A0A077ZDX4_TRITR Loading...

protein-histidine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZDX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 471 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
1M85Confident92.1Very high150 Ų15067.2 Ų67.274%0.73937%0.367SS*.  0-63.30-162.3-167.1-38.300111A3 V4 V5 V224M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 2.92Å; M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 WeakPolarHBondContact O-CB 3.5Å; M1-V4 PolarHBondContact O-N 3Å; M1-V5 HydrophobicContact CG-CG2 4.45Å; M1-V5 WeakPolarHBondContact O-CG2 3.32Å; M1-V5 PolarHBondContact O-N 2.91Å; M1-V224 HydrophobicContact CG-CG2 4.15Å; M1-V224 HydrophobicContact SD-CG2 3.83Å
2A86.9Confident92.4Very high80 Ų8061.6 Ų61.666%0.66134%0.336SS*.Hα-helixtrans-49.6-47.8-179.800000113.6V4 V5 E6A2-V4 VanDerWaalsContact C-N 3.31Å; A2-V4 PolarHBondContact O-N 3.15Å; A2-V5 PolarHBondContact O-N 3.31Å; A2-V5 VanDerWaalsContact O-N 3.15Å; A2-E6 PolarHBondContact O-N 3.08Å
3A92.1Very high92.5Very high58 Ų5859.8 Ų59.848%0.47933%0.331SS..Hα-helixtrans-59.9-36.5176.300000114.1M1 Q7M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 2.92Å; A3-Q7 VanDerWaalsContact O-CG 3.32Å; A3-Q7 WeakPolarHBondContact O-CG 3.4Å; A3-Q7 PolarHBondContact O-N 3.23Å; A3-Q7 VanDerWaalsContact O-N 3.08Å
4V92.6Very high92.5Very high33 Ų3365.1 Ų65.120%0.234%0.344CS..Hα-helixtrans-68.1-45175.7171.70000109.9M1 A2 E6 Q7 V8 L47 F51M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 WeakPolarHBondContact O-CB 3.5Å; M1-V4 PolarHBondContact O-N 3Å; A2-V4 VanDerWaalsContact C-N 3.31Å; A2-V4 PolarHBondContact O-N 3.15Å; V4-E6 VanDerWaalsContact C-N 3.34Å; V4-E6 PolarHBondContact O-N 3.03Å; V4-Q7 PolarHBondContact O-N 2.69Å; V4-V8 HydrophobicContact CG1-CG2 4.24Å; V4-V8 WeakPolarHBondContact O-CB 3.3Å; V4-V8 VanDerWaalsContact O-CG2 3.26Å; V4-V8 WeakPolarHBondContact O-CG2 3.31Å; V4-V8 PolarHBondContact O-N 3.35Å; V4-L47 HydrophobicContact CG1-CB 4.25Å; V4-L47 WeakPolarHBondContact CG1-O 3.5Å; V4-F51 HydrophobicContact CB-CZ 4.27Å; V4-F51 HydrophobicContact CG1-CE2 3.91Å; V4-F51 HydrophobicContact CG1-CZ 3.73Å
5V90.2Very high92.7Very high26 Ų2660.8 Ų60.816%0.15832%0.321CS..Hα-helixtrans-60.7-44178.4177.20000111.1M1 A2 V8 H9 P223M1-V5 HydrophobicContact CG-CG2 4.45Å; M1-V5 WeakPolarHBondContact O-CG2 3.32Å; M1-V5 PolarHBondContact O-N 2.91Å; A2-V5 PolarHBondContact O-N 3.31Å; A2-V5 VanDerWaalsContact O-N 3.15Å; V5-V8 PolarHBondContact O-N 3.45Å; V5-H9 WeakPolarHBondContact O-CB 3.39Å; V5-H9 PolarHBondContact O-N 2.89Å; V5-P223 HydrophobicContact CG1-CB 4.31Å; V5-P223 HydrophobicContact CG1-CG 4.24Å; V5-P223 HydrophobicContact CG2-CB 3.48Å; V5-P223 VanDerWaalsContact CG2-CB 3.48Å; V5-P223 HydrophobicContact CG2-CG 3.92Å
6E91.8Very high92.6Very high108 Ų10859.4 Ų59.451%0.50532%0.321SS..Hα-helixtrans-62.9-44.1177.3-168.1-164.915200112.1A2 V4 H9 K10A2-E6 PolarHBondContact O-N 3.08Å; V4-E6 VanDerWaalsContact C-N 3.34Å; V4-E6 PolarHBondContact O-N 3.03Å; E6-H9 PolarHBondContact O-N 3.19Å; E6-K10 WeakPolarHBondContact O-CG 3.46Å; E6-K10 PolarHBondContact O-N 3.2Å; E6-K10 VanDerWaalsContact OE1-CE 3.31Å; E6-K10 WeakPolarHBondContact OE1-CE 3.49Å; E6-K10 IonicContact OE1-NZ 2.69Å; E6-K10 PolarHBondContact OE1-NZ 3.07Å
7Q95.3Very high92.6Very high91 Ų9163.5 Ų63.543%0.42534%0.339SS..Hα-helixtrans-66.4-43.2177.8-72.9-179.818.400112A3 V4 H9 K10 L11 L47A3-Q7 VanDerWaalsContact O-CG 3.32Å; A3-Q7 WeakPolarHBondContact O-CG 3.4Å; A3-Q7 PolarHBondContact O-N 3.23Å; A3-Q7 VanDerWaalsContact O-N 3.08Å; V4-Q7 PolarHBondContact O-N 2.69Å; Q7-H9 VanDerWaalsContact C-N 3.3Å; Q7-H9 PolarHBondContact O-N 3.04Å; Q7-K10 PolarHBondContact O-N 3.18Å; Q7-L11 WeakPolarHBondContact O-CG 3.48Å; Q7-L11 PolarHBondContact O-N 3.27Å; Q7-L47 HydrophobicContact CB-CD1 3.75Å
8V95.3Very high92.5Very high0 Ų063.3 Ų63.30%034%0.338CS..Hα-helixtrans-61.3-41.6174.9174.70000110.3V4 V5 K10 L11 T12 I44 L47 Q48 Y206V4-V8 HydrophobicContact CG1-CG2 4.24Å; V4-V8 WeakPolarHBondContact O-CB 3.3Å; V4-V8 VanDerWaalsContact O-CG2 3.26Å; V4-V8 WeakPolarHBondContact O-CG2 3.31Å; V4-V8 PolarHBondContact O-N 3.35Å; V5-V8 PolarHBondContact O-N 3.45Å; V8-K10 VanDerWaalsContact C-N 3.35Å; V8-K10 PolarHBondContact O-N 3.06Å; V8-L11 PolarHBondContact O-N 3.06Å; V8-T12 HydrophobicContact CG1-CG2 4.17Å; V8-T12 WeakPolarHBondContact O-CG2 3.26Å; V8-T12 PolarHBondContact O-N 3.35Å; V8-T12 PolarHBondContact O-OG1 3.31Å; V8-T12 VanDerWaalsContact O-OG1 3.14Å; V8-I44 HydrophobicContact CG1-CG2 4.2Å; V8-I44 HydrophobicContact CG2-CG2 4.42Å; V8-L47 HydrophobicContact CG2-CB 4.18Å; V8-L47 HydrophobicContact CG2-CD1 4.12Å; V8-Q48 HydrophobicContact CG2-CG 4.02Å; V8-Y206 HydrophobicContact CB-CE1 4.28Å; V8-Y206 HydrophobicContact CG1-CD1 4.32Å; V8-Y206 HydrophobicContact CG1-CD2 4.22Å; V8-Y206 HydrophobicContact CG1-CE1 3.75Å; V8-Y206 HydrophobicContact CG1-CE2 3.64Å
9H92.8Very high92.5Very high56 Ų5660.3 Ų60.326%0.25932%0.322SS..Hα-helixtrans-60.6-40.4176.1-176.159.6000112.9V5 E6 Q7 T12 S13 Y206 N207 T211V5-H9 WeakPolarHBondContact O-CB 3.39Å; V5-H9 PolarHBondContact O-N 2.89Å; E6-H9 PolarHBondContact O-N 3.19Å; Q7-H9 VanDerWaalsContact C-N 3.3Å; Q7-H9 PolarHBondContact O-N 3.04Å; H9-T12 WeakPolarHBondContact CA-OG1 3.43Å; H9-T12 PolarHBondContact O-OG1 3.44Å; H9-S13 WeakPolarHBondContact O-CB 3.37Å; H9-S13 PolarHBondContact O-N 2.89Å; H9-S13 PolarHBondContact O-OG 2.88Å; H9-Y206 HydrophobicContact CB-CE1 4.25Å; H9-N207 PolarHBondContact CE1-OD1 3.06Å; H9-N207 VanDerWaalsContact CE1-OD1 3.29Å; H9-N207 PolarHBondContact ND1-OD1 3.33Å; H9-T211 VanDerWaalsContact CE1-CG2 3.49Å; H9-T211 WeakPolarHBondContact CE1-CG2 3.25Å
10K94.6Very high92.3Very high124 Ų12460.6 Ų60.654%0.53934%0.34SS..Hα-helixtrans-62.2-44.3174.3-72.1173.5-173.5168.10111.5E6 Q7 V8 R14E6-K10 WeakPolarHBondContact O-CG 3.46Å; E6-K10 PolarHBondContact O-N 3.2Å; E6-K10 VanDerWaalsContact OE1-CE 3.31Å; E6-K10 WeakPolarHBondContact OE1-CE 3.49Å; E6-K10 IonicContact OE1-NZ 2.69Å; E6-K10 PolarHBondContact OE1-NZ 3.07Å; Q7-K10 PolarHBondContact O-N 3.18Å; V8-K10 VanDerWaalsContact C-N 3.35Å; V8-K10 PolarHBondContact O-N 3.06Å; K10-R14 PolarHBondContact O-N 2.86Å
11L96.8Very high92.1Very high13 Ų1366 Ų667%0.06836%0.355CS..Hα-helixtrans-67.8-41.5179-67.8171.7000112.3Q7 V8 R14 M15 I40 E43 I44 L47Q7-L11 WeakPolarHBondContact O-CG 3.48Å; Q7-L11 PolarHBondContact O-N 3.27Å; V8-L11 PolarHBondContact O-N 3.06Å; L11-R14 PolarHBondContact O-N 3.17Å; L11-M15 WeakPolarHBondContact O-CB 3.48Å; L11-M15 PolarHBondContact O-N 3.32Å; L11-I40 HydrophobicContact CB-CG2 4.4Å; L11-I40 HydrophobicContact CD2-CG2 4.43Å; L11-E43 HydrophobicContact CD1-CB 4.18Å; L11-E43 HydrophobicContact CD1-CG 3.82Å; L11-I44 HydrophobicContact CB-CD1 4.01Å; L11-I44 HydrophobicContact CB-CG1 3.8Å; L11-I44 HydrophobicContact CD1-CG1 3.69Å; L11-I44 HydrophobicContact CG-CG1 4.39Å; L11-L47 HydrophobicContact CD1-CD1 3.68Å
12T95.2Very high92.2Very high0 Ų065.2 Ų65.20%036%0.359CS..Hα-helixtrans-65.8-39176.2530000112.2V8 H9 M15 A16 I44 Y202 S203 Y206 N207V8-T12 HydrophobicContact CG1-CG2 4.17Å; V8-T12 WeakPolarHBondContact O-CG2 3.26Å; V8-T12 PolarHBondContact O-N 3.35Å; V8-T12 PolarHBondContact O-OG1 3.31Å; V8-T12 VanDerWaalsContact O-OG1 3.14Å; H9-T12 WeakPolarHBondContact CA-OG1 3.43Å; H9-T12 PolarHBondContact O-OG1 3.44Å; T12-M15 PolarHBondContact O-N 3.35Å; T12-A16 WeakPolarHBondContact O-CB 3.43Å; T12-A16 PolarHBondContact O-N 3Å; T12-I44 HydrophobicContact CG2-CD1 4.37Å; T12-Y202 HydrophobicContact CG2-CD1 3.8Å; T12-Y202 HydrophobicContact CG2-CE1 3.46Å; T12-Y202 VanDerWaalsContact CG2-CE1 3.46Å; T12-S203 WeakPolarHBondContact O-CB 3.5Å; T12-S203 PolarHBondContact O-OG 2.79Å; T12-Y206 HydrophobicContact CG2-CD1 4.16Å; T12-Y206 HydrophobicContact CG2-CG 4.13Å; T12-N207 PolarHBondContact OG1-OD1 2.89Å
13S93.3Very high92Very high39 Ų3964.4 Ų64.427%0.27335%0.347SS..Hα-helixtrans-64.2-41.6173.4-73.40000112.4H9 A16 M17 N207H9-S13 WeakPolarHBondContact O-CB 3.37Å; H9-S13 PolarHBondContact O-N 2.89Å; H9-S13 PolarHBondContact O-OG 2.88Å; S13-A16 PolarHBondContact O-N 3.07Å; S13-M17 WeakPolarHBondContact O-CG 3.25Å; S13-M17 PolarHBondContact O-N 3.48Å; S13-M17 VanDerWaalsContact O-N 3.13Å; S13-N207 PolarHBondContact OG-ND2 3.17Å
14R93.4Very high91.8Very high134 Ų13462.9 Ų62.951%0.50633%0.332SS..Hα-helixtrans-60.6-49.8173.1-179.1180175.7-175.3-0.7111.5K10 L11 A16 M17 D18K10-R14 PolarHBondContact O-N 2.86Å; L11-R14 PolarHBondContact O-N 3.17Å; R14-A16 VanDerWaalsContact C-N 3.3Å; R14-A16 PolarHBondContact O-N 3.43Å; R14-M17 PolarHBondContact O-N 3.27Å; R14-M17 VanDerWaalsContact O-N 3.16Å; R14-D18 PolarHBondContact O-N 2.95Å
15M94.7Very high91.4Very high0 Ų067.4 Ų67.40%037%0.366CS..Hα-helixtrans-58.7-41.1178.4-176.3158.268.200111.9L11 T12 D18 L19 L37 I40 V41 I44 C199 Y202 S203 F228L11-M15 WeakPolarHBondContact O-CB 3.48Å; L11-M15 PolarHBondContact O-N 3.32Å; T12-M15 PolarHBondContact O-N 3.35Å; M15-D18 PolarHBondContact O-N 3.09Å; M15-L19 HydrophobicContact CG-CD1 3.6Å; M15-L19 HydrophobicContact CG-CG 4.3Å; M15-L19 VanDerWaalsContact O-CB 3.27Å; M15-L19 WeakPolarHBondContact O-CB 3.37Å; M15-L19 WeakPolarHBondContact O-CG 3.41Å; M15-L19 PolarHBondContact O-N 3.37Å; M15-L37 HydrophobicContact CG-CD1 3.68Å; M15-L37 HydrophobicContact SD-CD1 3.59Å; M15-L37 VanDerWaalsContact SD-CD1 3.59Å; M15-I40 HydrophobicContact CB-CG2 4.41Å; M15-I40 HydrophobicContact SD-CG2 4.35Å; M15-V41 HydrophobicContact SD-CG2 4.3Å; M15-I44 HydrophobicContact CE-CD1 4.02Å; M15-C199 HydrophobicContact CE-CB 4.07Å; M15-C199 HydrophobicContact CG-CB 4.2Å; M15-C199 HydrophobicContact SD-CB 3.56Å; M15-C199 VanDerWaalsContact SD-CB 3.56Å; M15-Y202 HydrophobicContact CE-CD1 4.15Å; M15-S203 WeakPolarHBondContact CE-OG 3.4Å; M15-F228 HydrophobicContact CE-CE2 4.45Å
16A92Very high91.5Very high39 Ų3968.2 Ų68.232%0.32237%0.372SS..Hα-helixtrans-62.4-41.7176.100000112.8T12 S13 R14 G20T12-A16 WeakPolarHBondContact O-CB 3.43Å; T12-A16 PolarHBondContact O-N 3Å; S13-A16 PolarHBondContact O-N 3.07Å; R14-A16 VanDerWaalsContact C-N 3.3Å; R14-A16 PolarHBondContact O-N 3.43Å; A16-G20 PolarHBondContact O-N 3.07Å; A16-G20 VanDerWaalsContact O-N 3.1Å
17M91.5Very high91.5Very high128 Ų12866.1 Ų66.163%0.63136%0.364SS*.Hα-helixtrans-64.6-45.3176.2-71-172.5-67.900112S13 R14 G20S13-M17 WeakPolarHBondContact O-CG 3.25Å; S13-M17 PolarHBondContact O-N 3.48Å; S13-M17 VanDerWaalsContact O-N 3.13Å; R14-M17 PolarHBondContact O-N 3.27Å; R14-M17 VanDerWaalsContact O-N 3.16Å; M17-G20 PolarHBondContact O-N 3Å
