.5-25.8000116.4
399F27.9Very low32.6Very low190 Ų190142 Ų14283%0.83381%0.811SS**  trans15.3134.5153-77.7-97.2000123
400S31.2Very low32.7Very low119 Ų119145.4 Ų145.483%0.83282%0.815SS**  -149.9144.2112.5-168.10000111.4
401E31Very low32.2Very low157 Ų157147 Ų14773%0.73482%0.818SS**  trans-91.6161.8168.5-56.7175.7127.500110.4
402Q35Very low32.5Very low201 Ų201146.2 Ų146.294%0.93981%0.81SS**  -166.5161.8120.4-105.6173.912.900111.1
403A29.3Very low32.9Very low94 Ų94144.9 Ų144.978%0.77781%0.808SS**  trans-145.6-165.9-169.800000111.3
404S32.6Very low33.6Very low117 Ų117142.1 Ų142.182%0.81881%0.808SS**  trans84.6124.3-171.9-55.10000113.6
405L30.3Very low34.3Very low159 Ų159138.5 Ų138.583%0.83280%0.801SS**  cis89.7128.133.1-164.4155.2000112.2
406L36.5Very low34.2Very low154 Ų154140.7 Ų140.781%0.80681%0.805SS**  trans-24.3135.9-178.8-59.1166.3000116.4
407D31.9Very low33.4Very low150 Ų150141.3 Ų141.380%0.80281%0.807SS**  trans-126.8149153.5-150.3-12.7000109.7
408L38.8Very low33.4Very low161 Ų161142.9 Ų142.984%0.84381%0.806SS**  trans-140.6100.3-173.9-93170.6000108.2
409D33.3Very low33Very low159 Ų159142.9 Ų142.985%0.8581%0.806SS**  trans-127.1142.7-179.5-130.8-14.2000111.8
410F33.3Very low33.1Very low192 Ų192140.5 Ų140.584%0.84281%0.807SS**  trans-157.7109.9-153.7-170.9-69.2000111.6
411D32.8Very low32.9Very low151 Ų151144.7 Ų144.781%0.80781%0.81SS**  trans-173.9170.1169.2-127.511.9000111.4
412P34.1Very low32.8Very low101 Ų101141.4 Ų141.466%0.65681%0.81SS**  -126.1172.2-51.723.1-3000113.3
413L35.8Very low32.6Very low168 Ų168137.9 Ų137.988%0.8880%0.804SS**  trans-110.7149.9164.6-63.5176.5000109.9
414P43.6Very low32.6Very low120 Ų120139.2 Ų139.278%0.77980%0.803SS**  -155.1-167.992.943.7-25000113.3
415P38.5Very low32.5Very low110 Ų110139.7 Ų139.771%0.71480%0.803SS**  cis-129.2139.8-8.325.1-2.7000116.8
416V27.9Very low32.6Very low128 Ų128137.5 Ų137.578%0.77680%0.801SS**  49.6114.9128.6-1730000120.4
417T26.5Very low32.4Very low139 Ų139134 Ų13485%0.85380%0.802SS**  -162.2137.3112.511.40000111.7
418S28.2Very low32.5Very low108 Ų108135.8 Ų135.876%0.75581%0.805SS**  trans-132.4156.4175.9-51.90000108.7
419P35.5Very low32.2Very low123 Ų123133.7 Ų133.780%0.79980%0.804SS**  -144.5133.287.334.5-17.1000116.5
420V28.1Very low32.6Very low139 Ų139132.6 Ų132.684%0.84280%0.797SS**  trans34.1114.6140.2-170.10000119.6
421K27.8Very low32.6Very low208 Ų208127.8 Ų127.890%0.90479%0.785SS**  trans-148.3148.5138.1-146172-175.2-179.70110.3
422A28.3Very low33.3Very low88 Ų88130.6 Ų130.673%0.72778%0.784SS**PPolyproline II helixtrans-86149.7-174.100000113
423P31.3Very low33.9Very low126 Ų126131 Ų13182%0.81878%0.781SS**PPolyproline II helixtrans-92.4125.2176.334.2-31.3000112.9
424T29.7Very low34.2Very low122 Ų122129.8 Ų129.875%0.74878%0.775SS**PPolyproline II helixtrans-82.6146.9156.216.70000110S426T424-S426 PolarHBondContact O-N 3.04Å
425P31.1Very low34.4Very low128 Ų128135 Ų13583%0.83178%0.779SS**  trans-74.4113.2174.230.2-32.5000110.3
426S31.2Very low34.4Very low113 Ų113137.7 Ų137.779%0.7978%0.782SS**PPolyproline II helixtrans-96.8116.8167.3-62.50000109.2T424T424-S426 PolarHBondContact O-N 3.04Å
427G33.4Very low34.6Very low79 Ų79137.4 Ų137.481%0.81478%0.783SS**PPolyproline II helixtrans-70.3130.7168.700000110.2
428Q32.6Very low34.6Very low189 Ų189137.5 Ų137.588%0.88378%0.783SS**PPolyproline II helixtrans-77.6129.6166.7-71.7-176.4-78.700109.2
429S32.4Very low34.7Very low116 Ų116140.7 Ų140.781%0.81179%0.786SS**PPolyproline II helixtrans-68.3132.6165.639.70000109.8
430I42.1Very low34.2Very low136 Ų136139.8 Ų139.870%0.69778%0.783SS**PPolyproline II helixtrans-84.4130.5175-58.2175.5000107.9
431P34.3Very low34.7Very low92 Ų92138.9 Ų138.960%0.59778%0.78SS**PPolyproline II helixtrans-58.4147.2173.5-25.835.9000112.8D433P431-D433 PolarHBondContact O-N 3.28Å
432W47.1Very low34.5Very low210 Ų210134.1 Ų134.180%0.79578%0.779SS**G310 helixtrans-80.8-15.8-166.845.4-94.1000114.4L434W432-L434 PolarHBondContact O-N 3.26Å; W432-L434 VanDerWaalsContact O-N 3.09Å
433D46Very low34.3Very low110 Ų110133.6 Ų133.659%0.58878%0.783SS**G310 helixtrans-64.4-10.6-177.8-52.6-93.5000115.1P431 W435P431-D433 PolarHBondContact O-N 3.28Å; D433-W435 VanDerWaalsContact C-N 3.28Å; D433-W435 PolarHBondContact O-N 3.35Å
434L42.3Very low34.1Very low142 Ų142133.6 Ų133.674%0.74379%0.785SS**G310 helixtrans-80.5-1.3-172.3-162.460.3000114.6W432W432-L434 PolarHBondContact O-N 3.26Å; W432-L434 VanDerWaalsContact O-N 3.09Å
435W47.7Very low34Very low228 Ų228134.6 Ų134.686%0.86479%0.785SS**G310 helixtrans-107.16.1-172.4-73.592.9000115.4D433D433-W435 VanDerWaalsContact C-N 3.28Å; D433-W435 PolarHBondContact O-N 3.35Å
436E37.9Very low34.1Very low167 Ų167134.6 Ų134.678%0.7879%0.786SS**SBendtrans-96131169.1-64.8-164.115900111.5T438E436-T438 PolarHBondContact O-N 3.39Å
437P33.1Very low33.8Very low122 Ų122134 Ų13479%0.79278%0.781SS**  trans-65.9128170.8-20.633.3000111.9E439P437-E439 PolarHBondContact O-N 3.39Å; P437-E439 VanDerWaalsContact O-N 3.1Å
438T26.9Very low33.4Very low141 Ų141133.8 Ų133.887%0.86578%0.78SS**  trans-69.9103.4-179.2-44.60000112.5E436E436-T438 PolarHBondContact O-N 3.39Å
439E30.6Very low33.1Very low175 Ų175133.6 Ų133.682%0.81878%0.779SS**  trans-87.4149.4166.3-86.5-105.8118.700112.2P437P437-E439 PolarHBondContact O-N 3.39Å; P437-E439 VanDerWaalsContact O-N 3.1Å
440S24.4Very low33Very low104 Ų104134 Ų13473%0.72778%0.779SS**  trans-160.1146.1172.4-84.90000110.5
441P37.7Very low32.2Very low121 Ų121132.7 Ų132.779%0.78678%0.782SS**  -121.7160-108.439.4-34.9000115.9
442A24.5Very low31.9Very low107 Ų107132.9 Ų132.988%0.88479%0.791SS**  trans143.1116.6139.700000112.8
443G24.2Very low30.9Very low78 Ų78127.7 Ų127.780%0.80479%0.792SS**  trans-164.1113.9171.500000110.6
444S25.9Very low30Very low125 Ų125132 Ų13287%0.87481%0.809SS**  trans-74.1139-168-540000114.4
445L29.2Very low29.3Very low143 Ų143128.6 Ų128.675%0.74981%0.809SS**  trans-60.6160160.8-73.2167.2000111.4
446P31.6Very low28.4Very low129 Ų129124.2 Ų124.284%0.83881%0.807SS**  -129.2140.894.736.4-29.7000114.1
447S26.5Very low27.7Very low99 Ų99125.6 Ų125.669%0.69281%0.811SS**  trans-77.3153.5175.1-460000112.6
448G24.2Very low27.5Very low76 Ų76124.3 Ų124.378%0.78481%0.811SS**  trans-108.3125.4159.200000110.6
449E26.3Very low27.6Very low184 Ų184123 Ų12386%0.8680%0.803SS**  trans-78.1162.7165.8-67.8177.878.600110.4
450P30Very low27.4Very low126 Ų126120.1 Ų120.182%0.81880%0.802SS**  -134.9141.4112.536.5-28.2000115.6
451S25.9Very low27.8Very low108 Ų108126 Ų12676%0.75581%0.808SS**  trans-2.9134.9155.5-1660000119.1
452A27.1Very low27.5Very low95 Ų95125.6 Ų125.679%0.78581%0.806SS**  trans-63.4159.8160.700000112.9
453A26Very low27.6Very low101 Ų101126 Ų12684%0.83580%0.802SS**  trans-139.5138.9161.300000108.6
454E28.5Very low27.8Very low200 Ų200131.7 Ų131.794%0.93581%0.808SS**  trans-78.3140.1-178.7-65.3171.2111.200111.3
455G26.5Very low27.8Very low72 Ų72132.3 Ų132.374%0.74281%0.806SS**  trans-144.272.4-174.700000112.5F457G455-F457 PolarHBondContact O-N 2.89Å
456T29.7Very low27.6Very low135 Ų135130.4 Ų130.483%0.82881%0.811SS**  trans-71113.3-175.2-33.90000112
457F23.9Very low27.3Very low196 Ų196133.4 Ų133.486%0.8681%0.814SS**  trans-129.9110.1165.8-96.8-88.1000110.6G455G455-F457 PolarHBondContact O-N 2.89Å
