A0A077ZHX1_TRITR Loading...

ZNF380 coiled-coil domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 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
1M60.8Low69Low245 Ų245124.4 Ų124.4100%1.20776%0.757SS**  092.70-69164.210600106.4
2S69.8Low69.7Low122 Ų122123.4 Ų123.485%0.85374%0.743SS**PPolyproline II helixtrans-82.6132.1176-72.30000108.9A4S2-A4 PolarHBondContact O-N 3.39Å
3P70.6Confident70.5Confident117 Ų117124.4 Ų124.476%0.7673%0.734SS**PPolyproline II helixtrans-72.8123.2175.329.7-31000109
4A70Confident71.4Confident97 Ų97120.1 Ų120.180%0.80272%0.72SS**PPolyproline II helixtrans-71.2130.317000000109.2S2 P6S2-A4 PolarHBondContact O-N 3.39Å; A4-P6 WeakPolarHBondContact O-CD 3.42Å
5N69.8Low72.3Confident146 Ų146121.3 Ų121.378%0.78172%0.717SS**PPolyproline II helixtrans-73.4120.8-179.5-69.3-49.8000110.7L7N5-L7 VanDerWaalsContact C-N 3.25Å; N5-L7 PolarHBondContact O-N 3.44Å
6P70.6Confident73.2Confident114 Ų114121.6 Ų121.674%0.7471%0.711SS**  trans-87.229.1-179.335.7-35.9000113.7A4A4-P6 WeakPolarHBondContact O-CD 3.42Å
7L63.3Low74.2Confident154 Ų154121.1 Ų121.181%0.80670%0.703SS**  trans-106.54.3-165-124.5133.5000115.4N5N5-L7 VanDerWaalsContact C-N 3.25Å; N5-L7 PolarHBondContact O-N 3.44Å
8A64.5Low75.1Confident67 Ų67116.6 Ų116.655%0.55469%0.688SS**SBendtrans-106-14.5-176.100000115.3
9E65.7Low76Confident152 Ų152114.4 Ų114.471%0.7168%0.676SS**Hα-helixtrans-68.7-39.5-175.4-76-176.815600115.8A11 I12 E13E9-A11 VanDerWaalsContact C-N 3.27Å; E9-A11 PolarHBondContact O-N 3.23Å; E9-I12 PolarHBondContact O-N 3.28Å; E9-E13 PolarHBondContact O-N 2.69Å
10P76.9Confident76.8Confident87 Ų87113.3 Ų113.357%0.56567%0.669SS**Hα-helixtrans-71.6-21.4-172.528-34.5000113.6A14P10-A14 WeakPolarHBondContact O-CB 3.26Å; P10-A14 PolarHBondContact O-N 3.17Å
11A76.7Confident77.7Confident67 Ų67111.5 Ų111.555%0.55466%0.66SS**Hα-helixtrans-72.9-35.1179.700000112.2E9 M15E9-A11 VanDerWaalsContact C-N 3.27Å; E9-A11 PolarHBondContact O-N 3.23Å; A11-M15 PolarHBondContact O-N 2.8Å
12I77.9Confident79.3Confident113 Ų113103.4 Ų103.458%0.57963%0.626SS**Hα-helixtrans-73.5-41.1-179.7-60.4174.6000109.8E9 A14 M15 M16E9-I12 PolarHBondContact O-N 3.28Å; I12-A14 PolarHBondContact O-N 3.22Å; I12-M15 PolarHBondContact O-N 3.25Å; I12-M16 WeakPolarHBondContact O-CG 3.24Å; I12-M16 PolarHBondContact O-N 3.19Å
13E80.3Confident80.5Confident136 Ų136101.4 Ų101.464%0.63661%0.609SS**Hα-helixtrans-62.9-42.7176.2-68.4-171.3162.800112.2E9 M15 M16 I17E9-E13 PolarHBondContact O-N 2.69Å; E13-M15 VanDerWaalsContact C-N 3.32Å; E13-M15 PolarHBondContact O-N 3.06Å; E13-M16 PolarHBondContact O-N 2.85Å; E13-I17 VanDerWaalsContact O-CG1 3.3Å; E13-I17 WeakPolarHBondContact O-CG1 3.16Å; E13-I17 PolarHBondContact O-N 3Å
14A82.6Confident81.6Confident64 Ų6499.5 Ų99.553%0.52960%0.595SS.*Hα-helixtrans-63.7-37.2177.600000112.6P10 I12 G18P10-A14 WeakPolarHBondContact O-CB 3.26Å; P10-A14 PolarHBondContact O-N 3.17Å; I12-A14 PolarHBondContact O-N 3.22Å; A14-G18 PolarHBondContact O-N 3.07Å
15M84.8Confident82.9Confident139 Ų139100.2 Ų100.269%0.68559%0.585SS**Hα-helixtrans-67.9-41.6177.4-168.1-179.9-68.200111.7A11 I12 E13 G18 T19A11-M15 PolarHBondContact O-N 2.8Å; I12-M15 PolarHBondContact O-N 3.25Å; E13-M15 VanDerWaalsContact C-N 3.32Å; E13-M15 PolarHBondContact O-N 3.06Å; M15-G18 PolarHBondContact O-N 3.1Å; M15-T19 WeakPolarHBondContact O-CG2 3.2Å; M15-T19 PolarHBondContact O-N 2.89Å; M15-T19 PolarHBondContact O-OG1 3.24Å
16M86.8Confident84.2Confident125 Ų12598.2 Ų98.262%0.61657%0.574SS**Hα-helixtrans-65-39.7177.2-70.9-85.3-82.400112.2I12 E13 G18 T19 V20I12-M16 WeakPolarHBondContact O-CG 3.24Å; I12-M16 PolarHBondContact O-N 3.19Å; E13-M16 PolarHBondContact O-N 2.85Å; M16-G18 VanDerWaalsContact C-N 3.34Å; M16-T19 PolarHBondContact O-OG1 3.21Å; M16-V20 VanDerWaalsContact O-CG2 3.27Å; M16-V20 WeakPolarHBondContact O-CG2 3.38Å; M16-V20 PolarHBondContact O-N 2.9Å; M16-V20 VanDerWaalsContact O-N 3.16Å
17I90.8Very high85.3Confident113 Ų11397.5 Ų97.558%0.57956%0.563SS**Hα-helixtrans-65.9-41.4175.6-64.8163.3000110.2E13 T19 V20 V21E13-I17 VanDerWaalsContact O-CG1 3.3Å; E13-I17 WeakPolarHBondContact O-CG1 3.16Å; E13-I17 PolarHBondContact O-N 3Å; I17-T19 PolarHBondContact O-N 3.41Å; I17-V20 PolarHBondContact O-N 3.11Å; I17-V21 HydrophobicContact CG2-CG2 4.44Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.34Å; I17-V21 PolarHBondContact O-N 2.89Å
18G90.6Very high86.9Confident41 Ų4192.6 Ų92.642%0.42354%0.544SS..Hα-helixtrans-60.6-43.8177.400000113.4A14 M15 M16 V21 C22A14-G18 PolarHBondContact O-N 3.07Å; M15-G18 PolarHBondContact O-N 3.1Å; M16-G18 VanDerWaalsContact C-N 3.34Å; G18-V21 PolarHBondContact O-N 3.25Å; G18-C22 WeakPolarHBondContact O-CB 3.33Å; G18-C22 PolarHBondContact O-N 3.49Å
19T91.6Very high88.3Confident75 Ų7592.9 Ų92.946%0.4654%0.539SS..Hα-helixtrans-67.8-41.5178.954.40000112M15 M16 I17 V21 C22 V23M15-T19 WeakPolarHBondContact O-CG2 3.2Å; M15-T19 PolarHBondContact O-N 2.89Å; M15-T19 PolarHBondContact O-OG1 3.24Å; M16-T19 PolarHBondContact O-OG1 3.21Å; I17-T19 PolarHBondContact O-N 3.41Å; T19-V21 PolarHBondContact O-N 3.26Å; T19-C22 PolarHBondContact O-N 3.29Å; T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.42Å; T19-V23 PolarHBondContact O-N 3.31Å
20V92.2Very high89.6Confident91 Ų9189.2 Ų89.255%0.55253%0.527SS*.Hα-helixtrans-63.2-41.6177.5174.10000111.4M16 I17 T24M16-V20 VanDerWaalsContact O-CG2 3.27Å; M16-V20 WeakPolarHBondContact O-CG2 3.38Å; M16-V20 PolarHBondContact O-N 2.9Å; M16-V20 VanDerWaalsContact O-N 3.16Å; I17-V20 PolarHBondContact O-N 3.11Å; V20-T24 HydrophobicContact CG1-CG2 4.48Å; V20-T24 WeakPolarHBondContact O-CB 3.38Å; V20-T24 VanDerWaalsContact O-CG2 3.31Å; V20-T24 WeakPolarHBondContact O-CG2 3.35Å; V20-T24 PolarHBondContact O-N 3.25Å; V20-T24 PolarHBondContact O-OG1 3.29Å
21V95Very high90.4Very high76 Ų7689.1 Ų89.146%0.46153%0.525SS..Hα-helixtrans-65.5-40.1175.7174.50000111.4I17 G18 T19 T24 L25I17-V21 HydrophobicContact CG2-CG2 4.44Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.34Å; I17-V21 PolarHBondContact O-N 2.89Å; G18-V21 PolarHBondContact O-N 3.25Å; T19-V21 PolarHBondContact O-N 3.26Å; V21-T24 WeakPolarHBondContact CA-OG1 3.33Å; V21-T24 PolarHBondContact O-OG1 3.47Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CB 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.32Å; V21-L25 PolarHBondContact O-N 2.96Å; V21-L25 VanDerWaalsContact O-N 3.07Å
22C94.6Very high91.2Very high75 Ų7589.9 Ų89.951%0.50752%0.523SS..Hα-helixtrans-65.9-45.1178.5-162.70000112.1G18 T19 L25 L26G18-C22 WeakPolarHBondContact O-CB 3.33Å; G18-C22 PolarHBondContact O-N 3.49Å; T19-C22 PolarHBondContact O-N 3.29Å; C22-L25 PolarHBondContact O-N 2.86Å; C22-L26 PolarHBondContact O-N 2.96Å
23V95.1Very high91.8Very high80 Ų8090.5 Ų90.549%0.48553%0.526SS..Hα-helixtrans-66.2-42.3179173.40000111.3T19 L25 L26 I27T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.42Å; T19-V23 PolarHBondContact O-N 3.31Å; V23-L25 PolarHBondContact O-N 3.14Å; V23-L26 PolarHBondContact O-N 3.47Å; V23-I27 HydrophobicContact CG1-CD1 3.79Å; V23-I27 HydrophobicContact CG1-CG1 4.4Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.42Å; V23-I27 PolarHBondContact O-N 2.83Å
24T94.6Very high92.2Very high78 Ų7890.4 Ų90.448%0.47953%0.529SS..Hα-helixtrans-64.8-37.617748.50000112.7V20 V21 A28V20-T24 HydrophobicContact CG1-CG2 4.48Å; V20-T24 WeakPolarHBondContact O-CB 3.38Å; V20-T24 VanDerWaalsContact O-CG2 3.31Å; V20-T24 WeakPolarHBondContact O-CG2 3.35Å; V20-T24 PolarHBondContact O-N 3.25Å; V20-T24 PolarHBondContact O-OG1 3.29Å; V21-T24 WeakPolarHBondContact CA-OG1 3.33Å; V21-T24 PolarHBondContact O-OG1 3.47Å; T24-A28 WeakPolarHBondContact O-CB 3.38Å; T24-A28 PolarHBondContact O-N 3.01Å
25L96.3Very high92.5Very high111 Ų11191.1 Ų91.158%0.58154%0.535SS*.Hα-helixtrans-64.8-43172.4-76.9169.5000111.9V21 C22 V23 A28 T29V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CB 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.32Å; V21-L25 PolarHBondContact O-N 2.96Å; V21-L25 VanDerWaalsContact O-N 3.07Å; C22-L25 PolarHBondContact O-N 2.86Å; V23-L25 PolarHBondContact O-N 3.14Å; L25-A28 PolarHBondContact O-N 2.78Å; L25-T29 WeakPolarHBondContact O-CG2 3.21Å; L25-T29 PolarHBondContact O-N 2.66Å; L25-T29 PolarHBondContact O-OG1 3.04Å
26L96.7Very high92.4Very high104 Ų10488.7 Ų88.755%0.54553%0.531SS..Hα-helixtrans-59.3-49.8175.3-98.2165.7000111.6C22 V23 A28 T29 V30C22-L26 PolarHBondContact O-N 2.96Å; V23-L26 PolarHBondContact O-N 3.47Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.2Å; L26-T29 PolarHBondContact O-N 3.45Å; L26-T29 VanDerWaalsContact O-N 3.16Å; L26-T29 PolarHBondContact O-OG1 3.37Å; L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 2.87Å
27I95.5Very high91.8Very high100 Ų10085.7 Ų85.751%0.51353%0.532SS..Hα-helixtrans-59-45.8178.2-65.4166.3000110.5V23 T29 V30 V31V23-I27 HydrophobicContact CG1-CD1 3.79Å; V23-I27 HydrophobicContact CG1-CG1 4.4Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.42Å; V23-I27 PolarHBondContact O-N 2.83Å; I27-T29 VanDerWaalsContact C-N 3.31Å; I27-T29 PolarHBondContact O-N 3.41Å; I27-V30 PolarHBondContact O-N 3.18Å; I27-V31 HydrophobicContact CG2-CG2 4.23Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.31Å; I27-V31 PolarHBondContact O-N 3.2Å
28A94.8Very high90.8Very high50 Ų5083.8 Ų83.841%0.41354%0.54SS..Hα-helixtrans-60.8-38.5178.100000112.7T24 L25 L26 T32T24-A28 WeakPolarHBondContact O-CB 3.38Å; T24-A28 PolarHBondContact O-N 3.01Å; L25-A28 PolarHBondContact O-N 2.78Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.2Å; A28-T32 WeakPolarHBondContact O-CB 3.33Å; A28-T32 PolarHBondContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 3.36Å
29T94.5Very high89.4Confident74 Ų7486.9 Ų86.945%0.45455%0.554SS.*Hα-helixtrans-67.8-41.517658.70000112.5L25 L26 I27 T32 L33L25-T29 WeakPolarHBondContact O-CG2 3.21Å; L25-T29 PolarHBondContact O-N 2.66Å; L25-T29 PolarHBondContact O-OG1 3.04Å; L26-T29 PolarHBondContact O-N 3.45Å; L26-T29 VanDerWaalsContact O-N 3.16Å; L26-T29 PolarHBondContact O-OG1 3.37Å; I27-T29 VanDerWaalsContact C-N 3.31Å; I27-T29 PolarHBondContact O-N 3.41Å; T29-T32 PolarHBondContact O-N 3.49Å; T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.12Å
30V94.3Very high88.1Confident74 Ų7495.1 Ų95.145%0.44858%0.577SS.*Hα-helixtrans-64.8-46177.21740000110.7L26 I27 T32 L33 L34L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 2.87Å; I27-V30 PolarHBondContact O-N 3.18Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 2.99Å; V30-L33 PolarHBondContact O-N 2.9Å; V30-L34 HydrophobicContact CG1-CD1 3.99Å; V30-L34 HydrophobicContact CG1-CG 4.49Å; V30-L34 WeakPolarHBondContact O-CG 3.31Å; V30-L34 PolarHBondContact O-N 3.4Å
31V93.8Very high86.6Confident86 Ų86102 Ų10252%0.52159%0.593SS.*Hα-helixtrans-60.2-41.6175.6172.50000111.1I27 L34 A35I27-V31 HydrophobicContact CG2-CG2 4.23Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.31Å; I27-V31 PolarHBondContact O-N 3.2Å; V31-L34 PolarHBondContact O-N 2.96Å; V31-A35 VanDerWaalsContact O-CB 3.29Å; V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.3Å
32T92Very high85.4Confident83 Ų83108.5 Ų108.551%0.50962%0.615SS.*Hα-helixtrans-65.4-39.6177.3-57.40000112A28 T29 V30 C36A28-T32 WeakPolarHBondContact O-CB 3.33Å; A28-T32 PolarHBondContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 3.36Å; T29-T32 PolarHBondContact O-N 3.49Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 2.99Å; T32-C36 VanDerWaalsContact O-CB 3.31Å; T32-C36 WeakPolarHBondContact O-CB 3.42Å; T32-C36 PolarHBondContact O-N 2.86Å; T32-C36 PolarHBondContact O-SG 3.04Å
33L90Very high84.3Confident126 Ų126114 Ų11466%0.6663%0.63SS**Hα-helixtrans-67.9-41.5176.8-74.4172.5000112T29 V30 C36 G37T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.12Å; V30-L33 PolarHBondContact O-N 2.9Å; L33-C36 PolarHBondContact O-N 3.43Å; L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 2.83Å
34L89.8Confident83.2Confident133 Ų133118.7 Ų118.770%0.69664%0.644SS**Hα-helixtrans-64.1-43.6174.9-73.3170.5000111.4V30 V31 C36V30-L34 HydrophobicContact CG1-CD1 3.99Å; V30-L34 HydrophobicContact CG1-CG 4.49Å; V30-L34 WeakPolarHBondContact O-CG 3.31Å; V30-L34 PolarHBondContact O-N 3.4Å; V31-L34 PolarHBondContact O-N 2.96Å; L34-C36 PolarHBondContact O-N 3.24Å
35A88.2Confident82.3Confident79 Ų79122.3 Ų122.365%0.65366%0.661SS**Hα-helixtrans-66.3-36.3177.600000113V31V31-A35 VanDerWaalsContact O-CB 3.29Å; V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.3Å