18D91.3Very high91.5Very high60 Ų6066.5 Ų66.532%0.32137%0.369SS..Hα-helixtrans-65.8-40.5-179.5-70.5-22.8000111.2R14 M15 G20 R21R14-D18 PolarHBondContact O-N 2.95Å; M15-D18 PolarHBondContact O-N 3.09Å; D18-G20 VanDerWaalsContact C-N 3.29Å; D18-G20 PolarHBondContact O-N 3.22Å; D18-R21 PolarHBondContact O-N 2.68Å; D18-R21 IonicContact OD1-CZ 3.57Å; D18-R21 IonicContact OD1-NH2 2.98Å
19L92.7Very high91.5Very high6 Ų671.6 Ų71.63%0.03139%0.393CS..Hα-helixtrans-75.5-11.9178.4-69.8172.4000114.8M15 R21 L37 R196 C199 R200M15-L19 HydrophobicContact CG-CD1 3.6Å; M15-L19 HydrophobicContact CG-CG 4.3Å; M15-L19 VanDerWaalsContact O-CB 3.27Å; M15-L19 WeakPolarHBondContact O-CB 3.37Å; M15-L19 WeakPolarHBondContact O-CG 3.41Å; M15-L19 PolarHBondContact O-N 3.37Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-L37 HydrophobicContact CD1-CD1 4.34Å; L19-L37 HydrophobicContact CD2-CD1 4.34Å; L19-L37 HydrophobicContact CD2-CD2 3.88Å; L19-L37 HydrophobicContact CG-CD1 4.43Å; L19-R196 HydrophobicContact CD2-CB 3.89Å; L19-R196 HydrophobicContact CD2-CG 3.74Å; L19-C199 HydrophobicContact CD1-CB 3.62Å; L19-R200 HydrophobicContact CD1-CB 4.02Å; L19-R200 PolarHBondContact O-NH2 2.98Å
20G89.4Confident91.6Very high66 Ų6671.9 Ų71.968%0.6839%0.392SS*.THydrogen-bonded Turntrans-79.8-13.2174.400000113.5A16 M17 D18A16-G20 PolarHBondContact O-N 3.07Å; A16-G20 VanDerWaalsContact O-N 3.1Å; M17-G20 PolarHBondContact O-N 3Å; D18-G20 VanDerWaalsContact C-N 3.29Å; D18-G20 PolarHBondContact O-N 3.22Å
21R88.1Confident91.7Very high174 Ų17466.7 Ų66.766%0.65737%0.369SS*.SBendtrans-79.9150.2176.8-59.2178.4-173.9170.15.2110.8D18 L19 P23D18-R21 PolarHBondContact O-N 2.68Å; D18-R21 IonicContact OD1-CZ 3.57Å; D18-R21 IonicContact OD1-NH2 2.98Å; L19-R21 VanDerWaalsContact C-N 3.32Å; R21-P23 WeakPolarHBondContact O-CD 3.26Å
22T85.7Confident91.6Very high135 Ų13567.7 Ų67.783%0.82838%0.38SS*.PPolyproline II helixtrans-61.9126.3171.3-54.10000109.3
23P82.3Confident91.6Very high62 Ų6270.3 Ų70.340%0.40339%0.393SS..PPolyproline II helixtrans-60.1145.4176.7-21.932.1000111.1R21R21-P23 WeakPolarHBondContact O-CD 3.26Å
24P87.9Confident91.7Very high26 Ų2668.5 Ų68.517%0.16938%0.381CS..PPolyproline II helixtrans-62.6151175.424-31000111.3E29 R30 D33P24-E29 HydrophobicContact CB-CB 3.61Å; P24-E29 WeakPolarHBondContact CB-OE2 3.49Å; P24-E29 HydrophobicContact CG-CB 3.59Å; P24-R30 HydrophobicContact CG-CG 3.85Å; P24-R30 VanDerWaalsContact O-CD 3.28Å; P24-R30 WeakPolarHBondContact O-CD 3.49Å; P24-R30 WeakPolarHBondContact O-CG 3.03Å; P24-D33 WeakPolarHBondContact CD-OD2 3.2Å
25S84.3Confident91.8Very high129 Ų12964.5 Ų64.590%0.90237%0.368SS*.SBendtrans-78.6-25.917656.90000112.5
26S92.4Very high91.8Very high43 Ų4370.1 Ų70.130%0.30139%0.392SS..SBendtrans-71128.9178.9172.90000111.6N28 E29 R30S26-N28 VanDerWaalsContact C-N 3.25Å; S26-N28 PolarHBondContact O-N 3.11Å; S26-N28 PolarHBondContact OG-N 3.16Å; S26-E29 WeakPolarHBondContact CB-OE2 3.38Å; S26-E29 PolarHBondContact O-N 2.84Å; S26-R30 WeakPolarHBondContact O-CG 3.35Å; S26-R30 PolarHBondContact O-N 2.71Å
27L93.5Very high92Very high63 Ų6368.7 Ų68.733%0.3338%0.379SS..Hα-helixtrans-58.7-37.2175.4179.261.6000112.3F31 K183 H184 F188L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 PolarHBondContact O-N 3.08Å; L27-K183 HydrophobicContact CD2-CG 4.47Å; L27-K183 HydrophobicContact CG-CG 4.49Å; L27-H184 WeakPolarHBondContact CD2-ND1 3.23Å; L27-F188 HydrophobicContact CD1-CD1 3.4Å; L27-F188 VanDerWaalsContact CD1-CD1 3.4Å; L27-F188 HydrophobicContact CD1-CE1 3.45Å; L27-F188 VanDerWaalsContact CD1-CE1 3.45Å; L27-F188 HydrophobicContact CD1-CG 4.34Å; L27-F188 HydrophobicContact CD1-CZ 4.41Å
28N94.8Very high92.2Very high99 Ų9964.2 Ų64.253%0.52936%0.357SS..Hα-helixtrans-69.3-40.1179.9-73.3-31.1000111.9S26 F31 A32 K183S26-N28 VanDerWaalsContact C-N 3.25Å; S26-N28 PolarHBondContact O-N 3.11Å; S26-N28 PolarHBondContact OG-N 3.16Å; N28-F31 PolarHBondContact O-N 3.24Å; N28-A32 PolarHBondContact O-N 3Å; N28-K183 VanDerWaalsContact OD1-CE 3.3Å; N28-K183 WeakPolarHBondContact OD1-CE 3.19Å; N28-K183 PolarHBondContact OD1-NZ 3.13Å
29E95.5Very high92.3Very high108 Ų10867.6 Ų67.651%0.50537%0.371SS..Hα-helixtrans-69.3-42.4176.6-65.2175.316600110.7P24 S26 F31 A32 D33P24-E29 HydrophobicContact CB-CB 3.61Å; P24-E29 WeakPolarHBondContact CB-OE2 3.49Å; P24-E29 HydrophobicContact CG-CB 3.59Å; S26-E29 WeakPolarHBondContact CB-OE2 3.38Å; S26-E29 PolarHBondContact O-N 2.84Å; E29-F31 VanDerWaalsContact C-N 3.28Å; E29-F31 PolarHBondContact O-N 3.39Å; E29-A32 PolarHBondContact O-N 3.04Å; E29-D33 WeakPolarHBondContact O-CB 3.36Å; E29-D33 PolarHBondContact O-N 3.29Å
30R95Very high92.5Very high62 Ų6267.8 Ų67.823%0.23437%0.372CS..Hα-helixtrans-58.7-41.3174-74.8-169.369.9-174.37.1112.2P24 S26 D33 L34 F188 D192 R196P24-R30 HydrophobicContact CG-CG 3.85Å; P24-R30 VanDerWaalsContact O-CD 3.28Å; P24-R30 WeakPolarHBondContact O-CD 3.49Å; P24-R30 WeakPolarHBondContact O-CG 3.03Å; S26-R30 WeakPolarHBondContact O-CG 3.35Å; S26-R30 PolarHBondContact O-N 2.71Å; R30-D33 PolarHBondContact O-N 2.91Å; R30-L34 WeakPolarHBondContact O-CB 3.39Å; R30-L34 PolarHBondContact O-N 3.06Å; R30-F188 HydrophobicContact CB-CE1 4.22Å; R30-F188 HydrophobicContact CB-CZ 4.45Å; R30-D192 IonicContact CZ-OD2 3.18Å; R30-D192 IonicContact NE-OD2 3.82Å; R30-D192 PolarHBondContact NE-OD2 2.9Å; R30-D192 IonicContact NH2-OD2 2.73Å; R30-D192 PolarHBondContact NH2-OD2 3.08Å; R30-R196 PolarHBondContact O-NH2 3.38Å
31F96Very high92.8Very high14 Ų1464.9 Ų64.96%0.06134%0.341CS..Hα-helixtrans-62.3-48.9176.3-172.4-92.5000111.6L27 N28 E29 D33 L34 Q35 L179 L180 K183 F188L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 PolarHBondContact O-N 3.08Å; N28-F31 PolarHBondContact O-N 3.24Å; E29-F31 VanDerWaalsContact C-N 3.28Å; E29-F31 PolarHBondContact O-N 3.39Å; F31-D33 VanDerWaalsContact C-N 3.32Å; F31-D33 PolarHBondContact O-N 2.94Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 3.45Å; F31-Q35 HydrophobicContact CD1-CG 4.32Å; F31-Q35 HydrophobicContact CE1-CG 4.04Å; F31-Q35 WeakPolarHBondContact O-CG 3.42Å; F31-Q35 PolarHBondContact O-N 3.13Å; F31-L179 HydrophobicContact CE2-CB 4.04Å; F31-L179 WeakPolarHBondContact CE2-O 3.36Å; F31-L179 HydrophobicContact CZ-CB 4.23Å; F31-L180 HydrophobicContact CZ-CB 4.45Å; F31-L180 HydrophobicContact CZ-CD1 4.46Å; F31-K183 HydrophobicContact CB-CD 4.42Å; F31-K183 HydrophobicContact CD1-CD 4.41Å; F31-K183 HydrophobicContact CD2-CB 4.11Å; F31-K183 HydrophobicContact CD2-CD 3.71Å; F31-K183 HydrophobicContact CD2-CG 3.73Å; F31-K183 HydrophobicContact CE2-CB 4.07Å; F31-K183 HydrophobicContact CE2-CD 4.05Å; F31-K183 HydrophobicContact CE2-CG 4.16Å; F31-K183 HydrophobicContact CG-CD 3.92Å; F31-K183 HydrophobicContact CG-CG 4.33Å; F31-F188 HydrophobicContact CB-CE2 4.4Å; F31-F188 HydrophobicContact CB-CZ 4.08Å; F31-F188 HydrophobicContact CD2-CD2 4.23Å; F31-F188 AromaticContact CD2-CE2 3.51Å; F31-F188 HydrophobicContact CD2-CE2 3.51Å; F31-F188 HydrophobicContact CD2-CZ 4.05Å; F31-F188 HydrophobicContact CE2-CE2 4.26Å; F31-F188 HydrophobicContact CG-CE2 4.41Å
32A95.4Very high93.2Very high35 Ų3559.3 Ų59.329%0.28933%0.333SS..Hα-helixtrans-62.2-39.2177.700000112.4N28 E29 Q35 K36N28-A32 PolarHBondContact O-N 3Å; E29-A32 PolarHBondContact O-N 3.04Å; A32-Q35 PolarHBondContact O-N 2.99Å; A32-K36 WeakPolarHBondContact O-CG 3.48Å; A32-K36 PolarHBondContact O-N 3.49Å; A32-K36 VanDerWaalsContact O-N 3.13Å
33D94.8Very high93.8Very high54 Ų5457.5 Ų57.529%0.28932%0.315SS..Hα-helixtrans-67.7-36.4176.3-78-4.6000112.3P24 E29 R30 F31 K36 L37P24-D33 WeakPolarHBondContact CD-OD2 3.2Å; E29-D33 WeakPolarHBondContact O-CB 3.36Å; E29-D33 PolarHBondContact O-N 3.29Å; R30-D33 PolarHBondContact O-N 2.91Å; F31-D33 VanDerWaalsContact C-N 3.32Å; F31-D33 PolarHBondContact O-N 2.94Å; D33-K36 IonicContact OD1-NZ 3.63Å; D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 3.26Å
34L95.4Very high94.5Very high1 Ų154.5 Ų54.51%0.00530%0.295CS..Hα-helixtrans-63.7-43.1173.8-179.960.8000111R30 F31 L37 L38 L179 F188 V191 D192 V195R30-L34 WeakPolarHBondContact O-CB 3.39Å; R30-L34 PolarHBondContact O-N 3.06Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 3.45Å; L34-L37 WeakPolarHBondContact O-CB 3.31Å; L34-L37 PolarHBondContact O-N 3.03Å; L34-L38 HydrophobicContact CD1-CD1 4.4Å; L34-L38 HydrophobicContact CD1-CG 4.36Å; L34-L38 HydrophobicContact CG-CD1 4.18Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 3.42Å; L34-L179 HydrophobicContact CD2-CD2 4.38Å; L34-F188 HydrophobicContact CD2-CE2 3.76Å; L34-F188 HydrophobicContact CD2-CZ 4.27Å; L34-V191 HydrophobicContact CD2-CG1 4.29Å; L34-D192 HydrophobicContact CD2-CB 4.29Å; L34-V195 HydrophobicContact CD1-CB 3.88Å; L34-V195 HydrophobicContact CD1-CG1 3.69Å; L34-V195 HydrophobicContact CD1-CG2 4.32Å
35Q95.1Very high94.9Very high50 Ų5055 Ų5523%0.23430%0.297CS..Hα-helixtrans-59.6-48.9177.3-69.7-178.6-75.300111.5F31 A32 L37 L38 E39 E176F31-Q35 HydrophobicContact CD1-CG 4.32Å; F31-Q35 HydrophobicContact CE1-CG 4.04Å; F31-Q35 WeakPolarHBondContact O-CG 3.42Å; F31-Q35 PolarHBondContact O-N 3.13Å; A32-Q35 PolarHBondContact O-N 2.99Å; Q35-L37 VanDerWaalsContact C-N 3.27Å; Q35-L37 PolarHBondContact O-N 3.23Å; Q35-L38 PolarHBondContact O-N 3.43Å; Q35-L38 VanDerWaalsContact O-N 3.1Å; Q35-E39 WeakPolarHBondContact O-CG 3.44Å; Q35-E39 PolarHBondContact O-N 3.14Å; Q35-E176 PolarHBondContact NE2-OE1 3.37Å
36K94.2Very high95.5Very high119 Ų11956.7 Ų56.752%0.51729%0.288SS..Hα-helixtrans-58.8-38.1175.9-68.3171.1-171.61660112.7A32 D33 E39 I40A32-K36 WeakPolarHBondContact O-CG 3.48Å; A32-K36 PolarHBondContact O-N 3.49Å; A32-K36 VanDerWaalsContact O-N 3.13Å; D33-K36 IonicContact OD1-NZ 3.63Å; K36-E39 WeakPolarHBondContact O-CB 3.3Å; K36-E39 PolarHBondContact O-N 3.06Å; K36-I40 PolarHBondContact O-N 3.19Å
37L95.9Very high95.8Very high9 Ų956.5 Ų56.55%0.04728%0.283CS..Hα-helixtrans-65.3-42.1176.6-179.561000111.5M15 L19 D33 L34 Q35 E39 I40 V41 V195 R196 C199M15-L37 HydrophobicContact CG-CD1 3.68Å; M15-L37 HydrophobicContact SD-CD1 3.59Å; M15-L37 VanDerWaalsContact SD-CD1 3.59Å; L19-L37 HydrophobicContact CD1-CD1 4.34Å; L19-L37 HydrophobicContact CD2-CD1 4.34Å; L19-L37 HydrophobicContact CD2-CD2 3.88Å; L19-L37 HydrophobicContact CG-CD1 4.43Å; D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 3.26Å; L34-L37 WeakPolarHBondContact O-CB 3.31Å; L34-L37 PolarHBondContact O-N 3.03Å; Q35-L37 VanDerWaalsContact C-N 3.27Å; Q35-L37 PolarHBondContact O-N 3.23Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.84Å; L37-I40 PolarHBondContact O-N 3.44Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 2.93Å; L37-V41 VanDerWaalsContact O-N 3.07Å; L37-V195 HydrophobicContact CD2-CG1 3.92Å; L37-V195 HydrophobicContact CG-CG1 4.43Å; L37-R196 HydrophobicContact CD2-CG 3.78Å; L37-C199 HydrophobicContact CD1-CB 4.16Å; L37-C199 HydrophobicContact CD2-CB 4.35Å