458A27.9Very low27.5Very low96 Ų96134.7 Ų134.779%0.79382%0.82SS**  trans-92.5125.5171.700000109.6
459V29.3Very low27.4Very low114 Ų114134.7 Ų134.769%0.69182%0.82SS**  trans-106.1106.5174.5-179.60000108.8
460S25.5Very low28.2Very low114 Ų114132.2 Ų132.280%0.79782%0.82SS**  trans-92.9119.5178.256.30000111.5
461W34.1Very low27.9Very low227 Ų227131.2 Ų131.286%0.8682%0.822SS**  trans-101.3132.2169.9-75.398.7000110.9S463W461-S463 PolarHBondContact O-N 3.13Å
462P30.4Very low27.9Very low113 Ų113134.8 Ų134.873%0.73483%0.826SS**  trans-84.4113.9179.831.7-32.6000111.9
463S27.2Very low28.3Very low116 Ų116135.8 Ų135.881%0.81183%0.825SS**  trans-73.9133.4166.4-56.30000110.8W461W461-S463 PolarHBondContact O-N 3.13Å
464Q27.8Very low28.2Very low197 Ų197135.1 Ų135.192%0.92182%0.819SS**  trans-123.1117.7161.2-87.9-175.578.700109.9
465T25.3Very low28Very low138 Ų138135 Ų13585%0.84782%0.819SS**  trans-88.8140.9175.546.90000111
466A25.1Very low28.1Very low102 Ų102135.3 Ų135.384%0.84382%0.815SS**  trans-132.2119.2164.700000109.4
467E26.5Very low27.9Very low193 Ų193133.7 Ų133.790%0.90281%0.809SS**PPolyproline II helixtrans-89.5150175.8-73.8-152.6118.200112.5
468P31.4Very low28.1Very low126 Ų126132.2 Ų132.282%0.81881%0.805SS**PPolyproline II helixtrans-101.7119.4161.634.3-26000112.3
469G21.8Very low28Very low76 Ų76133.1 Ų133.178%0.78480%0.8SS**PPolyproline II helixtrans-92.6160.8170.100000113.6
470P42Very low27.9Very low132 Ų132132.7 Ų132.786%0.85781%0.809SS**  trans-113.3157.6-158.840.3-33.5000116.7
471A23.1Very low27.7Very low104 Ų104131.2 Ų131.286%0.8681%0.811SS**  trans-167150.7149.300000114.2
472Q26.8Very low27.3Very low183 Ų183123.7 Ų123.786%0.85580%0.804SS**  trans-120.2176162-109.1-170.2-61.100107.3
473P34.8Very low27Very low116 Ų116125.4 Ų125.475%0.75381%0.813SS**  cis-148.5173.930.743.1-21.7000120
474A25.1Very low27.2Very low87 Ų87128.3 Ų128.372%0.71981%0.813SS**  trans18.2136.9147.700000125.7
475E24.9Very low27.8Very low198 Ų198124 Ų12493%0.92580%0.803SS**  173.6164.7121.8-91.7-161.1138.300109.3
476A26.6Very low27.9Very low79 Ų79121.9 Ų121.965%0.65380%0.799SS**  cis-165.7163.4-40.500000110.4
477S26.4Very low28Very low101 Ų101122 Ų12271%0.70680%0.799SS**  trans65.7158.3165.4-71.40000119.8
478E28.2Very low27.9Very low165 Ų165116.5 Ų116.577%0.77180%0.795SS**  cis-173168.7-16.2-10317587.100107.9
479V25.4Very low27.7Very low115 Ų115115 Ų11570%0.69779%0.794SS**  cis-165.9147.1-17.559.50000110.3
480A27Very low27.9Very low105 Ų105120.2 Ų120.287%0.86880%0.797SS**  trans59.6158.7168.500000118
481G22.9Very low27.3Very low83 Ų83121.6 Ų121.686%0.85679%0.792SS**  cis178.1163.2-5.500000106.6
482G24.1Very low28Very low68 Ų68122.4 Ų122.470%0.70179%0.789SS**  cis144.1156.814.200000108.1
483T25.3Very low27.9Very low150 Ų150116.5 Ų116.592%0.9278%0.777SS**  trans95.8106.7172-38.70000118.1
484Q30.9Very low27.5Very low176 Ų176119.7 Ų119.782%0.82278%0.782SS**  trans-85.7167.1154-126.1-173.5-11.400108.7
485P39.6Very low27.5Very low108 Ų108121.1 Ų121.170%0.70178%0.782SS**  -157.41806243.3-21.9000118
486A27.9Very low27.6Very low92 Ų92116 Ų11676%0.7677%0.774SS**  trans47.2149.3139.100000122.7
487A26.8Very low27.6Very low104 Ų104116.5 Ų116.586%0.8678%0.778SS**  cis-171.5161.7-16.500000108.6
488G24.7Very low27.6Very low78 Ų78116.8 Ų116.880%0.80478%0.78SS**  trans173.7118.3172.300000117.4
489A27.1Very low27.6Very low96 Ų96118.1 Ų118.179%0.79379%0.786SS**  trans-57.6165.6160.400000113.4
490Q25.7Very low27.6Very low184 Ų184117 Ų11786%0.8679%0.789SS**  cis-174.9164.6-7.4164.6175.6-31.500109.4
491E29.9Very low27.6Very low161 Ų161116.6 Ų116.675%0.75279%0.785SS**  trans-43.9164.3167.6-73.8-71.813400115.7
492P39Very low27.9Very low122 Ų122118.4 Ų118.479%0.79279%0.785SS**  cis-144.7-179.420.243.5-24.9000118.7
493G24.9Very low28Very low59 Ų59120.3 Ų120.361%0.60879%0.788SS**  116.6126.4122.900000122
494E25.9Very low28.1Very low182 Ų182118.5 Ų118.585%0.8578%0.781SS**  trans60.7151.8145.1-62.1-166.493.200120.3
495T24.7Very low28Very low117 Ų117118.3 Ų118.372%0.71879%0.785SS**  cis-159171.1-7.316.50000111.4
496A27.1Very low27.5Very low91 Ų91119.1 Ų119.175%0.75279%0.79SS**  trans77.1115.2147.200000123.5
497A25.4Very low27.3Very low90 Ų90119.4 Ų119.474%0.74479%0.793SS**  77.4116119.600000124.1
498S28.1Very low27.3Very low107 Ų107121.3 Ų121.375%0.74879%0.793SS**  89.2119.1125.5-65.30000124.1
499E26.7Very low27.4Very low192 Ų192123.9 Ų123.990%0.89779%0.793SS**  trans81.6157136.1-69.7-165.9106.200123.8
500A27.1Very low27.4Very low93 Ų93124.9 Ų124.977%0.76979%0.789SS**  trans78.184.8160.300000121.5
501A26.9Very low27.3Very low95 Ų95125.2 Ų125.279%0.78579%0.79SS**  52122.7125.600000123.3
502S28Very low27.1Very low121 Ų121121.6 Ų121.685%0.84678%0.78SS**  trans56.2112.1138.7-61.30000121.6
503S25.7Very low26.3Very low109 Ų109125 Ų12576%0.76278%0.782SS**  -169167.7118.163.40000113.4
504S27.9Very low26.7Very low111 Ų111127.7 Ų127.778%0.77679%0.789SS**  trans79.5102.6153.4-50.90000119.6
505L28.5Very low26.7Very low173 Ų173123.9 Ų123.991%0.90679%0.788SS**PPolyproline II helixtrans-77.7153.6154.1-61.3164.8000110.4
506P29Very low26.8Very low124 Ų124125 Ų12581%0.80580%0.795SS**PPolyproline II helixtrans-92.5151.5149.234.8-29.1000111.2
507A24.5Very low26.8Very low99 Ų99127 Ų12782%0.81880%0.798SS**PPolyproline II helixtrans-93.1156.9-177.600000113.3
508V26.7Very low27Very low144 Ų144130.6 Ų130.687%0.87381%0.805SS**  trans-118.3146.7160.4173.60000108.3
509V26.8Very low26.9Very low131 Ų131128.9 Ų128.979%0.79480%0.804SS**  trans-77.8147.4-164.7175.30000112.7
510V26.2Very low26.8Very low117 Ų117126.1 Ų126.171%0.70980%0.801SS**  trans-91.1128.8169.8172.80000109.8T512V510-T512 VanDerWaalsContact CG1-OG1 3.31Å; V510-T512 WeakPolarHBondContact CG1-OG1 3.4Å
511E25.1Very low27Very low191 Ų191128.4 Ų128.489%0.89381%0.805SS**  trans-126.3152.2151.8-74.6-158.3122.100109.5
512T25.1Very low27.3Very low86 Ų86133 Ų13353%0.52881%0.81SS.*  trans-148.9149.3-164.8-34.80000111.9V510V510-T512 VanDerWaalsContact CG1-OG1 3.31Å; V510-T512 WeakPolarHBondContact CG1-OG1 3.4Å
513F22.6Very low27.4Very low193 Ų193131 Ų13185%0.84681%0.808SS**  trans75.9161.6168.8-46-68.2000116.9
514P33.1Very low27.4Very low116 Ų116129.6 Ų129.675%0.75381%0.811SS**  cis-119.9168.2-1124-3.1000113.8
515A25.4Very low27.5Very low101 Ų101130.8 Ų130.884%0.83582%0.819SS**  trans-84.3148.2159.600000110.4
516T27.3Very low27.5Very low141 Ų141126 Ų12687%0.86581%0.811SS**  trans-127.1144.2162.845.60000110.1
517V26.9Very low27.5Very low133 Ų133125 Ų12581%0.80681%0.814SS**  trans-101.8147.3178.4690000109.4
518N29.2Very low28.2Very low165 Ų165124.5 Ų124.588%0.88282%0.819SS**  trans-151.8122.4152.3-103.7-23.9000108.5
519G25.4Very low28.7Very low72 Ų72128.6 Ų128.674%0.74282%0.818SS**  trans-104.6146.4168.300000109.6
520T25.2Very low30.2Very low134 Ų134128 Ų12882%0.82281%0.81SS**  trans-118.5124.8170.2-56.80000108.4
521V32.3Very low32.3Very low140 Ų140126.8 Ų126.885%0.84880%0.8SS**  trans-86.3129.3169.8149.30000108.7
522E31.4Very low35Very low192 Ų192120.8 Ų120.890%0.89777%0.773SS**  trans-125.5122.4151.8-73.3-152.1120.900109.2
523G30.2Very low37.8Very low79 Ų79116.9 Ų116.981%0.81475%0.749SS**  trans-110107.8171.200000109.6