36C84.2Confident80.8Confident89 Ų89122.7 Ų122.760%0.60166%0.663SS**Hα-helixtrans-86.9-22.6-179.4-65.50000113.8T32 L33 L34 G38T32-C36 VanDerWaalsContact O-CB 3.31Å; T32-C36 WeakPolarHBondContact O-CB 3.42Å; T32-C36 PolarHBondContact O-N 2.86Å; T32-C36 PolarHBondContact O-SG 3.04Å; L33-C36 PolarHBondContact O-N 3.43Å; L34-C36 PolarHBondContact O-N 3.24Å; C36-G38 VanDerWaalsContact C-N 3.26Å; C36-G38 PolarHBondContact O-N 3.25Å
37G74.4Confident79.1Confident62 Ų62125.1 Ų125.164%0.63968%0.677SS**THydrogen-bonded Turntrans-66.3-17.4-172.100000115.8L33L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 2.83Å
38G67.8Low77.4Confident72 Ų72126.6 Ų126.674%0.74270%0.696SS**THydrogen-bonded Turntrans-80.5-9.4-177.800000116.2C36 R40C36-G38 VanDerWaalsContact C-N 3.26Å; C36-G38 PolarHBondContact O-N 3.25Å; G38-R40 PolarHBondContact O-N 2.95Å
39C61.5Low75.3Confident106 Ų106130 Ų13072%0.71672%0.716SS**  trans-99.448.9-172.5-73.30000114.2R41C39-R41 PolarHBondContact O-N 3.44Å
40R65.3Low73.5Confident249 Ų249131.8 Ų131.894%0.9473%0.732SS**  trans-76.691.4163.3-96.1-169.4-178.7-146.72.9109.9G38 K42G38-R40 PolarHBondContact O-N 2.95Å; R40-K42 PolarHBondContact O-N 2.73Å
41R61.4Low71.6Confident234 Ų234133.4 Ų133.488%0.88375%0.747SS**  trans-57.7115175.1-68.2177.4-175.6172.91.6111C39 K43C39-R41 PolarHBondContact O-N 3.44Å; R41-K43 PolarHBondContact O-N 3.48Å
42K68.3Low69.8Low213 Ų213134.5 Ų134.593%0.92676%0.758SS**  trans-63.2104.6153-95.9177.2170170.10107.8R40R40-K42 PolarHBondContact O-N 2.73Å
43K72.7Confident67.9Low192 Ų192138 Ų13884%0.83577%0.768SS**  trans-95.3122164.1-161.2171-178.21780106.9R41R41-K43 PolarHBondContact O-N 3.48Å
44K71.5Confident65.7Low177 Ų177141.7 Ų141.777%0.7777%0.773SS**  trans-87.1122-177-159.6177.1-178.5-179.10107.1
45D74.9Confident63.9Low155 Ų155141 Ų14183%0.82978%0.775SS**  trans-84.1108171.2-61.1-49.1000108.1
46D65.9Low62Low118 Ų118145.6 Ų145.663%0.63178%0.783SS**  trans-132.989.7167.3-78.3-50.4000106.3
47D60.6Low60.5Low156 Ų156148.1 Ų148.183%0.83479%0.79SS**  trans-16199.1163.5-92.7-35.2000109.4
48S59.3Low59.6Low130 Ų130153.6 Ų153.691%0.90980%0.796SS**  trans-151.3112.1161.4-76.50000110.1
49S51.4Low59.2Low121 Ų121156.5 Ų156.585%0.84680%0.8SS**  trans-90136.4-174.9-58.10000111.6
50S56.6Low58.9Low113 Ų113156.7 Ų156.779%0.7980%0.8SS**  trans-17393.6161.71690000108.8
51S53.6Low58.1Low107 Ų107151.3 Ų151.375%0.74879%0.794SS**  56.2126.485.7-1670000116.9
52S56.2Low57.9Low109 Ų109146 Ų14676%0.76279%0.79SS**  trans94.897.3156-71.50000121.7
53H52.7Low56.8Low156 Ų156142.9 Ų142.972%0.72278%0.779SS**  65.6111.5108-13123.3000121.3
54R43.8Very low56Low204 Ų204140.6 Ų140.677%0.7778%0.78SS**  94.7130.7119.2-124.9-163.4164.5143.9-6.4121.3
55V53Low54.9Low120 Ų120139.8 Ų139.873%0.72778%0.777SS**  trans80.3127.7149.6-158.70000119.5
56E46.4Very low53.9Low175 Ų175138.1 Ų138.182%0.81877%0.772SS**  trans-64.7147.2175.5-49.4-176.8109.900113.6
57D53.8Low53Low142 Ų142140.2 Ų140.276%0.75978%0.778SS**  -177.4129.7121-103.9-36.8000113.8
58K55.5Low52.3Low176 Ų176141.4 Ų141.477%0.76578%0.779SS**  trans24.7121.7148-69.8162.9-179.4-80.80124
59V59.6Low52Low134 Ų134140.3 Ų140.381%0.81277%0.771SS**  63.1148.3117.2-1720000119.1
60P54.6Low52.2Low110 Ų110142.1 Ų142.171%0.71477%0.771SS**  -133.9178.9-52.640.4-19.3000114.1
61V49.7Very low51.6Low135 Ų135146 Ų14682%0.81877%0.774SS**  trans-30.9144.3170.3-175.70000117.4
62P57.1Low51.8Low123 Ų123147.3 Ų147.380%0.79978%0.779SS**  -144.5157.410634.5-15.6000117.7
63E44.1Very low51.4Low148 Ų148151.2 Ų151.269%0.69278%0.783SS**  trans-52.6136.4175.9-171.9-176.6151.700116.3
64V56.4Low51.2Low143 Ų143150.2 Ų150.287%0.86779%0.788SS**  trans-137.2114.7160.1-179.10000109.6
65K47.7Very low51.5Low161 Ų161149.3 Ų149.370%0.779%0.789SS**  trans-67.6157.6163.5-69.5163.7177.7166.40109.8
66V54.6Low51.2Low120 Ų120148.6 Ų148.673%0.72779%0.789SS**  167.6132.4126.6153.50000112.9
67E47.4Very low51.3Low161 Ų161149.2 Ų149.275%0.75279%0.792SS**  trans55.7121152.8-72.6172.4101.300120.9
68Q44.5Very low51.1Low182 Ų182152 Ų15285%0.8580%0.798SS**  73.1106.958.8-71.2-167.9-8.700115.3
69S54.6Low50.8Low107 Ų107149.2 Ų149.275%0.74880%0.8SS**  trans175.3145.5151.254.90000107.5
70D54.8Low50.5Low159 Ų159152.4 Ų152.485%0.8580%0.803SS**  cis-166.7141.5-20.2-106.5-40.1000104.6
71K44.5Very low50.6Low195 Ų195153 Ų15385%0.84881%0.806SS**  trans-88.2160.2173.7-73.3-177.7177.1-175.70110.6
72P58Low50.8Low133 Ų133156.5 Ų156.586%0.86481%0.811SS**  -139.7155.7122.231.5-15.2000115.9
73K46.7Very low50.7Low192 Ų192155.8 Ų155.884%0.83581%0.809SS**  trans-87.4145.9-179.6-66.1168.2172.4175.50112.1
74T48.1Very low51.6Low135 Ų135158 Ų15883%0.82882%0.818SS**  trans-141.1104.1152.148.50000108.6
75K50.2Low51.8Low185 Ų185157.5 Ų157.580%0.80481%0.81SS**  58.59297.7-68.5-174.3-179.6177.60113
76S47.7Very low52.5Low104 Ų104154.1 Ų154.173%0.72780%0.804SS**  73.6100.895.881.10000115.4
77H47Very low53.1Low189 Ų189156.4 Ų156.488%0.87581%0.807SS**  trans-135.597.8155.9-85.6-80.9000111.1
78K50.4Low53.9Low201 Ų201157.2 Ų157.287%0.87481%0.808SS**  trans27.2105.4135.1-139.1156.5-174.5174.50118.4
79S48.4Very low54.8Low116 Ų116152.3 Ų152.381%0.81179%0.785SS**PPolyproline II helixtrans-57.5132.8159.150.30000112.8
80K54.6Low55Low202 Ų202153 Ų15388%0.87878%0.776SS**PPolyproline II helixtrans-96.5151.3163.9-83.5-177.7178.5179.10110.5
81P56.3Low55.5Low121 Ų121152.2 Ų152.279%0.78677%0.768SS**PPolyproline II helixtrans-82.6142.3-171.433.1-32.8000112.7S83P81-S83 PolarHBondContact O-N 2.72Å
82K53.4Low56.5Low209 Ų209149.7 Ų149.791%0.90976%0.759SS**PPolyproline II helixtrans-63120.8169.1-77.8177.4172.6-178.80110.1
83S56.1Low56.6Low108 Ų108146.2 Ų146.276%0.75573%0.731SS**PPolyproline II helixtrans-74.7125.2168.751.20000110.2P81P81-S83 PolarHBondContact O-N 2.72Å
84H63Low57.4Low194 Ų194142.7 Ų142.790%0.89872%0.718SS**  trans-86.5110.4177.9-149.842.7000108.4
85I60.7Low58.1Low133 Ų133139.7 Ų139.768%0.68270%0.702SS**  trans-79.1132.8176-65.5170.5000108.5Q87I85-Q87 PolarHBondContact O-N 2.88Å
86P62.4Low58.7Low90 Ų90135 Ų13558%0.58469%0.689SS**  trans-70.8124.6-175.525.9-32.2000112.2K88 Q89P86-K88 PolarHBondContact O-N 3.47Å; P86-Q89 PolarHBondContact O-N 3Å
87Q65.9Low59.2Low169 Ų169137 Ų13779%0.7969%0.688SS**THydrogen-bonded Turntrans-52.7-7.4-178.9-150.2176.6300115.8I85I85-Q87 PolarHBondContact O-N 2.88Å
88K65.7Low60Low177 Ų177132.6 Ų132.677%0.7767%0.671SS**Hα-helixtrans-81.1-22.9-178.1-133.5177.9-178.5-174.50113.7P86P86-K88 PolarHBondContact O-N 3.47Å
89Q61.4Low60.8Low79 Ų79126.4 Ų126.437%0.36965%0.651SS.*Hα-helixtrans-81.6-34.5178.8-159.1164.66.800111.7P86 Q91 Q92 Q93P86-Q89 PolarHBondContact O-N 3Å; Q89-Q91 VanDerWaalsContact C-N 3.31Å; Q89-Q91 PolarHBondContact O-N 3.43Å; Q89-Q92 PolarHBondContact O-N 2.95Å; Q89-Q92 VanDerWaalsContact O-N 3.13Å; Q89-Q93 PolarHBondContact O-N 2.87Å; Q89-Q93 VanDerWaalsContact O-N 3.14Å
90Q59.5Low61.4Low121 Ų121127.2 Ų127.257%0.56564%0.641SS**Hα-helixtrans-65.7-32.8177.3-156.1169.629.100112.6Q92 Q94Q90-Q92 VanDerWaalsContact C-N 3.33Å; Q90-Q94 WeakPolarHBondContact O-CG 3.45Å; Q90-Q94 PolarHBondContact O-N 3.23Å
91Q65.6Low62.1Low143 Ų143123.6 Ų123.667%0.66863%0.627SS**Hα-helixtrans-74.1-26176.2-138.4167.733.600112.5Q89 S95Q89-Q91 VanDerWaalsContact C-N 3.31Å; Q89-Q91 PolarHBondContact O-N 3.43Å; Q91-S95 PolarHBondContact O-N 3.12Å
92Q64.9Low63Low142 Ų142123.9 Ų123.966%0.66462%0.616SS**Hα-helixtrans-77.7-38.7177-159.2163.913.600111.1Q89 Q90 S95 V96Q89-Q92 PolarHBondContact O-N 2.95Å; Q89-Q92 VanDerWaalsContact O-N 3.13Å; Q90-Q92 VanDerWaalsContact C-N 3.33Å; Q92-S95 WeakPolarHBondContact O-CB 3.31Å; Q92-S95 PolarHBondContact O-N 3.26Å; Q92-V96 VanDerWaalsContact O-CG2 3.29Å; Q92-V96 WeakPolarHBondContact O-CG2 3.41Å; Q92-V96 PolarHBondContact O-N 3.27Å
93Q60.2Low64Low60 Ų60118.6 Ų118.628%0.2860%0.598SS.*Hα-helixtrans-64-41.3174.2-67.4168.2-6.300112.6Q89 S95 V96 M97 E227Q89-Q93 PolarHBondContact O-N 2.87Å; Q89-Q93 VanDerWaalsContact O-N 3.14Å; Q93-S95 VanDerWaalsContact C-N 3.28Å; Q93-S95 PolarHBondContact O-N 2.95Å; Q93-V96 PolarHBondContact O-N 3.16Å; Q93-M97 PolarHBondContact O-N 3.37Å; Q93-E227 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E227 PolarHBondContact NE2-OE1 3.48Å; Q93-E227 PolarHBondContact NE2-OE2 3.36Å; Q93-E227 PolarHBondContact OE1-OE2 3.01Å
94Q63.5Low64.9Low118 Ų118118 Ų11855%0.55159%0.589SS**Hα-helixtrans-62.3-36175.1-75.4176.2-7.100112.2Q90 V96 M97 D98Q90-Q94 WeakPolarHBondContact O-CG 3.45Å; Q90-Q94 PolarHBondContact O-N 3.23Å; Q94-V96 VanDerWaalsContact C-N 3.32Å; Q94-V96 PolarHBondContact O-N 3.41Å; Q94-M97 PolarHBondContact O-N 3.11Å; Q94-D98 PolarHBondContact O-N 3.45Å; Q94-D98 VanDerWaalsContact O-N 3.13Å
95S64.2Low65.4Low72 Ų72114.7 Ų114.750%0.50357%0.574SS.*Hα-helixtrans-66.1-30177.3178.50000113.7Q91 Q92 Q93 T99Q91-S95 PolarHBondContact O-N 3.12Å; Q92-S95 WeakPolarHBondContact O-CB 3.31Å; Q92-S95 PolarHBondContact O-N 3.26Å; Q93-S95 VanDerWaalsContact C-N 3.28Å; Q93-S95 PolarHBondContact O-N 2.95Å; S95-T99 PolarHBondContact O-OG1 2.82Å
96V61.2Low66.3Low88 Ų88114.6 Ų114.653%0.53357%0.571SS.*Hα-helixtrans-80.8-34.6-179.8-159.80000111Q92 Q93 Q94 T99 H100Q92-V96 VanDerWaalsContact O-CG2 3.29Å; Q92-V96 WeakPolarHBondContact O-CG2 3.41Å; Q92-V96 PolarHBondContact O-N 3.27Å; Q93-V96 PolarHBondContact O-N 3.16Å; Q94-V96 VanDerWaalsContact C-N 3.32Å; Q94-V96 PolarHBondContact O-N 3.41Å; V96-T99 PolarHBondContact O-N 2.85Å; V96-T99 PolarHBondContact O-OG1 3.24Å; V96-H100 PolarHBondContact O-N 3.06Å
97M57.9Low66.8Low144 Ų144113.1 Ų113.171%0.70957%0.567SS**Hα-helixtrans-65.5-40.3174.8-68.5-79.7-79.600111.6Q93 Q94 T99 H100 H101Q93-M97 PolarHBondContact O-N 3.37Å; Q94-M97 PolarHBondContact O-N 3.11Å; M97-T99 VanDerWaalsContact C-N 3.31Å; M97-T99 PolarHBondContact O-N 3.45Å; M97-H100 PolarHBondContact O-N 3.49Å; M97-H101 PolarHBondContact O-N 2.99Å
98D63.9Low67.2Low97 Ų97107.6 Ų107.652%0.51955%0.55SS..Hα-helixtrans-68.7-26.6178.8-76.3-16.4000113.6Q94 K102Q94-D98 PolarHBondContact O-N 3.45Å; Q94-D98 VanDerWaalsContact O-N 3.13Å; D98-K102 WeakPolarHBondContact O-CD 3.46Å; D98-K102 WeakPolarHBondContact O-CG 3.27Å
99T68.5Low68Low71 Ų71102.4 Ų102.444%0.43654%0.536SS..Hα-helixtrans-74.8-40.4174.342.30000111.6S95 V96 M97 H101 K102 D103S95-T99 PolarHBondContact O-OG1 2.82Å; V96-T99 PolarHBondContact O-N 2.85Å; V96-T99 PolarHBondContact O-OG1 3.24Å; M97-T99 VanDerWaalsContact C-N 3.31Å; M97-T99 PolarHBondContact O-N 3.45Å; T99-H101 PolarHBondContact O-N 2.85Å; T99-K102 PolarHBondContact O-N 2.87Å; T99-D103 PolarHBondContact O-N 3.44Å
100H60.9Low68.6Low133 Ų133104.4 Ų104.462%0.61655%0.548SS*.Hα-helixtrans-69.2-35.3-178.6-125.2-83.1000112.6V96 M97 V104V96-H100 PolarHBondContact O-N 3.06Å; M97-H100 PolarHBondContact O-N 3.49Å; H100-V104 WeakPolarHBondContact O-CG2 3.29Å; H100-V104 PolarHBondContact O-N 3.39Å
101H69.2Low69Low127 Ų127107.5 Ų107.559%0.58856%0.555SS**Hα-helixtrans-67.1-36.2176.4-168.9-69.1000112.5M97 T99 E105M97-H101 PolarHBondContact O-N 2.99Å; T99-H101 PolarHBondContact O-N 2.85Å; H101-E105 IonicContact ND1-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.43Å; H101-E105 VanDerWaalsContact O-N 3.15Å
102K74.1Confident69.2Low126 Ų126106.8 Ų106.855%0.54856%0.555SS.*Hα-helixtrans-70.2-36.1179.9-74.1171.9-175.5162.30112.5D98 T99 E105 Q106D98-K102 WeakPolarHBondContact O-CD 3.46Å; D98-K102 WeakPolarHBondContact O-CG 3.27Å; T99-K102 PolarHBondContact O-N 2.87Å; K102-E105 PolarHBondContact O-N 2.9Å; K102-Q106 WeakPolarHBondContact O-CG 3.27Å; K102-Q106 PolarHBondContact O-N 3.43Å
103D75.9Confident69.3Low98 Ų98106.8 Ų106.852%0.52456%0.557SS.*Hα-helixtrans-71-36.9179.1-67.1-21000111.7T99 A107T99-D103 PolarHBondContact O-N 3.44Å; D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 3.2Å
104V74.3Confident69.4Low95 Ų95108.4 Ų108.458%0.57657%0.571SS**Hα-helixtrans-66.3-41.2174.6175.30000111.3H100 A107 A108H100-V104 WeakPolarHBondContact O-CG2 3.29Å; H100-V104 PolarHBondContact O-N 3.39Å; V104-A107 PolarHBondContact O-N 3.46Å; V104-A108 WeakPolarHBondContact O-CB 3.4Å; V104-A108 PolarHBondContact O-N 2.93Å
105E73.6Confident69.2Low125 Ų125109 Ų10958%0.58458%0.577SS**Hα-helixtrans-68.5-38.4178.2-163.4178.5173.100112.2H101 K102 A108 S109H101-E105 IonicContact ND1-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.43Å; H101-E105 VanDerWaalsContact O-N 3.15Å; K102-E105 PolarHBondContact O-N 2.9Å; E105-A108 PolarHBondContact O-N 3.39Å; E105-S109 VanDerWaalsContact O-CB 3.31Å; E105-S109 WeakPolarHBondContact O-CB 3.35Å; E105-S109 PolarHBondContact O-N 2.9Å
106Q79.3Confident68.9Low131 Ų131116.7 Ų116.761%0.61260%0.595SS**Hα-helixtrans-65.3-40.3173-74.4-173.38.900112.2K102 S109 L110K102-Q106 WeakPolarHBondContact O-CG 3.27Å; K102-Q106 PolarHBondContact O-N 3.43Å; Q106-S109 PolarHBondContact O-N 3.32Å; Q106-L110 PolarHBondContact O-N 3.28Å