38L95.7Very high95.9Very high33 Ų3353.8 Ų53.817%0.17327%0.269CS..Hα-helixtrans-67.1-31177-69172.5000112.4L34 Q35 V41 A42 F172 L179 V195L34-L38 HydrophobicContact CD1-CD1 4.4Å; L34-L38 HydrophobicContact CD1-CG 4.36Å; L34-L38 HydrophobicContact CG-CD1 4.18Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 3.42Å; Q35-L38 PolarHBondContact O-N 3.43Å; Q35-L38 VanDerWaalsContact O-N 3.1Å; L38-V41 PolarHBondContact O-N 3.16Å; L38-A42 WeakPolarHBondContact O-CB 3.39Å; L38-A42 PolarHBondContact O-N 3.19Å; L38-F172 HydrophobicContact CD2-CD1 4.18Å; L38-F172 HydrophobicContact CD2-CE1 4.5Å; L38-L179 HydrophobicContact CD1-CD1 3.48Å; L38-L179 VanDerWaalsContact CD1-CD1 3.48Å; L38-V195 HydrophobicContact CD2-CG1 3.92Å
39E95.1Very high96Very high131 Ų13154.3 Ų54.361%0.61227%0.27SS*.Hα-helixtrans-62.5-45.8171.3-70.3169-174.200111.9Q35 K36 L37 V41 A42 E43Q35-E39 WeakPolarHBondContact O-CG 3.44Å; Q35-E39 PolarHBondContact O-N 3.14Å; K36-E39 WeakPolarHBondContact O-CB 3.3Å; K36-E39 PolarHBondContact O-N 3.06Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.84Å; E39-V41 VanDerWaalsContact C-N 3.3Å; E39-V41 PolarHBondContact O-N 3.38Å; E39-A42 PolarHBondContact O-N 3.04Å; E39-E43 PolarHBondContact O-N 3.38Å
40I95.9Very high95.9Very high11 Ų1156.4 Ų56.46%0.05629%0.285CS..Hα-helixtrans-60.9-43175.7-64.6170.2000110.3L11 M15 K36 L37 E43 I44L11-I40 HydrophobicContact CB-CG2 4.4Å; L11-I40 HydrophobicContact CD2-CG2 4.43Å; M15-I40 HydrophobicContact CB-CG2 4.41Å; M15-I40 HydrophobicContact SD-CG2 4.35Å; K36-I40 PolarHBondContact O-N 3.19Å; L37-I40 PolarHBondContact O-N 3.44Å; I40-E43 WeakPolarHBondContact O-CB 3.25Å; I40-E43 PolarHBondContact O-N 3.29Å; I40-I44 HydrophobicContact CG2-CD1 4.26Å; I40-I44 WeakPolarHBondContact O-CG1 3.46Å; I40-I44 PolarHBondContact O-N 2.95Å
41V96.2Very high96Very high5 Ų555 Ų553%0.0328%0.281CS..Hα-helixtrans-60.2-45.1176.3163.50000111.5M15 L37 L38 E39 E43 I44 D45 F172 C199 F228M15-V41 HydrophobicContact SD-CG2 4.3Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 2.93Å; L37-V41 VanDerWaalsContact O-N 3.07Å; L38-V41 PolarHBondContact O-N 3.16Å; E39-V41 VanDerWaalsContact C-N 3.3Å; E39-V41 PolarHBondContact O-N 3.38Å; V41-E43 VanDerWaalsContact C-N 3.28Å; V41-E43 PolarHBondContact O-N 3.09Å; V41-I44 PolarHBondContact O-N 2.92Å; V41-D45 PolarHBondContact O-N 3.38Å; V41-F172 HydrophobicContact CG1-CD1 4.37Å; V41-C199 VanDerWaalsContact CG2-SG 3.56Å; V41-F228 HydrophobicContact CB-CE1 4.13Å; V41-F228 HydrophobicContact CB-CZ 4.5Å; V41-F228 HydrophobicContact CG1-CD1 3.57Å; V41-F228 HydrophobicContact CG1-CE1 3.21Å; V41-F228 HydrophobicContact CG1-CZ 4Å; V41-F228 HydrophobicContact CG2-CD1 4.49Å; V41-F228 HydrophobicContact CG2-CE1 3.82Å; V41-F228 HydrophobicContact CG2-CE2 4.28Å; V41-F228 HydrophobicContact CG2-CZ 3.69Å
42A96Very high95.9Very high57 Ų5757.2 Ų57.247%0.47130%0.296SS..Hα-helixtrans-63.2-34.817800000112.2L38 E39 K46L38-A42 WeakPolarHBondContact O-CB 3.39Å; L38-A42 PolarHBondContact O-N 3.19Å; E39-A42 PolarHBondContact O-N 3.04Å; A42-K46 WeakPolarHBondContact O-CB 3.38Å; A42-K46 PolarHBondContact O-N 3.3Å
43E97.6Very high95.9Very high96 Ų9660.7 Ų60.745%0.44930%0.302SS..Hα-helixtrans-64.8-45.1173.1-167.6-179.6165.800111.6L11 E39 I40 V41 D45 K46 L47L11-E43 HydrophobicContact CD1-CB 4.18Å; L11-E43 HydrophobicContact CD1-CG 3.82Å; E39-E43 PolarHBondContact O-N 3.38Å; I40-E43 WeakPolarHBondContact O-CB 3.25Å; I40-E43 PolarHBondContact O-N 3.29Å; V41-E43 VanDerWaalsContact C-N 3.28Å; V41-E43 PolarHBondContact O-N 3.09Å; E43-D45 PolarHBondContact O-N 3.14Å; E43-K46 PolarHBondContact O-N 2.91Å; E43-L47 WeakPolarHBondContact O-CG 3.35Å; E43-L47 PolarHBondContact O-N 3.47Å; E43-L47 VanDerWaalsContact O-N 3.07Å
44I97.7Very high95.8Very high0 Ų058.5 Ų58.50%029%0.291CS..Hα-helixtrans-59.7-47.2175.3-65.9170.6000110.8V8 L11 T12 M15 I40 V41 K46 L47 Q48 Y202 F228V8-I44 HydrophobicContact CG1-CG2 4.2Å; V8-I44 HydrophobicContact CG2-CG2 4.42Å; L11-I44 HydrophobicContact CB-CD1 4.01Å; L11-I44 HydrophobicContact CB-CG1 3.8Å; L11-I44 HydrophobicContact CD1-CG1 3.69Å; L11-I44 HydrophobicContact CG-CG1 4.39Å; T12-I44 HydrophobicContact CG2-CD1 4.37Å; M15-I44 HydrophobicContact CE-CD1 4.02Å; I40-I44 HydrophobicContact CG2-CD1 4.26Å; I40-I44 WeakPolarHBondContact O-CG1 3.46Å; I40-I44 PolarHBondContact O-N 2.95Å; V41-I44 PolarHBondContact O-N 2.92Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.04Å; I44-L47 WeakPolarHBondContact O-CB 3.45Å; I44-L47 PolarHBondContact O-N 2.92Å; I44-L47 VanDerWaalsContact O-N 3.16Å; I44-Q48 WeakPolarHBondContact O-CG 3.24Å; I44-Q48 PolarHBondContact O-N 3Å; I44-Y202 HydrophobicContact CG2-CE1 4.47Å; I44-F228 HydrophobicContact CG2-CB 3.75Å
45D96.4Very high95.7Very high36 Ų3659.5 Ų59.519%0.19330%0.295CS..Hα-helixtrans-59.4-41.5178.2-80.2-13.6000111.4V41 E43 L47 Q48 I49 R232V41-D45 PolarHBondContact O-N 3.38Å; E43-D45 PolarHBondContact O-N 3.14Å; D45-L47 VanDerWaalsContact C-N 3.34Å; D45-L47 PolarHBondContact O-N 3.39Å; D45-Q48 CarbonylContact O-C 3.46Å; D45-Q48 PolarHBondContact O-N 2.6Å; D45-Q48 VanDerWaalsContact O-N 3.17Å; D45-I49 PolarHBondContact O-N 3.21Å; D45-R232 IonicContact OD1-NH1 3.38Å; D45-R232 IonicContact OD2-CZ 3.74Å; D45-R232 IonicContact OD2-NH1 3.41Å; D45-R232 PolarHBondContact OD2-NH1 3.47Å; D45-R232 IonicContact OD2-NH2 2.81Å; D45-R232 PolarHBondContact OD2-NH2 3.32Å
46K97.6Very high95.4Very high164 Ų16459.5 Ų59.571%0.71330%0.301SS*.Hα-helixtrans-62.5-39.6176.9-174.6179178.6-178.60112.2A42 E43 I44 Q48 I49A42-K46 WeakPolarHBondContact O-CB 3.38Å; A42-K46 PolarHBondContact O-N 3.3Å; E43-K46 PolarHBondContact O-N 2.91Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.04Å; K46-Q48 VanDerWaalsContact C-N 3.28Å; K46-Q48 PolarHBondContact O-N 3.19Å; K46-I49 VanDerWaalsContact O-CG2 3.3Å; K46-I49 WeakPolarHBondContact O-CG2 3.24Å
47L97.7Very high95Very high40 Ų4061.4 Ų61.421%0.20931%0.305CS..Hα-helixtrans-66.8-32176.3-68.3174.6000112.4V4 Q7 V8 L11 E43 I44 D45V4-L47 HydrophobicContact CG1-CB 4.25Å; V4-L47 WeakPolarHBondContact CG1-O 3.5Å; Q7-L47 HydrophobicContact CB-CD1 3.75Å; V8-L47 HydrophobicContact CG2-CB 4.18Å; V8-L47 HydrophobicContact CG2-CD1 4.12Å; L11-L47 HydrophobicContact CD1-CD1 3.68Å; E43-L47 WeakPolarHBondContact O-CG 3.35Å; E43-L47 PolarHBondContact O-N 3.47Å; E43-L47 VanDerWaalsContact O-N 3.07Å; I44-L47 WeakPolarHBondContact O-CB 3.45Å; I44-L47 PolarHBondContact O-N 2.92Å; I44-L47 VanDerWaalsContact O-N 3.16Å; D45-L47 VanDerWaalsContact C-N 3.34Å; D45-L47 PolarHBondContact O-N 3.39Å
48Q96.6Very high94.6Very high6 Ų664.1 Ų64.13%0.02832%0.324CS..Hα-helixtrans-97.34.1-176.9-64.2-179.8-35.600113.6V8 I44 D45 K46 N50 F51 Y202 T227V8-Q48 HydrophobicContact CG2-CG 4.02Å; I44-Q48 WeakPolarHBondContact O-CG 3.24Å; I44-Q48 PolarHBondContact O-N 3Å; D45-Q48 CarbonylContact O-C 3.46Å; D45-Q48 PolarHBondContact O-N 2.6Å; D45-Q48 VanDerWaalsContact O-N 3.17Å; K46-Q48 VanDerWaalsContact C-N 3.28Å; K46-Q48 PolarHBondContact O-N 3.19Å; Q48-N50 PolarHBondContact O-N 3.43Å; Q48-F51 HydrophobicContact CB-CD2 3.93Å; Q48-F51 HydrophobicContact CB-CE2 4.49Å; Q48-F51 HydrophobicContact CG-CD2 3.97Å; Q48-F51 HydrophobicContact CG-CE2 4.11Å; Q48-F51 VanDerWaalsContact O-CB 3.25Å; Q48-F51 WeakPolarHBondContact O-CB 3.42Å; Q48-F51 PolarHBondContact O-N 3.4Å; Q48-Y202 PolarHBondContact NE2-OH 3.2Å; Q48-Y202 VanDerWaalsContact NE2-OH 3.09Å; Q48-T227 HydrophobicContact CB-CG2 4.11Å; Q48-T227 HydrophobicContact CG-CG2 4.4Å; Q48-T227 VanDerWaalsContact OE1-CB 3.28Å
49I95.5Very high94.5Very high109 Ų10964.7 Ų64.756%0.55932%0.324SS*.THydrogen-bonded Turntrans-56.9-28.6-170.8-163.1167.4000115.1D45 K46D45-I49 PolarHBondContact O-N 3.21Å; K46-I49 VanDerWaalsContact O-CG2 3.3Å; K46-I49 WeakPolarHBondContact O-CG2 3.24Å
50N95.2Very high94.5Very high152 Ų15262.4 Ų62.481%0.81331%0.31SS*.THydrogen-bonded Turntrans-91.60.8-179.6-65-44.7000113.1Q48Q48-N50 PolarHBondContact O-N 3.43Å
51F95.5Very high94.5Very high34 Ų3466 Ų6615%0.14933%0.334CS..SBendtrans-83152.7176.1-67.3-9.2000110.7V4 Q48 V224 T227V4-F51 HydrophobicContact CB-CZ 4.27Å; V4-F51 HydrophobicContact CG1-CE2 3.91Å; V4-F51 HydrophobicContact CG1-CZ 3.73Å; Q48-F51 HydrophobicContact CB-CD2 3.93Å; Q48-F51 HydrophobicContact CB-CE2 4.49Å; Q48-F51 HydrophobicContact CG-CD2 3.97Å; Q48-F51 HydrophobicContact CG-CE2 4.11Å; Q48-F51 VanDerWaalsContact O-CB 3.25Å; Q48-F51 WeakPolarHBondContact O-CB 3.42Å; Q48-F51 PolarHBondContact O-N 3.4Å; F51-V224 HydrophobicContact CB-CG1 4.35Å; F51-V224 HydrophobicContact CD1-CG1 4.15Å; F51-V224 HydrophobicContact CE1-CG2 4.25Å; F51-V224 HydrophobicContact CE2-CG2 4.48Å; F51-V224 HydrophobicContact CG-CG1 4.15Å; F51-V224 HydrophobicContact CZ-CG2 4.23Å; F51-T227 HydrophobicContact CB-CG2 3.76Å; F51-T227 HydrophobicContact CD2-CG2 3.72Å; F51-T227 HydrophobicContact CG-CG2 4.27Å
52P94.7Very high94.5Very high60 Ų6067.5 Ų67.539%0.3934%0.342SS..PPolyproline II helixtrans-67.4136.7-175.429.4-36.3000111.3F151 V224 N230P52-F151 HydrophobicContact CB-CE1 4.02Å; P52-F151 HydrophobicContact CG-CE1 3.9Å; P52-V224 VanDerWaalsContact CD-CG1 3.47Å; P52-V224 HydrophobicContact CG-CG1 4.07Å; P52-N230 PolarHBondContact O-ND2 2.86Å
53R94.9Very high94.6Very high107 Ų10765 Ų6540%0.40432%0.321SS..PPolyproline II helixtrans-80.2144.4173.4-70.8-176.4171.4151.6-4.3111.5Y55 E229 N230R53-Y55 VanDerWaalsContact C-N 3.29Å; R53-E229 IonicContact CZ-OE1 3Å; R53-E229 IonicContact CZ-OE2 3.48Å; R53-E229 VanDerWaalsContact NE-CD 3.33Å; R53-E229 IonicContact NE-OE1 3.89Å; R53-E229 PolarHBondContact NE-OE1 3.49Å; R53-E229 IonicContact NE-OE2 2.94Å; R53-E229 PolarHBondContact NE-OE2 2.87Å; R53-E229 IonicContact NH2-OE1 3.34Å; R53-E229 PolarHBondContact NH2-OE1 3.02Å; R53-E229 VanDerWaalsContact NH2-OE1 3.09Å; R53-E229 IonicContact NH2-OE2 3.35Å; R53-N230 WeakPolarHBondContact CA-OD1 3.44Å