524G26.3Very low40.6Very low79 Ų79112.1 Ų112.181%0.81474%0.738SS**  trans-126.2114.8176.200000111
525S31.3Very low42.9Very low136 Ų136108.9 Ų108.995%0.95173%0.725SS**  trans-90.1127.1-177.9-55.10000112.2
526G26.6Very low46Very low72 Ų72107.1 Ų107.174%0.74270%0.699SS**  trans178.6112170.400000114.9
527A30.8Very low48.9Very low105 Ų105105.8 Ų105.887%0.86868%0.684SS**  trans59121.5172.600000117.3R529A527-R529 PolarHBondContact O-N 2.89Å; A527-R529 VanDerWaalsContact O-N 3.09Å
528G38.7Very low52Low88 Ų88101.2 Ų101.291%0.90765%0.654SS**  trans-72.5101.5-178.600000113.5
529R37.8Very low55.1Low230 Ų23095.8 Ų95.887%0.86862%0.622SS**  trans-82117.7157.6-177.3178.8178.9-164.5-1.5107.6A527 D531A527-R529 PolarHBondContact O-N 2.89Å; A527-R529 VanDerWaalsContact O-N 3.09Å; R529-D531 PolarHBondContact O-N 3.04Å; R529-D531 VanDerWaalsContact O-N 3.12Å
530L56.5Low58.3Low118 Ų11892.4 Ų92.462%0.61859%0.587SS**  trans-62.2115.1173-75.5168.3000108.7L532L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L532 HydrophobicContact CB-CD1 4.48Å; L530-L532 HydrophobicContact CB-CD2 4.32Å; L530-L532 HydrophobicContact CB-CG 4.07Å; L530-L532 PolarHBondContact O-N 3.49Å; L530-L532 VanDerWaalsContact O-N 3.1Å
531D70.6Confident61.7Low92 Ų9289.5 Ų89.549%0.49256%0.564SS.*  trans-84.181.3-178.5-161.626.6000107.7R529 W586 K590R529-D531 PolarHBondContact O-N 3.04Å; R529-D531 VanDerWaalsContact O-N 3.12Å; D531-W586 PolarHBondContact O-NE1 2.8Å; D531-K590 IonicContact OD2-NZ 3.76Å; D531-K590 PolarHBondContact OD2-NZ 3.35Å
532L82.3Confident64.7Low65 Ų6582.9 Ų82.934%0.3452%0.524SS..PPolyproline II helixtrans-84.4152.7-170.7-67.5170.4000112.2L530 F536 L563L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L532 HydrophobicContact CB-CD1 4.48Å; L530-L532 HydrophobicContact CB-CD2 4.32Å; L530-L532 HydrophobicContact CB-CG 4.07Å; L530-L532 PolarHBondContact O-N 3.49Å; L530-L532 VanDerWaalsContact O-N 3.1Å; L532-F536 HydrophobicContact CB-CB 4.3Å; L532-F536 HydrophobicContact CB-CG 4.44Å; L532-F536 HydrophobicContact CD1-CD1 3.83Å; L532-F536 HydrophobicContact CD1-CE1 4.1Å; L532-F536 HydrophobicContact CD1-CG 4.36Å; L532-L563 HydrophobicContact CD2-CD1 4.46Å
533P84.4Confident67.6Low3 Ų377.9 Ų77.92%0.01950%0.501CS..PPolyproline II helixtrans-64.4144.4179.925.7-33000111.8G535 F536 L563 I565 V581 W586 L592P533-G535 PolarHBondContact O-N 3.37Å; P533-F536 HydrophobicContact CG-CB 4.22Å; P533-F536 WeakPolarHBondContact O-CB 3.31Å; P533-F536 PolarHBondContact O-N 3.03Å; P533-L563 HydrophobicContact CG-CB 4Å; P533-L563 HydrophobicContact CG-CD1 3.92Å; P533-I565 HydrophobicContact CB-CG2 4.37Å; P533-I565 HydrophobicContact CG-CG2 4.16Å; P533-V581 HydrophobicContact CB-CG1 4.31Å; P533-V581 HydrophobicContact CG-CG1 4.09Å; P533-W586 HydrophobicContact CB-CD2 4.03Å; P533-W586 HydrophobicContact CB-CE3 4.13Å; P533-W586 HydrophobicContact CB-CH2 4.1Å; P533-W586 HydrophobicContact CB-CZ2 3.98Å; P533-W586 HydrophobicContact CB-CZ3 4.16Å; P533-W586 HydrophobicContact CG-CD2 4.47Å; P533-L592 HydrophobicContact CB-CD1 3.82Å
534P79.7Confident70.4Confident94 Ų9479.3 Ų79.361%0.6149%0.486SS*.THydrogen-bonded Turntrans-50.9128.7172.7-28.435.2000112
535G83.1Confident73.5Confident47 Ų4779.6 Ų79.649%0.48547%0.469SS..THydrogen-bonded Turntrans81.76.3-178.100000115.8P533 M537 P566P533-G535 PolarHBondContact O-N 3.37Å; G535-M537 PolarHBondContact O-N 3.21Å; G535-P566 WeakPolarHBondContact O-CD 3.01Å
536F89.9Confident76.5Confident65 Ų6574.2 Ų74.229%0.28543%0.428SS..  trans-46.3127175.7172.9-100.8000113.4L532 P533 F538 K539 L563 V564L532-F536 HydrophobicContact CB-CB 4.3Å; L532-F536 HydrophobicContact CB-CG 4.44Å; L532-F536 HydrophobicContact CD1-CD1 3.83Å; L532-F536 HydrophobicContact CD1-CE1 4.1Å; L532-F536 HydrophobicContact CD1-CG 4.36Å; P533-F536 HydrophobicContact CG-CB 4.22Å; P533-F536 WeakPolarHBondContact O-CB 3.31Å; P533-F536 PolarHBondContact O-N 3.03Å; F536-F538 WeakPolarHBondContact CE2-O 3.44Å; F536-F538 VanDerWaalsContact CZ-C 3.46Å; F536-K539 HydrophobicContact CE2-CG 3.95Å; F536-K539 HydrophobicContact CZ-CG 3.81Å; F536-L563 HydrophobicContact CD2-CB 3.96Å; F536-L563 HydrophobicContact CD2-CD2 4.44Å; F536-L563 HydrophobicContact CE2-CB 4.12Å; F536-L563 HydrophobicContact CE2-CD2 3.93Å; F536-V564 WeakPolarHBondContact CA-O 3.34Å
537M88.3Confident79.5Confident112 Ų11275.1 Ų75.155%0.55242%0.419SS*.  trans-104-58.1179-64.3-173.9167.700112.9G535 V564 P566G535-M537 PolarHBondContact O-N 3.21Å; M537-V564 PolarHBondContact N-O 2.64Å; M537-P566 HydrophobicContact CE-CB 3.79Å; M537-P566 HydrophobicContact CE-CG 4.36Å
538F91.7Very high82.3Confident38 Ų3871.7 Ų71.717%0.16739%0.391CS..EExtended strand (participates in β ladder)trans-158.8166.6-177.655.8-87.8000111.1F536 V540 V564 L578 R606F536-F538 WeakPolarHBondContact CE2-O 3.44Å; F536-F538 VanDerWaalsContact CZ-C 3.46Å; F538-V540 HydrophobicContact CD2-CG1 3.76Å; F538-V540 HydrophobicContact CE2-CG1 3.54Å; F538-V564 HydrophobicContact CD1-CB 4.47Å; F538-V564 HydrophobicContact CD2-CB 4.28Å; F538-V564 HydrophobicContact CD2-CG2 3.92Å; F538-V564 HydrophobicContact CE1-CB 4.3Å; F538-V564 HydrophobicContact CE1-CG1 3.99Å; F538-V564 HydrophobicContact CE2-CB 4.13Å; F538-V564 HydrophobicContact CE2-CG1 4.28Å; F538-V564 HydrophobicContact CE2-CG2 3.67Å; F538-V564 HydrophobicContact CG-CB 4.44Å; F538-V564 HydrophobicContact CZ-CB 4.12Å; F538-V564 HydrophobicContact CZ-CG1 3.81Å; F538-V564 HydrophobicContact CZ-CG2 4.07Å; F538-V564 WeakPolarHBondContact O-CB 3.21Å; F538-V564 PolarHBondContact O-N 2.82Å; F538-L578 HydrophobicContact CE2-CD1 4.38Å; F538-L578 HydrophobicContact CZ-CD1 4.3Å; F538-R606 HydrophobicContact CD2-CG 3.97Å; F538-R606 HydrophobicContact CE2-CG 4.04Å; F538-R606 VanDerWaalsContact CZ-NH2 3.26Å
539K93.6Very high84.5Confident50 Ų5073.1 Ų73.122%0.21738%0.382CS..EExtended strand (participates in β ladder)trans-95.3144.2173.2-65-161.6174.5-167.90111F536 V561 V562 L563 E583 V607F536-K539 HydrophobicContact CE2-CG 3.95Å; F536-K539 HydrophobicContact CZ-CG 3.81Å; K539-V561 HydrophobicContact CD-CG1 4.08Å; K539-V562 WeakPolarHBondContact CA-O 3.37Å; K539-L563 HydrophobicContact CD-CD2 4.06Å; K539-L563 HydrophobicContact CG-CD2 3.86Å; K539-E583 IonicContact NZ-OE1 3.38Å; K539-E583 PolarHBondContact NZ-OE1 2.88Å; K539-E583 IonicContact NZ-OE2 2.7Å; K539-E583 PolarHBondContact NZ-OE2 3.48Å; K539-V607 HydrophobicContact CB-CB 4.01Å; K539-V607 PolarHBondContact O-N 3.29Å
540V94.4Very high87Confident1 Ų167 Ų671%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-127.6153.7163.9-58.80000110.4F538 V561 V562 V564 F599 T604 E605 R606F538-V540 HydrophobicContact CD2-CG1 3.76Å; F538-V540 HydrophobicContact CE2-CG1 3.54Å; V540-V561 WeakPolarHBondContact O-CA 3.49Å; V540-V562 HydrophobicContact CG2-CB 3.85Å; V540-V562 PolarHBondContact N-O 3.13Å; V540-V562 PolarHBondContact O-N 2.98Å; V540-V564 HydrophobicContact CG1-CG2 3.98Å; V540-V564 HydrophobicContact CG2-CG2 4.04Å; V540-F599 HydrophobicContact CG2-CE2 3.85Å; V540-F599 HydrophobicContact CG2-CZ 3.79Å; V540-T604 HydrophobicContact CG2-CG2 4.08Å; V540-E605 CarbonylContact C-O 3.54Å; V540-E605 WeakPolarHBondContact CA-O 3.5Å; V540-E605 WeakPolarHBondContact CB-O 3.33Å; V540-R606 HydrophobicContact CG1-CG 4.12Å