107A72.8Confident69Low60 Ų60121.7 Ų121.750%0.49661%0.609SS.*Hα-helixtrans-65.8-41.3176.200000112.2D103 V104 R111D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 3.2Å; V104-A107 PolarHBondContact O-N 3.46Å; A107-R111 PolarHBondContact O-N 2.7Å; A107-R111 VanDerWaalsContact O-N 3.12Å
108A73.8Confident68.6Low53 Ų53118.1 Ų118.144%0.43861%0.609SS.*Hα-helixtrans-64.9-4117500000112.1V104 E105 R111 L112V104-A108 WeakPolarHBondContact O-CB 3.4Å; V104-A108 PolarHBondContact O-N 2.93Å; E105-A108 PolarHBondContact O-N 3.39Å; A108-R111 PolarHBondContact O-N 3Å; A108-L112 PolarHBondContact O-N 3.24Å
109S82.7Confident67.8Low68 Ų68123.1 Ų123.148%0.47663%0.629SS.*Hα-helixtrans-64.9-41.5177.3-169.50000112.6E105 Q106 R111 L112 M113E105-S109 VanDerWaalsContact O-CB 3.31Å; E105-S109 WeakPolarHBondContact O-CB 3.35Å; E105-S109 PolarHBondContact O-N 2.9Å; Q106-S109 PolarHBondContact O-N 3.32Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 2.97Å; S109-L112 PolarHBondContact O-N 2.91Å; S109-M113 PolarHBondContact O-N 3.39Å
110L74.3Confident66.7Low120 Ų120123.3 Ų123.363%0.62865%0.645SS**Hα-helixtrans-63.7-35173.7-91.5160.9000112.7Q106 M113 T114Q106-L110 PolarHBondContact O-N 3.28Å; L110-M113 PolarHBondContact O-N 2.99Å; L110-T114 PolarHBondContact O-N 3.16Å; L110-T114 VanDerWaalsContact O-N 3.14Å; L110-T114 PolarHBondContact O-OG1 3.36Å
111R68.7Low66.1Low187 Ų187125.1 Ų125.171%0.70665%0.654SS**Hα-helixtrans-70.9-36.1177.6-152.7173.1-175.1157.20.1112A107 A108 S109 T114 I115A107-R111 PolarHBondContact O-N 2.7Å; A107-R111 VanDerWaalsContact O-N 3.12Å; A108-R111 PolarHBondContact O-N 3Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 2.97Å; R111-T114 WeakPolarHBondContact CA-OG1 3.47Å; R111-T114 PolarHBondContact O-OG1 2.99Å; R111-I115 WeakPolarHBondContact O-CD1 3.3Å; R111-I115 WeakPolarHBondContact O-CG1 3.35Å; R111-I115 PolarHBondContact O-N 3.39Å
112L70.3Confident65Low128 Ų128124.3 Ų124.367%0.6765%0.653SS**Hα-helixtrans-71.4-35173.8-79.8164.3000112.7A108 S109A108-L112 PolarHBondContact O-N 3.24Å; S109-L112 PolarHBondContact O-N 2.91Å
113M66.5Low63.7Low141 Ų141126.3 Ų126.370%0.69566%0.664SS**Hα-helixtrans-69.1-31.4174.7-87.8-160174.700113.7S109 L110 R116S109-M113 PolarHBondContact O-N 3.39Å; L110-M113 PolarHBondContact O-N 2.99Å; M113-R116 PolarHBondContact O-N 3.27Å
114T61.1Low62.2Low94 Ų94126.4 Ų126.458%0.57767%0.673SS**Hα-helixtrans-74.5-34.1178.631.20000112.7L110 R111 R116 K117L110-T114 PolarHBondContact O-N 3.16Å; L110-T114 VanDerWaalsContact O-N 3.14Å; L110-T114 PolarHBondContact O-OG1 3.36Å; R111-T114 WeakPolarHBondContact CA-OG1 3.47Å; R111-T114 PolarHBondContact O-OG1 2.99Å; T114-R116 PolarHBondContact O-N 3.24Å; T114-K117 PolarHBondContact O-N 2.8Å
115I59.5Low61.2Low132 Ų132127.8 Ų127.868%0.67769%0.687SS**Hα-helixtrans-65.4-27.5174.2-64.7165.9000111.5R111R111-I115 WeakPolarHBondContact O-CD1 3.3Å; R111-I115 WeakPolarHBondContact O-CG1 3.35Å; R111-I115 PolarHBondContact O-N 3.39Å
116R59.5Low60.2Low233 Ų233127.7 Ų127.788%0.87970%0.697SS**THydrogen-bonded Turntrans-85.8-3.1-179.7-143.2177.3-167.1153.23.6114.8M113 T114M113-R116 PolarHBondContact O-N 3.27Å; T114-R116 PolarHBondContact O-N 3.24Å
117K62.8Low58.6Low193 Ų193125.8 Ų125.884%0.83970%0.704SS**SBendtrans-12911.2-171.2-143.8171.3-176.6176.90115.3T114T114-K117 PolarHBondContact O-N 2.8Å
118G48.8Very low57.7Low69 Ų69129 Ų12971%0.71172%0.717SS**  trans-112.553.7-177.400000114.1
119E48.3Very low56.5Low201 Ų201135.7 Ų135.794%0.93974%0.736SS**  trans-91.4121.5160.9-82-175.8131.700109.1
120G44.5Very low55.1Low75 Ų75140.9 Ų140.977%0.77375%0.753SS**  trans121.592.5154.700000115.7
121H47.1Very low53.8Low171 Ų171142.5 Ų142.579%0.79276%0.762SS**  trans-165.3105.5132.1-143.657.9000112.7
122L46.4Very low52.8Low111 Ų111137.9 Ų137.958%0.58176%0.764SS**  trans72.8127.2136.7-65.4-170.5000124
123Q47.6Very low51.9Low167 Ų167141 Ų14178%0.7877%0.772SS**  trans75.2133.6136-70.8170.97.200117.4
124S44.8Very low51.4Low101 Ų101141.7 Ų141.771%0.70678%0.779SS**  cis177.4129.2-9.744.10000105.2
125S52.7Low51.4Low124 Ų124138.4 Ų138.487%0.86776%0.764SS**  trans-174.3141.8144-88.80000112.1
126P53.4Low51.8Low122 Ų122137.6 Ų137.679%0.79277%0.767SS**  trans-101.6154.3-169.938.2-31.2000113.8
127A44.8Very low52.3Low91 Ų91128.8 Ų128.875%0.75274%0.741SS**  trans71.692145.400000118.9
128V55Low52.6Low129 Ų129124 Ų12478%0.78272%0.724SS**  trans-129.2112.7130.9176.40000107Q130V128-Q130 HydrophobicContact CG1-CG 4.18Å; V128-Q130 PolarHBondContact O-N 3.08Å
129K47.3Very low53.8Low192 Ų192125.9 Ų125.984%0.83571%0.714SS**  trans-77.9109.6168.7-65.7177.5179.1-178.50106.6
130Q53.8Low55.2Low178 Ų178121.4 Ų121.483%0.83270%0.697SS**  trans-124.5118.5157.6-82.3-172.5-33.300107.4V128V128-Q130 HydrophobicContact CG1-CG 4.18Å; V128-Q130 PolarHBondContact O-N 3.08Å
131D47Very low56.7Low153 Ų153122.5 Ų122.582%0.81868%0.683SS**  trans-66.6132.3-175.2-63.2-56000110.8
132A47.1Very low58.4Low90 Ų90118.7 Ų118.774%0.74467%0.671SS**  trans50.793.813800000118.7
133F52Low60.3Low194 Ų194119.1 Ų119.185%0.85167%0.668SS**  trans-163.866.3132.9-130.7-93.7000111.1G135F133-G135 VanDerWaalsContact C-N 3.35Å; F133-G135 PolarHBondContact O-N 3.39Å; F133-G135 VanDerWaalsContact O-N 3.1Å
134D55.1Low62Low156 Ų156116.4 Ų116.483%0.83466%0.659SS**  trans-82.582.8172.5-102.4-24.8000109.7
135G62.3Low64Low25 Ų25116.3 Ų116.326%0.25865%0.649SS.*  trans-75.4144.8166.700000110.7F133 S137 L138F133-G135 VanDerWaalsContact C-N 3.35Å; F133-G135 PolarHBondContact O-N 3.39Å; F133-G135 VanDerWaalsContact O-N 3.1Å; G135-S137 PolarHBondContact O-N 3.36Å; G135-L138 PolarHBondContact O-N 3.08Å
136P68.4Low65.5Low115 Ų115113 Ų11375%0.74763%0.63SS**Hα-helixtrans-55.9-19.9179.918.3-29.4000114.3L140P136-L140 PolarHBondContact O-N 3.1Å
137S68.2Low67.1Low48 Ų48112.6 Ų112.634%0.33662%0.62SS.*Hα-helixtrans-68-40.4175.6-177.80000113.7G135 H139 L140 M141G135-S137 PolarHBondContact O-N 3.36Å; S137-H139 VanDerWaalsContact C-N 3.32Å; S137-H139 PolarHBondContact O-N 3.12Å; S137-L140 PolarHBondContact O-N 3.42Å; S137-M141 PolarHBondContact O-N 3.1Å
138L70.9Confident69.1Low92 Ų92115.3 Ų115.348%0.48262%0.615SS.*Hα-helixtrans-69.1-32.3178.4-74.9-173.8000112.3G135 L140 M141 T142G135-L138 PolarHBondContact O-N 3.08Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-M141 HydrophobicContact CD2-CE 4.08Å; L138-M141 PolarHBondContact O-N 3.38Å; L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-OG1 3.33Å
139H73.4Confident70.3Confident108 Ų108115.4 Ų115.450%0.561%0.607SS.*Hα-helixtrans-67.8-35.9176.7-170.270.9000112.1S137 K143S137-H139 VanDerWaalsContact C-N 3.32Å; S137-H139 PolarHBondContact O-N 3.12Å; H139-K143 PolarHBondContact CD2-NZ 3.43Å; H139-K143 WeakPolarHBondContact NE2-CE 3.5Å; H139-K143 PolarHBondContact NE2-NZ 2.96Å; H139-K143 WeakPolarHBondContact O-CB 3.35Å; H139-K143 WeakPolarHBondContact O-CG 3.48Å; H139-K143 PolarHBondContact O-N 2.99Å; H139-K143 VanDerWaalsContact O-N 3.08Å
140L77.5Confident72Confident108 Ų108112.4 Ų112.457%0.56560%0.596SS**Hα-helixtrans-69.1-44.3173.3-75.3173.8000111.8P136 S137 L138 T142 K143 L144P136-L140 PolarHBondContact O-N 3.1Å; S137-L140 PolarHBondContact O-N 3.42Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L140-T142 VanDerWaalsContact C-N 3.34Å; L140-T142 PolarHBondContact O-N 3.28Å; L140-K143 WeakPolarHBondContact O-CB 3.46Å; L140-K143 PolarHBondContact O-N 3.19Å; L140-L144 PolarHBondContact O-N 3.42Å
141M76.1Confident73.4Confident98 Ų98111.1 Ų111.148%0.48359%0.587SS.*Hα-helixtrans-60.8-42.2174.9-80.1-160.7-103.100112.2S137 L138 K143 L144 I145S137-M141 PolarHBondContact O-N 3.1Å; L138-M141 HydrophobicContact CD2-CE 4.08Å; L138-M141 PolarHBondContact O-N 3.38Å; M141-K143 VanDerWaalsContact C-N 3.31Å; M141-K143 PolarHBondContact O-N 2.92Å; M141-L144 PolarHBondContact O-N 2.85Å; M141-I145 VanDerWaalsContact O-CG1 3.3Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 3.25Å
142T82.6Confident74.8Confident90 Ų90109.3 Ų109.355%0.55258%0.577SS**Hα-helixtrans-63-38.9176.7-52.90000111.5L138 L140 A146L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-OG1 3.33Å; L140-T142 VanDerWaalsContact C-N 3.34Å; L140-T142 PolarHBondContact O-N 3.28Å; T142-A146 PolarHBondContact O-N 2.88Å; T142-A146 VanDerWaalsContact O-N 3.08Å
143K85.9Confident76.1Confident120 Ų120110.6 Ų110.652%0.52257%0.568SS.*Hα-helixtrans-66-40.2174.1-80.6174166.1167.10112.8H139 L140 M141 A146 L147H139-K143 PolarHBondContact CD2-NZ 3.43Å; H139-K143 WeakPolarHBondContact NE2-CE 3.5Å; H139-K143 PolarHBondContact NE2-NZ 2.96Å; H139-K143 WeakPolarHBondContact O-CB 3.35Å; H139-K143 WeakPolarHBondContact O-CG 3.48Å; H139-K143 PolarHBondContact O-N 2.99Å; H139-K143 VanDerWaalsContact O-N 3.08Å; L140-K143 WeakPolarHBondContact O-CB 3.46Å; L140-K143 PolarHBondContact O-N 3.19Å; M141-K143 VanDerWaalsContact C-N 3.31Å; M141-K143 PolarHBondContact O-N 2.92Å; K143-A146 PolarHBondContact O-N 3.47Å; K143-L147 WeakPolarHBondContact O-CB 3.26Å; K143-L147 PolarHBondContact O-N 3.07Å
144L84.5Confident77.3Confident111 Ų111105.5 Ų105.558%0.58155%0.552SS**Hα-helixtrans-63.7-42.7176-88.8160.2000111.9L140 M141 L147 K148L140-L144 PolarHBondContact O-N 3.42Å; M141-L144 PolarHBondContact O-N 2.85Å; L144-L147 PolarHBondContact O-N 3.35Å; L144-K148 WeakPolarHBondContact O-CB 3.48Å; L144-K148 PolarHBondContact O-N 2.93Å
145I85.5Confident78.1Confident98 Ų98100.8 Ų100.850%0.50354%0.535SS..Hα-helixtrans-61.2-48.1175.9-66.5164.1000110.2M141 L147 K148 E149M141-I145 VanDerWaalsContact O-CG1 3.3Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 3.25Å; I145-L147 VanDerWaalsContact C-N 3.32Å; I145-L147 PolarHBondContact O-N 3Å; I145-K148 PolarHBondContact O-N 3.24Å; I145-E149 WeakPolarHBondContact O-CG 3.27Å; I145-E149 PolarHBondContact O-N 2.99Å
146A85.1Confident78.6Confident55 Ų55102.2 Ų102.246%0.45555%0.545SS..Hα-helixtrans-61.4-38.3178.500000112.9T142 K143 Q150T142-A146 PolarHBondContact O-N 2.88Å; T142-A146 VanDerWaalsContact O-N 3.08Å; K143-A146 PolarHBondContact O-N 3.47Å; A146-Q150 PolarHBondContact O-N 3.39Å
147L85.9Confident78.8Confident114 Ų114102.2 Ų102.260%0.59754%0.535SS*.Hα-helixtrans-69.7-37.6178.2-155.5156.3000111.3K143 L144 I145 Q150 K151K143-L147 WeakPolarHBondContact O-CB 3.26Å; K143-L147 PolarHBondContact O-N 3.07Å; L144-L147 PolarHBondContact O-N 3.35Å; I145-L147 VanDerWaalsContact C-N 3.32Å; I145-L147 PolarHBondContact O-N 3Å; L147-Q150 PolarHBondContact O-N 2.91Å; L147-K151 PolarHBondContact O-N 2.79Å
148K86.8Confident78.8Confident148 Ų148102.7 Ų102.764%0.64354%0.541SS*.Hα-helixtrans-64.8-43.7174.4-173.1172-178.7171.10112.1L144 I145 Q150 K151 L152L144-K148 WeakPolarHBondContact O-CB 3.48Å; L144-K148 PolarHBondContact O-N 2.93Å; I145-K148 PolarHBondContact O-N 3.24Å; K148-Q150 VanDerWaalsContact C-N 3.33Å; K148-Q150 PolarHBondContact O-N 2.99Å; K148-K151 PolarHBondContact O-N 3.05Å; K148-L152 PolarHBondContact O-N 3.44Å; K148-L152 VanDerWaalsContact O-N 3.07Å
149E81.5Confident78.3Confident130 Ų130101.7 Ų101.761%0.60754%0.542SS*.Hα-helixtrans-62.6-39.8175.7-72.5-179.7169.700111.8I145 L152 H153I145-E149 WeakPolarHBondContact O-CG 3.27Å; I145-E149 PolarHBondContact O-N 2.99Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-H153 PolarHBondContact O-N 3.02Å; E149-H153 VanDerWaalsContact O-N 3.07Å
150Q82.5Confident77.6Confident130 Ų13099.8 Ų99.861%0.60754%0.541SS*.Hα-helixtrans-63.6-42175.6-168.6-179.66.400112.1A146 L147 K148 H153 V154A146-Q150 PolarHBondContact O-N 3.39Å; L147-Q150 PolarHBondContact O-N 2.91Å; K148-Q150 VanDerWaalsContact C-N 3.33Å; K148-Q150 PolarHBondContact O-N 2.99Å; Q150-H153 PolarHBondContact O-N 2.89Å; Q150-V154 WeakPolarHBondContact O-CG2 3.42Å; Q150-V154 PolarHBondContact O-N 3.38Å; Q150-V154 VanDerWaalsContact O-N 3.16Å
151K83.9Confident76.5Confident150 Ų15098.3 Ų98.365%0.65254%0.54SS*.Hα-helixtrans-66.1-40.5178.8-165.2176-179.2-174.90111.8L147 K148 V154 A155L147-K151 PolarHBondContact O-N 2.79Å; K148-K151 PolarHBondContact O-N 3.05Å; K151-V154 PolarHBondContact O-N 3.46Å; K151-A155 PolarHBondContact O-N 3.5Å
152L76.4Confident75.2Confident115 Ų11596.6 Ų96.660%0.60254%0.537SS*.Hα-helixtrans-64-39.4175.3-73.3173.9000112.5K148 E149 V154 A155 A156K148-L152 PolarHBondContact O-N 3.44Å; K148-L152 VanDerWaalsContact O-N 3.07Å; E149-L152 PolarHBondContact O-N 3.5Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-V154 PolarHBondContact O-N 2.94Å; L152-A155 PolarHBondContact O-N 3.41Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 2.94Å
153H74.1Confident73.7Confident118 Ų11897.5 Ų97.555%0.54654%0.542SS..Hα-helixtrans-67.8-34.2178.2-165-77.2000112.6E149 Q150 Q157E149-H153 PolarHBondContact O-N 3.02Å; E149-H153 VanDerWaalsContact O-N 3.07Å; Q150-H153 PolarHBondContact O-N 2.89Å; H153-Q157 PolarHBondContact O-N 3Å; H153-Q157 VanDerWaalsContact O-N 3.11Å