54A94.1Very high94.6Very high8 Ų864.2 Ų64.27%0.06632%0.324CS..SBendtrans-76.8-13.5177.600000113.7L147 T150 F151 N230 W233A54-L147 HydrophobicContact CB-CD2 3.99Å; A54-T150 HydrophobicContact CB-CG2 3.8Å; A54-T150 WeakPolarHBondContact O-CG2 3.39Å; A54-F151 HydrophobicContact CB-CE2 4.03Å; A54-F151 HydrophobicContact CB-CZ 4.01Å; A54-N230 HydrophobicContact CB-CB 4.04Å; A54-N230 WeakPolarHBondContact CB-OD1 3.4Å; A54-N230 PolarHBondContact N-OD1 3.43Å; A54-W233 HydrophobicContact CB-CD2 4.33Å; A54-W233 HydrophobicContact CB-CE3 3.52Å; A54-W233 HydrophobicContact CB-CH2 4.29Å; A54-W233 HydrophobicContact CB-CZ3 3.51Å
55Y92.6Very high94.6Very high23 Ų2370 Ų709%0.0935%0.349CS..SBendtrans-131.6161-173.959.6-95.8000112.4R53 A166 D167 E229 W233R53-Y55 VanDerWaalsContact C-N 3.29Å; Y55-A166 HydrophobicContact CD2-CB 3.47Å; Y55-A166 VanDerWaalsContact CD2-CB 3.47Å; Y55-A166 HydrophobicContact CE2-CB 3.53Å; Y55-A166 HydrophobicContact CG-CB 4.34Å; Y55-D167 PolarHBondContact OH-OD1 3.39Å; Y55-E229 HydrophobicContact CE1-CG 4.19Å; Y55-E229 PolarHBondContact OH-OE1 2.93Å; Y55-E229 VanDerWaalsContact OH-OE1 3.06Å; Y55-W233 HydrophobicContact CD1-CB 3.81Å; Y55-W233 AromaticContact CD1-CD1 3.45Å; Y55-W233 VanDerWaalsContact CD1-CD1 3.45Å; Y55-W233 AromaticContact CD1-CD2 3.82Å; Y55-W233 HydrophobicContact CD1-CD2 3.82Å; Y55-W233 AromaticContact CD1-CG 3.39Å; Y55-W233 HydrophobicContact CD1-CG 3.39Å; Y55-W233 AromaticContact CD1-NE1 3.89Å; Y55-W233 HydrophobicContact CE1-CB 3.87Å; Y55-W233 AromaticContact CE1-CG 3.94Å; Y55-W233 HydrophobicContact CE1-CG 3.94Å; Y55-W233 AromaticContact CG-CD1 3.86Å; Y55-W233 HydrophobicContact CG-CD2 4.44Å; Y55-W233 HydrophobicContact CG-CG 4.18Å; Y55-W233 AromaticContact CG-NE1 3.91Å
56S88Confident94.6Very high50 Ų5068.2 Ų68.235%0.3534%0.34SS..  trans-101.7138.6170.4-177.20000110.2S58S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact OG-N 2.7Å; S56-S58 PolarHBondContact OG-O 3.33Å
57R85.4Confident94.6Very high158 Ų15864.9 Ų64.960%0.59633%0.326SS*.SBendtrans-70.9-28170.7-66-170179.5-149.4-2.5112.6E168R57-E168 IonicContact NE-OE1 3.07Å; R57-E168 IonicContact NH1-OE1 2.78Å
58S88.6Confident94.6Very high66 Ų6671.1 Ų71.146%0.46235%0.347SS..  trans-114.1111.5174.4-173.70000109.8S56 P61S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact OG-N 2.7Å; S56-S58 PolarHBondContact OG-O 3.33Å; S58-P61 VanDerWaalsContact OG-CD 3.26Å; S58-P61 WeakPolarHBondContact OG-CD 3.11Å
59R93.5Very high94.7Very high45 Ų4571.8 Ų71.817%0.1735%0.349CS..  trans-107.2-23.6-173.742.8179-162.1140.12.7113.7P61 N62 I90 I163 L164R59-P61 VanDerWaalsContact C-CD 3.45Å; R59-N62 WeakPolarHBondContact O-CB 3.48Å; R59-N62 PolarHBondContact O-N 2.92Å; R59-I90 HydrophobicContact CG-CD1 4.35Å; R59-I163 VanDerWaalsContact CD-O 3.31Å; R59-I163 WeakPolarHBondContact CD-O 3.4Å; R59-I163 PolarHBondContact NH1-O 3.49Å; R59-L164 WeakPolarHBondContact CD-O 3.32Å
60W95.2Very high94.8Very high84 Ų8466.9 Ų66.932%0.31833%0.325SS..G310 helixtrans-54.9-40.9176.3-174.9-109.1000114.2N62 M63 A82 K83 Q84 I90W60-N62 PolarHBondContact O-N 3.01Å; W60-M63 HydrophobicContact CD2-CG 4.25Å; W60-M63 HydrophobicContact CE3-CG 3.66Å; W60-M63 HydrophobicContact CZ3-CG 3.95Å; W60-M63 WeakPolarHBondContact O-CB 3.38Å; W60-M63 WeakPolarHBondContact O-CG 3.33Å; W60-M63 PolarHBondContact O-N 3.38Å; W60-A82 HydrophobicContact CH2-CB 4.42Å; W60-A82 HydrophobicContact CZ3-CB 4.24Å; W60-K83 VanDerWaalsContact CH2-CA 3.49Å; W60-Q84 HydrophobicContact CB-CG 4.11Å; W60-Q84 HydrophobicContact CD2-CG 3.28Å; W60-Q84 HydrophobicContact CE3-CG 3.33Å; W60-Q84 VanDerWaalsContact CG-CD 3.4Å; W60-Q84 HydrophobicContact CG-CG 3.63Å; W60-Q84 HydrophobicContact CH2-CG 4.35Å; W60-Q84 HydrophobicContact CZ2-CG 4.28Å; W60-Q84 HydrophobicContact CZ3-CG 3.9Å; W60-I90 HydrophobicContact CE3-CD1 4.26Å; W60-I90 HydrophobicContact CE3-CG1 4.19Å; W60-I90 HydrophobicContact CE3-CG2 4.47Å; W60-I90 HydrophobicContact CZ3-CG2 4.06Å
61P96.3Very high94.9Very high85 Ų8567.7 Ų67.755%0.55232%0.321SS*.G310 helixtrans-60.9-18.7176.8-2536.3000114.6S58 R59S58-P61 VanDerWaalsContact OG-CD 3.26Å; S58-P61 WeakPolarHBondContact OG-CD 3.11Å; R59-P61 VanDerWaalsContact C-CD 3.45Å
62N96.4Very high95.1Very high38 Ų3872.4 Ų72.420%0.20335%0.348CS..G310 helixtrans-87.3-10.7178.3-62-49.8000113.1R59 W60 K65 F66 A162 I163R59-N62 WeakPolarHBondContact O-CB 3.48Å; R59-N62 PolarHBondContact O-N 2.92Å; W60-N62 PolarHBondContact O-N 3.01Å; N62-K65 PolarHBondContact O-N 2.83Å; N62-K65 VanDerWaalsContact O-N 3.11Å; N62-F66 PolarHBondContact O-N 3.04Å; N62-A162 HydrophobicContact CB-CB 3.99Å; N62-A162 PolarHBondContact ND2-O 3.05Å; N62-I163 HydrophobicContact CB-CG2 3.89Å
63M96.9Very high95.2Very high4 Ų470.1 Ų70.12%0.0233%0.334CS..Hα-helixtrans-55.1-44.3-177.1-76.5-58.6-53.100114.2W60 K65 F66 E67 A82 I90 I163 M268W60-M63 HydrophobicContact CD2-CG 4.25Å; W60-M63 HydrophobicContact CE3-CG 3.66Å; W60-M63 HydrophobicContact CZ3-CG 3.95Å; W60-M63 WeakPolarHBondContact O-CB 3.38Å; W60-M63 WeakPolarHBondContact O-CG 3.33Å; W60-M63 PolarHBondContact O-N 3.38Å; M63-K65 VanDerWaalsContact C-N 3.25Å; M63-K65 PolarHBondContact O-N 3.48Å; M63-F66 HydrophobicContact CE-CD1 3.81Å; M63-F66 HydrophobicContact CE-CE1 4.42Å; M63-F66 WeakPolarHBondContact O-CB 3.43Å; M63-F66 PolarHBondContact O-N 2.76Å; M63-F66 VanDerWaalsContact O-N 3.13Å; M63-F66 HydrophobicContact SD-CD1 4.11Å; M63-E67 HydrophobicContact CE-CG 4.16Å; M63-E67 WeakPolarHBondContact O-CG 3.45Å; M63-E67 PolarHBondContact O-N 2.99Å; M63-A82 HydrophobicContact CE-CB 3.53Å; M63-I90 HydrophobicContact CG-CD1 4.25Å; M63-I90 HydrophobicContact SD-CD1 3.9Å; M63-I163 HydrophobicContact SD-CB 4.25Å; M63-I163 HydrophobicContact SD-CG2 3.84Å; M63-M268 HydrophobicContact CE-CE 3.82Å; M63-M268 HydrophobicContact CE-SD 4.39Å; M63-M268 HydrophobicContact SD-CE 4.04Å
64P97.5Very high95.3Very high79 Ų7966.7 Ų66.751%0.51333%0.332SS..Hα-helixtrans-62.5-31.2179.5-25.535.7000113.9R68P64-R68 PolarHBondContact O-N 3.2Å
65K97.5Very high95.5Very high121 Ų12166.9 Ų66.953%0.52633%0.332SS..Hα-helixtrans-74.3-43.2175.2-66.2-179.9-178.4171.60110.5N62 M63 R68 W69N62-K65 PolarHBondContact O-N 2.83Å; N62-K65 VanDerWaalsContact O-N 3.11Å; M63-K65 VanDerWaalsContact C-N 3.25Å; M63-K65 PolarHBondContact O-N 3.48Å; K65-R68 PolarHBondContact O-N 3.04Å; K65-W69 WeakPolarHBondContact O-CB 3.49Å; K65-W69 PolarHBondContact O-N 2.86Å
66F97.7Very high95.8Very high0 Ų072.3 Ų72.30%036%0.356CS..Hα-helixtrans-60.2-46.6176174.2-109.4000112.6N62 M63 R68 W69 C70 Y160 I163 H265 M268N62-F66 PolarHBondContact O-N 3.04Å; M63-F66 HydrophobicContact CE-CD1 3.81Å; M63-F66 HydrophobicContact CE-CE1 4.42Å; M63-F66 WeakPolarHBondContact O-CB 3.43Å; M63-F66 PolarHBondContact O-N 2.76Å; M63-F66 VanDerWaalsContact O-N 3.13Å; M63-F66 HydrophobicContact SD-CD1 4.11Å; F66-R68 VanDerWaalsContact C-N 3.31Å; F66-R68 PolarHBondContact O-N 3.06Å; F66-W69 HydrophobicContact CD2-CE3 4.03Å; F66-W69 AromaticContact CE2-CE3 3.89Å; F66-W69 HydrophobicContact CE2-CE3 3.89Å; F66-W69 AromaticContact CE2-CZ3 3.95Å; F66-W69 HydrophobicContact CE2-CZ3 3.95Å; F66-W69 CarbonylContact O-C 3.48Å; F66-W69 WeakPolarHBondContact O-CA 3.38Å; F66-W69 WeakPolarHBondContact O-CB 3.47Å; F66-W69 PolarHBondContact O-N 3.04Å; F66-W69 VanDerWaalsContact O-N 3.09Å; F66-C70 VanDerWaalsContact CE2-SG 3.54Å; F66-C70 WeakPolarHBondContact CZ-SG 3.33Å; F66-C70 PolarHBondContact O-N 2.94Å; F66-C70 PolarHBondContact O-SG 2.89Å; F66-Y160 AromaticContact CE2-CD2 3.82Å; F66-Y160 HydrophobicContact CE2-CD2 3.82Å; F66-Y160 HydrophobicContact CE2-CG 4.39Å; F66-Y160 HydrophobicContact CZ-CD2 4.38Å; F66-I163 HydrophobicContact CB-CG1 4.29Å; F66-I163 HydrophobicContact CB-CG2 3.69Å; F66-I163 HydrophobicContact CD1-CG1 3.95Å; F66-I163 HydrophobicContact CD1-CG2 4.45Å; F66-I163 HydrophobicContact CD2-CG1 3.74Å; F66-I163 HydrophobicContact CE1-CG1 4.2Å; F66-I163 HydrophobicContact CE2-CD1 4.37Å; F66-I163 HydrophobicContact CE2-CG1 4Å; F66-I163 HydrophobicContact CG-CG1 3.7Å; F66-I163 HydrophobicContact CG-CG2 4.02Å; F66-I163 HydrophobicContact CZ-CD1 4.33Å; F66-I163 HydrophobicContact CZ-CG1 4.2Å; F66-H265 HydrophobicContact CE1-CB 4.37Å; F66-H265 AromaticContact CE1-ND1 3.5Å; F66-H265 HydrophobicContact CZ-CB 3.9Å; F66-H265 AromaticContact CZ-ND1 3.94Å; F66-M268 HydrophobicContact CD1-SD 4.23Å; F66-M268 HydrophobicContact CE1-SD 3.42Å; F66-M268 WeakPolarHBondContact CE1-SD 3.45Å; F66-M268 HydrophobicContact CZ-SD 4.06Å
67E97.6Very high96.2Very high93 Ų9370.6 Ų70.644%0.43534%0.344SS..Hα-helixtrans-61-40177.5-71.8175.8165.500112.1M63 C70 K71M63-E67 HydrophobicContact CE-CG 4.16Å; M63-E67 WeakPolarHBondContact O-CG 3.45Å; M63-E67 PolarHBondContact O-N 2.99Å; E67-C70 PolarHBondContact O-N 3.13Å; E67-K71 PolarHBondContact O-N 3.47Å; E67-K71 VanDerWaalsContact O-N 3.09Å
68R98Very high96.8Very high172 Ų17269.3 Ų69.365%0.64935%0.349SS*.Hα-helixtrans-64.1-42.3173.8-172.8-177.7-57.9171.42.5111.5P64 K65 F66 K71 N72P64-R68 PolarHBondContact O-N 3.2Å; K65-R68 PolarHBondContact O-N 3.04Å; F66-R68 VanDerWaalsContact C-N 3.31Å; F66-R68 PolarHBondContact O-N 3.06Å; R68-K71 PolarHBondContact O-N 3.12Å; R68-N72 VanDerWaalsContact O-CG 3.25Å; R68-N72 PolarHBondContact O-N 3.18Å; R68-N72 PolarHBondContact O-ND2 3.41Å
69W98.1Very high97.2Very high19 Ų1968.5 Ų68.57%0.07234%0.336CS..Hα-helixtrans-61.9-45.5175.6176.191000111.4K65 F66 K71 N72 A73 I75 I111 F156 D159 P264K65-W69 WeakPolarHBondContact O-CB 3.49Å; K65-W69 PolarHBondContact O-N 2.86Å; F66-W69 HydrophobicContact CD2-CE3 4.03Å; F66-W69 AromaticContact CE2-CE3 3.89Å; F66-W69 HydrophobicContact CE2-CE3 3.89Å; F66-W69 AromaticContact CE2-CZ3 3.95Å; F66-W69 HydrophobicContact CE2-CZ3 3.95Å; F66-W69 CarbonylContact O-C 3.48Å; F66-W69 WeakPolarHBondContact O-CA 3.38Å; F66-W69 WeakPolarHBondContact O-CB 3.47Å; F66-W69 PolarHBondContact O-N 3.04Å; F66-W69 VanDerWaalsContact O-N 3.09Å; W69-K71 VanDerWaalsContact C-N 3.34Å; W69-K71 PolarHBondContact O-N 3.09Å; W69-N72 PolarHBondContact O-N 3.23Å; W69-N72 VanDerWaalsContact O-N 3.14Å; W69-A73 HydrophobicContact CD2-CB 4.48Å; W69-A73 HydrophobicContact CZ2-CB 4.39Å; W69-A73 VanDerWaalsContact O-CB 3.25Å; W69-A73 WeakPolarHBondContact O-CB 3.44Å; W69-A73 PolarHBondContact O-N 3.05Å; W69-I75 HydrophobicContact CH2-CD1 4.43Å; W69-I75 HydrophobicContact CZ3-CD1 3.86Å; W69-I111 HydrophobicContact CH2-CG2 3.49Å; W69-I111 VanDerWaalsContact CH2-CG2 3.49Å; W69-I111 HydrophobicContact CZ2-CG2 4.01Å; W69-I111 HydrophobicContact CZ3-CG2 4.3Å; W69-F156 HydrophobicContact CZ2-CD1 4.12Å; W69-F156 AromaticContact CZ2-CE1 3.62Å; W69-F156 HydrophobicContact CZ2-CE1 3.62Å; W69-F156 AromaticContact CZ2-CZ 4Å; W69-F156 HydrophobicContact CZ2-CZ 4Å; W69-F156 PolarHBondContact NE1-O 3.29Å; W69-D159 HydrophobicContact CB-CB 3.82Å; W69-D159 HydrophobicContact CG-CB 4.03Å; W69-P264 HydrophobicContact CH2-CB 3.77Å; W69-P264 HydrophobicContact CH2-CG 3.81Å; W69-P264 HydrophobicContact CZ3-CB 3.62Å; W69-P264 HydrophobicContact CZ3-CG 4.2Å