541Q95.4Very high88.3Confident74 Ų7468.2 Ų68.235%0.34638%0.379SS..EExtended strand (participates in β ladder)trans-114.2131.8170.1-177164.345.700109.2Q543 G559 D560 V561 T604 E605 V607Q541-Q543 PolarHBondContact O-N 3.05Å; Q541-G559 PolarHBondContact NE2-O 3.19Å; Q541-D560 CarbonylContact C-O 3.55Å; Q541-D560 WeakPolarHBondContact CA-O 3.37Å; Q541-V561 HydrophobicContact CG-CG2 4.47Å; Q541-T604 CarbonylContact O-C 3.59Å; Q541-T604 VanDerWaalsContact O-CA 3.25Å; Q541-T604 WeakPolarHBondContact O-CA 3.44Å; Q541-E605 PolarHBondContact N-O 3.44Å; Q541-E605 PolarHBondContact O-N 3.29Å; Q541-V607 HydrophobicContact CB-CG2 3.65Å
542A94.7Very high89.1Confident1 Ų168.3 Ų68.31%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-67.4123.8175.700000110.4L556 K557 A558 G559 D560A542-L556 HydrophobicContact CB-CB 3.98Å; A542-L556 HydrophobicContact CB-CD1 4Å; A542-K557 VanDerWaalsContact CB-O 3.3Å; A542-K557 WeakPolarHBondContact CB-O 3.13Å; A542-A558 CarbonylContact O-C 3.59Å; A542-A558 WeakPolarHBondContact O-CA 3.45Å; A542-G559 PolarHBondContact O-N 3.31Å; A542-D560 HydrophobicContact CB-CB 4.31Å; A542-D560 PolarHBondContact N-O 3.17Å
543Q93.6Very high89.5Confident86 Ų8667 Ų6740%0.40237%0.371SS..SBendtrans-85.6-22.8176.1-70.3-63.2-9.600112.1Q541 F603 E605Q541-Q543 PolarHBondContact O-N 3.05Å; Q543-F603 PolarHBondContact N-O 3.38Å; Q543-E605 HydrophobicContact CG-CB 4.02Å; Q543-E605 PolarHBondContact NE2-OE2 3.48Å
544H88.9Confident89.9Confident110 Ų11067.6 Ų67.651%0.50938%0.375SS..SBendtrans-135.3152.9-175.6-61-22.5000111.1Y546 F603H544-Y546 PolarHBondContact O-N 3.02Å; H544-F603 HydrophobicContact CB-CD1 3.73Å; H544-F603 HydrophobicContact CB-CE1 4.16Å
545D92Very high90.5Very high84 Ų8466.8 Ų66.845%0.44936%0.362SS..  trans-66.5129168.1-87.738000109.3K557 A558D545-K557 VanDerWaalsContact OD1-CA 3.31Å; D545-K557 WeakPolarHBondContact OD1-CA 3.48Å; D545-K557 IonicContact OD2-NZ 3.61Å; D545-K557 PolarHBondContact OD2-NZ 3.42Å; D545-A558 PolarHBondContact OD1-N 2.88Å
546Y92.3Very high91Very high24 Ų2464.5 Ų64.59%0.09434%0.339CS..BIsolated β-bridgetrans-125.7125.9177.4173-101.5000109.7H544 E553 Q555 L556 W577 P600 F603H544-Y546 PolarHBondContact O-N 3.02Å; Y546-E553 PolarHBondContact OH-OE1 2.95Å; Y546-E553 VanDerWaalsContact OH-OE1 3.12Å; Y546-E553 PolarHBondContact OH-OE2 2.78Å; Y546-E553 VanDerWaalsContact OH-OE2 3.11Å; Y546-Q555 CarbonylContact O-C 3.53Å; Y546-Q555 PolarHBondContact O-NE2 2.9Å; Y546-L556 PolarHBondContact N-O 2.87Å; Y546-L556 PolarHBondContact O-N 2.99Å; Y546-L556 VanDerWaalsContact O-O 3.05Å; Y546-W577 WeakPolarHBondContact OH-CH2 3.31Å; Y546-P600 HydrophobicContact CD2-CG 3.78Å; Y546-P600 HydrophobicContact CE2-CG 3.8Å; Y546-P600 HydrophobicContact CG-CG 4.22Å; Y546-F603 HydrophobicContact CD2-CD1 4.32Å; Y546-F603 HydrophobicContact CD2-CE1 4.3Å
547T91.5Very high91.2Very high91 Ų9166.6 Ų66.656%0.55835%0.348SS*.  trans-103.1123.1-176.3-62.60000110.7
548A89.7Confident91.4Very high33 Ų3364 Ų6427%0.27335%0.345SS..  trans-64.4135.5176.200000110.7E553 Q555A548-E553 HydrophobicContact CB-CB 3.84Å; A548-E553 WeakPolarHBondContact CB-O 3.43Å; A548-Q555 HydrophobicContact CB-CB 4.14Å
549T84.9Confident91.3Very high117 Ų11764 Ų6472%0.71836%0.356SS*.  trans-113.6-22.5-176.872.70000112.3E553T549-E553 VanDerWaalsContact CA-OE2 3.31Å; T549-E553 WeakPolarHBondContact CA-OE2 3.41Å; T549-E553 WeakPolarHBondContact CB-OE2 3.44Å; T549-E553 PolarHBondContact N-OE2 2.84Å; T549-E553 PolarHBondContact OG1-OE1 3.39Å; T549-E553 PolarHBondContact OG1-OE2 3.04Å
550D88.9Confident91.3Very high103 Ų10363.6 Ų63.655%0.55136%0.356SS*.SBendtrans-127.2-179.6167.2-144.8-44.8000111.4E553D550-E553 PolarHBondContact N-OE2 3.03Å
551T84.8Confident91.2Very high143 Ų14365.3 Ų65.388%0.87737%0.366SS*.SBendtrans-85.5-12.7-167.8490000114.7
552D86.1Confident91.2Very high94 Ų9461.8 Ų61.850%0.50335%0.35SS..SBendtrans-102.2-6.5173.460.3-25.4000113.4G597 V598D552-G597 CarbonylContact O-C 3.54Å; D552-G597 WeakPolarHBondContact O-CA 3.25Å; D552-V598 PolarHBondContact O-N 3.09Å
553E92.3Very high91.1Very high36 Ų3661.8 Ų61.817%0.16835%0.35CS..BIsolated β-bridgetrans-80.6133.7176.2-70.7-177.5157.700112.5Y546 A548 T549 D550 Q555 W577 V598Y546-E553 PolarHBondContact OH-OE1 2.95Å; Y546-E553 VanDerWaalsContact OH-OE1 3.12Å; Y546-E553 PolarHBondContact OH-OE2 2.78Å; Y546-E553 VanDerWaalsContact OH-OE2 3.11Å; A548-E553 HydrophobicContact CB-CB 3.84Å; A548-E553 WeakPolarHBondContact CB-O 3.43Å; T549-E553 VanDerWaalsContact CA-OE2 3.31Å; T549-E553 WeakPolarHBondContact CA-OE2 3.41Å; T549-E553 WeakPolarHBondContact CB-OE2 3.44Å; T549-E553 PolarHBondContact N-OE2 2.84Å; T549-E553 PolarHBondContact OG1-OE1 3.39Å; T549-E553 PolarHBondContact OG1-OE2 3.04Å; D550-E553 PolarHBondContact N-OE2 3.03Å; E553-Q555 PolarHBondContact O-N 3.44Å; E553-W577 HydrophobicContact CG-CZ3 4.33Å; E553-W577 WeakPolarHBondContact OE1-CH2 3.38Å; E553-V598 CarbonylContact C-O 3.53Å; E553-V598 WeakPolarHBondContact CA-O 3.4Å; E553-V598 HydrophobicContact CG-CG2 3.93Å
554L91.3Very high91.1Very high17 Ų1757.8 Ų57.89%0.08933%0.331CS..  trans-88.7102.2-179.9-172.868000111L556 V562 K582 V598 F599L554-L556 HydrophobicContact CD2-CD2 3.89Å; L554-L556 HydrophobicContact CG-CD2 3.89Å; L554-L556 WeakPolarHBondContact O-CG 3.35Å; L554-L556 PolarHBondContact O-N 3.44Å; L554-V562 HydrophobicContact CD2-CG1 3.84Å; L554-V562 HydrophobicContact CD2-CG2 4.46Å; L554-K582 HydrophobicContact CD1-CG 4.38Å; L554-K582 HydrophobicContact CD2-CG 4.3Å; L554-V598 PolarHBondContact N-O 3.26Å; L554-F599 HydrophobicContact CB-CB 4.45Å; L554-F599 HydrophobicContact CD2-CD1 4.18Å
555Q92.8Very high91.3Very high76 Ų7653 Ų5336%0.35531%0.309SS..  trans-54.2119172.2172.180.953.300111.6Y546 A548 E553 K582Y546-Q555 CarbonylContact O-C 3.53Å; Y546-Q555 PolarHBondContact O-NE2 2.9Å; A548-Q555 HydrophobicContact CB-CB 4.14Å; E553-Q555 PolarHBondContact O-N 3.44Å; Q555-K582 WeakPolarHBondContact O-CE 3.34Å; Q555-K582 PolarHBondContact O-NZ 3.45Å
556L94.2Very high91.2Very high0 Ų052 Ų520%031%0.307CS..BIsolated β-bridgetrans-112157.1177.8-51.3-178.5000112.7A542 Y546 L554 V562 F599 T604A542-L556 HydrophobicContact CB-CB 3.98Å; A542-L556 HydrophobicContact CB-CD1 4Å; Y546-L556 PolarHBondContact N-O 2.87Å; Y546-L556 PolarHBondContact O-N 2.99Å; Y546-L556 VanDerWaalsContact O-O 3.05Å; L554-L556 HydrophobicContact CD2-CD2 3.89Å; L554-L556 HydrophobicContact CG-CD2 3.89Å; L554-L556 WeakPolarHBondContact O-CG 3.35Å; L554-L556 PolarHBondContact O-N 3.44Å; L556-V562 HydrophobicContact CD1-CG2 4.41Å; L556-V562 HydrophobicContact CD2-CG2 3.64Å; L556-F599 HydrophobicContact CD1-CB 3.95Å; L556-F599 HydrophobicContact CD1-CD2 3.92Å; L556-F599 HydrophobicContact CD1-CG 4.03Å; L556-F599 HydrophobicContact CG-CB 4.44Å; L556-T604 HydrophobicContact CD1-CG2 3.96Å
557K93.2Very high90.9Very high108 Ų10851.8 Ų51.847%0.4731%0.307SS..  trans-122.2148.5165.4-64-164.4142.8-66.90110.7A542 D545 G559 D560A542-K557 VanDerWaalsContact CB-O 3.3Å; A542-K557 WeakPolarHBondContact CB-O 3.13Å; D545-K557 VanDerWaalsContact OD1-CA 3.31Å; D545-K557 WeakPolarHBondContact OD1-CA 3.48Å; D545-K557 IonicContact OD2-NZ 3.61Å; D545-K557 PolarHBondContact OD2-NZ 3.42Å; K557-G559 PolarHBondContact O-N 2.99Å; K557-G559 VanDerWaalsContact O-N 3.16Å; K557-D560 PolarHBondContact N-OD2 3.49Å; K557-D560 VanDerWaalsContact O-CB 3.26Å; K557-D560 WeakPolarHBondContact O-CB 3.39Å; K557-D560 PolarHBondContact O-N 3.46Å