154V75.7Confident71.7Confident86 Ų8699.3 Ų99.352%0.52155%0.552SS.*Hα-helixtrans-69.9-43174.4174.10000111.1Q150 K151 L152 A156 Q157 A158Q150-V154 WeakPolarHBondContact O-CG2 3.42Å; Q150-V154 PolarHBondContact O-N 3.38Å; Q150-V154 VanDerWaalsContact O-N 3.16Å; K151-V154 PolarHBondContact O-N 3.46Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-V154 PolarHBondContact O-N 2.94Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 2.79Å; V154-Q157 PolarHBondContact O-N 2.94Å; V154-A158 PolarHBondContact O-N 3.2Å
155A73.4Confident69.8Low57 Ų57102.4 Ų102.447%0.47156%0.561SS.*Hα-helixtrans-62.3-40.7175.400000112K151 L152 A158 S159K151-A155 PolarHBondContact O-N 3.5Å; L152-A155 PolarHBondContact O-N 3.41Å; A155-A158 PolarHBondContact O-N 3.24Å; A155-S159 PolarHBondContact O-N 3.06Å; A155-S159 PolarHBondContact O-OG 3.43Å
156A71.9Confident67.8Low56 Ų56108 Ų10846%0.46358%0.576SS.*Hα-helixtrans-63.2-42.1175.200000112.4L152 V154 S159 S160L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 2.94Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 2.79Å; A156-S159 PolarHBondContact O-N 2.75Å; A156-S159 PolarHBondContact O-OG 2.9Å; A156-S160 PolarHBondContact O-N 3.39Å
157Q72.8Confident65.8Low115 Ų115114.7 Ų114.754%0.53760%0.595SS.*Hα-helixtrans-67.1-35174.2-81.9-172.2-18.100113.5H153 V154 S161H153-Q157 PolarHBondContact O-N 3Å; H153-Q157 VanDerWaalsContact O-N 3.11Å; V154-Q157 PolarHBondContact O-N 2.94Å; Q157-S161 PolarHBondContact O-N 3.37Å; Q157-S161 PolarHBondContact O-OG 3.06Å
158A68.3Low63.8Low58 Ų58113.3 Ų113.348%0.47960%0.6SS.*Hα-helixtrans-66-41.4174.400000111.4V154 A155 S161 S162V154-A158 PolarHBondContact O-N 3.2Å; A155-A158 PolarHBondContact O-N 3.24Å; A158-S161 PolarHBondContact O-OG 3.42Å; A158-S162 PolarHBondContact O-N 3.1Å
159S60.8Low61.9Low71 Ų71115.3 Ų115.350%0.49761%0.612SS.*Hα-helixtrans-67.7-36.7176.371.30000113.3A155 A156 V163A155-S159 PolarHBondContact O-N 3.06Å; A155-S159 PolarHBondContact O-OG 3.43Å; A156-S159 PolarHBondContact O-N 2.75Å; A156-S159 PolarHBondContact O-OG 2.9Å; S159-V163 WeakPolarHBondContact O-CG2 3.31Å; S159-V163 PolarHBondContact O-N 3.43Å
160S57.8Low60.4Low68 Ų68118.1 Ų118.148%0.47663%0.625SS.*Hα-helixtrans-73.2-34.3179.997.20000112.8A156 E164A156-S160 PolarHBondContact O-N 3.39Å; S160-E164 PolarHBondContact O-N 3.42Å
161S54.4Low58.6Low77 Ų77121.4 Ų121.454%0.53864%0.64SS.*Hα-helixtrans-75.4-22.2177.857.60000113.8Q157 A158Q157-S161 PolarHBondContact O-N 3.37Å; Q157-S161 PolarHBondContact O-OG 3.06Å; A158-S161 PolarHBondContact O-OG 3.42Å
162S49.2Very low56.8Low61 Ų61121.9 Ų121.943%0.42765%0.65SS.*Hα-helixtrans-80.5-31.5174.1-162.80000112.9A158A158-S162 PolarHBondContact O-N 3.1Å
163V51.3Low55.4Low109 Ų109124.2 Ų124.266%0.66166%0.663SS**Hα-helixtrans-75.5-29.5177.6174.30000112.4S159 K165S159-V163 WeakPolarHBondContact O-CG2 3.31Å; S159-V163 PolarHBondContact O-N 3.43Å; V163-K165 VanDerWaalsContact C-N 3.32Å; V163-K165 PolarHBondContact O-N 3.39Å
164E43.4Very low54Low158 Ų158123.7 Ų123.774%0.73867%0.673SS**THydrogen-bonded Turntrans-79.6-13.2-179-147.7161.9163.800113.6S160S160-E164 PolarHBondContact O-N 3.42Å
165K44.1Very low52.8Low176 Ų176127.5 Ų127.577%0.76569%0.689SS**THydrogen-bonded Turntrans-91.2-5175.8-148.4174.6-177.4-176.30114V163V163-K165 VanDerWaalsContact C-N 3.32Å; V163-K165 PolarHBondContact O-N 3.39Å
166R44.3Very low51.5Low216 Ų216133 Ų13382%0.81571%0.705SS**SBendtrans-1056.9177.5-65.1-175.2-176.6161.71.1114.1
167K42.2Very low50.3Low195 Ų195133.9 Ų133.985%0.84871%0.712SS**SBendtrans-114.815.8-179-153.8177.7177.9-1790114
168A43.8Very low49.4Very low85 Ų85137.7 Ų137.770%0.70273%0.727SS**SBendtrans-121.810.9-17300000114.7
169E47.9Very low48.2Very low190 Ų190144.9 Ų144.989%0.88875%0.748SS**SBendtrans-12822.3-175.4-63.9-170.9165.600114.1
170E50.2Low47.4Very low190 Ų190145.8 Ų145.889%0.88876%0.759SS**  trans-136.253.2-175.5-140.4178.2-14900112.1
171E45.6Very low46.8Very low198 Ų198151.8 Ų151.893%0.92578%0.777SS**  trans-147.367.1170.4-78.3-162.5157.800111.3
172D44.3Very low46.4Very low161 Ų161155.7 Ų155.786%0.86179%0.791SS**  trans-166.175.9157.5-155.819.4000111.4
173D47.5Very low46.6Very low163 Ų163157.5 Ų157.587%0.87280%0.804SS**  trans-176.9155.2138.7-133.9-38.4000111.9
174S45.5Very low46.5Very low108 Ų108161.3 Ų161.376%0.75581%0.814SS**  trans84.272.9165.2-162.60000118.3
175L49.6Very low46.8Very low166 Ų166161.5 Ų161.587%0.86982%0.82SS**  trans-68.6124.2146-52.8171000110
176E46.7Very low47.1Very low173 Ų173161.8 Ų161.881%0.80882%0.824SS**  169.4129.7124.6-95.5-86.5130.500111.9
177A47.3Very low47.6Very low74 Ų74156.6 Ų156.661%0.61282%0.821SS**  trans-49143.8174.400000115.2
178K52.5Low47.8Very low195 Ų195154.9 Ų154.985%0.84882%0.821SS**  -177.7108.1106.2-93.3155.8-171.3166.70113.8
179K43.3Very low48.1Very low209 Ų209157.1 Ų157.191%0.90983%0.826SS**  trans-34.5125.9153.3-177.8-179.7-172.9174.30116.2
180A43.9Very low48Very low90 Ų90153.6 Ų153.674%0.74482%0.822SS**  trans165.3104.9130.600000108.8
181K45Very low48.1Very low193 Ų193149.2 Ų149.284%0.83981%0.812SS**  70.3107.283.4-170.3171-173.9172.10113.7
182L46.5Very low48Very low160 Ų160146.9 Ų146.984%0.83881%0.806SS**  trans156106.4152.1-89.8149.9000106.4
183S54.7Low48.2Very low99 Ų99147.2 Ų147.269%0.69281%0.806SS**  114.5132.963.956.50000108
184E47.8Very low48.3Very low188 Ų188144.2 Ų144.288%0.87980%0.798SS**  trans-44.5137.9177.2-61.9135.1132.900113.5
185D49.6Very low48.3Very low163 Ų163145.3 Ų145.387%0.87280%0.8SS**  trans-158.9132.2134.5-137.9-19.1000111.3
186E51.5Low48.3Very low182 Ų182145 Ų14585%0.8580%0.8SS**  trans-88.4133.8179.4-61.7-119111.500108.7
187S55Low48.7Very low106 Ų106145 Ų14574%0.74180%0.8SS**  trans-150112.4155.345.10000111.4
188D45.6Very low48.8Very low160 Ų160145 Ų14586%0.85681%0.806SS**  trans-30.3126148.4-108-47.3000112.7
189V50.2Low48.9Very low131 Ų131145.3 Ų145.379%0.79481%0.81SS**  trans-138.784.7156.9-114.60000108.4
190S45.1Very low49.6Very low117 Ų117142.7 Ų142.782%0.81880%0.799SS**  trans-76.6116.9153.5-161.10000107.8
191S52Low50.9Low97 Ų97144.9 Ų144.968%0.67880%0.798SS**  trans-140.389.2166.9540000109.1
192D44.8Very low52.4Low149 Ų149140 Ų14080%0.79779%0.785SS**  3493.6120.2-139.1-10.5000115.2
193I48.9Very low53.6Low168 Ų168139.6 Ų139.686%0.86278%0.779SS**  trans-104.3108.8160.8-150.1155.4000107.9
194S48.2Very low54.6Low100 Ų100140.5 Ų140.570%0.69978%0.776SS**  trans-68.1132.9179.9-27.20000109.5D196S194-D196 PolarHBondContact O-N 2.98Å
195V47.1Very low56Low131 Ų131138.4 Ų138.479%0.79477%0.765SS**  trans-55.8117164.2175.90000108.6
196D49.1Very low57.2Low161 Ų161139.3 Ų139.386%0.86176%0.761SS**  trans-111.4126.6158.2-160.948.8000107.6S194S194-D196 PolarHBondContact O-N 2.98Å
197E54.2Low58.2Low173 Ų173137 Ų13781%0.80875%0.754SS**  trans-77.4147.3-174.7-55.7-151.6145.700111
198G49.8Very low58.3Low72 Ų72140.1 Ų140.174%0.74276%0.757SS**  trans158.4-25153.200000118.9K200G198-K200 PolarHBondContact O-N 3.03Å
199E55.3Low58.7Low202 Ų202136.7 Ų136.794%0.94475%0.746SS**  trans-10971.9-174.3-59.2-151161.200111.6L201E199-L201 PolarHBondContact O-N 3.29Å
200K57.3Low58.8Low155 Ų155139.4 Ų139.467%0.67475%0.752SS**  trans-72.7114.5169.4-151.5157.4176.9-83.60107.3G198 E203G198-K200 PolarHBondContact O-N 3.03Å; K200-E203 IonicContact NZ-OE1 3.93Å; K200-E203 PolarHBondContact NZ-OE1 3.07Å; K200-E203 IonicContact NZ-OE2 2.78Å; K200-E203 PolarHBondContact NZ-OE2 3.03Å
201L70.6Confident59.2Low136 Ų136142.1 Ų142.171%0.71275%0.752SS**  trans-46.9139.5170.6-84.3150.9000109.6E199 E203E199-L201 PolarHBondContact O-N 3.29Å; L201-E203 PolarHBondContact O-N 3.16Å; L201-E203 VanDerWaalsContact O-N 3.16Å
202P76.6Confident58.9Low89 Ų89144.5 Ų144.558%0.57876%0.763SS**  trans-53.6125.4177.4-19.929.9000109.4D204 F205P202-D204 PolarHBondContact O-N 3.33Å; P202-F205 PolarHBondContact O-N 3.41Å; P202-F205 VanDerWaalsContact O-N 3.1Å
203E71.2Confident58.9Low153 Ų153142.3 Ų142.372%0.71576%0.759SS**THydrogen-bonded Turntrans-58.6-6.5178.6-121.797.7-16700112.8K200 L201K200-E203 IonicContact NZ-OE1 3.93Å; K200-E203 PolarHBondContact NZ-OE1 3.07Å; K200-E203 IonicContact NZ-OE2 2.78Å; K200-E203 PolarHBondContact NZ-OE2 3.03Å; L201-E203 PolarHBondContact O-N 3.16Å; L201-E203 VanDerWaalsContact O-N 3.16Å
204D77.6Confident58.7Low117 Ų117139.3 Ų139.363%0.62675%0.749SS**THydrogen-bonded Turntrans-1108.1-176.4-154.513.3000113.5P202 F206P202-D204 PolarHBondContact O-N 3.33Å; D204-F206 VanDerWaalsContact C-N 3.26Å; D204-F206 PolarHBondContact O-N 3.06Å
205F75.9Confident58.6Low145 Ų145139.2 Ų139.264%0.63675%0.754SS**SBendtrans-70.9-20.6-179.4-167.4-94.1000113.4P202P202-F205 PolarHBondContact O-N 3.41Å; P202-F205 VanDerWaalsContact O-N 3.1Å
206F75.6Confident58.7Low182 Ų182142.2 Ų142.280%0.79876%0.759SS**SBendtrans-117.7-2.2-175.5-75.5-81.6000115.1D204D204-F206 VanDerWaalsContact C-N 3.26Å; D204-F206 PolarHBondContact O-N 3.06Å
207D72.4Confident58.5Low133 Ų133142.4 Ų142.471%0.71176%0.755SS**  trans-98.7-5.5-173.4-79.7-12.5000114.1S209D207-S209 PolarHBondContact O-N 3.32Å
208E57.2Low58.2Low171 Ų171139.3 Ų139.380%0.79975%0.747SS**SBendtrans-80.583.5178.2-148.2177.4-164.300112M210E208-M210 PolarHBondContact O-N 3.22Å
209S52.9Low58.2Low89 Ų89142.4 Ų142.462%0.62275%0.752SS**  trans45.968.9149.565.60000117.1D207 E211D207-S209 PolarHBondContact O-N 3.32Å; S209-E211 PolarHBondContact O-N 3.5Å
210M52.5Low57.8Low188 Ų188138 Ų13893%0.92674%0.743SS**  trans-82.284.5143.2-71.4-144.7-176.100107.7E208 T212E208-M210 PolarHBondContact O-N 3.22Å; M210-T212 PolarHBondContact O-N 3.22Å; M210-T212 VanDerWaalsContact O-N 3.08Å
211E53.1Low57.1Low173 Ų173137.9 Ų137.981%0.80875%0.75SS**  trans-49.7120.4161.1-75.4-158.4150.100108.4S209 S213S209-E211 PolarHBondContact O-N 3.5Å; E211-S213 PolarHBondContact O-N 3.31Å
212T47.2Very low56Low148 Ų148137.3 Ų137.391%0.90875%0.752SS**SBendtrans-61.278.3174.937.80000110.1M210M210-T212 PolarHBondContact O-N 3.22Å; M210-T212 VanDerWaalsContact O-N 3.08Å
213S45.1Very low54.1Low102 Ų102138.7 Ų138.771%0.71376%0.764SS**  trans-153.9117165.9-148.10000107.9E211E211-S213 PolarHBondContact O-N 3.31Å
214T43.5Very low52.9Low106 Ų106136.9 Ų136.965%0.6576%0.763SS**  trans9449.9-179.9-31.50000116.3Q217T214-Q217 HydrophobicContact CG2-CB 4.4Å
215A46.9Very low51Low97 Ų97136.1 Ų136.180%0.80277%0.767SS**SBendtrans-109.211.6164.800000113.7
216Q49.3Very low49.6Very low194 Ų194135.9 Ų135.991%0.90778%0.777SS**SBendtrans-125.316.4179.3-72.4-174.4-24.100114.1
217Q44.8Very low48.1Very low165 Ų165132.1 Ų132.177%0.77176%0.762SS**SBendtrans-133.427.6-176.3-151.9-173.6-43.700114.6T214T214-Q217 HydrophobicContact CG2-CB 4.4Å
218V47.7Very low46.4Very low108 Ų108130.8 Ų130.866%0.65576%0.755SS**SBendtrans-132.28177.4-67.10000115.2
219V50.3Low45.5Very low138 Ų138127.7 Ų127.784%0.83675%0.752SS**SBendtrans-94.716.4173.3-65.20000113.8
220S46.4Very low45.3Very low109 Ų109131.4 Ų131.476%0.76276%0.763SS**SBendtrans-127.112-176.3-500000114.6
221D41.4Very low45Very low153 Ų153127.4 Ų127.482%0.81875%0.751SS**  trans-13727.8-174.6-126.4-14000114.1
222V48.1Very low44.1Very low123 Ų123128.4 Ų128.475%0.74576%0.756SS**  trans-109.953.3163.3-174.50000108.8V224V222-V224 HydrophobicContact CG1-CG2 3.73Å; V222-V224 PolarHBondContact O-N 3.01Å
223S37.3Very low43.8Very low118 Ų118129.3 Ų129.383%0.82575%0.75SS**  trans-81.174.5151.3-83.70000107.9S225S223-S225 PolarHBondContact O-N 3.41Å
224V46.8Very low43.2Very low116 Ų116128.9 Ų128.970%0.70375%0.752SS**  trans-72.991.6157.9-96.80000107V222 V226V222-V224 HydrophobicContact CG1-CG2 3.73Å; V222-V224 PolarHBondContact O-N 3.01Å; V224-V226 PolarHBondContact O-N 3.5Å
225S36Very low42.7Very low101 Ų101126.4 Ų126.471%0.70675%0.748SS**  trans-48.582.2158169.30000110.2S223 E227S223-S225 PolarHBondContact O-N 3.41Å; S225-E227 PolarHBondContact O-N 3.01Å
226V47.6Very low42.5Very low140 Ų140130.9 Ų130.985%0.84875%0.749SS**  trans-91.361.7156.3-176.10000106.7V224V224-V226 PolarHBondContact O-N 3.5Å
227E43.1Very low42Very low102 Ų102127.9 Ų127.948%0.47775%0.747SS.*  trans-91.4140.4158.9-156.9177.6149.500106.9Q93 S225Q93-E227 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E227 PolarHBondContact NE2-OE1 3.48Å; Q93-E227 PolarHBondContact NE2-OE2 3.36Å; Q93-E227 PolarHBondContact OE1-OE2 3.01Å; S225-E227 PolarHBondContact O-N 3.01Å
228N36.9Very low41.8Very low105 Ų105125.4 Ų125.456%0.56175%0.748SS**  trans9076.8150.1-152.692.8000117.4
229S39.1Very low41.5Very low107 Ų107128.3 Ų128.375%0.74875%0.754SS**  175.176122.8530000112.7P231S229-P231 WeakPolarHBondContact O-CD 3.4Å