70C98.3Very high97.4Very high7 Ų766.8 Ų66.85%0.04733%0.33CS..Hα-helixtrans-54.1-49.2175-74.70000111.6F66 E67 N72 A73 G74 I75F66-C70 VanDerWaalsContact CE2-SG 3.54Å; F66-C70 WeakPolarHBondContact CZ-SG 3.33Å; F66-C70 PolarHBondContact O-N 2.94Å; F66-C70 PolarHBondContact O-SG 2.89Å; E67-C70 PolarHBondContact O-N 3.13Å; C70-N72 PolarHBondContact O-N 3.04Å; C70-A73 PolarHBondContact O-N 3.02Å; C70-G74 PolarHBondContact O-N 3.11Å; C70-I75 HydrophobicContact CB-CB 3.97Å; C70-I75 HydrophobicContact CB-CD1 4.26Å; C70-I75 HydrophobicContact CB-CG2 4.32Å; C70-I75 WeakPolarHBondContact O-CB 3.48Å; C70-I75 PolarHBondContact O-N 3.32Å
71K97.4Very high97.5Very high169 Ų16965.8 Ų65.874%0.73533%0.329SS*.Hα-helixtrans-58.9-45.6177.5-174.6176.9-179.2176.20112E67 R68 W69 A73 G74E67-K71 PolarHBondContact O-N 3.47Å; E67-K71 VanDerWaalsContact O-N 3.09Å; R68-K71 PolarHBondContact O-N 3.12Å; W69-K71 VanDerWaalsContact C-N 3.34Å; W69-K71 PolarHBondContact O-N 3.09Å; K71-A73 VanDerWaalsContact C-N 3.33Å; K71-G74 PolarHBondContact O-N 3.01Å
72N97.9Very high97.6Very high132 Ų13262.4 Ų62.471%0.70631%0.308SS*.Hα-helixtrans-69.5-31.3179.8-68.1-13.3000112.8R68 W69 C70 G74R68-N72 VanDerWaalsContact O-CG 3.25Å; R68-N72 PolarHBondContact O-N 3.18Å; R68-N72 PolarHBondContact O-ND2 3.41Å; W69-N72 PolarHBondContact O-N 3.23Å; W69-N72 VanDerWaalsContact O-N 3.14Å; C70-N72 PolarHBondContact O-N 3.04Å; N72-G74 PolarHBondContact O-N 3.05Å
73A97.5Very high97.6Very high13 Ų1363.6 Ų63.611%0.10731%0.312CS..THydrogen-bonded Turntrans-77.6-5.3176.300000113W69 C70 K71 I75 I111 F156W69-A73 HydrophobicContact CD2-CB 4.48Å; W69-A73 HydrophobicContact CZ2-CB 4.39Å; W69-A73 VanDerWaalsContact O-CB 3.25Å; W69-A73 WeakPolarHBondContact O-CB 3.44Å; W69-A73 PolarHBondContact O-N 3.05Å; C70-A73 PolarHBondContact O-N 3.02Å; K71-A73 VanDerWaalsContact C-N 3.33Å; A73-I75 HydrophobicContact CB-CG1 4.48Å; A73-I111 HydrophobicContact CB-CD1 3.91Å; A73-I111 HydrophobicContact CB-CG1 4.18Å; A73-I111 HydrophobicContact CB-CG2 3.96Å; A73-I111 WeakPolarHBondContact O-CD1 3.37Å; A73-I111 WeakPolarHBondContact O-CG1 3.41Å; A73-F156 HydrophobicContact CB-CZ 4.24Å
74G97.7Very high97.6Very high35 Ų3569.5 Ų69.536%0.36134%0.339SS..THydrogen-bonded Turntrans80.715-178.600000114.3C70 K71 N72 K76 P108C70-G74 PolarHBondContact O-N 3.11Å; K71-G74 PolarHBondContact O-N 3.01Å; N72-G74 PolarHBondContact O-N 3.05Å; G74-K76 PolarHBondContact O-N 2.83Å; G74-P108 WeakPolarHBondContact O-CD 3.44Å
75I98.3Very high97.4Very high12 Ų1267 Ų676%0.06232%0.323CS..  trans-71.9125.4170.9-61.6177.1000108.5W69 C70 A73 I105 T106 V107 I111 P264 H265W69-I75 HydrophobicContact CH2-CD1 4.43Å; W69-I75 HydrophobicContact CZ3-CD1 3.86Å; C70-I75 HydrophobicContact CB-CB 3.97Å; C70-I75 HydrophobicContact CB-CD1 4.26Å; C70-I75 HydrophobicContact CB-CG2 4.32Å; C70-I75 WeakPolarHBondContact O-CB 3.48Å; C70-I75 PolarHBondContact O-N 3.32Å; A73-I75 HydrophobicContact CB-CG1 4.48Å; I75-I105 HydrophobicContact CG2-CG2 4.31Å; I75-T106 WeakPolarHBondContact CA-O 3.49Å; I75-V107 HydrophobicContact CD1-CG1 4.31Å; I75-V107 HydrophobicContact CG1-CG1 4.2Å; I75-V107 HydrophobicContact CG1-CG2 4.45Å; I75-V107 HydrophobicContact CG2-CG2 4.28Å; I75-I111 HydrophobicContact CD1-CG2 4Å; I75-I111 HydrophobicContact CG1-CG2 4.34Å; I75-P264 HydrophobicContact CD1-CB 4.13Å; I75-H265 HydrophobicContact CD1-CB 4.25Å; I75-H265 HydrophobicContact CG2-CB 3.97Å
76K97.8Very high97Very high136 Ų13670.3 Ų70.359%0.59134%0.34SS*.BIsolated β-bridgetrans-104.4128.5176.7-58.2-177.9-178.4177.90109.7G74 I105 T106G74-K76 PolarHBondContact O-N 2.83Å; K76-I105 CarbonylContact O-C 3.52Å; K76-I105 VanDerWaalsContact O-CA 3.3Å; K76-I105 WeakPolarHBondContact O-CA 3.4Å; K76-T106 PolarHBondContact N-O 3.23Å; K76-T106 PolarHBondContact O-N 2.76Å
77S97Very high96.5Very high15 Ų1573.4 Ų73.411%0.10537%0.372CS..  trans-158.834.2178.7-179.80000111.7R79 L80 H265S77-R79 PolarHBondContact O-N 3.37Å; S77-R79 VanDerWaalsContact O-N 3.08Å; S77-L80 PolarHBondContact O-N 3.04Å; S77-H265 WeakPolarHBondContact CB-NE2 3.38Å; S77-H265 PolarHBondContact OG-NE2 2.81Å
78D96.9Very high96.2Very high131 Ų13172 Ų7270%0.70136%0.363SS*.THydrogen-bonded Turntrans-61.4-27.6-166.1-60.4-48.2000113.6L80 K95D78-L80 VanDerWaalsContact C-N 3.28Å; D78-L80 PolarHBondContact O-N 3.28Å; D78-K95 WeakPolarHBondContact O-CD 3.46Å; D78-K95 PolarHBondContact O-NZ 3.25Å
79R97.7Very high95.9Very high49 Ų4965.4 Ų65.419%0.18535%0.348CS..THydrogen-bonded Turntrans-79.7-4.8-179.8-56.9178.269.3-176.23.3114.1S77 K95 E96 D97 I98 E102S77-R79 PolarHBondContact O-N 3.37Å; S77-R79 VanDerWaalsContact O-N 3.08Å; R79-K95 WeakPolarHBondContact O-CB 3.29Å; R79-K95 PolarHBondContact O-N 3.04Å; R79-E96 WeakPolarHBondContact CD-OE1 3.32Å; R79-E96 WeakPolarHBondContact CG-OE1 3.46Å; R79-E96 IonicContact CZ-OE1 3.68Å; R79-E96 IonicContact NE-OE1 2.98Å; R79-E96 PolarHBondContact NE-OE1 3.24Å; R79-E96 IonicContact NH2-OE1 3.52Å; R79-E96 PolarHBondContact NH2-OE1 3.5Å; R79-D97 PolarHBondContact NH2-O 3.45Å; R79-I98 HydrophobicContact CB-CD1 4.44Å; R79-E102 IonicContact CZ-OE1 3.82Å; R79-E102 IonicContact CZ-OE2 2.71Å; R79-E102 IonicContact NH1-OE1 3.92Å; R79-E102 PolarHBondContact NH1-OE1 3.47Å; R79-E102 IonicContact NH1-OE2 2.65Å; R79-E102 PolarHBondContact NH1-OE2 3.28Å; R79-E102 VanDerWaalsContact NH1-OE2 3.07Å; R79-E102 IonicContact NH2-OE1 2.77Å; R79-E102 PolarHBondContact NH2-OE1 3.34Å; R79-E102 IonicContact NH2-OE2 3.05Å; R79-E102 PolarHBondContact NH2-OE2 3.42Å
80L98.1Very high95.8Very high8 Ų864.9 Ų64.94%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-117.7151.4-179.3-53.7-179.7000111.9S77 D78 L92 F93 K95 I98 L104 I105 V302S77-L80 PolarHBondContact O-N 3.04Å; D78-L80 VanDerWaalsContact C-N 3.28Å; D78-L80 PolarHBondContact O-N 3.28Å; L80-L92 HydrophobicContact CB-CB 4.5Å; L80-L92 HydrophobicContact CD1-CB 4.22Å; L80-L92 HydrophobicContact CD1-CD1 3.95Å; L80-F93 CarbonylContact C-O 3.54Å; L80-F93 VanDerWaalsContact CA-O 3.26Å; L80-F93 WeakPolarHBondContact CA-O 3.3Å; L80-K95 WeakPolarHBondContact O-CE 3.38Å; L80-K95 PolarHBondContact O-NZ 3.37Å; L80-I98 HydrophobicContact CD2-CD1 4.18Å; L80-L104 HydrophobicContact CD1-CB 4.24Å; L80-L104 HydrophobicContact CD2-CD2 4.21Å; L80-I105 HydrophobicContact CD1-CD1 4.04Å; L80-I105 HydrophobicContact CD1-CG1 3.81Å; L80-V302 HydrophobicContact CD2-CG2 3.72Å
81Q97.6Very high95.7Very high64 Ų6464.5 Ų64.530%0.29934%0.344SS..EExtended strand (participates in β ladder)trans-129.4141.6170.559.8-173.7-3.300110.6L92 F93 K95Q81-L92 CarbonylContact O-C 3.55Å; Q81-L92 WeakPolarHBondContact O-CA 3.02Å; Q81-F93 HydrophobicContact CG-CB 3.98Å; Q81-F93 PolarHBondContact N-O 3.25Å; Q81-F93 PolarHBondContact O-N 3.47Å; Q81-K95 HydrophobicContact CB-CG 4.15Å; Q81-K95 HydrophobicContact CG-CG 4.11Å
82A97.9Very high95.7Very high14 Ų1456.5 Ų56.512%0.11631%0.309CS..EExtended strand (participates in β ladder)trans-78.8144.7173.300000111.1W60 M63 I90 G91 L92 M268W60-A82 HydrophobicContact CH2-CB 4.42Å; W60-A82 HydrophobicContact CZ3-CB 4.24Å; M63-A82 HydrophobicContact CE-CB 3.53Å; A82-I90 HydrophobicContact CB-CG2 4.14Å; A82-G91 CarbonylContact C-O 3.59Å; A82-G91 WeakPolarHBondContact CA-O 3.43Å; A82-L92 HydrophobicContact CB-CD2 4.09Å; A82-M268 HydrophobicContact CB-CE 4.21Å
83K97.3Very high95.7Very high63 Ų6351.4 Ų51.427%0.27428%0.281SS..EExtended strand (participates in β ladder)trans-139.7153.6169.6-58.2-176.3-176173.20110.1W60 I90 G91 F93W60-K83 VanDerWaalsContact CH2-CA 3.49Å; K83-I90 WeakPolarHBondContact O-CA 3.34Å; K83-G91 PolarHBondContact N-O 3.37Å; K83-G91 PolarHBondContact O-N 3.13Å; K83-F93 HydrophobicContact CB-CD2 3.75Å; K83-F93 HydrophobicContact CB-CE2 3.62Å; K83-F93 HydrophobicContact CB-CZ 4.4Å; K83-F93 HydrophobicContact CD-CB 4.37Å; K83-F93 HydrophobicContact CD-CD1 4.09Å; K83-F93 HydrophobicContact CD-CD2 3.69Å; K83-F93 HydrophobicContact CD-CE1 4.29Å; K83-F93 HydrophobicContact CD-CE2 3.95Å; K83-F93 HydrophobicContact CD-CG 3.78Å; K83-F93 HydrophobicContact CD-CZ 4.23Å; K83-F93 HydrophobicContact CG-CD2 3.69Å; K83-F93 HydrophobicContact CG-CE2 4.04Å; K83-F93 HydrophobicContact CG-CG 4.2Å
84Q95.4Very high95.8Very high127 Ų12750.8 Ų50.859%0.59328%0.276SS*.EExtended strand (participates in β ladder)trans-73.7135.5163.9-63.2-170.4-76.700109.4W60 G89W60-Q84 HydrophobicContact CB-CG 4.11Å; W60-Q84 HydrophobicContact CD2-CG 3.28Å; W60-Q84 HydrophobicContact CE3-CG 3.33Å; W60-Q84 VanDerWaalsContact CG-CD 3.4Å; W60-Q84 HydrophobicContact CG-CG 3.63Å; W60-Q84 HydrophobicContact CH2-CG 4.35Å; W60-Q84 HydrophobicContact CZ2-CG 4.28Å; W60-Q84 HydrophobicContact CZ3-CG 3.9Å; Q84-G89 CarbonylContact C-O 3.56Å; Q84-G89 VanDerWaalsContact CA-O 3.29Å; Q84-G89 WeakPolarHBondContact CA-O 3.33Å
85V93.8Very high95.8Very high28 Ų2853.3 Ų53.317%0.1728%0.277CS..EExtended strand (participates in β ladder)trans-134.5125.9-177.4-171.80000108.5G87 Y88 G89 F93V85-G87 PolarHBondContact O-N 3.41Å; V85-Y88 HydrophobicContact CG1-CD2 3.74Å; V85-Y88 HydrophobicContact CG1-CG 4.37Å; V85-Y88 PolarHBondContact O-N 2.86Å; V85-G89 PolarHBondContact N-O 2.94Å; V85-G89 PolarHBondContact O-N 3.05Å; V85-F93 HydrophobicContact CG2-CE2 3.42Å; V85-F93 VanDerWaalsContact CG2-CE2 3.42Å; V85-F93 HydrophobicContact CG2-CZ 3.59Å
86E90Very high95.8Very high190 Ų19057.1 Ų57.189%0.88829%0.294SS*.THydrogen-bonded Turntrans-58.4136.5174.2-172174.1-174.400110.6Y88E86-Y88 PolarHBondContact O-N 3.35Å; E86-Y88 VanDerWaalsContact O-N 3.13Å
87G87.3Confident95.9Very high65 Ų6556 Ų5667%0.6730%0.295SS*.THydrogen-bonded Turntrans77.3-18.3-17700000115.8V85V85-G87 PolarHBondContact O-N 3.41Å
88Y90.4Very high95.9Very high64 Ų6455.5 Ų55.525%0.25129%0.291SS..THydrogen-bonded Turntrans-116.4-15.8-179.5-66.9-86.3000113.8V85 E86 I90 N270 F303V85-Y88 HydrophobicContact CG1-CD2 3.74Å; V85-Y88 HydrophobicContact CG1-CG 4.37Å; V85-Y88 PolarHBondContact O-N 2.86Å; E86-Y88 PolarHBondContact O-N 3.35Å; E86-Y88 VanDerWaalsContact O-N 3.13Å; Y88-I90 PolarHBondContact O-N 3.22Å; Y88-I90 VanDerWaalsContact O-N 3.1Å; Y88-N270 HydrophobicContact CD1-CB 3.65Å; Y88-N270 HydrophobicContact CE1-CB 4.11Å; Y88-F303 HydrophobicContact CD1-CE1 4.33Å; Y88-F303 AromaticContact CE1-CE1 3.72Å; Y88-F303 HydrophobicContact CE1-CE1 3.72Å; Y88-F303 AromaticContact CZ-CE1 3.81Å