558A92.1Very high90.5Very high58 Ų5854.9 Ų54.948%0.47932%0.315SS..THydrogen-bonded Turntrans-56.2121.5174.700000110.5A542 D545A542-A558 CarbonylContact O-C 3.59Å; A542-A558 WeakPolarHBondContact O-CA 3.45Å; D545-A558 PolarHBondContact OD1-N 2.88Å
559G90.4Very high89.9Confident39 Ų3955.9 Ų55.940%0.40232%0.316SS..THydrogen-bonded Turntrans101-15.3-172.900000115.5Q541 A542 K557 V561Q541-G559 PolarHBondContact NE2-O 3.19Å; A542-G559 PolarHBondContact O-N 3.31Å; K557-G559 PolarHBondContact O-N 2.99Å; K557-G559 VanDerWaalsContact O-N 3.16Å; G559-V561 PolarHBondContact O-N 3.28Å
560D93.8Very high89.6Confident40 Ų4055.5 Ų55.521%0.21432%0.315CS..  trans-62.1133.7176.5-76.9-12.7000111Q541 A542 K557 K582Q541-D560 CarbonylContact C-O 3.55Å; Q541-D560 WeakPolarHBondContact CA-O 3.37Å; A542-D560 HydrophobicContact CB-CB 4.31Å; A542-D560 PolarHBondContact N-O 3.17Å; K557-D560 PolarHBondContact N-OD2 3.49Å; K557-D560 VanDerWaalsContact O-CB 3.26Å; K557-D560 WeakPolarHBondContact O-CB 3.39Å; K557-D560 PolarHBondContact O-N 3.46Å; D560-K582 WeakPolarHBondContact OD2-CE 3.43Å; D560-K582 IonicContact OD2-NZ 3.69Å; D560-K582 PolarHBondContact OD2-NZ 3.23Å
561V92.9Very high89Confident37 Ų3759.1 Ų59.122%0.22433%0.329CS..EExtended strand (participates in β ladder)trans-97.4128.5174.1-178.80000109.9K539 V540 Q541 G559 E583K539-V561 HydrophobicContact CD-CG1 4.08Å; V540-V561 WeakPolarHBondContact O-CA 3.49Å; Q541-V561 HydrophobicContact CG-CG2 4.47Å; G559-V561 PolarHBondContact O-N 3.28Å; V561-E583 HydrophobicContact CB-CB 4.3Å; V561-E583 HydrophobicContact CG1-CB 4.25Å; V561-E583 WeakPolarHBondContact CG1-OE2 3.39Å; V561-E583 PolarHBondContact O-N 3.38Å
562V94Very high88.7Confident0 Ų058.1 Ų58.10%031%0.314CS..EExtended strand (participates in β ladder)trans-117.2136.1-178.5-169.50000109.9K539 V540 L554 L556 F599K539-V562 WeakPolarHBondContact CA-O 3.37Å; V540-V562 HydrophobicContact CG2-CB 3.85Å; V540-V562 PolarHBondContact N-O 3.13Å; V540-V562 PolarHBondContact O-N 2.98Å; L554-V562 HydrophobicContact CD2-CG1 3.84Å; L554-V562 HydrophobicContact CD2-CG2 4.46Å; L556-V562 HydrophobicContact CD1-CG2 4.41Å; L556-V562 HydrophobicContact CD2-CG2 3.64Å; V562-F599 HydrophobicContact CB-CE1 4.48Å; V562-F599 HydrophobicContact CB-CZ 4.4Å; V562-F599 HydrophobicContact CG1-CD1 4.27Å; V562-F599 HydrophobicContact CG1-CE1 3.63Å; V562-F599 HydrophobicContact CG1-CZ 3.98Å
563L93.4Very high88.6Confident1 Ų158.6 Ų58.61%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-94.9110.8176-53-177.2000107.9L532 P533 F536 K539 G580 V581 E583 W586L532-L563 HydrophobicContact CD2-CD1 4.46Å; P533-L563 HydrophobicContact CG-CB 4Å; P533-L563 HydrophobicContact CG-CD1 3.92Å; F536-L563 HydrophobicContact CD2-CB 3.96Å; F536-L563 HydrophobicContact CD2-CD2 4.44Å; F536-L563 HydrophobicContact CE2-CB 4.12Å; F536-L563 HydrophobicContact CE2-CD2 3.93Å; K539-L563 HydrophobicContact CD-CD2 4.06Å; K539-L563 HydrophobicContact CG-CD2 3.86Å; L563-G580 WeakPolarHBondContact O-CA 3.48Å; L563-V581 HydrophobicContact CB-CG1 4.2Å; L563-V581 PolarHBondContact N-O 2.66Å; L563-V581 PolarHBondContact O-N 3.47Å; L563-E583 HydrophobicContact CD1-CB 4.3Å; L563-E583 HydrophobicContact CD1-CG 4.47Å; L563-E583 HydrophobicContact CD2-CB 4.07Å; L563-E583 HydrophobicContact CD2-CG 4.39Å; L563-E583 HydrophobicContact CG-CB 4.05Å; L563-W586 HydrophobicContact CD1-CB 4.31Å; L563-W586 HydrophobicContact CD1-CG 4.17Å
564V93.6Very high88.2Confident3 Ų362.6 Ų62.62%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-80136.5-176.6-174.30000110.2F536 M537 F538 V540 L578 F599F536-V564 WeakPolarHBondContact CA-O 3.34Å; M537-V564 PolarHBondContact N-O 2.64Å; F538-V564 HydrophobicContact CD1-CB 4.47Å; F538-V564 HydrophobicContact CD2-CB 4.28Å; F538-V564 HydrophobicContact CD2-CG2 3.92Å; F538-V564 HydrophobicContact CE1-CB 4.3Å; F538-V564 HydrophobicContact CE1-CG1 3.99Å; F538-V564 HydrophobicContact CE2-CB 4.13Å; F538-V564 HydrophobicContact CE2-CG1 4.28Å; F538-V564 HydrophobicContact CE2-CG2 3.67Å; F538-V564 HydrophobicContact CG-CB 4.44Å; F538-V564 HydrophobicContact CZ-CB 4.12Å; F538-V564 HydrophobicContact CZ-CG1 3.81Å; F538-V564 HydrophobicContact CZ-CG2 4.07Å; F538-V564 WeakPolarHBondContact O-CB 3.21Å; F538-V564 PolarHBondContact O-N 2.82Å; V540-V564 HydrophobicContact CG1-CG2 3.98Å; V540-V564 HydrophobicContact CG2-CG2 4.04Å; V564-L578 HydrophobicContact CG1-CB 4.49Å; V564-L578 HydrophobicContact CG1-CD2 4.43Å; V564-L578 HydrophobicContact CG2-CD1 4.41Å; V564-F599 HydrophobicContact CG2-CZ 4.16Å
565I92.5Very high87.9Confident10 Ų1071.1 Ų71.15%0.05138%0.375CS..EExtended strand (participates in β ladder)trans-132.4157.9-178.665-177.4000109.4P533 M579 L592 R596P533-I565 HydrophobicContact CB-CG2 4.37Å; P533-I565 HydrophobicContact CG-CG2 4.16Å; I565-M579 HydrophobicContact CD1-CG 4.01Å; I565-M579 HydrophobicContact CG1-CB 4.32Å; I565-M579 HydrophobicContact CG1-CG 3.67Å; I565-M579 PolarHBondContact N-O 2.94Å; I565-L592 HydrophobicContact CD1-CD1 4Å; I565-L592 HydrophobicContact CD1-CD2 4.4Å; I565-L592 HydrophobicContact CD1-CG 4.41Å; I565-R596 HydrophobicContact CD1-CB 4.11Å
566P90.1Very high87.6Confident62 Ų6268.9 Ų68.940%0.40337%0.373SS..  trans-61.5150172.125.1-34.5000111.7G535 M537G535-P566 WeakPolarHBondContact O-CD 3.01Å; M537-P566 HydrophobicContact CE-CB 3.79Å; M537-P566 HydrophobicContact CE-CG 4.36Å
567F86.8Confident87.6Confident19 Ų1972.2 Ų72.28%0.08339%0.385CS..  trans-62.5141.1161.5-74.2-105.1000109.8N569 E572 Q573 M579 V598F567-N569 PolarHBondContact O-N 3.05Å; F567-E572 HydrophobicContact CD1-CB 4.4Å; F567-E572 WeakPolarHBondContact CE1-O 3.31Å; F567-Q573 HydrophobicContact CD1-CB 4.24Å; F567-Q573 HydrophobicContact CD2-CB 3.69Å; F567-Q573 HydrophobicContact CD2-CG 3.76Å; F567-Q573 HydrophobicContact CE1-CB 4.33Å; F567-Q573 HydrophobicContact CE2-CB 3.81Å; F567-Q573 HydrophobicContact CE2-CG 3.47Å; F567-Q573 VanDerWaalsContact CE2-CG 3.47Å; F567-Q573 HydrophobicContact CG-CB 3.93Å; F567-Q573 HydrophobicContact CG-CG 4.48Å; F567-Q573 HydrophobicContact CZ-CB 4.13Å; F567-Q573 HydrophobicContact CZ-CG 3.97Å; F567-M579 HydrophobicContact CD1-CB 4.28Å; F567-M579 HydrophobicContact CD1-CE 4Å; F567-M579 HydrophobicContact CD2-CB 3.84Å; F567-M579 HydrophobicContact CE1-CB 4.21Å; F567-M579 HydrophobicContact CE1-CE 4.05Å; F567-M579 HydrophobicContact CE2-CB 3.76Å; F567-M579 HydrophobicContact CG-CB 4.1Å; F567-M579 HydrophobicContact CZ-CB 3.95Å; F567-V598 HydrophobicContact CE1-CG1 3.71Å; F567-V598 HydrophobicContact CZ-CG1 4.06Å
568Q82.3Confident87.5Confident157 Ų15767.6 Ų67.673%0.73437%0.366SS*.SBendtrans-67.6-23.3-179.6-171.356.470.200112.4
569N78.4Confident87.6Confident54 Ų5466.1 Ų66.129%0.28935%0.349SS..SBendtrans-133.2118.1170.818023.4000108.6F567 E571 E572F567-N569 PolarHBondContact O-N 3.05Å; N569-E571 PolarHBondContact O-N 2.89Å; N569-E571 VanDerWaalsContact O-N 3.15Å; N569-E572 HydrophobicContact CB-CG 4.28Å; N569-E572 WeakPolarHBondContact CB-OE1 3.47Å; N569-E572 PolarHBondContact ND2-OE1 2.95Å; N569-E572 PolarHBondContact O-N 2.81Å; N569-E572 VanDerWaalsContact O-N 3.11Å