230I48.6Very low41.3Very low166 Ų166132.1 Ų132.185%0.85176%0.759SS**  trans-95.6101.4149.7-59.5172.8000104.8E232I230-E232 PolarHBondContact O-N 3.24Å; I230-E232 VanDerWaalsContact O-N 3.08Å
231P47.1Very low41.1Very low105 Ų105133.8 Ų133.868%0.68276%0.759SS**  trans-67.9109.4168.627.8-28.7000107S229 H233S229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-H233 PolarHBondContact O-N 3.02Å
232E33.6Very low41.6Very low194 Ų194133.9 Ų133.991%0.90775%0.754SS**  trans-53.789.3150.1-74-171.4146.500107.8I230I230-E232 PolarHBondContact O-N 3.24Å; I230-E232 VanDerWaalsContact O-N 3.08Å
233H40.3Very low41.7Very low167 Ų167135.2 Ų135.277%0.77376%0.763SS**  trans-102.981.1161.9-145.6-50.1000108.4P231 G235P231-H233 PolarHBondContact O-N 3.02Å; H233-G235 PolarHBondContact O-N 3.44Å; H233-G235 VanDerWaalsContact O-N 3.13Å
234A33.5Very low43Very low93 Ų93133 Ų13377%0.76976%0.758SS**  trans-40.1115.9148.200000109.1
235G32Very low43.9Very low54 Ų54130.8 Ų130.856%0.55774%0.742SS**  trans-154.727.6-16000000117.3H233H233-G235 PolarHBondContact O-N 3.44Å; H233-G235 VanDerWaalsContact O-N 3.13Å
236K42Very low45.5Very low190 Ų190130 Ų13083%0.82673%0.734SS**  trans63.8138.9155.6-57.8165.3-177.7176.20116.4S238K236-S238 PolarHBondContact O-N 2.98Å
237P39.5Very low46.5Very low132 Ų132130.9 Ų130.986%0.85773%0.729SS**  trans-69.793.6171.330.5-32000108.7E239P237-E239 VanDerWaalsContact C-N 3.34Å; P237-E239 PolarHBondContact O-N 2.89Å; P237-E239 VanDerWaalsContact O-N 3.08Å
238S41.2Very low47.7Very low113 Ų113128.8 Ų128.879%0.7974%0.735SS**  trans-79.192.6169.362.10000108.5K236 K240K236-S238 PolarHBondContact O-N 2.98Å; S238-K240 PolarHBondContact O-N 3.46Å
239E41.8Very low49.3Very low168 Ų168129.6 Ų129.679%0.78573%0.733SS**  trans6.8108.8149.4-66-179.4158.700116.1P237 L241P237-E239 VanDerWaalsContact C-N 3.34Å; P237-E239 PolarHBondContact O-N 2.89Å; P237-E239 VanDerWaalsContact O-N 3.08Å; E239-L241 PolarHBondContact O-N 3.26Å
240K44.7Very low50.6Low218 Ų218126.9 Ų126.995%0.94871%0.708SS**  trans-24.295.6147.9-62.6172.8-179.6-171.80111.9S238S238-K240 PolarHBondContact O-N 3.46Å
241L41.7Very low51.9Low145 Ų145126.7 Ų126.776%0.75971%0.709SS**  trans-131.8138.5163.9-88.2163.9000107.6E239E239-L241 PolarHBondContact O-N 3.26Å
242E51.9Low53.3Low154 Ų154126.2 Ų126.272%0.7270%0.701SS**  trans93.951.3171.2-54.5-176.1177.300117.1G244E242-G244 PolarHBondContact O-N 3.3Å; E242-G244 VanDerWaalsContact O-N 3.14Å
243T51.9Low55.1Low152 Ų152121.6 Ų121.693%0.93369%0.688SS**THydrogen-bonded Turntrans-41.5105.213248.80000111.3
244G64.4Low56.4Low70 Ų70118.2 Ų118.272%0.72268%0.679SS**THydrogen-bonded Turntrans163.4-15.5165.400000120.3E242E242-G244 PolarHBondContact O-N 3.3Å; E242-G244 VanDerWaalsContact O-N 3.14Å
245I64.3Low58Low70 Ų70118.2 Ų118.236%0.35966%0.663SS.*  trans-107.5118.4-174.3-57.3-178.1000110.4F249 F250I245-F249 HydrophobicContact CG2-CB 3.33Å; I245-F249 HydrophobicContact CG2-CD1 3.43Å; I245-F249 VanDerWaalsContact CG2-CD1 3.43Å; I245-F249 HydrophobicContact CG2-CD2 4.45Å; I245-F249 HydrophobicContact CG2-CE1 4.34Å; I245-F249 HydrophobicContact CG2-CG 3.49Å; I245-F249 VanDerWaalsContact CG2-CG 3.49Å; I245-F250 HydrophobicContact CD1-CE2 4.26Å; I245-F250 HydrophobicContact CG2-CE2 4.18Å
246P70.9Confident60Low85 Ų85116.1 Ų116.155%0.55264%0.639SS**  trans-61.6155.2177-20.231.2000112.7G248 F249P246-G248 PolarHBondContact O-N 3.42Å; P246-F249 VanDerWaalsContact O-CB 3.28Å; P246-F249 WeakPolarHBondContact O-CB 3.38Å; P246-F249 PolarHBondContact O-N 3.35Å
247E67.3Low61.3Low159 Ų159107.9 Ų107.974%0.74361%0.606SS**THydrogen-bonded Turntrans-61.7135.3170.6-46.3-159.1121.400110.7R260E247-R260 VanDerWaalsContact CA-NH2 3.34Å; E247-R260 IonicContact OE1-CZ 3.53Å; E247-R260 IonicContact OE1-NH1 3.7Å; E247-R260 PolarHBondContact OE1-NH1 3.44Å; E247-R260 IonicContact OE1-NH2 3.76Å
248G69.7Low62.7Low57 Ų57109.7 Ų109.759%0.58860%0.6SS**THydrogen-bonded Turntrans75.724.6-177.200000113.8P246 D256P246-G248 PolarHBondContact O-N 3.42Å; G248-D256 PolarHBondContact N-OD2 2.95Å
249F69.5Low64Low122 Ų122108.9 Ų108.954%0.53558%0.582SS.*  trans-76.6-29.6174.3-178.3-103.2000112.3I245 P246 D256I245-F249 HydrophobicContact CG2-CB 3.33Å; I245-F249 HydrophobicContact CG2-CD1 3.43Å; I245-F249 VanDerWaalsContact CG2-CD1 3.43Å; I245-F249 HydrophobicContact CG2-CD2 4.45Å; I245-F249 HydrophobicContact CG2-CE1 4.34Å; I245-F249 HydrophobicContact CG2-CG 3.49Å; I245-F249 VanDerWaalsContact CG2-CG 3.49Å; P246-F249 VanDerWaalsContact O-CB 3.28Å; P246-F249 WeakPolarHBondContact O-CB 3.38Å; P246-F249 PolarHBondContact O-N 3.35Å; F249-D256 PolarHBondContact N-OD1 2.96Å
250F66.8Low65.1Low50 Ų50106.6 Ų106.622%0.21957%0.567CS.*SBendtrans-96.9124.4167.5-62.9-74.9000108.8I245 D252 E255 D256 K259I245-F250 HydrophobicContact CD1-CE2 4.26Å; I245-F250 HydrophobicContact CG2-CE2 4.18Å; F250-D252 PolarHBondContact O-N 2.89Å; F250-E255 HydrophobicContact CB-CB 4.05Å; F250-E255 HydrophobicContact CG-CB 4.43Å; F250-D256 HydrophobicContact CB-CB 4.19Å; F250-D256 WeakPolarHBondContact CD2-OD1 3.31Å; F250-D256 PolarHBondContact N-OD1 3.22Å; F250-K259 HydrophobicContact CD1-CD 4.18Å; F250-K259 HydrophobicContact CD2-CD 3.54Å; F250-K259 HydrophobicContact CE1-CD 3.81Å; F250-K259 HydrophobicContact CE2-CB 4.2Å; F250-K259 HydrophobicContact CE2-CD 3.08Å; F250-K259 HydrophobicContact CE2-CG 4.25Å; F250-K259 HydrophobicContact CG-CD 4.06Å; F250-K259 HydrophobicContact CZ-CD 3.24Å
251D75.8Confident65.8Low162 Ų16299.6 Ų99.687%0.86656%0.556SS**SBendtrans-56.1-15178.9-72.6-33.5000112.7
252D75.9Confident66.6Low95 Ų9595.3 Ų95.351%0.50854%0.542SS..SBendtrans-105.9116.3173.8-66.9-36.8000111.4F250 V254 E255 D256F250-D252 PolarHBondContact O-N 2.89Å; D252-V254 PolarHBondContact O-N 3.08Å; D252-V254 VanDerWaalsContact O-N 3.11Å; D252-E255 HydrophobicContact CB-CB 4.25Å; D252-E255 HydrophobicContact CB-CG 4.09Å; D252-E255 PolarHBondContact O-N 3.43Å; D252-D256 PolarHBondContact O-N 3.41Å
253P71.6Confident67Low97 Ų9795.5 Ų95.563%0.6354%0.543SS*.Hα-helixtrans-54.4-32178.4-27.934.6000114.5D256 A257P253-D256 PolarHBondContact O-N 3.2Å; P253-A257 PolarHBondContact O-N 3.21Å; P253-A257 VanDerWaalsContact O-N 3.12Å
254V68.8Low67.3Low97 Ų9792.4 Ų92.459%0.58852%0.52SS*.Hα-helixtrans-68.1-40.5178.5-177.40000111.1D252 K258 L264D252-V254 PolarHBondContact O-N 3.08Å; D252-V254 VanDerWaalsContact O-N 3.11Å; V254-K258 VanDerWaalsContact O-CB 3.32Å; V254-K258 WeakPolarHBondContact O-CB 3.43Å; V254-K258 PolarHBondContact O-N 3.08Å; V254-K258 VanDerWaalsContact O-N 3.09Å; V254-L264 HydrophobicContact CG2-CD2 4.01Å
255E67Low67Low92 Ų9294.8 Ų94.843%0.4351%0.511SS..Hα-helixtrans-74-34.2177.8-67.6-152.6169.200112.1F250 D252 K259F250-E255 HydrophobicContact CB-CB 4.05Å; F250-E255 HydrophobicContact CG-CB 4.43Å; D252-E255 HydrophobicContact CB-CB 4.25Å; D252-E255 HydrophobicContact CB-CG 4.09Å; D252-E255 PolarHBondContact O-N 3.43Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.41Å; E255-K259 PolarHBondContact O-N 2.96Å; E255-K259 IonicContact OE2-NZ 2.79Å; E255-K259 PolarHBondContact OE2-NZ 3.47Å
256D73.6Confident67.1Low11 Ų1195.9 Ų95.96%0.05952%0.517CS..Hα-helixtrans-63.9-42.3177.9-150.852.2000111.2G248 F249 F250 D252 P253 R260G248-D256 PolarHBondContact N-OD2 2.95Å; F249-D256 PolarHBondContact N-OD1 2.96Å; F250-D256 HydrophobicContact CB-CB 4.19Å; F250-D256 WeakPolarHBondContact CD2-OD1 3.31Å; F250-D256 PolarHBondContact N-OD1 3.22Å; D252-D256 PolarHBondContact O-N 3.41Å; P253-D256 PolarHBondContact O-N 3.2Å; D256-R260 PolarHBondContact O-N 3.32Å; D256-R260 IonicContact OD2-CZ 2.69Å; D256-R260 IonicContact OD2-NE 2.77Å; D256-R260 IonicContact OD2-NH2 4Å; D256-R260 PolarHBondContact OD2-NH2 2.94Å
257A69.1Low67.3Low16 Ų1696.1 Ų96.113%0.13252%0.519CS..Hα-helixtrans-69.6-46.7175.500000112.3P253 K259 R260 G261 A262 L264P253-A257 PolarHBondContact O-N 3.21Å; P253-A257 VanDerWaalsContact O-N 3.12Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 3.23Å; A257-R260 CarbonylContact O-C 3.55Å; A257-R260 PolarHBondContact O-N 2.91Å; A257-R260 VanDerWaalsContact O-N 3.07Å; A257-G261 PolarHBondContact O-N 3.05Å; A257-A262 CarbonylContact C-O 3.59Å; A257-A262 WeakPolarHBondContact CB-O 3.48Å; A257-A262 PolarHBondContact O-N 3.43Å; A257-A262 VanDerWaalsContact O-N 3.07Å; A257-L264 HydrophobicContact CB-CB 3.75Å
258K69.7Low67.6Low170 Ų17094.4 Ų94.474%0.73951%0.514SS*.Hα-helixtrans-59.1-39.3179-175175-178.2175.70112.4V254 R260 G261V254-K258 VanDerWaalsContact O-CB 3.32Å; V254-K258 WeakPolarHBondContact O-CB 3.43Å; V254-K258 PolarHBondContact O-N 3.08Å; V254-K258 VanDerWaalsContact O-N 3.09Å; K258-R260 VanDerWaalsContact C-N 3.34Å; K258-G261 PolarHBondContact O-N 3.42Å
259K67Low68.1Low96 Ų9695.9 Ų95.942%0.41751%0.509SS..Hα-helixtrans-75.4-22.4178.9-73170.3-171.8148.90113.1F250 E255 A257 G261F250-K259 HydrophobicContact CD1-CD 4.18Å; F250-K259 HydrophobicContact CD2-CD 3.54Å; F250-K259 HydrophobicContact CE1-CD 3.81Å; F250-K259 HydrophobicContact CE2-CB 4.2Å; F250-K259 HydrophobicContact CE2-CD 3.08Å; F250-K259 HydrophobicContact CE2-CG 4.25Å; F250-K259 HydrophobicContact CG-CD 4.06Å; F250-K259 HydrophobicContact CZ-CD 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.41Å; E255-K259 PolarHBondContact O-N 2.96Å; E255-K259 IonicContact OE2-NZ 2.79Å; E255-K259 PolarHBondContact OE2-NZ 3.47Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 3.23Å; K259-G261 VanDerWaalsContact C-N 3.3Å
260R65.6Low68.5Low120 Ų12094.2 Ų94.245%0.45350%0.502SS..THydrogen-bonded Turntrans-83.3-0.7168.7-79.5-167.9-99.8169.3-5114.1E247 D256 A257 K258 A262E247-R260 VanDerWaalsContact CA-NH2 3.34Å; E247-R260 IonicContact OE1-CZ 3.53Å; E247-R260 IonicContact OE1-NH1 3.7Å; E247-R260 PolarHBondContact OE1-NH1 3.44Å; E247-R260 IonicContact OE1-NH2 3.76Å; D256-R260 PolarHBondContact O-N 3.32Å; D256-R260 IonicContact OD2-CZ 2.69Å; D256-R260 IonicContact OD2-NE 2.77Å; D256-R260 IonicContact OD2-NH2 4Å; D256-R260 PolarHBondContact OD2-NH2 2.94Å; A257-R260 CarbonylContact O-C 3.55Å; A257-R260 PolarHBondContact O-N 2.91Å; A257-R260 VanDerWaalsContact O-N 3.07Å; K258-R260 VanDerWaalsContact C-N 3.34Å; R260-A262 PolarHBondContact O-N 2.88Å
261G58.7Low69.5Low71 Ų7198.1 Ų98.173%0.73252%0.521SS*.THydrogen-bonded Turntrans65.912.4-174.300000113.4A257 K258 K259A257-G261 PolarHBondContact O-N 3.05Å; K258-G261 PolarHBondContact O-N 3.42Å; K259-G261 VanDerWaalsContact C-N 3.3Å
262A59Low70Confident55 Ų5596.9 Ų96.946%0.45551%0.505SS..  trans-86.8112.9170.500000107.3A257 R260 L264A257-A262 CarbonylContact C-O 3.59Å; A257-A262 WeakPolarHBondContact CB-O 3.48Å; A257-A262 PolarHBondContact O-N 3.43Å; A257-A262 VanDerWaalsContact O-N 3.07Å; R260-A262 PolarHBondContact O-N 2.88Å; A262-L264 PolarHBondContact O-N 2.88Å
263E61.4Low70.5Confident158 Ų15895.7 Ų95.774%0.73850%0.504SS*.  trans-66104.4172.1-163.6170.9-138.800107.4K265E263-K265 HydrophobicContact CG-CG 4.31Å; E263-K265 PolarHBondContact O-N 2.96Å; E263-K265 VanDerWaalsContact OE2-CE 3.23Å; E263-K265 WeakPolarHBondContact OE2-CE 3.34Å; E263-K265 IonicContact OE2-NZ 3.47Å
264L56.7Low71.2Confident87 Ų8798.5 Ų98.546%0.45550%0.502SS..  trans-66.987.3167.1-177.471.1000106.6V254 A257 A262 D266V254-L264 HydrophobicContact CG2-CD2 4.01Å; A257-L264 HydrophobicContact CB-CB 3.75Å; A262-L264 PolarHBondContact O-N 2.88Å; L264-D266 PolarHBondContact O-N 3.05Å
265K59.8Low72.3Confident121 Ų12199 Ų9953%0.52650%0.496SS..  trans-67.2128160.9-67.4177.3-179.9175.80105.5E263E263-K265 HydrophobicContact CG-CG 4.31Å; E263-K265 PolarHBondContact O-N 2.96Å; E263-K265 VanDerWaalsContact OE2-CE 3.23Å; E263-K265 WeakPolarHBondContact OE2-CE 3.34Å; E263-K265 IonicContact OE2-NZ 3.47Å
266D65.9Low73.5Confident92 Ų9299 Ų9949%0.49250%0.496SS..  trans-53.1135.6174.7-79.3-29.9000107.6L264 L268 D269 E270L264-D266 PolarHBondContact O-N 3.05Å; D266-L268 PolarHBondContact O-N 3.29Å; D266-D269 HydrophobicContact CB-CB 4.26Å; D266-D269 WeakPolarHBondContact O-CA 3.38Å; D266-D269 WeakPolarHBondContact O-CB 3.47Å; D266-D269 PolarHBondContact O-N 3.4Å; D266-E270 PolarHBondContact O-N 2.99Å
267P74Confident74.4Confident90 Ų90104.6 Ų104.658%0.58452%0.52SS*.Hα-helixtrans-54.7-30.8-178.720.3-31.9000111.3E271P267-E271 WeakPolarHBondContact O-CB 3.42Å; P267-E271 WeakPolarHBondContact O-CG 3.47Å; P267-E271 PolarHBondContact O-N 3.36Å
268L74.2Confident75.4Confident124 Ų124109.3 Ų109.365%0.64954%0.539SS*.Hα-helixtrans-66-41.1173-173.463.5000113.1D266 W272D266-L268 PolarHBondContact O-N 3.29Å; L268-W272 WeakPolarHBondContact O-CB 3.3Å; L268-W272 PolarHBondContact O-N 3.21Å