89G91.7Very high96Very high32 Ų3252.5 Ų52.533%0.3328%0.28SS..EExtended strand (participates in β ladder)trans77.7-91.6-174.200000111.5Q84 V85Q84-G89 CarbonylContact C-O 3.56Å; Q84-G89 VanDerWaalsContact CA-O 3.29Å; Q84-G89 WeakPolarHBondContact CA-O 3.33Å; V85-G89 PolarHBondContact N-O 2.94Å; V85-G89 PolarHBondContact O-N 3.05Å
90I95.3Very high96Very high8 Ų855.4 Ų55.44%0.04130%0.298CS..EExtended strand (participates in β ladder)trans-116.8131.7177.6-53175.4000108.3R59 W60 M63 A82 K83 Y88 M268 N270R59-I90 HydrophobicContact CG-CD1 4.35Å; W60-I90 HydrophobicContact CE3-CD1 4.26Å; W60-I90 HydrophobicContact CE3-CG1 4.19Å; W60-I90 HydrophobicContact CE3-CG2 4.47Å; W60-I90 HydrophobicContact CZ3-CG2 4.06Å; M63-I90 HydrophobicContact CG-CD1 4.25Å; M63-I90 HydrophobicContact SD-CD1 3.9Å; A82-I90 HydrophobicContact CB-CG2 4.14Å; K83-I90 WeakPolarHBondContact O-CA 3.34Å; Y88-I90 PolarHBondContact O-N 3.22Å; Y88-I90 VanDerWaalsContact O-N 3.1Å; I90-M268 HydrophobicContact CB-CE 4.12Å; I90-M268 HydrophobicContact CG2-CE 3.25Å; I90-N270 PolarHBondContact O-ND2 2.93Å
91G96.3Very high95.9Very high0 Ų057.1 Ų57.10%032%0.318CS..EExtended strand (participates in β ladder)trans-127.7156.4175.700000112.1A82 K83 N270A82-G91 CarbonylContact C-O 3.59Å; A82-G91 WeakPolarHBondContact CA-O 3.43Å; K83-G91 PolarHBondContact N-O 3.37Å; K83-G91 PolarHBondContact O-N 3.13Å; G91-N270 WeakPolarHBondContact CA-ND2 3.45Å
92L97.9Very high95.8Very high0 Ų057.3 Ų57.30%032%0.319CS..EExtended strand (participates in β ladder)trans-99.9132.7175.2-62.6-176.3000110.2L80 Q81 A82 I105 M268 V269 Q301 V302L80-L92 HydrophobicContact CB-CB 4.5Å; L80-L92 HydrophobicContact CD1-CB 4.22Å; L80-L92 HydrophobicContact CD1-CD1 3.95Å; Q81-L92 CarbonylContact O-C 3.55Å; Q81-L92 WeakPolarHBondContact O-CA 3.02Å; A82-L92 HydrophobicContact CB-CD2 4.09Å; L92-I105 HydrophobicContact CD1-CD1 3.76Å; L92-M268 HydrophobicContact CD1-CB 4.18Å; L92-M268 HydrophobicContact CD2-CB 4.43Å; L92-M268 HydrophobicContact CD2-CE 4.06Å; L92-M268 HydrophobicContact CG-CB 4.14Å; L92-V269 HydrophobicContact CD1-CG2 3.91Å; L92-Q301 CarbonylContact O-C 3.51Å; L92-Q301 WeakPolarHBondContact O-CA 3.18Å; L92-V302 PolarHBondContact O-N 3.48Å
93F98.4Very high95.8Very high26 Ų2659.6 Ų59.611%0.11433%0.331CS..EExtended strand (participates in β ladder)trans-120.1141.3-176.1-72.6-106.4000110.9L80 Q81 K83 V85 N299 E300 Q301L80-F93 CarbonylContact C-O 3.54Å; L80-F93 VanDerWaalsContact CA-O 3.26Å; L80-F93 WeakPolarHBondContact CA-O 3.3Å; Q81-F93 HydrophobicContact CG-CB 3.98Å; Q81-F93 PolarHBondContact N-O 3.25Å; Q81-F93 PolarHBondContact O-N 3.47Å; K83-F93 HydrophobicContact CB-CD2 3.75Å; K83-F93 HydrophobicContact CB-CE2 3.62Å; K83-F93 HydrophobicContact CB-CZ 4.4Å; K83-F93 HydrophobicContact CD-CB 4.37Å; K83-F93 HydrophobicContact CD-CD1 4.09Å; K83-F93 HydrophobicContact CD-CD2 3.69Å; K83-F93 HydrophobicContact CD-CE1 4.29Å; K83-F93 HydrophobicContact CD-CE2 3.95Å; K83-F93 HydrophobicContact CD-CG 3.78Å; K83-F93 HydrophobicContact CD-CZ 4.23Å; K83-F93 HydrophobicContact CG-CD2 3.69Å; K83-F93 HydrophobicContact CG-CE2 4.04Å; K83-F93 HydrophobicContact CG-CG 4.2Å; V85-F93 HydrophobicContact CG2-CE2 3.42Å; V85-F93 VanDerWaalsContact CG2-CE2 3.42Å; V85-F93 HydrophobicContact CG2-CZ 3.59Å; F93-N299 VanDerWaalsContact CD1-O 3.31Å; F93-N299 WeakPolarHBondContact CD1-O 3.41Å; F93-E300 CarbonylContact C-O 3.6Å; F93-E300 VanDerWaalsContact CA-O 3.23Å; F93-E300 WeakPolarHBondContact CA-O 3.39Å; F93-Q301 HydrophobicContact CD1-CB 4.02Å; F93-Q301 HydrophobicContact CD2-CB 4.48Å; F93-Q301 HydrophobicContact CE1-CB 3.67Å; F93-Q301 HydrophobicContact CE2-CB 4.12Å; F93-Q301 HydrophobicContact CE2-CG 4.27Å; F93-Q301 HydrophobicContact CG-CB 4.42Å; F93-Q301 HydrophobicContact CZ-CB 3.72Å; F93-Q301 HydrophobicContact CZ-CG 4.28Å
94A98.6Very high95.8Very high0 Ų056.9 Ų56.90%032%0.319CS..EExtended strand (participates in β ladder)trans-65.5132.3174.800000110.7E96 I98 W296 N299 E300 V302A94-E96 WeakPolarHBondContact CB-O 3.33Å; A94-I98 HydrophobicContact CB-CD1 3.73Å; A94-I98 HydrophobicContact CB-CG1 4.18Å; A94-W296 HydrophobicContact CB-CB 4.25Å; A94-N299 WeakPolarHBondContact O-CA 3.48Å; A94-N299 PolarHBondContact O-N 2.78Å; A94-E300 PolarHBondContact N-O 3.01Å; A94-V302 HydrophobicContact CB-CG2 4.28Å
95K98.6Very high95.9Very high88 Ų8850.9 Ų50.938%0.38329%0.291SS..SBendtrans-85.8-13.8174.3-70-176.6-174.7151.70113.3D78 R79 L80 Q81 Q298D78-K95 WeakPolarHBondContact O-CD 3.46Å; D78-K95 PolarHBondContact O-NZ 3.25Å; R79-K95 WeakPolarHBondContact O-CB 3.29Å; R79-K95 PolarHBondContact O-N 3.04Å; L80-K95 WeakPolarHBondContact O-CE 3.38Å; L80-K95 PolarHBondContact O-NZ 3.37Å; Q81-K95 HydrophobicContact CB-CG 4.15Å; Q81-K95 HydrophobicContact CG-CG 4.11Å; K95-Q298 WeakPolarHBondContact O-CG 3.47Å; K95-Q298 PolarHBondContact O-NE2 2.91Å
96E98.5Very high96.1Very high92 Ų9250.8 Ų50.843%0.4329%0.291SS..SBendtrans-153.1175.6-17758.5-172.9-161.800108.6R79 A94 I98R79-E96 WeakPolarHBondContact CD-OE1 3.32Å; R79-E96 WeakPolarHBondContact CG-OE1 3.46Å; R79-E96 IonicContact CZ-OE1 3.68Å; R79-E96 IonicContact NE-OE1 2.98Å; R79-E96 PolarHBondContact NE-OE1 3.24Å; R79-E96 IonicContact NH2-OE1 3.52Å; R79-E96 PolarHBondContact NH2-OE1 3.5Å; A94-E96 WeakPolarHBondContact CB-O 3.33Å; E96-I98 WeakPolarHBondContact O-CG1 3.45Å
97D98.6Very high96.5Very high112 Ų11241.8 Ų41.860%0.59925%0.249SC*.  trans-70140.8172-67.8-8.2000110.1R79 W296 R297 Q298R79-D97 PolarHBondContact NH2-O 3.45Å; D97-W296 CarbonylContact C-O 3.59Å; D97-W296 WeakPolarHBondContact CA-O 3.48Å; D97-R297 WeakPolarHBondContact OD1-CA 3.38Å; D97-Q298 PolarHBondContact OD1-N 3.02Å
98I98.3Very high96.9Very high5 Ų540.1 Ų40.13%0.02623%0.226CC..BIsolated β-bridgetrans-131.8124.7-174.9-48.6-172.9000108.6R79 L80 A94 E96 E102 L104 A292 E295 W296R79-I98 HydrophobicContact CB-CD1 4.44Å; L80-I98 HydrophobicContact CD2-CD1 4.18Å; A94-I98 HydrophobicContact CB-CD1 3.73Å; A94-I98 HydrophobicContact CB-CG1 4.18Å; E96-I98 WeakPolarHBondContact O-CG1 3.45Å; I98-E102 WeakPolarHBondContact CA-OE2 3.49Å; I98-E102 HydrophobicContact CG2-CB 4.02Å; I98-E102 WeakPolarHBondContact CG2-OE2 3.42Å; I98-L104 HydrophobicContact CD1-CD2 3.38Å; I98-L104 HydrophobicContact CG1-CD2 4.42Å; I98-L104 HydrophobicContact CG2-CD2 3.64Å; I98-A292 HydrophobicContact CG2-CB 3.87Å; I98-E295 CarbonylContact O-C 3.41Å; I98-E295 VanDerWaalsContact O-CA 3.29Å; I98-E295 WeakPolarHBondContact O-CA 3.39Å; I98-W296 HydrophobicContact CB-CB 4.2Å; I98-W296 PolarHBondContact N-O 3.27Å; I98-W296 PolarHBondContact O-N 2.64Å
99S98.1Very high96.9Very high68 Ų6837.8 Ų37.848%0.47622%0.217SC..  trans-80.1156174.8-610000111.7E102 A292S99-E102 PolarHBondContact N-OE2 2.87Å; S99-E102 WeakPolarHBondContact O-CG 3.47Å; S99-E102 PolarHBondContact O-N 2.84Å; S99-A292 WeakPolarHBondContact O-CB 3.37Å
100I97Very high96.8Very high110 Ų11039.8 Ų39.856%0.56422%0.224SC*.THydrogen-bonded Turntrans-57.2141.1174-169.6169.5000111.4E102I100-E102 VanDerWaalsContact C-N 3.26Å; I100-E102 PolarHBondContact O-N 3.31Å
101G96.2Very high96.7Very high44 Ų4440.2 Ų40.245%0.45423%0.227SC..THydrogen-bonded Turntrans80-4.2178.300000115.1L291 A292G101-L291 WeakPolarHBondContact O-CD2 3.27Å; G101-A292 PolarHBondContact N-O 3.35Å
102E97Very high96.6Very high68 Ų6840.2 Ų40.232%0.31823%0.227SC..  trans-71.2142.6175.4-65.5-165.592.500112R79 I98 S99 I100 L104 L291 A292R79-E102 IonicContact CZ-OE1 3.82Å; R79-E102 IonicContact CZ-OE2 2.71Å; R79-E102 IonicContact NH1-OE1 3.92Å; R79-E102 PolarHBondContact NH1-OE1 3.47Å; R79-E102 IonicContact NH1-OE2 2.65Å; R79-E102 PolarHBondContact NH1-OE2 3.28Å; R79-E102 VanDerWaalsContact NH1-OE2 3.07Å; R79-E102 IonicContact NH2-OE1 2.77Å; R79-E102 PolarHBondContact NH2-OE1 3.34Å; R79-E102 IonicContact NH2-OE2 3.05Å; R79-E102 PolarHBondContact NH2-OE2 3.42Å; I98-E102 WeakPolarHBondContact CA-OE2 3.49Å; I98-E102 HydrophobicContact CG2-CB 4.02Å; I98-E102 WeakPolarHBondContact CG2-OE2 3.42Å; S99-E102 PolarHBondContact N-OE2 2.87Å; S99-E102 WeakPolarHBondContact O-CG 3.47Å; S99-E102 PolarHBondContact O-N 2.84Å; I100-E102 VanDerWaalsContact C-N 3.26Å; I100-E102 PolarHBondContact O-N 3.31Å; E102-L104 PolarHBondContact O-N 3.32Å; E102-L291 CarbonylContact O-C 3.58Å; E102-L291 VanDerWaalsContact O-CA 3.25Å; E102-L291 WeakPolarHBondContact O-CA 3.45Å; E102-A292 PolarHBondContact O-N 3.01Å
103V97.1Very high96.4Very high61 Ų6140.2 Ų40.237%0.3723%0.227SC..EExtended strand (participates in β ladder)trans-74.7122.7176.9-179.50000109.9T106 R289 L291V103-T106 WeakPolarHBondContact CG1-OG1 3.48Å; V103-R289 HydrophobicContact CG1-CB 4.45Å; V103-R289 HydrophobicContact CG1-CG 4.48Å; V103-L291 HydrophobicContact CG2-CD2 4.49Å; V103-L291 HydrophobicContact CG2-CG 4.34Å
104L97.5Very high95.9Very high6 Ų639.1 Ų39.13%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-100.3-43-177.6-69.9-177.6000112.8L80 I98 E102 F290 A292 V302L80-L104 HydrophobicContact CD1-CB 4.24Å; L80-L104 HydrophobicContact CD2-CD2 4.21Å; I98-L104 HydrophobicContact CD1-CD2 3.38Å; I98-L104 HydrophobicContact CG1-CD2 4.42Å; I98-L104 HydrophobicContact CG2-CD2 3.64Å; E102-L104 PolarHBondContact O-N 3.32Å; L104-F290 HydrophobicContact CB-CD1 3.77Å; L104-F290 HydrophobicContact CB-CE1 4.15Å; L104-F290 HydrophobicContact CD1-CD1 4.03Å; L104-F290 HydrophobicContact CD1-CE1 3.56Å; L104-F290 HydrophobicContact CD1-CZ 4.35Å; L104-F290 HydrophobicContact CG-CD1 4.49Å; L104-F290 HydrophobicContact CG-CE1 4.48Å; L104-F290 PolarHBondContact N-O 2.85Å; L104-A292 HydrophobicContact CD1-CB 3.93Å; L104-A292 HydrophobicContact CG-CB 4.17Å; L104-V302 HydrophobicContact CD1-CG1 3.68Å
105I98Very high95Very high1 Ų140.1 Ų40.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-132.5136.4179.9-53.3170.9000108.7I75 K76 L80 L92 V107 V269 R289 F290I75-I105 HydrophobicContact CG2-CG2 4.31Å; K76-I105 CarbonylContact O-C 3.52Å; K76-I105 VanDerWaalsContact O-CA 3.3Å; K76-I105 WeakPolarHBondContact O-CA 3.4Å; L80-I105 HydrophobicContact CD1-CD1 4.04Å; L80-I105 HydrophobicContact CD1-CG1 3.81Å; L92-I105 HydrophobicContact CD1-CD1 3.76Å; I105-V107 HydrophobicContact CG2-CG2 3.82Å; I105-V269 HydrophobicContact CD1-CG2 3.84Å; I105-R289 WeakPolarHBondContact O-CA 3.44Å; I105-F290 HydrophobicContact CB-CB 4.14Å; I105-F290 HydrophobicContact CD1-CD1 3.99Å; I105-F290 HydrophobicContact CG1-CD1 4.14Å; I105-F290 PolarHBondContact N-O 2.88Å; I105-F290 PolarHBondContact O-N 3.44Å