570P78Confident87.7Confident108 Ų10864.3 Ų64.370%0.70133%0.33SS*.G310 helixtrans-62.5-20.5-177.3-25.835.8000115.1E572 Q573P570-E572 PolarHBondContact O-N 2.72Å; P570-Q573 PolarHBondContact O-N 3.05Å
571E76.4Confident87.7Confident180 Ų18062.4 Ų62.484%0.84132%0.32SS*.G310 helixtrans-74.7-7.5176.9-59.3-177.4169.300113.5N569N569-E571 PolarHBondContact O-N 2.89Å; N569-E571 VanDerWaalsContact O-N 3.15Å
572E78.8Confident87.7Confident122 Ų12261.8 Ų61.857%0.5731%0.314SS*.G310 helixtrans-98.43.7177.2-71.3157.3-150.100112.8F567 N569 P570 D574F567-E572 HydrophobicContact CD1-CB 4.4Å; F567-E572 WeakPolarHBondContact CE1-O 3.31Å; N569-E572 HydrophobicContact CB-CG 4.28Å; N569-E572 WeakPolarHBondContact CB-OE1 3.47Å; N569-E572 PolarHBondContact ND2-OE1 2.95Å; N569-E572 PolarHBondContact O-N 2.81Å; N569-E572 VanDerWaalsContact O-N 3.11Å; P570-E572 PolarHBondContact O-N 2.72Å; E572-D574 PolarHBondContact O-N 2.78Å
573Q82.9Confident87.5Confident103 Ų10363.5 Ų63.548%0.48132%0.323SS..  trans-87.694.7176.7-176.9164.28.600111.4F567 P570F567-Q573 HydrophobicContact CD1-CB 4.24Å; F567-Q573 HydrophobicContact CD2-CB 3.69Å; F567-Q573 HydrophobicContact CD2-CG 3.76Å; F567-Q573 HydrophobicContact CE1-CB 4.33Å; F567-Q573 HydrophobicContact CE2-CB 3.81Å; F567-Q573 HydrophobicContact CE2-CG 3.47Å; F567-Q573 VanDerWaalsContact CE2-CG 3.47Å; F567-Q573 HydrophobicContact CG-CB 3.93Å; F567-Q573 HydrophobicContact CG-CG 4.48Å; F567-Q573 HydrophobicContact CZ-CB 4.13Å; F567-Q573 HydrophobicContact CZ-CG 3.97Å; P570-Q573 PolarHBondContact O-N 3.05Å
574D84.6Confident87.3Confident120 Ų12066 Ų6664%0.64234%0.34SS*.  trans-67.1146.2169.6-83.9-28.8000112.1E572 G576 W577E572-D574 PolarHBondContact O-N 2.78Å; D574-G576 PolarHBondContact O-N 2.72Å; D574-W577 HydrophobicContact CB-CG 4.45Å; D574-W577 PolarHBondContact O-N 3.46Å; D574-W577 VanDerWaalsContact O-N 3.17Å
575E83.7Confident87Confident197 Ų19768.1 Ų68.192%0.92135%0.351SS*.THydrogen-bonded Turntrans-61.8129.6-180-68.8-170.4149.900111.8
576G88.2Confident86.7Confident29 Ų2968.5 Ų68.530%0.29935%0.352SS..THydrogen-bonded Turntrans81.68.9-177.700000115.1D574 P600 E601D574-G576 PolarHBondContact O-N 2.72Å; G576-P600 CarbonylContact O-C 3.4Å; G576-P600 WeakPolarHBondContact O-CA 3.2Å; G576-E601 PolarHBondContact O-N 2.77Å
577W93.1Very high86.4Confident69 Ų6970.2 Ų70.226%0.26136%0.358SS..EExtended strand (participates in β ladder)trans-114.8145.8174-66.782.7000112.6Y546 E553 D574 V598Y546-W577 WeakPolarHBondContact OH-CH2 3.31Å; E553-W577 HydrophobicContact CG-CZ3 4.33Å; E553-W577 WeakPolarHBondContact OE1-CH2 3.38Å; D574-W577 HydrophobicContact CB-CG 4.45Å; D574-W577 PolarHBondContact O-N 3.46Å; D574-W577 VanDerWaalsContact O-N 3.17Å; W577-V598 HydrophobicContact CE3-CB 4.11Å; W577-V598 HydrophobicContact CE3-CG2 4.06Å; W577-V598 HydrophobicContact CZ3-CG2 4.17Å
578L92.2Very high86.1Confident12 Ų1275.9 Ų75.96%0.06339%0.385CS..EExtended strand (participates in β ladder)trans-125.3145.9177.7-66178000110.6F538 V564 V598 F599 E601F538-L578 HydrophobicContact CE2-CD1 4.38Å; F538-L578 HydrophobicContact CZ-CD1 4.3Å; V564-L578 HydrophobicContact CG1-CB 4.49Å; V564-L578 HydrophobicContact CG1-CD2 4.43Å; V564-L578 HydrophobicContact CG2-CD1 4.41Å; L578-V598 CarbonylContact O-C 3.57Å; L578-V598 VanDerWaalsContact O-CA 3.3Å; L578-V598 WeakPolarHBondContact O-CA 3.38Å; L578-F599 HydrophobicContact CB-CD1 4.47Å; L578-F599 HydrophobicContact CB-CD2 4.47Å; L578-F599 HydrophobicContact CB-CE1 3.84Å; L578-F599 HydrophobicContact CB-CE2 3.84Å; L578-F599 HydrophobicContact CB-CZ 3.5Å; L578-F599 HydrophobicContact CD1-CE2 3.96Å; L578-F599 HydrophobicContact CD1-CZ 3.97Å; L578-F599 HydrophobicContact CG-CE2 4.45Å; L578-F599 HydrophobicContact CG-CZ 4.38Å; L578-F599 PolarHBondContact N-O 3.47Å; L578-F599 VanDerWaalsContact O-CD1 3.3Å; L578-F599 WeakPolarHBondContact O-CD1 3.29Å; L578-F599 PolarHBondContact O-N 2.69Å; L578-E601 HydrophobicContact CD1-CB 3.99Å; L578-E601 HydrophobicContact CD1-CG 3.76Å; L578-E601 HydrophobicContact CG-CB 4Å; L578-E601 HydrophobicContact CG-CG 4.22Å
579M92.9Very high85.7Confident27 Ų2773.7 Ų73.713%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-94.8135.2171.1-179.664.969.800109.5I565 F567 R596 V598I565-M579 HydrophobicContact CD1-CG 4.01Å; I565-M579 HydrophobicContact CG1-CB 4.32Å; I565-M579 HydrophobicContact CG1-CG 3.67Å; I565-M579 PolarHBondContact N-O 2.94Å; F567-M579 HydrophobicContact CD1-CB 4.28Å; F567-M579 HydrophobicContact CD1-CE 4Å; F567-M579 HydrophobicContact CD2-CB 3.84Å; F567-M579 HydrophobicContact CE1-CB 4.21Å; F567-M579 HydrophobicContact CE1-CE 4.05Å; F567-M579 HydrophobicContact CE2-CB 3.76Å; F567-M579 HydrophobicContact CG-CB 4.1Å; F567-M579 HydrophobicContact CZ-CB 3.95Å; M579-R596 HydrophobicContact SD-CB 4.17Å; M579-R596 HydrophobicContact SD-CG 4.2Å; M579-V598 HydrophobicContact CE-CG1 3.51Å; M579-V598 HydrophobicContact SD-CG1 4.3Å
580G93.5Very high85.6Confident0 Ų076.5 Ų76.50%038%0.384CS..EExtended strand (participates in β ladder)trans-167.1177.1178.900000114.8L563 R596 G597L563-G580 WeakPolarHBondContact O-CA 3.48Å; G580-R596 CarbonylContact O-C 3.59Å; G580-R596 WeakPolarHBondContact O-CA 3.4Å; G580-G597 PolarHBondContact N-O 3.42Å; G580-G597 PolarHBondContact O-N 2.99Å
581V93.4Very high85.3Confident0 Ų075.9 Ų75.90%037%0.371CS..EExtended strand (participates in β ladder)trans-132.2141174.156.80000109P533 L563 W586 L592 C595P533-V581 HydrophobicContact CB-CG1 4.31Å; P533-V581 HydrophobicContact CG-CG1 4.09Å; L563-V581 HydrophobicContact CB-CG1 4.2Å; L563-V581 PolarHBondContact N-O 2.66Å; L563-V581 PolarHBondContact O-N 3.47Å; V581-W586 HydrophobicContact CG1-CB 4.3Å; V581-W586 HydrophobicContact CG1-CE3 4.49Å; V581-W586 HydrophobicContact CG2-CB 4.03Å; V581-L592 HydrophobicContact CB-CD1 4.4Å; V581-L592 HydrophobicContact CG1-CD1 3.93Å; V581-C595 HydrophobicContact CG2-CB 3.72Å; V581-C595 WeakPolarHBondContact CG2-O 3.44Å
582K93Very high85.3Confident24 Ų2468.8 Ų68.810%0.10434%0.339CS..EExtended strand (participates in β ladder)trans-64.2140176.3-61.3-167.1-173.7-173.20111.2L554 Q555 D560 S584 D585 W586L554-K582 HydrophobicContact CD1-CG 4.38Å; L554-K582 HydrophobicContact CD2-CG 4.3Å; Q555-K582 WeakPolarHBondContact O-CE 3.34Å; Q555-K582 PolarHBondContact O-NZ 3.45Å; D560-K582 WeakPolarHBondContact OD2-CE 3.43Å; D560-K582 IonicContact OD2-NZ 3.69Å; D560-K582 PolarHBondContact OD2-NZ 3.23Å; K582-S584 WeakPolarHBondContact CB-OG 3.39Å; K582-S584 PolarHBondContact O-N 2.94Å; K582-D585 HydrophobicContact CB-CB 4.13Å; K582-D585 PolarHBondContact O-N 3.28Å; K582-D585 VanDerWaalsContact O-N 3.1Å; K582-W586 WeakPolarHBondContact O-CB 3.39Å; K582-W586 PolarHBondContact O-N 3.42Å