269D79.6Confident76.6Confident88 Ų88105.6 Ų105.647%0.47153%0.527SS..Hα-helixtrans-70.7-33.7179.4-75.5-12000111.6D266 S273D266-D269 HydrophobicContact CB-CB 4.26Å; D266-D269 WeakPolarHBondContact O-CA 3.38Å; D266-D269 WeakPolarHBondContact O-CB 3.47Å; D266-D269 PolarHBondContact O-N 3.4Å; D269-S273 WeakPolarHBondContact O-CB 3.27Å; D269-S273 PolarHBondContact O-N 3.07Å; D269-S273 PolarHBondContact O-OG 3.37Å
270E79.6Confident77.9Confident86 Ų86106.4 Ų106.440%0.40254%0.535SS..Hα-helixtrans-70.7-46.6174-170.1175.8177.200111.7D266 W272 S273 R274D266-E270 PolarHBondContact O-N 2.99Å; E270-W272 VanDerWaalsContact C-N 3.28Å; E270-W272 PolarHBondContact O-N 3.06Å; E270-S273 PolarHBondContact O-N 3.02Å; E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 VanDerWaalsContact O-CG 3.25Å; E270-R274 WeakPolarHBondContact O-CG 3.42Å; E270-R274 PolarHBondContact O-N 3.48Å; E270-R274 IonicContact OE1-CZ 3.69Å; E270-R274 IonicContact OE1-NE 3.96Å; E270-R274 IonicContact OE1-NH2 2.66Å; E270-R274 PolarHBondContact OE1-NH2 3.24Å
271E86.5Confident79.3Confident132 Ų132105 Ų10562%0.61754%0.535SS*.Hα-helixtrans-60.6-38.6172.8-75.1179.3-165.100111.6P267 R274 F275P267-E271 WeakPolarHBondContact O-CB 3.42Å; P267-E271 WeakPolarHBondContact O-CG 3.47Å; P267-E271 PolarHBondContact O-N 3.36Å; E271-R274 PolarHBondContact O-N 3.07Å; E271-F275 WeakPolarHBondContact O-CB 3.49Å; E271-F275 PolarHBondContact O-N 2.88Å
272W86.7Confident80.9Confident137 Ų137106.9 Ų106.952%0.51953%0.525SS..Hα-helixtrans-67.5-44.2176.8-172.8-110.1000112.4L268 E270 R274 F275 Q276L268-W272 WeakPolarHBondContact O-CB 3.3Å; L268-W272 PolarHBondContact O-N 3.21Å; E270-W272 VanDerWaalsContact C-N 3.28Å; E270-W272 PolarHBondContact O-N 3.06Å; W272-R274 VanDerWaalsContact C-N 3.28Å; W272-R274 PolarHBondContact O-N 3.43Å; W272-F275 HydrophobicContact CE3-CD1 4.07Å; W272-F275 HydrophobicContact CH2-CD1 4.16Å; W272-F275 HydrophobicContact CH2-CE1 4.33Å; W272-F275 AromaticContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CE1 4.08Å; W272-F275 PolarHBondContact O-N 3.45Å; W272-Q276 WeakPolarHBondContact O-CG 3.44Å; W272-Q276 PolarHBondContact O-N 3.45Å
273S86.6Confident82.6Confident70 Ų70109.8 Ų109.849%0.4953%0.529SS..Hα-helixtrans-62.4-37.6175.5-60.70000111.6D269 E270 K277D269-S273 WeakPolarHBondContact O-CB 3.27Å; D269-S273 PolarHBondContact O-N 3.07Å; D269-S273 PolarHBondContact O-OG 3.37Å; E270-S273 PolarHBondContact O-N 3.02Å; S273-K277 WeakPolarHBondContact O-CB 3.49Å; S273-K277 PolarHBondContact O-N 3.38Å
274R86.6Confident84.2Confident156 Ų156107.5 Ų107.559%0.58952%0.522SS*.Hα-helixtrans-65.1-44.2173.2-71.6172.7-174.1-160.34.1111.3E270 E271 W272 K277 E278E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 VanDerWaalsContact O-CG 3.25Å; E270-R274 WeakPolarHBondContact O-CG 3.42Å; E270-R274 PolarHBondContact O-N 3.48Å; E270-R274 IonicContact OE1-CZ 3.69Å; E270-R274 IonicContact OE1-NE 3.96Å; E270-R274 IonicContact OE1-NH2 2.66Å; E270-R274 PolarHBondContact OE1-NH2 3.24Å; E271-R274 PolarHBondContact O-N 3.07Å; W272-R274 VanDerWaalsContact C-N 3.28Å; W272-R274 PolarHBondContact O-N 3.43Å; R274-K277 WeakPolarHBondContact O-CB 3.3Å; R274-K277 PolarHBondContact O-N 3.16Å; R274-E278 WeakPolarHBondContact O-CB 3.48Å; R274-E278 PolarHBondContact O-N 3.18Å
275F90.9Very high86Confident106 Ų106107.9 Ų107.947%0.46552%0.523SS..Hα-helixtrans-63.4-41.9177.5-178.6-108.9000112.6E271 W272 K277 E278 L279E271-F275 WeakPolarHBondContact O-CB 3.49Å; E271-F275 PolarHBondContact O-N 2.88Å; W272-F275 HydrophobicContact CE3-CD1 4.07Å; W272-F275 HydrophobicContact CH2-CD1 4.16Å; W272-F275 HydrophobicContact CH2-CE1 4.33Å; W272-F275 AromaticContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CE1 4.08Å; W272-F275 PolarHBondContact O-N 3.45Å; F275-K277 VanDerWaalsContact C-N 3.35Å; F275-E278 PolarHBondContact O-N 2.86Å; F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.41Å; F275-L279 HydrophobicContact CE1-CD1 3.37Å; F275-L279 HydrophobicContact CE1-CG 4.01Å; F275-L279 HydrophobicContact CE2-CG 4.35Å; F275-L279 HydrophobicContact CZ-CD1 3.76Å; F275-L279 HydrophobicContact CZ-CD2 4.19Å; F275-L279 HydrophobicContact CZ-CG 3.96Å; F275-L279 WeakPolarHBondContact O-CG 3.42Å; F275-L279 PolarHBondContact O-N 2.95Å
276Q92.8Very high87.6Confident93 Ų93104.6 Ų104.644%0.43552%0.519SS..Hα-helixtrans-63.8-40.9174.8-71.2-173.7-52.200112.2W272 E278 L279 L280W272-Q276 WeakPolarHBondContact O-CG 3.44Å; W272-Q276 PolarHBondContact O-N 3.45Å; Q276-E278 VanDerWaalsContact C-N 3.34Å; Q276-L279 PolarHBondContact O-N 3.02Å; Q276-L280 WeakPolarHBondContact O-CG 3.44Å; Q276-L280 PolarHBondContact O-N 3.36Å
277K92.4Very high89.1Confident129 Ų129104.9 Ų104.956%0.56152%0.52SS*.Hα-helixtrans-62.2-43.8174.8-177.7179175.6-178.70111.1S273 R274 F275 L280 M281S273-K277 WeakPolarHBondContact O-CB 3.49Å; S273-K277 PolarHBondContact O-N 3.38Å; R274-K277 WeakPolarHBondContact O-CB 3.3Å; R274-K277 PolarHBondContact O-N 3.16Å; F275-K277 VanDerWaalsContact C-N 3.35Å; K277-L280 PolarHBondContact O-N 3.3Å; K277-M281 HydrophobicContact CD-CE 4.25Å; K277-M281 HydrophobicContact CG-CE 3.98Å; K277-M281 HydrophobicContact CG-SD 4.19Å; K277-M281 VanDerWaalsContact O-CG 3.28Å; K277-M281 WeakPolarHBondContact O-CG 3.46Å; K277-M281 PolarHBondContact O-N 3.48Å
278E89.9Confident90.1Very high114 Ų114106.3 Ų106.353%0.53352%0.523SS..Hα-helixtrans-63.4-44.4177-165.665.5-161.400111.6R274 F275 Q276 L280 M281 E282R274-E278 WeakPolarHBondContact O-CB 3.48Å; R274-E278 PolarHBondContact O-N 3.18Å; F275-E278 PolarHBondContact O-N 2.86Å; Q276-E278 VanDerWaalsContact C-N 3.34Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 3.11Å; E278-M281 PolarHBondContact O-N 3.25Å; E278-E282 WeakPolarHBondContact O-CB 3.41Å; E278-E282 PolarHBondContact O-N 2.97Å
279L94.2Very high91Very high93 Ų93106.6 Ų106.649%0.48753%0.525SS..Hα-helixtrans-58-45175.7-81.1176.1000112.4F275 Q276 M281 E282 E283F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.41Å; F275-L279 HydrophobicContact CE1-CD1 3.37Å; F275-L279 HydrophobicContact CE1-CG 4.01Å; F275-L279 HydrophobicContact CE2-CG 4.35Å; F275-L279 HydrophobicContact CZ-CD1 3.76Å; F275-L279 HydrophobicContact CZ-CD2 4.19Å; F275-L279 HydrophobicContact CZ-CG 3.96Å; F275-L279 WeakPolarHBondContact O-CG 3.42Å; F275-L279 PolarHBondContact O-N 2.95Å; Q276-L279 PolarHBondContact O-N 3.02Å; L279-M281 VanDerWaalsContact C-N 3.34Å; L279-E282 PolarHBondContact O-N 3.4Å; L279-E283 VanDerWaalsContact O-CB 3.3Å; L279-E283 WeakPolarHBondContact O-CB 3.32Å; L279-E283 PolarHBondContact O-N 3.43Å
280L94.6Very high91.7Very high113 Ų113107.9 Ų107.959%0.59253%0.531SS*.Hα-helixtrans-66.8-36.4177.5-73172.8000112.3Q276 K277 E278 N284Q276-L280 WeakPolarHBondContact O-CG 3.44Å; Q276-L280 PolarHBondContact O-N 3.36Å; K277-L280 PolarHBondContact O-N 3.3Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 3.11Å; L280-N284 WeakPolarHBondContact O-CB 3.46Å; L280-N284 PolarHBondContact O-N 3.49Å
281M94.5Very high92.4Very high91 Ų91108.6 Ų108.645%0.44853%0.534SS..Hα-helixtrans-66.2-45.5176-75.1179.4168.600111.1K277 E278 L279 N284 I285K277-M281 HydrophobicContact CD-CE 4.25Å; K277-M281 HydrophobicContact CG-CE 3.98Å; K277-M281 HydrophobicContact CG-SD 4.19Å; K277-M281 VanDerWaalsContact O-CG 3.28Å; K277-M281 WeakPolarHBondContact O-CG 3.46Å; K277-M281 PolarHBondContact O-N 3.48Å; E278-M281 PolarHBondContact O-N 3.25Å; L279-M281 VanDerWaalsContact C-N 3.34Å; M281-N284 PolarHBondContact O-N 3.16Å; M281-I285 WeakPolarHBondContact O-CD1 3.48Å; M281-I285 VanDerWaalsContact O-CG1 3.23Å; M281-I285 WeakPolarHBondContact O-CG1 3.3Å; M281-I285 PolarHBondContact O-N 2.93Å
282E92.4Very high92.8Very high109 Ų109104 Ų10451%0.50952%0.522SS..Hα-helixtrans-66.8-39.3178-167.763.7-159.500111.9E278 L279 I285 A286E278-E282 WeakPolarHBondContact O-CB 3.41Å; E278-E282 PolarHBondContact O-N 2.97Å; L279-E282 PolarHBondContact O-N 3.4Å; E282-I285 PolarHBondContact O-N 3.3Å; E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.83Å
283E95.4Very high93.2Very high116 Ų116101.7 Ų101.754%0.54252%0.52SS..Hα-helixtrans-60.3-46.4173.2-176.7174.1-158.600111.1L279 I285 A286 D287L279-E283 VanDerWaalsContact O-CB 3.3Å; L279-E283 WeakPolarHBondContact O-CB 3.32Å; L279-E283 PolarHBondContact O-N 3.43Å; E283-I285 VanDerWaalsContact C-N 3.3Å; E283-I285 PolarHBondContact O-N 2.94Å; E283-A286 WeakPolarHBondContact O-CB 3.37Å; E283-A286 PolarHBondContact O-N 3.4Å; E283-A286 VanDerWaalsContact O-N 3.16Å; E283-D287 PolarHBondContact O-N 3.41Å
284N94.1Very high93.7Very high110 Ų110103.2 Ų103.259%0.58852%0.522SS*.Hα-helixtrans-64.5-34176.6-178.186.6000112.7L280 M281 D288L280-N284 WeakPolarHBondContact O-CB 3.46Å; L280-N284 PolarHBondContact O-N 3.49Å; M281-N284 PolarHBondContact O-N 3.16Å; N284-D288 WeakPolarHBondContact O-CB 3.36Å; N284-D288 PolarHBondContact O-N 2.8Å
285I95.3Very high94.1Very high95 Ų95101.3 Ų101.349%0.48752%0.52SS..Hα-helixtrans-67.8-41.6173.7-69.1163.7000110.4M281 E282 E283 D288 L289M281-I285 WeakPolarHBondContact O-CD1 3.48Å; M281-I285 VanDerWaalsContact O-CG1 3.23Å; M281-I285 WeakPolarHBondContact O-CG1 3.3Å; M281-I285 PolarHBondContact O-N 2.93Å; E282-I285 PolarHBondContact O-N 3.3Å; E283-I285 VanDerWaalsContact C-N 3.3Å; E283-I285 PolarHBondContact O-N 2.94Å; I285-D288 PolarHBondContact O-N 3.43Å; I285-L289 WeakPolarHBondContact O-CB 3.41Å; I285-L289 PolarHBondContact O-N 3.38Å
286A94.4Very high94.2Very high53 Ų53102.4 Ų102.444%0.43853%0.526SS..Hα-helixtrans-63.5-41.7177.400000111.9E282 E283 L289 L290E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.83Å; E283-A286 WeakPolarHBondContact O-CB 3.37Å; E283-A286 PolarHBondContact O-N 3.4Å; E283-A286 VanDerWaalsContact O-N 3.16Å; A286-L289 PolarHBondContact O-N 3.02Å; A286-L290 PolarHBondContact O-N 3.06Å
287D96.5Very high94.3Very high97 Ų97103.4 Ų103.452%0.51953%0.533SS..Hα-helixtrans-64.9-44.6175.6-77.4-11000112E283 L289 L290 E291E283-D287 PolarHBondContact O-N 3.41Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3Å; D287-L290 PolarHBondContact O-N 2.89Å; D287-E291 PolarHBondContact O-N 3.41Å
288D95.7Very high94.4Very high121 Ų121102 Ų10265%0.64753%0.531SS*.Hα-helixtrans-61.8-39.3176.8-170.951.3000111.7N284 I285 G292N284-D288 WeakPolarHBondContact O-CB 3.36Å; N284-D288 PolarHBondContact O-N 2.8Å; I285-D288 PolarHBondContact O-N 3.43Å; D288-G292 PolarHBondContact O-N 2.89Å
289L91.2Very high94.8Very high130 Ų130101.7 Ų101.768%0.68153%0.532SS*.Hα-helixtrans-65.6-42175.5-176.763.3000112I285 A286 D287 G292 D293I285-L289 WeakPolarHBondContact O-CB 3.41Å; I285-L289 PolarHBondContact O-N 3.38Å; A286-L289 PolarHBondContact O-N 3.02Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3Å; L289-G292 PolarHBondContact O-N 2.88Å; L289-D293 PolarHBondContact O-N 2.88Å
290L94.4Very high94.9Very high115 Ų115103.2 Ų103.260%0.60254%0.537SS*.Hα-helixtrans-67.1-42179.2-177.564.1000111.8A286 D287 G292 D293 L294A286-L290 PolarHBondContact O-N 3.06Å; D287-L290 PolarHBondContact O-N 2.89Å; L290-G292 VanDerWaalsContact C-N 3.31Å; L290-G292 PolarHBondContact O-N 3.31Å; L290-D293 PolarHBondContact O-N 3.28Å; L290-L294 PolarHBondContact O-N 3.4Å
291E95.6Very high94.9Very high101 Ų101106.5 Ų106.547%0.47254%0.541SS..Hα-helixtrans-61-43.7174.2-174.362.5-155.900110.4D287 D293 L294 E295D287-E291 PolarHBondContact O-N 3.41Å; E291-D293 PolarHBondContact O-N 3.03Å; E291-L294 PolarHBondContact O-N 3.31Å; E291-E295 WeakPolarHBondContact O-CG 3.48Å; E291-E295 PolarHBondContact O-N 3.18Å
292G94.2Very high95Very high35 Ų35104.1 Ų104.136%0.36153%0.534SS..Hα-helixtrans-58.7-42.2175.200000113.6D288 L289 L290 E295 Q296D288-G292 PolarHBondContact O-N 2.89Å; L289-G292 PolarHBondContact O-N 2.88Å; L290-G292 VanDerWaalsContact C-N 3.31Å; L290-G292 PolarHBondContact O-N 3.31Å; G292-E295 PolarHBondContact O-N 3Å; G292-Q296 WeakPolarHBondContact O-CB 3.3Å; G292-Q296 PolarHBondContact O-N 3.18Å
293D96.1Very high95.2Very high88 Ų88103.3 Ų103.347%0.47153%0.533SS..Hα-helixtrans-66.2-41.3177.2-167.342.4000111.7L289 L290 E291 Q296 M297L289-D293 PolarHBondContact O-N 2.88Å; L290-D293 PolarHBondContact O-N 3.28Å; E291-D293 PolarHBondContact O-N 3.03Å; D293-Q296 PolarHBondContact O-N 2.99Å; D293-M297 WeakPolarHBondContact O-CG 3.44Å; D293-M297 PolarHBondContact O-N 3.36Å
294L96.3Very high95.3Very high102 Ų102102.6 Ų102.653%0.53453%0.532SS..Hα-helixtrans-63.7-44.2175.5-178.264000112.1L290 E291 Q296 M297 N298L290-L294 PolarHBondContact O-N 3.4Å; E291-L294 PolarHBondContact O-N 3.31Å; L294-Q296 VanDerWaalsContact C-N 3.28Å; L294-Q296 PolarHBondContact O-N 3.46Å; L294-M297 PolarHBondContact O-N 3.15Å; L294-N298 WeakPolarHBondContact O-CB 3.49Å; L294-N298 PolarHBondContact O-N 3.48Å