106T97.7Very high93.9Very high26 Ų2639.3 Ų39.316%0.1622%0.222CC..EExtended strand (participates in β ladder)trans-124.3123.7168.4-570000109.2I75 K76 V103 V287 I288I75-T106 WeakPolarHBondContact CA-O 3.49Å; K76-T106 PolarHBondContact N-O 3.23Å; K76-T106 PolarHBondContact O-N 2.76Å; V103-T106 WeakPolarHBondContact CG1-OG1 3.48Å; T106-V287 HydrophobicContact CG2-CB 3.56Å; T106-V287 HydrophobicContact CG2-CG1 3.9Å; T106-V287 HydrophobicContact CG2-CG2 3.52Å; T106-I288 CarbonylContact C-O 3.56Å; T106-I288 WeakPolarHBondContact CA-O 3.32Å
107V97.3Very high92.7Very high1 Ų136.7 Ų36.71%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-118.5117.8179.3-176.60000108.9I75 I105 R109 I111 I263 W266 V287 I288I75-V107 HydrophobicContact CD1-CG1 4.31Å; I75-V107 HydrophobicContact CG1-CG1 4.2Å; I75-V107 HydrophobicContact CG1-CG2 4.45Å; I75-V107 HydrophobicContact CG2-CG2 4.28Å; I105-V107 HydrophobicContact CG2-CG2 3.82Å; V107-R109 PolarHBondContact O-N 3.48Å; V107-I111 HydrophobicContact CG1-CB 4.32Å; V107-I263 HydrophobicContact CB-CG2 4.11Å; V107-I263 HydrophobicContact CG1-CG2 4.01Å; V107-I263 HydrophobicContact CG2-CG2 4.04Å; V107-W266 HydrophobicContact CG2-CB 4.27Å; V107-V287 CarbonylContact O-C 3.56Å; V107-V287 WeakPolarHBondContact O-CA 3.44Å; V107-I288 HydrophobicContact CB-CB 4.45Å; V107-I288 PolarHBondContact N-O 3.48Å; V107-I288 PolarHBondContact O-N 3.49Å
108P95.6Very high91.3Very high30 Ų3031.4 Ų31.420%0.19518%0.181CC..EExtended strand (participates in β ladder)trans-61.1131.1172.7-16.928.7000110.4G74 P110 I111 V287G74-P108 WeakPolarHBondContact O-CD 3.44Å; P108-P110 VanDerWaalsContact C-N 3.3Å; P108-I111 HydrophobicContact CB-CG1 3.96Å; P108-I111 HydrophobicContact CG-CG1 4.15Å; P108-I111 VanDerWaalsContact O-CB 3.27Å; P108-I111 WeakPolarHBondContact O-CB 3.44Å; P108-I111 WeakPolarHBondContact O-CG1 3.28Å; P108-I111 PolarHBondContact O-N 3.45Å; P108-V287 HydrophobicContact CB-CG1 4.44Å
109R91.4Very high89.8Confident16 Ų1634 Ų346%0.0619%0.193CC..G310 helixtrans-52.4-40.2-175.1-169.8-166.2-174.791.3-0.4113.7V107 I111 A112 L245 P246 Y281 N286V107-R109 PolarHBondContact O-N 3.48Å; R109-I111 PolarHBondContact O-N 3.35Å; R109-I111 VanDerWaalsContact O-N 3.07Å; R109-A112 WeakPolarHBondContact O-CB 3.25Å; R109-A112 PolarHBondContact O-N 3Å; R109-A112 VanDerWaalsContact O-N 3.09Å; R109-L245 HydrophobicContact CG-CD1 4.39Å; R109-P246 PolarHBondContact NH1-O 3.23Å; R109-P246 PolarHBondContact NH2-O 2.97Å; R109-Y281 HydrophobicContact CB-CE2 4.49Å; R109-Y281 VanDerWaalsContact NH1-CZ 3.34Å; R109-Y281 PolarHBondContact NH1-OH 3.43Å; R109-N286 WeakPolarHBondContact CB-O 3.43Å; R109-N286 VanDerWaalsContact CB-OD1 3.25Å; R109-N286 WeakPolarHBondContact CB-OD1 3.49Å; R109-N286 WeakPolarHBondContact CD-OD1 3.27Å; R109-N286 PolarHBondContact N-O 3.32Å
110P89.9Confident88.3Confident74 Ų7438.9 Ų38.948%0.48120%0.201SC..G310 helixtrans-63.4-12.5178.4-23.235.7000114.9P108 H117P108-P110 VanDerWaalsContact C-N 3.3Å; P110-H117 PolarHBondContact O-NE2 3.24Å
111I93.9Very high86.9Confident17 Ų1739.7 Ų39.79%0.08720%0.197CC..G310 helixtrans-83.1-21.8177.9-53.1-53.6000111.5W69 A73 I75 V107 P108 R109 L113 F156 W157 P264W69-I111 HydrophobicContact CH2-CG2 3.49Å; W69-I111 VanDerWaalsContact CH2-CG2 3.49Å; W69-I111 HydrophobicContact CZ2-CG2 4.01Å; W69-I111 HydrophobicContact CZ3-CG2 4.3Å; A73-I111 HydrophobicContact CB-CD1 3.91Å; A73-I111 HydrophobicContact CB-CG1 4.18Å; A73-I111 HydrophobicContact CB-CG2 3.96Å; A73-I111 WeakPolarHBondContact O-CD1 3.37Å; A73-I111 WeakPolarHBondContact O-CG1 3.41Å; I75-I111 HydrophobicContact CD1-CG2 4Å; I75-I111 HydrophobicContact CG1-CG2 4.34Å; V107-I111 HydrophobicContact CG1-CB 4.32Å; P108-I111 HydrophobicContact CB-CG1 3.96Å; P108-I111 HydrophobicContact CG-CG1 4.15Å; P108-I111 VanDerWaalsContact O-CB 3.27Å; P108-I111 WeakPolarHBondContact O-CB 3.44Å; P108-I111 WeakPolarHBondContact O-CG1 3.28Å; P108-I111 PolarHBondContact O-N 3.45Å; R109-I111 PolarHBondContact O-N 3.35Å; R109-I111 VanDerWaalsContact O-N 3.07Å; I111-L113 PolarHBondContact O-N 3.44Å; I111-F156 HydrophobicContact CD1-CE1 3.95Å; I111-F156 HydrophobicContact CD1-CZ 3.79Å; I111-F156 HydrophobicContact CG2-CE1 4.37Å; I111-W157 PolarHBondContact O-NE1 3.24Å; I111-P264 HydrophobicContact CG2-CG 4.5Å
112A93.9Very high85.3Confident0 Ų042.6 Ų42.60%021%0.21CC..SBendtrans-63.4132.117600000110.5R109 T114 H117 L245 A261 F262R109-A112 WeakPolarHBondContact O-CB 3.25Å; R109-A112 PolarHBondContact O-N 3Å; R109-A112 VanDerWaalsContact O-N 3.09Å; A112-T114 HydrophobicContact CB-CG2 4.36Å; A112-T114 PolarHBondContact O-N 2.92Å; A112-H117 PolarHBondContact O-CE1 3.4Å; A112-H117 PolarHBondContact O-ND1 2.86Å; A112-L245 HydrophobicContact CB-CD1 4.09Å; A112-L245 HydrophobicContact CB-CD2 4.45Å; A112-A261 HydrophobicContact CB-CB 4.1Å; A112-F262 CarbonylContact C-O 3.56Å; A112-F262 VanDerWaalsContact CA-O 3.25Å; A112-F262 WeakPolarHBondContact CA-O 3.36Å; A112-F262 WeakPolarHBondContact CB-O 3.3Å
113L92.7Very high83.8Confident0 Ų039.5 Ų39.50%020%0.197CC..EExtended strand (participates in β ladder)trans-79.3112175.6172.161.5000108.5I111 L142 L146 E149 W157 A261 F262I111-L113 PolarHBondContact O-N 3.44Å; L113-L142 WeakPolarHBondContact O-CD1 3.19Å; L113-L146 HydrophobicContact CD2-CD1 4.3Å; L113-E149 HydrophobicContact CD1-CG 4.07Å; L113-W157 HydrophobicContact CB-CD2 4.25Å; L113-W157 HydrophobicContact CB-CG 4.24Å; L113-W157 HydrophobicContact CD1-CD2 3.88Å; L113-W157 HydrophobicContact CD1-CE3 3.91Å; L113-W157 HydrophobicContact CD1-CH2 4.21Å; L113-W157 HydrophobicContact CD1-CZ2 4.16Å; L113-W157 HydrophobicContact CD1-CZ3 4.07Å; L113-A261 VanDerWaalsContact O-CA 3.27Å; L113-A261 WeakPolarHBondContact O-CA 3.37Å; L113-F262 HydrophobicContact CB-CB 4.2Å; L113-F262 HydrophobicContact CB-CD2 4.41Å; L113-F262 HydrophobicContact CD2-CD2 3.95Å; L113-F262 HydrophobicContact CG-CD2 4.24Å; L113-F262 PolarHBondContact N-O 3.03Å; L113-F262 PolarHBondContact O-N 3.26Å
114T88.1Confident82.4Confident3 Ų336.6 Ų36.62%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-123.3169.5-179.1790000111.1A112 R116 H117 L245 D258 A261A112-T114 HydrophobicContact CB-CG2 4.36Å; A112-T114 PolarHBondContact O-N 2.92Å; T114-R116 VanDerWaalsContact C-N 3.28Å; T114-R116 PolarHBondContact O-N 3.19Å; T114-R116 PolarHBondContact OG1-N 3Å; T114-H117 PolarHBondContact N-ND1 3.24Å; T114-H117 PolarHBondContact O-N 2.65Å; T114-H117 PolarHBondContact OG1-ND1 3.45Å; T114-L245 HydrophobicContact CG2-CD1 3.75Å; T114-D258 VanDerWaalsContact CB-OD1 3.31Å; T114-D258 WeakPolarHBondContact CB-OD1 3.36Å; T114-D258 PolarHBondContact OG1-OD1 3.29Å; T114-A261 HydrophobicContact CG2-CB 3.66Å
115L79.7Confident81Confident20 Ų2037 Ų3711%0.10518%0.183CC..THydrogen-bonded Turntrans-62.6-34.8174.5-166.563.1000112.9H117 L118 E119 L128 S141 R257L115-H117 PolarHBondContact O-N 3.09Å; L115-L118 HydrophobicContact CD1-CD1 3.96Å; L115-L118 WeakPolarHBondContact O-CD1 3.11Å; L115-L118 PolarHBondContact O-N 2.89Å; L115-E119 PolarHBondContact O-N 3.44Å; L115-L128 HydrophobicContact CD1-CD1 3.51Å; L115-L128 HydrophobicContact CD1-CD2 3.85Å; L115-L128 HydrophobicContact CD1-CG 4.3Å; L115-L128 HydrophobicContact CD2-CD1 3.96Å; L115-L128 HydrophobicContact CD2-CD2 4.22Å; L115-L128 HydrophobicContact CG-CD1 3.68Å; L115-L128 HydrophobicContact CG-CD2 4.47Å; L115-S141 WeakPolarHBondContact CD1-O 3.47Å; L115-R257 WeakPolarHBondContact CB-O 3.24Å
116R76.3Confident79.5Confident72 Ų7242.9 Ų42.927%0.27221%0.209SC..Hα-helixtrans-61.1-32.5-177-173.7177.1-175.2179.35.6113.2T114 L118 E119 R120 F255 D258T114-R116 VanDerWaalsContact C-N 3.28Å; T114-R116 PolarHBondContact O-N 3.19Å; T114-R116 PolarHBondContact OG1-N 3Å; R116-L118 PolarHBondContact O-N 3.49Å; R116-E119 PolarHBondContact O-N 3.36Å; R116-R120 PolarHBondContact O-N 3.31Å; R116-F255 VanDerWaalsContact NH1-CE1 3.34Å; R116-D258 WeakPolarHBondContact CB-OD1 3.32Å; R116-D258 WeakPolarHBondContact CD-OD2 3.44Å; R116-D258 IonicContact CZ-OD2 3.97Å; R116-D258 IonicContact NE-OD2 2.82Å; R116-D258 IonicContact NH1-OD2 3.94Å; R116-D258 PolarHBondContact NH1-OD2 3.27Å
117H72.9Confident78Confident37 Ų3741.7 Ų41.717%0.17120%0.201CC..Hα-helixtrans-59.4-28.6177.4-72.894.9000112.4P110 A112 T114 L115 W157P110-H117 PolarHBondContact O-NE2 3.24Å; A112-H117 PolarHBondContact O-CE1 3.4Å; A112-H117 PolarHBondContact O-ND1 2.86Å; T114-H117 PolarHBondContact N-ND1 3.24Å; T114-H117 PolarHBondContact O-N 2.65Å; T114-H117 PolarHBondContact OG1-ND1 3.45Å; L115-H117 PolarHBondContact O-N 3.09Å; H117-W157 HydrophobicContact CB-CH2 3.6Å; H117-W157 HydrophobicContact CB-CZ2 4.24Å; H117-W157 HydrophobicContact CB-CZ3 4.38Å; H117-W157 AromaticContact CD2-CH2 3.52Å; H117-W157 AromaticContact CD2-CZ2 3.67Å; H117-W157 AromaticContact CG-CH2 3.54Å; H117-W157 AromaticContact CG-CZ2 3.74Å
118L68.5Low76.7Confident0 Ų041.9 Ų41.90%020%0.202CC..Hα-helixtrans-97-24.3-176.4-41.2126.8000112L115 R116 R120 R121 L124 A145 Y148 E149L115-L118 HydrophobicContact CD1-CD1 3.96Å; L115-L118 WeakPolarHBondContact O-CD1 3.11Å; L115-L118 PolarHBondContact O-N 2.89Å; R116-L118 PolarHBondContact O-N 3.49Å; L118-R120 PolarHBondContact O-N 3.49Å; L118-R121 CarbonylContact O-C 3.59Å; L118-R121 WeakPolarHBondContact O-CA 3.42Å; L118-R121 WeakPolarHBondContact O-CB 3.29Å; L118-R121 PolarHBondContact O-N 2.97Å; L118-L124 HydrophobicContact CB-CB 4.06Å; L118-L124 HydrophobicContact CB-CD2 3.51Å; L118-L124 HydrophobicContact CB-CG 4.36Å; L118-L124 HydrophobicContact CD1-CD2 3.55Å; L118-L124 HydrophobicContact CD2-CD2 3.9Å; L118-L124 HydrophobicContact CG-CD2 3.83Å; L118-A145 VanDerWaalsContact CD1-CA 3.42Å; L118-A145 HydrophobicContact CD1-CB 3.05Å; L118-A145 HydrophobicContact CD2-CB 4.19Å; L118-A145 HydrophobicContact CG-CB 4.14Å; L118-Y148 HydrophobicContact CD2-CD1 3.36Å; L118-Y148 HydrophobicContact CD2-CE1 4.1Å; L118-Y148 HydrophobicContact CD2-CG 4.11Å; L118-E149 HydrophobicContact CD2-CG 3.97Å
119E66.7Low75.4Confident60 Ų6047.9 Ų47.928%0.2823%0.226SC..Hα-helixtrans-62.3-28.8171.5-68-170.7154.200111.9L115 R116 R121 L128 R257L115-E119 PolarHBondContact O-N 3.44Å; R116-E119 PolarHBondContact O-N 3.36Å; E119-R121 PolarHBondContact O-N 3.07Å; E119-L128 HydrophobicContact CG-CD1 3.81Å; E119-R257 WeakPolarHBondContact OE1-CD 3.31Å; E119-R257 IonicContact OE1-CZ 3.84Å; E119-R257 IonicContact OE1-NE 3.8Å; E119-R257 IonicContact OE1-NH1 3.01Å; E119-R257 PolarHBondContact OE1-NH1 2.8Å