583E90.6Very high84.9Confident37 Ų3769 Ų6917%0.17334%0.34CS..Hα-helixtrans-62.7-32.4174.3-177.2157.9-140.200111.6K539 V561 L563 D585 N587K539-E583 IonicContact NZ-OE1 3.38Å; K539-E583 PolarHBondContact NZ-OE1 2.88Å; K539-E583 IonicContact NZ-OE2 2.7Å; K539-E583 PolarHBondContact NZ-OE2 3.48Å; V561-E583 HydrophobicContact CB-CB 4.3Å; V561-E583 HydrophobicContact CG1-CB 4.25Å; V561-E583 WeakPolarHBondContact CG1-OE2 3.39Å; V561-E583 PolarHBondContact O-N 3.38Å; L563-E583 HydrophobicContact CD1-CB 4.3Å; L563-E583 HydrophobicContact CD1-CG 4.47Å; L563-E583 HydrophobicContact CD2-CB 4.07Å; L563-E583 HydrophobicContact CD2-CG 4.39Å; L563-E583 HydrophobicContact CG-CB 4.05Å; E583-D585 VanDerWaalsContact C-N 3.33Å; E583-D585 PolarHBondContact O-N 3.42Å; E583-N587 VanDerWaalsContact CG-ND2 3.35Å; E583-N587 WeakPolarHBondContact CG-ND2 3.4Å; E583-N587 VanDerWaalsContact O-CB 3.29Å; E583-N587 WeakPolarHBondContact O-CB 3.41Å; E583-N587 VanDerWaalsContact O-CG 3.29Å; E583-N587 PolarHBondContact O-N 3.4Å; E583-N587 PolarHBondContact O-ND2 3.25Å
584S88.2Confident84.4Confident54 Ų5471.4 Ų71.438%0.37835%0.349SS..Hα-helixtrans-59.1-43.3171.952.70000112.7K582 Q588K582-S584 WeakPolarHBondContact CB-OG 3.39Å; K582-S584 PolarHBondContact O-N 2.94Å; S584-Q588 WeakPolarHBondContact O-CG 3.49Å; S584-Q588 PolarHBondContact O-N 3.17Å; S584-Q588 PolarHBondContact O-NE2 2.99Å
585D86.4Confident84.3Confident47 Ų4766.8 Ų66.825%0.25133%0.326SS..Hα-helixtrans-89.6-35.2-165.6-55.3-4.5000109.9K582 E583 Q588 H589K582-D585 HydrophobicContact CB-CB 4.13Å; K582-D585 PolarHBondContact O-N 3.28Å; K582-D585 VanDerWaalsContact O-N 3.1Å; E583-D585 VanDerWaalsContact C-N 3.33Å; E583-D585 PolarHBondContact O-N 3.42Å; D585-Q588 PolarHBondContact O-N 3.3Å; D585-H589 PolarHBondContact O-N 3.37Å; D585-H589 PolarHBondContact O-ND1 2.76Å
586W87.1Confident84.5Confident18 Ų1861 Ų617%0.06830%0.296CS..Hα-helixtrans-58.1-48.1167.8179.9-108.1000111.9D531 P533 L563 V581 K582 Q588 K590 L592D531-W586 PolarHBondContact O-NE1 2.8Å; P533-W586 HydrophobicContact CB-CD2 4.03Å; P533-W586 HydrophobicContact CB-CE3 4.13Å; P533-W586 HydrophobicContact CB-CH2 4.1Å; P533-W586 HydrophobicContact CB-CZ2 3.98Å; P533-W586 HydrophobicContact CB-CZ3 4.16Å; P533-W586 HydrophobicContact CG-CD2 4.47Å; L563-W586 HydrophobicContact CD1-CB 4.31Å; L563-W586 HydrophobicContact CD1-CG 4.17Å; V581-W586 HydrophobicContact CG1-CB 4.3Å; V581-W586 HydrophobicContact CG1-CE3 4.49Å; V581-W586 HydrophobicContact CG2-CB 4.03Å; K582-W586 WeakPolarHBondContact O-CB 3.39Å; K582-W586 PolarHBondContact O-N 3.42Å; W586-Q588 PolarHBondContact O-N 2.99Å; W586-K590 HydrophobicContact CH2-CB 4.49Å; W586-K590 WeakPolarHBondContact CH2-O 3.29Å; W586-K590 VanDerWaalsContact CZ3-O 3.26Å; W586-K590 WeakPolarHBondContact CZ3-O 3.41Å; W586-K590 WeakPolarHBondContact O-CA 3.47Å; W586-K590 WeakPolarHBondContact O-CG 3.37Å; W586-K590 PolarHBondContact O-N 3.15Å; W586-L592 HydrophobicContact CE3-CD1 4.26Å; W586-L592 HydrophobicContact CZ3-CB 3.92Å; W586-L592 HydrophobicContact CZ3-CD1 4.06Å
587N83.7Confident84.7Confident97 Ų9759.9 Ų59.952%0.51928%0.284SS..Hα-helixtrans-64.9-22.4178.4-80.2-48.8000113.7E583E583-N587 VanDerWaalsContact CG-ND2 3.35Å; E583-N587 WeakPolarHBondContact CG-ND2 3.4Å; E583-N587 VanDerWaalsContact O-CB 3.29Å; E583-N587 WeakPolarHBondContact O-CB 3.41Å; E583-N587 VanDerWaalsContact O-CG 3.29Å; E583-N587 PolarHBondContact O-N 3.4Å; E583-N587 PolarHBondContact O-ND2 3.25Å
588Q79.8Confident84.7Confident139 Ų13957.5 Ų57.565%0.6528%0.277SS*.Hα-helixtrans-91.5-44.3178.9-75.9172.489.100113.1S584 D585 W586S584-Q588 WeakPolarHBondContact O-CG 3.49Å; S584-Q588 PolarHBondContact O-N 3.17Å; S584-Q588 PolarHBondContact O-NE2 2.99Å; D585-Q588 PolarHBondContact O-N 3.3Å; W586-Q588 PolarHBondContact O-N 2.99Å
589H74.9Confident84.8Confident110 Ų11056.9 Ų56.951%0.50927%0.274SS..Hα-helixtrans-107.2-31.7-169.2-57.3106.7000114.5D585 E591D585-H589 PolarHBondContact O-N 3.37Å; D585-H589 PolarHBondContact O-ND1 2.76Å; H589-E591 PolarHBondContact O-N 3.36Å
590K75.3Confident84.8Confident113 Ų11356.2 Ų56.249%0.49127%0.271SS..  trans52.99.3-172.6-58.5-169.3177.9-168.60116.7D531 W586D531-K590 IonicContact OD2-NZ 3.76Å; D531-K590 PolarHBondContact OD2-NZ 3.35Å; W586-K590 HydrophobicContact CH2-CB 4.49Å; W586-K590 WeakPolarHBondContact CH2-O 3.29Å; W586-K590 VanDerWaalsContact CZ3-O 3.26Å; W586-K590 WeakPolarHBondContact CZ3-O 3.41Å; W586-K590 WeakPolarHBondContact O-CA 3.47Å; W586-K590 WeakPolarHBondContact O-CG 3.37Å; W586-K590 PolarHBondContact O-N 3.15Å
591E73.6Confident84.7Confident95 Ų9559.8 Ų59.844%0.44429%0.288SS..  trans-96.790.3178.8-71.6-176.3148.100111H589 E593 K594H589-E591 PolarHBondContact O-N 3.36Å; E591-E593 VanDerWaalsContact C-N 3.28Å; E591-E593 PolarHBondContact O-N 2.86Å; E591-K594 PolarHBondContact O-N 2.91Å; E591-K594 VanDerWaalsContact O-N 3.15Å; E591-K594 IonicContact OE1-NZ 3.72Å; E591-K594 PolarHBondContact OE1-NZ 3.1Å; E591-K594 VanDerWaalsContact OE1-NZ 3.08Å; E591-K594 VanDerWaalsContact OE2-CD 3.27Å; E591-K594 WeakPolarHBondContact OE2-CD 3.38Å; E591-K594 VanDerWaalsContact OE2-CE 3.26Å; E591-K594 WeakPolarHBondContact OE2-CE 3.21Å; E591-K594 IonicContact OE2-NZ 3.27Å; E591-K594 PolarHBondContact OE2-NZ 3.48Å
592L74.4Confident84.6Confident31 Ų3166.6 Ų66.616%0.16232%0.324CS..Hα-helixtrans-55.2-40.9-173.6-167.565000113.2P533 I565 V581 W586 K594 C595 R596P533-L592 HydrophobicContact CB-CD1 3.82Å; I565-L592 HydrophobicContact CD1-CD1 4Å; I565-L592 HydrophobicContact CD1-CD2 4.4Å; I565-L592 HydrophobicContact CD1-CG 4.41Å; V581-L592 HydrophobicContact CB-CD1 4.4Å; V581-L592 HydrophobicContact CG1-CD1 3.93Å; W586-L592 HydrophobicContact CE3-CD1 4.26Å; W586-L592 HydrophobicContact CZ3-CB 3.92Å; W586-L592 HydrophobicContact CZ3-CD1 4.06Å; L592-K594 PolarHBondContact O-N 2.66Å; L592-C595 PolarHBondContact O-N 3.19Å; L592-R596 PolarHBondContact O-N 3.1Å; L592-R596 VanDerWaalsContact O-N 3.14Å
593E70.8Confident84.4Confident128 Ų12868.8 Ų68.860%0.59833%0.334SS*.Hα-helixtrans-63.1-21.6-177.5-62.6-60.4123.400114.5E591 R596E591-E593 VanDerWaalsContact C-N 3.28Å; E591-E593 PolarHBondContact O-N 2.86Å; E593-R596 IonicContact OE1-CZ 3.07Å; E593-R596 IonicContact OE1-NH1 3.84Å; E593-R596 PolarHBondContact OE1-NH1 3.48Å; E593-R596 IonicContact OE1-NH2 3.72Å; E593-R596 IonicContact OE2-CZ 3.08Å; E593-R596 IonicContact OE2-NH1 3.14Å; E593-R596 PolarHBondContact OE2-NH1 3.28Å; E593-R596 IonicContact OE2-NH2 3.74Å; E593-R596 PolarHBondContact OE2-NH2 2.98Å
594K74.1Confident84.4Confident152 Ų15268 Ų6866%0.66133%0.332SS*.Hα-helixtrans-106.1-10.2-177.4-60.3-173.4-160.2151.40114.1E591 L592E591-K594 PolarHBondContact O-N 2.91Å; E591-K594 VanDerWaalsContact O-N 3.15Å; E591-K594 IonicContact OE1-NZ 3.72Å; E591-K594 PolarHBondContact OE1-NZ 3.1Å; E591-K594 VanDerWaalsContact OE1-NZ 3.08Å; E591-K594 VanDerWaalsContact OE2-CD 3.27Å; E591-K594 WeakPolarHBondContact OE2-CD 3.38Å; E591-K594 VanDerWaalsContact OE2-CE 3.26Å; E591-K594 WeakPolarHBondContact OE2-CE 3.21Å; E591-K594 IonicContact OE2-NZ 3.27Å; E591-K594 PolarHBondContact OE2-NZ 3.48Å; L592-K594 PolarHBondContact O-N 2.66Å
595C80.8Confident84.6Confident24 Ų2471.2 Ų71.216%0.16234%0.341CS..Hα-helixtrans-125-3.7-173.2-59.40000114V581 L592V581-C595 HydrophobicContact CG2-CB 3.72Å; V581-C595 WeakPolarHBondContact CG2-O 3.44Å; L592-C595 PolarHBondContact O-N 3.19Å