295E94.5Very high95.4Very high116 Ų116103.6 Ų103.654%0.54253%0.534SS..Hα-helixtrans-59.5-41.2174.2-74.3-164.7163.100111.4E291 G292 N298 L299E291-E295 WeakPolarHBondContact O-CG 3.48Å; E291-E295 PolarHBondContact O-N 3.18Å; G292-E295 PolarHBondContact O-N 3Å; E295-N298 PolarHBondContact O-N 3.46Å; E295-L299 WeakPolarHBondContact O-CB 3.42Å; E295-L299 PolarHBondContact O-N 2.95Å
296Q93.6Very high95.5Very high129 Ų129102.8 Ų102.860%0.60353%0.53SS*.Hα-helixtrans-65.7-44.6177.7-176.9170.5-12.100112.1G292 D293 L294 N298 L299 E300G292-Q296 WeakPolarHBondContact O-CB 3.3Å; G292-Q296 PolarHBondContact O-N 3.18Å; D293-Q296 PolarHBondContact O-N 2.99Å; L294-Q296 VanDerWaalsContact C-N 3.28Å; L294-Q296 PolarHBondContact O-N 3.46Å; Q296-N298 VanDerWaalsContact C-N 3.31Å; Q296-N298 PolarHBondContact O-N 3.34Å; Q296-L299 WeakPolarHBondContact O-CB 3.35Å; Q296-L299 PolarHBondContact O-N 3.38Å; Q296-E300 PolarHBondContact O-N 3.42Å
297M94.6Very high95.6Very high115 Ų115104 Ų10457%0.56753%0.529SS*.Hα-helixtrans-59.2-42174.4-75-174.462.700112.1D293 L294 L299 E300 R301D293-M297 WeakPolarHBondContact O-CG 3.44Å; D293-M297 PolarHBondContact O-N 3.36Å; L294-M297 PolarHBondContact O-N 3.15Å; M297-L299 VanDerWaalsContact C-N 3.34Å; M297-E300 PolarHBondContact O-N 3.37Å; M297-R301 PolarHBondContact O-N 3.03Å; M297-R301 VanDerWaalsContact O-N 3.12Å
298N95.7Very high95.6Very high100 Ų100103.4 Ų103.454%0.53552%0.523SS..Hα-helixtrans-66.4-38.8177.7-170.512.9000111.6L294 E295 Q296 S302L294-N298 WeakPolarHBondContact O-CB 3.49Å; L294-N298 PolarHBondContact O-N 3.48Å; E295-N298 PolarHBondContact O-N 3.46Å; Q296-N298 VanDerWaalsContact C-N 3.31Å; Q296-N298 PolarHBondContact O-N 3.34Å; N298-S302 WeakPolarHBondContact O-CB 3.23Å; N298-S302 PolarHBondContact O-N 3.48Å; N298-S302 PolarHBondContact O-OG 2.94Å
299L97.3Very high95.7Very high106 Ų106102.3 Ų102.356%0.55551%0.514SS*.Hα-helixtrans-63.7-44.1175.5-177.563.3000111.7E295 Q296 M297 S302 L303E295-L299 WeakPolarHBondContact O-CB 3.42Å; E295-L299 PolarHBondContact O-N 2.95Å; Q296-L299 WeakPolarHBondContact O-CB 3.35Å; Q296-L299 PolarHBondContact O-N 3.38Å; M297-L299 VanDerWaalsContact C-N 3.34Å; L299-S302 WeakPolarHBondContact O-CB 3.4Å; L299-S302 PolarHBondContact O-N 3.34Å; L299-L303 HydrophobicContact CG-CD1 4.35Å; L299-L303 WeakPolarHBondContact O-CG 3.41Å; L299-L303 PolarHBondContact O-N 3.41Å
300E96.2Very high96Very high125 Ų125101.2 Ų101.258%0.58451%0.508SS*.Hα-helixtrans-59.9-48.5177.8-173.3171.7-16300111.3Q296 M297 S302 L303 D304Q296-E300 PolarHBondContact O-N 3.42Å; M297-E300 PolarHBondContact O-N 3.37Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 3.42Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.27Å; E300-L303 VanDerWaalsContact O-N 3.15Å; E300-D304 PolarHBondContact O-N 3.06Å; E300-D304 VanDerWaalsContact O-N 3.08Å
301R95.6Very high96.1Very high182 Ų182101.8 Ų101.869%0.68750%0.502SS*.Hα-helixtrans-56.9-43.4173.6-178.4-171.7174.296.44.4112.2M297 L303 D304 E305M297-R301 PolarHBondContact O-N 3.03Å; M297-R301 VanDerWaalsContact O-N 3.12Å; R301-L303 VanDerWaalsContact C-N 3.32Å; R301-D304 PolarHBondContact O-N 3.36Å; R301-E305 PolarHBondContact O-N 3.14Å; R301-E305 VanDerWaalsContact O-N 3.1Å
302S96.6Very high96.2Very high42 Ų4297.9 Ų97.929%0.29449%0.489SS..Hα-helixtrans-65.4-37.1179.9-60.70000111.6N298 L299 E300 E305 L306N298-S302 WeakPolarHBondContact O-CB 3.23Å; N298-S302 PolarHBondContact O-N 3.48Å; N298-S302 PolarHBondContact O-OG 2.94Å; L299-S302 WeakPolarHBondContact O-CB 3.4Å; L299-S302 PolarHBondContact O-N 3.34Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 3.42Å; S302-E305 PolarHBondContact O-N 3.3Å; S302-L306 VanDerWaalsContact O-CG 3.27Å; S302-L306 WeakPolarHBondContact O-CG 3.5Å; S302-L306 PolarHBondContact O-N 3.43Å
303L96.2Very high96.3Very high91 Ų91102 Ų10248%0.47649%0.494SS..Hα-helixtrans-65-42.9176-72.4172.9000111.5L299 E300 R301 E305 L306 D307L299-L303 HydrophobicContact CG-CD1 4.35Å; L299-L303 WeakPolarHBondContact O-CG 3.41Å; L299-L303 PolarHBondContact O-N 3.41Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.27Å; E300-L303 VanDerWaalsContact O-N 3.15Å; R301-L303 VanDerWaalsContact C-N 3.32Å; L303-E305 VanDerWaalsContact C-N 3.31Å; L303-E305 PolarHBondContact O-N 3.32Å; L303-L306 PolarHBondContact O-N 3.18Å; L303-D307 PolarHBondContact O-N 3.12Å
304D97.1Very high96.3Very high101 Ų101100.2 Ų100.254%0.5449%0.492SS..Hα-helixtrans-61.3-40.3176-74.7-23000112.3E300 R301 D307 E308E300-D304 PolarHBondContact O-N 3.06Å; E300-D304 VanDerWaalsContact O-N 3.08Å; R301-D304 PolarHBondContact O-N 3.36Å; D304-D307 PolarHBondContact O-N 3.04Å; D304-E308 PolarHBondContact O-N 2.79Å; D304-E308 VanDerWaalsContact O-N 3.11Å
305E97Very high96.3Very high131 Ų131102.1 Ų102.161%0.61249%0.492SS*.Hα-helixtrans-64.2-45.5175.9-176171.7177.600111.6R301 S302 L303 D307 E308 E309R301-E305 PolarHBondContact O-N 3.14Å; R301-E305 VanDerWaalsContact O-N 3.1Å; S302-E305 PolarHBondContact O-N 3.3Å; L303-E305 VanDerWaalsContact C-N 3.31Å; L303-E305 PolarHBondContact O-N 3.32Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.46Å; E305-E308 PolarHBondContact O-N 3.02Å; E305-E309 PolarHBondContact O-N 2.9Å
306L96.7Very high96.4Very high79 Ų7999.4 Ų99.441%0.41448%0.483SS..Hα-helixtrans-61.9-38.4175.8-71.4174.9000112S302 L303 E309 I310S302-L306 VanDerWaalsContact O-CG 3.27Å; S302-L306 WeakPolarHBondContact O-CG 3.5Å; S302-L306 PolarHBondContact O-N 3.43Å; L303-L306 PolarHBondContact O-N 3.18Å; L306-E309 WeakPolarHBondContact O-CB 3.37Å; L306-E309 PolarHBondContact O-N 3.43Å; L306-I310 VanDerWaalsContact O-CG1 3.26Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 2.69Å
307D97.4Very high96.4Very high78 Ų7897.6 Ų97.642%0.41748%0.478SS..Hα-helixtrans-65.8-38176.9-84.6-7.3000112.2L303 D304 E305 I310 R311L303-D307 PolarHBondContact O-N 3.12Å; D304-D307 PolarHBondContact O-N 3.04Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.46Å; D307-I310 PolarHBondContact O-N 2.98Å; D307-R311 VanDerWaalsContact O-CG 3.31Å; D307-R311 WeakPolarHBondContact O-CG 3.47Å; D307-R311 PolarHBondContact O-N 2.82Å; D307-R311 PolarHBondContact O-NE 3.22Å
308E96.4Very high96.4Very high85 Ų8595.8 Ų95.840%0.39747%0.473SS..Hα-helixtrans-66.8-39.7172.5-175.956.9-149.600111.4D304 E305 R311 G312 R315D304-E308 PolarHBondContact O-N 2.79Å; D304-E308 VanDerWaalsContact O-N 3.11Å; E305-E308 PolarHBondContact O-N 3.02Å; E308-R311 PolarHBondContact O-N 3.4Å; E308-R311 IonicContact OE2-CZ 2.83Å; E308-R311 IonicContact OE2-NH1 3.01Å; E308-R311 PolarHBondContact OE2-NH1 3.36Å; E308-G312 PolarHBondContact O-N 2.95Å; E308-R315 IonicContact OE1-NH2 3.74Å; E308-R315 PolarHBondContact OE1-NH2 3.36Å
309E97.7Very high96.4Very high98 Ų9899.1 Ų99.146%0.45848%0.478SS..Hα-helixtrans-59.4-47.2173.2174.9171.2-165.600111.1E305 L306 R311 G312 W313E305-E309 PolarHBondContact O-N 2.9Å; L306-E309 WeakPolarHBondContact O-CB 3.37Å; L306-E309 PolarHBondContact O-N 3.43Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 3.41Å; E309-G312 CarbonylContact O-C 3.18Å; E309-G312 WeakPolarHBondContact O-CA 3.5Å; E309-G312 PolarHBondContact O-N 2.98Å; E309-W313 VanDerWaalsContact CG-NE1 3.26Å; E309-W313 PolarHBondContact O-N 3.37Å; E309-W313 PolarHBondContact OE1-NE1 3.29Å
310I96.5Very high96.2Very high106 Ų10699.6 Ų99.654%0.54448%0.477SS..Hα-helixtrans-59.1-43.5176.7-70165.4000110.8L306 D307 G312 W313 A314L306-I310 VanDerWaalsContact O-CG1 3.26Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 2.69Å; D307-I310 PolarHBondContact O-N 2.98Å; I310-G312 VanDerWaalsContact C-N 3.33Å; I310-G312 PolarHBondContact O-N 2.67Å; I310-W313 PolarHBondContact O-N 3.27Å; I310-A314 VanDerWaalsContact O-CB 3.27Å; I310-A314 WeakPolarHBondContact O-CB 3.39Å; I310-A314 PolarHBondContact O-N 3.14Å
311R97Very high96.1Very high127 Ų12799.7 Ų99.748%0.47948%0.476SS..Hα-helixtrans-63.5-38.7174.6-72.2175.7-128.7139.8-1.4111.9D307 E308 E309 R315D307-R311 VanDerWaalsContact O-CG 3.31Å; D307-R311 WeakPolarHBondContact O-CG 3.47Å; D307-R311 PolarHBondContact O-N 2.82Å; D307-R311 PolarHBondContact O-NE 3.22Å; E308-R311 PolarHBondContact O-N 3.4Å; E308-R311 IonicContact OE2-CZ 2.83Å; E308-R311 IonicContact OE2-NH1 3.01Å; E308-R311 PolarHBondContact OE2-NH1 3.36Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 3.41Å; R311-R315 WeakPolarHBondContact O-CG 3.41Å; R311-R315 PolarHBondContact O-N 3.38Å; R311-R315 PolarHBondContact O-NE 3.39Å
312G96.5Very high95.9Very high20 Ų2096.7 Ų96.721%0.20647%0.468CS..Hα-helixtrans-58.2-55.3173.400000112E308 E309 I310 A314 R315 V316E308-G312 PolarHBondContact O-N 2.95Å; E309-G312 CarbonylContact O-C 3.18Å; E309-G312 WeakPolarHBondContact O-CA 3.5Å; E309-G312 PolarHBondContact O-N 2.98Å; I310-G312 VanDerWaalsContact C-N 3.33Å; I310-G312 PolarHBondContact O-N 2.67Å; G312-A314 VanDerWaalsContact C-N 3.35Å; G312-A314 PolarHBondContact O-N 3.13Å; G312-R315 WeakPolarHBondContact O-CB 3.45Å; G312-R315 PolarHBondContact O-N 3.45Å; G312-R315 VanDerWaalsContact O-N 3.12Å; G312-V316 WeakPolarHBondContact O-CG2 3.13Å; G312-V316 PolarHBondContact O-N 3.41Å
313W97.4Very high95.7Very high120 Ų12099.1 Ų99.146%0.45548%0.48SS..Hα-helixtrans-62.3-39.8177.6-71.2115.7000112.7E309 I310 R315 V316 N317E309-W313 VanDerWaalsContact CG-NE1 3.26Å; E309-W313 PolarHBondContact O-N 3.37Å; E309-W313 PolarHBondContact OE1-NE1 3.29Å; I310-W313 PolarHBondContact O-N 3.27Å; W313-R315 VanDerWaalsContact C-N 3.27Å; W313-R315 PolarHBondContact O-N 3.4Å; W313-V316 PolarHBondContact O-N 3.19Å; W313-N317 WeakPolarHBondContact O-CB 3.28Å; W313-N317 VanDerWaalsContact O-CG 3.27Å; W313-N317 PolarHBondContact O-N 2.78Å; W313-N317 PolarHBondContact O-OD1 3.23Å
314A95.7Very high95.4Very high52 Ų52100.3 Ų100.343%0.4348%0.484SS..Hα-helixtrans-59.6-39.5174.700000111.7I310 G312 V318I310-A314 VanDerWaalsContact O-CB 3.27Å; I310-A314 WeakPolarHBondContact O-CB 3.39Å; I310-A314 PolarHBondContact O-N 3.14Å; G312-A314 VanDerWaalsContact C-N 3.35Å; G312-A314 PolarHBondContact O-N 3.13Å; A314-V318 WeakPolarHBondContact O-CG2 3.39Å; A314-V318 PolarHBondContact O-N 3.34Å
315R96.7Very high95.1Very high142 Ų14299.4 Ų99.454%0.53648%0.476SS..Hα-helixtrans-62.8-52.6172.2-74-179.5-73-175.9-7.9110.7E308 R311 G312 W313 N317 V318 W319E308-R315 IonicContact OE1-NH2 3.74Å; E308-R315 PolarHBondContact OE1-NH2 3.36Å; R311-R315 WeakPolarHBondContact O-CG 3.41Å; R311-R315 PolarHBondContact O-N 3.38Å; R311-R315 PolarHBondContact O-NE 3.39Å; G312-R315 WeakPolarHBondContact O-CB 3.45Å; G312-R315 PolarHBondContact O-N 3.45Å; G312-R315 VanDerWaalsContact O-N 3.12Å; W313-R315 VanDerWaalsContact C-N 3.27Å; W313-R315 PolarHBondContact O-N 3.4Å; R315-N317 VanDerWaalsContact C-N 3.34Å; R315-N317 PolarHBondContact O-N 3.3Å; R315-V318 WeakPolarHBondContact O-CB 3.31Å; R315-V318 PolarHBondContact O-N 3.33Å; R315-V318 VanDerWaalsContact O-N 3.08Å; R315-W319 PolarHBondContact O-N 3.31Å
316V96Very high94.6Very high59 Ų5996.3 Ų96.336%0.35847%0.473SS..Hα-helixtrans-54.4-48-179.6173.30000111.4G312 W313 V318 W319 E320G312-V316 WeakPolarHBondContact O-CG2 3.13Å; G312-V316 PolarHBondContact O-N 3.41Å; W313-V316 PolarHBondContact O-N 3.19Å; V316-V318 VanDerWaalsContact C-N 3.27Å; V316-V318 PolarHBondContact O-N 3.48Å; V316-W319 WeakPolarHBondContact O-CA 3.4Å; V316-W319 WeakPolarHBondContact O-CB 3.33Å; V316-W319 PolarHBondContact O-N 3.01Å; V316-E320 HydrophobicContact CG1-CG 4.26Å; V316-E320 PolarHBondContact O-N 3Å
317N94.4Very high94Very high91 Ų9199.6 Ų99.649%0.48749%0.49SS..Hα-helixtrans-58.3-36.8178.4-70.8-3.5000112.7W313 R315 W319 K321W313-N317 WeakPolarHBondContact O-CB 3.28Å; W313-N317 VanDerWaalsContact O-CG 3.27Å; W313-N317 PolarHBondContact O-N 2.78Å; W313-N317 PolarHBondContact O-OD1 3.23Å; R315-N317 VanDerWaalsContact C-N 3.34Å; R315-N317 PolarHBondContact O-N 3.3Å; N317-W319 VanDerWaalsContact C-N 3.34Å; N317-K321 WeakPolarHBondContact O-CB 3.33Å; N317-K321 PolarHBondContact O-N 3.06Å
318V94.9Very high93.1Very high76 Ų76102.8 Ų102.846%0.46150%0.502SS..Hα-helixtrans-65.6-38.2175.1170.40000111.4A314 R315 V316 K322A314-V318 WeakPolarHBondContact O-CG2 3.39Å; A314-V318 PolarHBondContact O-N 3.34Å; R315-V318 WeakPolarHBondContact O-CB 3.31Å; R315-V318 PolarHBondContact O-N 3.33Å; R315-V318 VanDerWaalsContact O-N 3.08Å; V316-V318 VanDerWaalsContact C-N 3.27Å; V316-V318 PolarHBondContact O-N 3.48Å; V318-K322 HydrophobicContact CG1-CD 4.38Å; V318-K322 WeakPolarHBondContact O-CG 3.37Å; V318-K322 PolarHBondContact O-N 3.32Å; V318-K322 VanDerWaalsContact O-N 3.1Å
319W95.1Very high91.9Very high170 Ų170105.2 Ų105.264%0.64451%0.512SS*.Hα-helixtrans-69.4-44.6176.1-70.299.6000111.9R315 V316 N317 K321 K322 V323R315-W319 PolarHBondContact O-N 3.31Å; V316-W319 WeakPolarHBondContact O-CA 3.4Å; V316-W319 WeakPolarHBondContact O-CB 3.33Å; V316-W319 PolarHBondContact O-N 3.01Å; N317-W319 VanDerWaalsContact C-N 3.34Å; W319-K321 VanDerWaalsContact C-N 3.31Å; W319-K321 PolarHBondContact O-N 2.99Å; W319-K322 PolarHBondContact O-N 2.76Å; W319-K322 VanDerWaalsContact O-N 3.11Å; W319-V323 WeakPolarHBondContact O-CG2 3.15Å; W319-V323 PolarHBondContact O-N 3.13Å
320E93.1Very high89.9Confident117 Ų117106 Ų10655%0.54753%0.525SS..Hα-helixtrans-56.1-47.5176.1-71.1-176.9161.300110.9V316 K322 V323 E324V316-E320 HydrophobicContact CG1-CG 4.26Å; V316-E320 PolarHBondContact O-N 3Å; E320-K322 PolarHBondContact O-N 3.27Å; E320-V323 PolarHBondContact O-N 3.35Å; E320-E324 WeakPolarHBondContact O-CB 3.48Å; E320-E324 PolarHBondContact O-N 3.39Å
321K93.2Very high87.9Confident126 Ų126111.2 Ų111.255%0.54854%0.544SS..Hα-helixtrans-60.5-41.9175.4-174.3175.6178.9176.50112.8N317 W319 V323 E324 E325N317-K321 WeakPolarHBondContact O-CB 3.33Å; N317-K321 PolarHBondContact O-N 3.06Å; W319-K321 VanDerWaalsContact C-N 3.31Å; W319-K321 PolarHBondContact O-N 2.99Å; K321-V323 VanDerWaalsContact C-N 3.34Å; K321-E324 PolarHBondContact O-N 3.37Å; K321-E325 VanDerWaalsContact CE-OE1 3.29Å; K321-E325 WeakPolarHBondContact CE-OE1 3.35Å; K321-E325 WeakPolarHBondContact O-CB 3.37Å; K321-E325 VanDerWaalsContact O-CG 3.32Å; K321-E325 WeakPolarHBondContact O-CG 3.37Å; K321-E325 PolarHBondContact O-N 2.81Å
322K93.2Very high85.9Confident119 Ų119109.8 Ų109.852%0.51756%0.56SS.*Hα-helixtrans-65.4-37.5176.5-76.9175.8179.3177.80112.4V318 W319 E320 A326V318-K322 HydrophobicContact CG1-CD 4.38Å; V318-K322 WeakPolarHBondContact O-CG 3.37Å; V318-K322 PolarHBondContact O-N 3.32Å; V318-K322 VanDerWaalsContact O-N 3.1Å; W319-K322 PolarHBondContact O-N 2.76Å; W319-K322 VanDerWaalsContact O-N 3.11Å; E320-K322 PolarHBondContact O-N 3.27Å; K322-A326 WeakPolarHBondContact O-CB 3.25Å; K322-A326 PolarHBondContact O-N 2.79Å
323V91.5Very high83.7Confident93 Ų93114.2 Ų114.256%0.56459%0.587SS**Hα-helixtrans-67.5-44.7176.4169.70000110.1W319 E320 K321 A326 L327W319-V323 WeakPolarHBondContact O-CG2 3.15Å; W319-V323 PolarHBondContact O-N 3.13Å; E320-V323 PolarHBondContact O-N 3.35Å; K321-V323 VanDerWaalsContact C-N 3.34Å; V323-A326 PolarHBondContact O-N 3.5Å; V323-L327 WeakPolarHBondContact O-CB 3.44Å; V323-L327 PolarHBondContact O-N 2.8Å
324E90.2Very high81.1Confident116 Ų116113.6 Ų113.654%0.54260%0.601SS.*Hα-helixtrans-59.1-49.8174.3-172.1174.5-150.600111E320 K321 A326 L327 E328E320-E324 WeakPolarHBondContact O-CB 3.48Å; E320-E324 PolarHBondContact O-N 3.39Å; K321-E324 PolarHBondContact O-N 3.37Å; E324-A326 VanDerWaalsContact C-N 3.26Å; E324-A326 PolarHBondContact O-N 2.82Å; E324-L327 PolarHBondContact O-N 3Å; E324-L327 VanDerWaalsContact O-N 3.07Å; E324-E328 WeakPolarHBondContact O-CG 3.44Å; E324-E328 PolarHBondContact O-N 3.08Å
325E90Very high78.6Confident83 Ų83117.3 Ų117.339%0.38862%0.619SS.*Hα-helixtrans-60.3-31.5175.7-75.7179.7-161.500113.4K321 K329K321-E325 VanDerWaalsContact CE-OE1 3.29Å; K321-E325 WeakPolarHBondContact CE-OE1 3.35Å; K321-E325 WeakPolarHBondContact O-CB 3.37Å; K321-E325 VanDerWaalsContact O-CG 3.32Å; K321-E325 WeakPolarHBondContact O-CG 3.37Å; K321-E325 PolarHBondContact O-N 2.81Å; E325-K329 VanDerWaalsContact O-CD 3.26Å; E325-K329 WeakPolarHBondContact O-CD 3.5Å; E325-K329 WeakPolarHBondContact O-CE 3.48Å; E325-K329 VanDerWaalsContact O-CG 3.24Å; E325-K329 WeakPolarHBondContact O-CG 3.37Å
326A86.1Confident75.9Confident66 Ų66119.2 Ų119.255%0.54563%0.633SS.*Hα-helixtrans-78.1-31176.300000112.4K322 V323 E324K322-A326 WeakPolarHBondContact O-CB 3.25Å; K322-A326 PolarHBondContact O-N 2.79Å; V323-A326 PolarHBondContact O-N 3.5Å; E324-A326 VanDerWaalsContact C-N 3.26Å; E324-A326 PolarHBondContact O-N 2.82Å
327L84.8Confident73.4Confident148 Ų148121.7 Ų121.778%0.77565%0.654SS**Hα-helixtrans-76.8-36.3177.7-170.866.8000111.9V323 E324V323-L327 WeakPolarHBondContact O-CB 3.44Å; V323-L327 PolarHBondContact O-N 2.8Å; E324-L327 PolarHBondContact O-N 3Å; E324-L327 VanDerWaalsContact O-N 3.07Å
328E78.8Confident70.9Confident144 Ų144121 Ų12167%0.67366%0.656SS**Hα-helixtrans-73.3-25.2178-71.7-171.2158.500113.7E324 P330E324-E328 WeakPolarHBondContact O-CG 3.44Å; E324-E328 PolarHBondContact O-N 3.08Å; E328-P330 WeakPolarHBondContact O-CD 3.46Å
329K71.2Confident68.7Low136 Ų136123 Ų12359%0.59167%0.671SS**SBendtrans-73.5110.2175.4-74166.5-167.6163.30109.1E325 K331E325-K329 VanDerWaalsContact O-CD 3.26Å; E325-K329 WeakPolarHBondContact O-CD 3.5Å; E325-K329 WeakPolarHBondContact O-CE 3.48Å; E325-K329 VanDerWaalsContact O-CG 3.24Å; E325-K329 WeakPolarHBondContact O-CG 3.37Å; K329-K331 PolarHBondContact O-N 3.09Å
330P54.7Low66.7Low115 Ų115122.9 Ų122.975%0.74768%0.677SS**  trans-60.3128.4178.125.2-32.9000109.3E328 A332E328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-A332 PolarHBondContact O-N 3.11Å
331K56.5Low64.6Low216 Ų216122 Ų12294%0.93968%0.684SS**  trans-56.268.8180-65.8174.1177.6171.60113.1K329K329-K331 PolarHBondContact O-N 3.09Å
332A53Low62.6Low97 Ų97122.5 Ų122.580%0.80269%0.692SS**  trans-93.7-4.2-179.500000113.6P330P330-A332 PolarHBondContact O-N 3.11Å
333S50.6Low60.7Low113 Ų113121.4 Ų121.479%0.7970%0.699SS**SBendtrans-160.580.9179.1640000113.2
334S43.7Very low58.9Low107 Ų107123 Ų12375%0.74871%0.705SS**  trans-165.584147.3-160.40000109.9
335V42.2Very low57.2Low130 Ų130123.1 Ų123.179%0.78871%0.708SS**  trans-77.5130.5158.9165.50000105.7
336Q41.8Very low55.8Low181 Ų181127 Ų12785%0.84673%0.726SS**  trans80.184.1170.6-63.3172.6-1.200118
337S43.3Very low54.4Low112 Ų112128 Ų12878%0.78373%0.73SS**  trans-134124.1136.549.80000107.9
338S41Very low53.3Low76 Ų76125 Ų12553%0.53171%0.714SS.*  trans-65.4139.9-170.3-176.60000111.9E340S338-E340 PolarHBondContact O-N 3.13Å; S338-E340 PolarHBondContact OG-N 3.07Å; S338-E340 PolarHBondContact OG-OE2 3.02Å
339P49.6Very low52.7Low119 Ų119123.9 Ų123.977%0.77371%0.709SS**SBendtrans-75.411.9172.931.3-34.2000114.7S341P339-S341 PolarHBondContact O-N 3.12Å
340E51.8Low52.5Low166 Ų166120.7 Ų120.778%0.77671%0.708SS**THydrogen-bonded Turntrans-859-175.5-74.3179.6117.100115.7S338S338-E340 PolarHBondContact O-N 3.13Å; S338-E340 PolarHBondContact OG-N 3.07Å; S338-E340 PolarHBondContact OG-OE2 3.02Å
341S49.1Very low53.3Low100 Ų100120.5 Ų120.570%0.69970%0.701SS**THydrogen-bonded Turntrans-108.89.9-179-166.90000114.8P339P339-S341 PolarHBondContact O-N 3.12Å
342L51.4Low54Low136 Ų136114.3 Ų114.371%0.71268%0.678SS**SBendtrans-104.10.2177.8-67.2178.1000113.8D344L342-D344 VanDerWaalsContact C-N 3.32Å
343S53.5Low55Low95 Ų95116.1 Ų116.166%0.66467%0.669SS**THydrogen-bonded Turntrans-85.7-0.5176.170.60000114.1
344D54.2Low56.1Low128 Ų128113 Ų11368%0.68465%0.65SS**THydrogen-bonded Turntrans-96.8-5.3-179.3-152.732.8000112.7L342L342-D344 VanDerWaalsContact C-N 3.32Å
345L54.5Low57.4Low117 Ų117113.3 Ų113.361%0.61364%0.643SS**SBendtrans-94-15.9175.6-78.6167.2000113.5S347L345-S347 VanDerWaalsContact C-N 3.29Å
346E59.3Low59Low164 Ų164113.4 Ų113.477%0.76664%0.638SS**SBendtrans-77.4-15.5174-78-172.9148.500112.5D348E346-D348 VanDerWaalsContact C-N 3.35Å
347S57.5Low60.7Low89 Ų89108.7 Ų108.762%0.62262%0.618SS**SBendtrans-79.3-17.9177.5-167.10000113.3L345L345-S347 VanDerWaalsContact C-N 3.29Å
348D61.1Low62.2Low83 Ų83113.1 Ų113.144%0.44462%0.618SS.*SBendtrans-89.4-9.7179-74.6-7000112.5E346 A350 D351 L352E346-D348 VanDerWaalsContact C-N 3.35Å; D348-A350 PolarHBondContact O-N 3.07Å; D348-D351 PolarHBondContact O-N 3.19Å; D348-D351 VanDerWaalsContact O-N 3.14Å; D348-L352 HydrophobicContact CB-CD1 4.47Å; D348-L352 WeakPolarHBondContact O-CB 3.29Å; D348-L352 WeakPolarHBondContact O-CG 3.33Å; D348-L352 PolarHBondContact O-N 3.49Å
349E66.7Low63.9Low121 Ų121118.3 Ų118.357%0.56563%0.626SS**Hα-helixtrans-58.5-36.2-179.8-168.583-158.100112L352 E353E349-L352 PolarHBondContact O-N 3.48Å; E349-E353 PolarHBondContact O-N 2.78Å
350A67Low65.1Low70 Ų70114.5 Ų114.558%0.57960%0.602SS**Hα-helixtrans-72.7-34.817800000113.2D348 A354D348-A350 PolarHBondContact O-N 3.07Å; A350-A354 PolarHBondContact O-N 2.93Å
351D70.8Confident66.2Low111 Ų111114.5 Ų114.559%0.59460%0.599SS**Hα-helixtrans-75.2-33.9173.6-94.89.1000110.9D348 A354 I355D348-D351 PolarHBondContact O-N 3.19Å; D348-D351 VanDerWaalsContact O-N 3.14Å; D351-A354 PolarHBondContact O-N 3.32Å; D351-I355 WeakPolarHBondContact O-CD1 3.39Å; D351-I355 WeakPolarHBondContact O-CG1 3.36Å; D351-I355 PolarHBondContact O-N 3.19Å
352L71.9Confident67.1Low86 Ų86117.5 Ų117.545%0.4560%0.603SS.*Hα-helixtrans-64.5-39.8172.8-70.8170.3000111.5D348 E349 A354 I355 L356D348-L352 HydrophobicContact CB-CD1 4.47Å; D348-L352 WeakPolarHBondContact O-CB 3.29Å; D348-L352 WeakPolarHBondContact O-CG 3.33Å; D348-L352 PolarHBondContact O-N 3.49Å; E349-L352 PolarHBondContact O-N 3.48Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3Å; L352-I355 PolarHBondContact O-N 3.07Å; L352-L356 VanDerWaalsContact O-CB 3.31Å; L352-L356 WeakPolarHBondContact O-CB 3.23Å; L352-L356 WeakPolarHBondContact O-CD1 3.44Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 2.92Å
353E73.7Confident67.8Low135 Ų135119.8 Ų119.863%0.63160%0.603SS**Hα-helixtrans-62.7-37.9173.1-93.2-177.5162.700112.6E349 L356 D357E349-E353 PolarHBondContact O-N 2.78Å; E353-L356 PolarHBondContact O-N 2.77Å; E353-D357 PolarHBondContact O-N 2.79Å
354A73.5Confident67.9Low47 Ų47125 Ų12539%0.38862%0.623SS.*Hα-helixtrans-68.6-36.6174.700000112.7A350 D351 L352 D357A350-A354 PolarHBondContact O-N 2.93Å; D351-A354 PolarHBondContact O-N 3.32Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3Å; A354-D357 PolarHBondContact O-N 3.23Å
355I72.2Confident68.5Low114 Ų114124.9 Ų124.959%0.58562%0.619SS**Hα-helixtrans-72.7-30.5176-66.7162.4000111.5D351 L352 D357D351-I355 WeakPolarHBondContact O-CD1 3.39Å; D351-I355 WeakPolarHBondContact O-CG1 3.36Å; D351-I355 PolarHBondContact O-N 3.19Å; L352-I355 PolarHBondContact O-N 3.07Å; I355-D357 VanDerWaalsContact C-N 3.33Å
356L74.6Confident69.3Low132 Ų132125.3 Ų125.369%0.69162%0.62SS**Hα-helixtrans-73.8-22.4176-80.7158.5000112.9L352 E353 W358L352-L356 VanDerWaalsContact O-CB 3.31Å; L352-L356 WeakPolarHBondContact O-CB 3.23Å; L352-L356 WeakPolarHBondContact O-CD1 3.44Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 2.92Å; E353-L356 PolarHBondContact O-N 2.77Å; L356-W358 VanDerWaalsContact C-N 3.33Å; L356-W358 PolarHBondContact O-N 2.86Å; L356-W358 VanDerWaalsContact O-N 3.12Å
357D79.1Confident69.8Low81 Ų81123.2 Ų123.243%0.43361%0.612SS.*  trans-85.374.2172-165.69.6000111.5E353 A354 I355 R359 S360E353-D357 PolarHBondContact O-N 2.79Å; A354-D357 PolarHBondContact O-N 3.23Å; I355-D357 VanDerWaalsContact C-N 3.33Å; D357-R359 PolarHBondContact O-N 3.3Å; D357-R359 WeakPolarHBondContact OD1-CB 3.46Å; D357-R359 PolarHBondContact OD1-N 3.23Å; D357-S360 VanDerWaalsContact O-CB 3.27Å; D357-S360 WeakPolarHBondContact O-CB 3.28Å; D357-S360 PolarHBondContact O-N 3.4Å; D357-S360 PolarHBondContact O-OG 3.46Å; D357-S360 PolarHBondContact OD1-N 3.3Å
358W74.5Confident70.6Confident206 Ų206125.2 Ų125.278%0.7861%0.611SS**THydrogen-bonded Turntrans-61.4-5.9172.967.8-77.4000114.3L356L356-W358 VanDerWaalsContact C-N 3.33Å; L356-W358 PolarHBondContact O-N 2.86Å; L356-W358 VanDerWaalsContact O-N 3.12Å
359R75.6Confident71.2Confident185 Ų185127.8 Ų127.870%0.69862%0.621SS**THydrogen-bonded Turntrans-97.3-5.6171.1-79.2-174.4134.581.50.2113.4D357 K361D357-R359 PolarHBondContact O-N 3.3Å; D357-R359 WeakPolarHBondContact OD1-CB 3.46Å; D357-R359 PolarHBondContact OD1-N 3.23Å; R359-K361 PolarHBondContact O-N 3.08Å
360S75.1Confident71.5Confident38 Ų38128.3 Ų128.327%0.26663%0.625SS.*  trans-64.8134.2171.668.70000109.4D357 E362D357-S360 VanDerWaalsContact O-CB 3.27Å; D357-S360 WeakPolarHBondContact O-CB 3.28Å; D357-S360 PolarHBondContact O-N 3.4Å; D357-S360 PolarHBondContact O-OG 3.46Å; D357-S360 PolarHBondContact OD1-N 3.3Å; S360-E362 PolarHBondContact O-N 2.91Å
361K74.2Confident71.8Confident166 Ų166132.4 Ų132.472%0.72263%0.629SS**G310 helixtrans-83.714.3-172.3-158.8-174.2166.5-1750112.5R359 Y363 L364R359-K361 PolarHBondContact O-N 3.08Å; K361-Y363 PolarHBondContact O-N 3.14Å; K361-L364 HydrophobicContact CG-CB 4.39Å
362E69.6Low71.9Confident164 Ų164134.1 Ų134.177%0.76663%0.631SS**G310 helixtrans-72.6-10.7-176.9-77.9-151.3146.700113.8S360S360-E362 PolarHBondContact O-N 2.91Å
363Y65.4Low71.9Confident184 Ų184138.1 Ų138.172%0.72265%0.646SS**G310 helixtrans-114.815.1-177.7-56.7-77.4000114.9K361K361-Y363 PolarHBondContact O-N 3.14Å
364L54.9Low71.7Confident205 Ų205138.4 Ų138.4100%1.07365%0.648SS**  trans-124.30177-103.8156.1000110.7K361K361-L364 HydrophobicContact CG-CB 4.39Å

Retrieved 364 of 364 residues in 561.3 ms (Link to these results)