596R89.1Confident84.7Confident76 Ų7676.1 Ų76.129%0.28736%0.356SS..EExtended strand (participates in β ladder)trans-77.4152.4169.772.6170.3177.3-111.1-18.1111.7I565 M579 G580 L592 E593I565-R596 HydrophobicContact CD1-CB 4.11Å; M579-R596 HydrophobicContact SD-CB 4.17Å; M579-R596 HydrophobicContact SD-CG 4.2Å; G580-R596 CarbonylContact O-C 3.59Å; G580-R596 WeakPolarHBondContact O-CA 3.4Å; L592-R596 PolarHBondContact O-N 3.1Å; L592-R596 VanDerWaalsContact O-N 3.14Å; E593-R596 IonicContact OE1-CZ 3.07Å; E593-R596 IonicContact OE1-NH1 3.84Å; E593-R596 PolarHBondContact OE1-NH1 3.48Å; E593-R596 IonicContact OE1-NH2 3.72Å; E593-R596 IonicContact OE2-CZ 3.08Å; E593-R596 IonicContact OE2-NH1 3.14Å; E593-R596 PolarHBondContact OE2-NH1 3.28Å; E593-R596 IonicContact OE2-NH2 3.74Å; E593-R596 PolarHBondContact OE2-NH2 2.98Å
597G92Very high84.7Confident4 Ų477.9 Ų77.94%0.04137%0.368CS..EExtended strand (participates in β ladder)trans-166.5170.8167.400000112.1D552 G580D552-G597 CarbonylContact O-C 3.54Å; D552-G597 WeakPolarHBondContact O-CA 3.25Å; G580-G597 PolarHBondContact N-O 3.42Å; G580-G597 PolarHBondContact O-N 2.99Å
598V93.7Very high83.9Confident19 Ų1982.4 Ų82.412%0.11540%0.403CS..EExtended strand (participates in β ladder)trans-86.2145.7176.6-62.20000111.8D552 E553 L554 F567 W577 L578 M579D552-V598 PolarHBondContact O-N 3.09Å; E553-V598 CarbonylContact C-O 3.53Å; E553-V598 WeakPolarHBondContact CA-O 3.4Å; E553-V598 HydrophobicContact CG-CG2 3.93Å; L554-V598 PolarHBondContact N-O 3.26Å; F567-V598 HydrophobicContact CE1-CG1 3.71Å; F567-V598 HydrophobicContact CZ-CG1 4.06Å; W577-V598 HydrophobicContact CE3-CB 4.11Å; W577-V598 HydrophobicContact CE3-CG2 4.06Å; W577-V598 HydrophobicContact CZ3-CG2 4.17Å; L578-V598 CarbonylContact O-C 3.57Å; L578-V598 VanDerWaalsContact O-CA 3.3Å; L578-V598 WeakPolarHBondContact O-CA 3.38Å; M579-V598 HydrophobicContact CE-CG1 3.51Å; M579-V598 HydrophobicContact SD-CG1 4.3Å
599F93.8Very high84.1Confident0 Ų079.6 Ų79.60%039%0.391CS..EExtended strand (participates in β ladder)trans-147.4152.817564.1-85.6000110.9V540 L554 L556 V562 V564 L578 E601 T604V540-F599 HydrophobicContact CG2-CE2 3.85Å; V540-F599 HydrophobicContact CG2-CZ 3.79Å; L554-F599 HydrophobicContact CB-CB 4.45Å; L554-F599 HydrophobicContact CD2-CD1 4.18Å; L556-F599 HydrophobicContact CD1-CB 3.95Å; L556-F599 HydrophobicContact CD1-CD2 3.92Å; L556-F599 HydrophobicContact CD1-CG 4.03Å; L556-F599 HydrophobicContact CG-CB 4.44Å; V562-F599 HydrophobicContact CB-CE1 4.48Å; V562-F599 HydrophobicContact CB-CZ 4.4Å; V562-F599 HydrophobicContact CG1-CD1 4.27Å; V562-F599 HydrophobicContact CG1-CE1 3.63Å; V562-F599 HydrophobicContact CG1-CZ 3.98Å; V564-F599 HydrophobicContact CG2-CZ 4.16Å; L578-F599 HydrophobicContact CB-CD1 4.47Å; L578-F599 HydrophobicContact CB-CD2 4.47Å; L578-F599 HydrophobicContact CB-CE1 3.84Å; L578-F599 HydrophobicContact CB-CE2 3.84Å; L578-F599 HydrophobicContact CB-CZ 3.5Å; L578-F599 HydrophobicContact CD1-CE2 3.96Å; L578-F599 HydrophobicContact CD1-CZ 3.97Å; L578-F599 HydrophobicContact CG-CE2 4.45Å; L578-F599 HydrophobicContact CG-CZ 4.38Å; L578-F599 PolarHBondContact N-O 3.47Å; L578-F599 VanDerWaalsContact O-CD1 3.3Å; L578-F599 WeakPolarHBondContact O-CD1 3.29Å; L578-F599 PolarHBondContact O-N 2.69Å; F599-E601 PolarHBondContact O-N 3.35Å; F599-T604 HydrophobicContact CD2-CG2 3.68Å; F599-T604 HydrophobicContact CE2-CG2 3.57Å
600P92.3Very high84.6Confident13 Ų1377.9 Ų77.98%0.08438%0.384CS..EExtended strand (participates in β ladder)trans-73.4126.9-179.127.1-33.1000111.8Y546 G576 N602 F603Y546-P600 HydrophobicContact CD2-CG 3.78Å; Y546-P600 HydrophobicContact CE2-CG 3.8Å; Y546-P600 HydrophobicContact CG-CG 4.22Å; G576-P600 CarbonylContact O-C 3.4Å; G576-P600 WeakPolarHBondContact O-CA 3.2Å; P600-N602 VanDerWaalsContact C-N 3.26Å; P600-N602 PolarHBondContact O-N 3.19Å; P600-F603 HydrophobicContact CB-CD2 4.01Å; P600-F603 HydrophobicContact CG-CB 4.14Å; P600-F603 HydrophobicContact CG-CD2 3.62Å; P600-F603 HydrophobicContact CG-CE2 4.24Å; P600-F603 HydrophobicContact CG-CG 3.92Å; P600-F603 PolarHBondContact O-N 3.13Å; P600-F603 VanDerWaalsContact O-N 3.12Å
601E91.9Very high85.1Confident75 Ų7576 Ų7635%0.3538%0.378SS..G310 helixtrans-56.6-41.6-179.1-174.5163.5-15100111.5G576 L578 F599 F603 T604G576-E601 PolarHBondContact O-N 2.77Å; L578-E601 HydrophobicContact CD1-CB 3.99Å; L578-E601 HydrophobicContact CD1-CG 3.76Å; L578-E601 HydrophobicContact CG-CB 4Å; L578-E601 HydrophobicContact CG-CG 4.22Å; F599-E601 PolarHBondContact O-N 3.35Å; E601-F603 PolarHBondContact O-N 3.14Å; E601-T604 PolarHBondContact O-N 3.45Å; E601-T604 PolarHBondContact O-OG1 3.23Å
602N90.6Very high85.8Confident142 Ų14274.9 Ų74.976%0.75938%0.375SS*.G310 helixtrans-58.9-13.2179.9-67-63000115P600P600-N602 VanDerWaalsContact C-N 3.26Å; P600-N602 PolarHBondContact O-N 3.19Å
603F88.5Confident86.5Confident71 Ų7177.6 Ų77.631%0.31139%0.388SS..G310 helixtrans-93.92.9175.8-79.9-119.1000112.4Q543 H544 Y546 P600 E601Q543-F603 PolarHBondContact N-O 3.38Å; H544-F603 HydrophobicContact CB-CD1 3.73Å; H544-F603 HydrophobicContact CB-CE1 4.16Å; Y546-F603 HydrophobicContact CD2-CD1 4.32Å; Y546-F603 HydrophobicContact CD2-CE1 4.3Å; P600-F603 HydrophobicContact CB-CD2 4.01Å; P600-F603 HydrophobicContact CG-CB 4.14Å; P600-F603 HydrophobicContact CG-CD2 3.62Å; P600-F603 HydrophobicContact CG-CE2 4.24Å; P600-F603 HydrophobicContact CG-CG 3.92Å; P600-F603 PolarHBondContact O-N 3.13Å; P600-F603 VanDerWaalsContact O-N 3.12Å; E601-F603 PolarHBondContact O-N 3.14Å
604T91.3Very high87.5Confident21 Ų2174.3 Ų74.313%0.12937%0.374CS..EExtended strand (participates in β ladder)trans-135.9152.5-170.972.80000112.9V540 Q541 L556 F599 E601V540-T604 HydrophobicContact CG2-CG2 4.08Å; Q541-T604 CarbonylContact O-C 3.59Å; Q541-T604 VanDerWaalsContact O-CA 3.25Å; Q541-T604 WeakPolarHBondContact O-CA 3.44Å; L556-T604 HydrophobicContact CD1-CG2 3.96Å; F599-T604 HydrophobicContact CD2-CG2 3.68Å; F599-T604 HydrophobicContact CE2-CG2 3.57Å; E601-T604 PolarHBondContact O-N 3.45Å; E601-T604 PolarHBondContact O-OG1 3.23Å
605E92.8Very high88.5Confident120 Ų12068.7 Ų68.756%0.56135%0.353SS*.EExtended strand (participates in β ladder)trans-120.5142.8174.1-173.1174.3-165.900110V540 Q541 Q543 V607V540-E605 CarbonylContact C-O 3.54Å; V540-E605 WeakPolarHBondContact CA-O 3.5Å; V540-E605 WeakPolarHBondContact CB-O 3.33Å; Q541-E605 PolarHBondContact N-O 3.44Å; Q541-E605 PolarHBondContact O-N 3.29Å; Q543-E605 HydrophobicContact CG-CB 4.02Å; Q543-E605 PolarHBondContact NE2-OE2 3.48Å; E605-V607 PolarHBondContact O-N 3.28Å
606R89.2Confident89.1Confident150 Ų15072.2 Ų72.257%0.56637%0.368SS*.EExtended strand (participates in β ladder)trans-69.6128.5179.1-70.6-171.4-178.6-151.50.8111.2F538 V540F538-R606 HydrophobicContact CD2-CG 3.97Å; F538-R606 HydrophobicContact CE2-CG 4.04Å; F538-R606 VanDerWaalsContact CZ-NH2 3.26Å; V540-R606 HydrophobicContact CG1-CG 4.12Å
607V85.9Confident89.1Confident55 Ų5571.8 Ų71.833%0.33338%0.375SS..EExtended strand (participates in β ladder)trans-89.3127.4172.7-175.40000108.4K539 Q541 E605K539-V607 HydrophobicContact CB-CB 4.01Å; K539-V607 PolarHBondContact O-N 3.29Å; Q541-V607 HydrophobicContact CB-CG2 3.65Å; E605-V607 PolarHBondContact O-N 3.28Å
608P67.3Low88.8Confident192 Ų19278 Ų78100%1.24741%0.405SS*.  trans-74.60179.532.3-36.6000113.9

Retrieved 608 of 608 residues in 205.9 ms (Link to these results)

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