120R67.2Low74Confident170 Ų17049.7 Ų49.764%0.64224%0.243SC*.THydrogen-bonded Turntrans-69.5-7.9170.5-64.6178.2179.7164.50.3112.9R116 L118R116-R120 PolarHBondContact O-N 3.31Å; L118-R120 PolarHBondContact O-N 3.49Å
121R67.3Low72.9Confident128 Ų12846.2 Ų46.248%0.48322%0.222SC..SBendtrans-110.7125.1177.9-55.8-62-171.2169.82.1109.1L118 E119 G123 A125L118-R121 CarbonylContact O-C 3.59Å; L118-R121 WeakPolarHBondContact O-CA 3.42Å; L118-R121 WeakPolarHBondContact O-CB 3.29Å; L118-R121 PolarHBondContact O-N 2.97Å; E119-R121 PolarHBondContact O-N 3.07Å; R121-G123 PolarHBondContact O-N 2.82Å; R121-G123 VanDerWaalsContact O-N 3.08Å; R121-A125 PolarHBondContact O-N 2.84Å
122S63.2Low71.6Confident104 Ų10449.6 Ų49.673%0.72724%0.244SC*.Hα-helixtrans-57-30.9-168.650.10000115.1
123G64.4Low70.2Confident4 Ų452.2 Ų52.24%0.04126%0.258CS..Hα-helixtrans-68.8-57.7-175.900000114.2R121 K126R121-G123 PolarHBondContact O-N 2.82Å; R121-G123 VanDerWaalsContact O-N 3.08Å; G123-K126 PolarHBondContact O-N 3.39Å
124L68Low68.8Low0 Ų052.5 Ų52.50%026%0.26CS..Hα-helixtrans-75.5-26.3-177.3-156.970.3000112.4L118 K126 I127 L128 I221L118-L124 HydrophobicContact CB-CB 4.06Å; L118-L124 HydrophobicContact CB-CD2 3.51Å; L118-L124 HydrophobicContact CB-CG 4.36Å; L118-L124 HydrophobicContact CD1-CD2 3.55Å; L118-L124 HydrophobicContact CD2-CD2 3.9Å; L118-L124 HydrophobicContact CG-CD2 3.83Å; L124-K126 PolarHBondContact O-N 3.08Å; L124-I127 HydrophobicContact CD1-CB 4.06Å; L124-I127 HydrophobicContact CD1-CD1 3.56Å; L124-I127 HydrophobicContact CD1-CG1 4.3Å; L124-I127 HydrophobicContact CD1-CG2 4.12Å; L124-I127 WeakPolarHBondContact O-CA 3.49Å; L124-I127 VanDerWaalsContact O-CB 3.3Å; L124-I127 WeakPolarHBondContact O-CB 3.48Å; L124-I127 PolarHBondContact O-N 3.43Å; L124-L128 HydrophobicContact CG-CD1 4.48Å; L124-L128 HydrophobicContact CG-CG 4.42Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 3.25Å; L124-I221 HydrophobicContact CD1-CD1 3.74Å
125A68.4Low67.6Low14 Ų1458.6 Ų58.612%0.11629%0.286CS..Hα-helixtrans-58.4-36.2174.300000112.5R121 K129R121-A125 PolarHBondContact O-N 2.84Å; A125-K129 WeakPolarHBondContact O-CB 3.5Å; A125-K129 WeakPolarHBondContact O-CD 3.36Å; A125-K129 VanDerWaalsContact O-CG 3.23Å; A125-K129 WeakPolarHBondContact O-CG 3.23Å; A125-K129 PolarHBondContact O-N 3.17Å
126K67.2Low66.6Low125 Ų12564.5 Ų64.554%0.54332%0.317SS..Hα-helixtrans-65.2-43.8173.2-72.9-175.3175.9-171.60111.3G123 L124 L128 K129 A130 L216G123-K126 PolarHBondContact O-N 3.39Å; L124-K126 PolarHBondContact O-N 3.08Å; K126-L128 PolarHBondContact O-N 2.99Å; K126-K129 PolarHBondContact O-N 3.24Å; K126-A130 WeakPolarHBondContact O-CB 3.36Å; K126-A130 PolarHBondContact O-N 2.8Å; K126-L216 HydrophobicContact CB-CD2 3.96Å
127I66.2Low66.7Low0 Ų063 Ų630%032%0.316CS..Hα-helixtrans-57.9-51.3178.9-66.5-179.6000111.1L124 K129 A130 L134 L144 F209 L216 I221L124-I127 HydrophobicContact CD1-CB 4.06Å; L124-I127 HydrophobicContact CD1-CD1 3.56Å; L124-I127 HydrophobicContact CD1-CG1 4.3Å; L124-I127 HydrophobicContact CD1-CG2 4.12Å; L124-I127 WeakPolarHBondContact O-CA 3.49Å; L124-I127 VanDerWaalsContact O-CB 3.3Å; L124-I127 WeakPolarHBondContact O-CB 3.48Å; L124-I127 PolarHBondContact O-N 3.43Å; I127-K129 PolarHBondContact O-N 3.03Å; I127-A130 WeakPolarHBondContact O-CB 3.36Å; I127-A130 PolarHBondContact O-N 3.23Å; I127-A130 VanDerWaalsContact O-N 3.08Å; I127-L134 HydrophobicContact CG2-CD1 3.49Å; I127-L134 VanDerWaalsContact CG2-CD1 3.49Å; I127-L134 WeakPolarHBondContact O-CD1 3.5Å; I127-L144 HydrophobicContact CG2-CD1 4.4Å; I127-F209 HydrophobicContact CB-CE1 4.06Å; I127-F209 HydrophobicContact CB-CZ 4.17Å; I127-F209 HydrophobicContact CD1-CD1 4.44Å; I127-F209 HydrophobicContact CD1-CE1 3.54Å; I127-F209 HydrophobicContact CD1-CE2 4.25Å; I127-F209 HydrophobicContact CD1-CZ 3.42Å; I127-F209 VanDerWaalsContact CD1-CZ 3.42Å; I127-F209 HydrophobicContact CG1-CD1 4.47Å; I127-F209 HydrophobicContact CG1-CE1 3.47Å; I127-F209 VanDerWaalsContact CG1-CE1 3.47Å; I127-F209 HydrophobicContact CG1-CZ 3.78Å; I127-F209 HydrophobicContact CG2-CE1 3.67Å; I127-F209 HydrophobicContact CG2-CZ 3.43Å; I127-F209 VanDerWaalsContact CG2-CZ 3.43Å; I127-L216 HydrophobicContact CG1-CD2 4.2Å; I127-I221 HydrophobicContact CD1-CD1 3.72Å; I127-I221 HydrophobicContact CD1-CG1 4.19Å
128L68.8Low67.2Low5 Ų563.3 Ų63.33%0.02633%0.329CS..Hα-helixtrans-66.6-26.4-177.7-62.8170.4000112.6L115 E119 L124 K126 L134L115-L128 HydrophobicContact CD1-CD1 3.51Å; L115-L128 HydrophobicContact CD1-CD2 3.85Å; L115-L128 HydrophobicContact CD1-CG 4.3Å; L115-L128 HydrophobicContact CD2-CD1 3.96Å; L115-L128 HydrophobicContact CD2-CD2 4.22Å; L115-L128 HydrophobicContact CG-CD1 3.68Å; L115-L128 HydrophobicContact CG-CD2 4.47Å; E119-L128 HydrophobicContact CG-CD1 3.81Å; L124-L128 HydrophobicContact CG-CD1 4.48Å; L124-L128 HydrophobicContact CG-CG 4.42Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 3.25Å; K126-L128 PolarHBondContact O-N 2.99Å; L128-L134 HydrophobicContact CD2-CB 4.23Å; L128-L134 HydrophobicContact CD2-CD1 4.49Å
129K68.9Low68.2Low157 Ų15765.5 Ų65.568%0.68334%0.342SS*.Hα-helixtrans-78.1-28.4174.2-72.5174.9-176.6-176.70112.6A125 K126 I127 G131A125-K129 WeakPolarHBondContact O-CB 3.5Å; A125-K129 WeakPolarHBondContact O-CD 3.36Å; A125-K129 VanDerWaalsContact O-CG 3.23Å; A125-K129 WeakPolarHBondContact O-CG 3.23Å; A125-K129 PolarHBondContact O-N 3.17Å; K126-K129 PolarHBondContact O-N 3.24Å; I127-K129 PolarHBondContact O-N 3.03Å; K129-G131 PolarHBondContact O-N 2.95Å
130A62.9Low69.3Low53 Ų5362.6 Ų62.644%0.43833%0.329SS..Hα-helixtrans-75-21.2-169.500000115.2K126 I127 L216K126-A130 WeakPolarHBondContact O-CB 3.36Å; K126-A130 PolarHBondContact O-N 2.8Å; I127-A130 WeakPolarHBondContact O-CB 3.36Å; I127-A130 PolarHBondContact O-N 3.23Å; I127-A130 VanDerWaalsContact O-N 3.08Å; A130-L216 HydrophobicContact CB-CD1 4.41Å; A130-L216 HydrophobicContact CB-CD2 4.39Å
131G66.5Low70.2Confident2 Ų254.6 Ų54.62%0.02130%0.299CS..  trans-137.2133.2-169.600000115K129 L133 L134K129-G131 PolarHBondContact O-N 2.95Å; G131-L133 VanDerWaalsContact C-N 3.26Å; G131-L133 PolarHBondContact O-N 2.87Å; G131-L134 PolarHBondContact O-N 2.83Å
132P66.1Low71.3Confident87 Ų8748.7 Ų48.757%0.56528%0.276SS*.Hα-helixtrans-57.2-38.4172.9-21.831.2000112.9L134 K135 L136P132-L134 VanDerWaalsContact C-N 3.29Å; P132-L134 PolarHBondContact O-N 2.81Å; P132-K135 WeakPolarHBondContact O-CB 2.97Å; P132-K135 PolarHBondContact O-N 3.45Å; P132-K135 VanDerWaalsContact O-N 3.08Å; P132-L136 WeakPolarHBondContact O-CG 3.16Å; P132-L136 PolarHBondContact O-N 3.48Å
133L63.3Low72.7Confident55 Ų5543.7 Ų43.729%0.28824%0.242SC..Hα-helixtrans-58.2-40.3-176.9-159.188.6000112.5G131 K135 L136 V137 Q201 Y204G131-L133 VanDerWaalsContact C-N 3.26Å; G131-L133 PolarHBondContact O-N 2.87Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-L136 PolarHBondContact O-N 3.42Å; L133-V137 PolarHBondContact O-N 3.36Å; L133-V137 VanDerWaalsContact O-N 3.16Å; L133-Q201 HydrophobicContact CD2-CG 4.08Å; L133-Y204 HydrophobicContact CB-CD1 4.32Å; L133-Y204 HydrophobicContact CB-CE1 3.95Å; L133-Y204 HydrophobicContact CD2-CD1 3.73Å; L133-Y204 HydrophobicContact CD2-CE1 4.23Å; L133-Y204 HydrophobicContact CD2-CG 4.2Å
134L63.3Low73.8Confident6 Ų643.5 Ų43.53%0.03124%0.24CC..Hα-helixtrans-75.1-23.6-179-60.8-179.8000112.5I127 L128 G131 P132 T140 S141 L144 I205I127-L134 HydrophobicContact CG2-CD1 3.49Å; I127-L134 VanDerWaalsContact CG2-CD1 3.49Å; I127-L134 WeakPolarHBondContact O-CD1 3.5Å; L128-L134 HydrophobicContact CD2-CB 4.23Å; L128-L134 HydrophobicContact CD2-CD1 4.49Å; G131-L134 PolarHBondContact O-N 2.83Å; P132-L134 VanDerWaalsContact C-N 3.29Å; P132-L134 PolarHBondContact O-N 2.81Å; L134-T140 HydrophobicContact CD2-CG2 3.86Å; L134-S141 PolarHBondContact O-OG 3.37Å; L134-L144 HydrophobicContact CD1-CD1 4.04Å; L134-L144 HydrophobicContact CD2-CD1 3.52Å; L134-L144 HydrophobicContact CG-CD1 4.44Å; L134-I205 HydrophobicContact CD2-CD1 4.12Å; L134-I205 HydrophobicContact CD2-CG1 4.47Å
135K63.1Low74.8Confident132 Ų13243.5 Ų43.557%0.57424%0.24SC*.Hα-helixtrans-75.6-27.5172.1-66-179.6-178.1173.40112.1P132 L133P132-K135 WeakPolarHBondContact O-CB 2.97Å; P132-K135 PolarHBondContact O-N 3.45Å; P132-K135 VanDerWaalsContact O-N 3.08Å; L133-K135 VanDerWaalsContact C-N 3.32Å
136L60.3Low76Confident143 Ų14342.9 Ų42.975%0.74923%0.234SC*.Hα-helixtrans-95.1-25.5-171.8-66.8170.6000114P132 L133P132-L136 WeakPolarHBondContact O-CG 3.16Å; P132-L136 PolarHBondContact O-N 3.48Å; L133-L136 PolarHBondContact O-N 3.42Å
137V77.8Confident77.2Confident41 Ų4137.2 Ų37.225%0.24821%0.21CC..  trans-116.993.5-174.2-168.20000111.1L133 T139 T140 S141L133-V137 PolarHBondContact O-N 3.36Å; L133-V137 VanDerWaalsContact O-N 3.16Å; V137-T139 VanDerWaalsContact C-N 3.26Å; V137-T139 WeakPolarHBondContact CG1-OG1 3.19Å; V137-T139 PolarHBondContact O-N 3.09Å; V137-T140 VanDerWaalsContact CG1-OG1 3.24Å; V137-T140 WeakPolarHBondContact CG1-OG1 3.4Å; V137-T140 PolarHBondContact O-N 2.91Å; V137-T140 VanDerWaalsContact O-N 3.16Å; V137-S141 PolarHBondContact O-N 3.14Å
138G83.6Confident78.2Confident43 Ų4338.5 Ų38.544%0.44322%0.215SC..Hα-helixtrans-57.2-34.5-177.500000114.3S141 L142G138-S141 PolarHBondContact O-N 3.45Å; G138-L142 PolarHBondContact O-N 2.92Å
139T89.8Confident79.3Confident46 Ų4638.5 Ų38.528%0.28222%0.215SC..Hα-helixtrans-66.7-41.4177.348.40000112.6V137 S141 L142 A143 A238 L260V137-T139 VanDerWaalsContact C-N 3.26Å; V137-T139 WeakPolarHBondContact CG1-OG1 3.19Å; V137-T139 PolarHBondContact O-N 3.09Å; T139-S141 VanDerWaalsContact C-N 3.32Å; T139-S141 PolarHBondContact O-N 3.49Å; T139-L142 PolarHBondContact O-N 2.91Å; T139-A143 WeakPolarHBondContact O-CB 3.43Å; T139-A143 PolarHBondContact O-N 3.4Å; T139-A238 WeakPolarHBondContact O-CB 3.27Å; T139-L260 HydrophobicContact CG2-CD2 3.76Å
140T89.5Confident80.4Confident0 Ų032.6 Ų32.60%019%0.192CC..Hα-helixtrans-63.1-41.8175.4-51.30000111.2L134 V137 A143 L144 Q201 I205 F231 M235L134-T140 HydrophobicContact CD2-CG2 3.86Å; V137-T140 VanDerWaalsContact CG1-OG1 3.24Å; V137-T140 WeakPolarHBondContact CG1-OG1 3.4Å; V137-T140 PolarHBondContact O-N 2.91Å; V137-T140 VanDerWaalsContact O-N 3.16Å; T140-A143 WeakPolarHBondContact O-CB 3.27Å; T140-A143 PolarHBondContact O-N 3.43Å; T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 2.98Å; T140-Q201 PolarHBondContact OG1-NE2 2.9Å; T140-Q201 PolarHBondContact OG1-OE1 3.4Å; T140-I205 HydrophobicContact CG2-CD1 3.81Å; T140-F231 HydrophobicContact CG2-CE2 4.39Å; T140-F231 HydrophobicContact CG2-CZ 4.21Å; T140-M235 HydrophobicContact CG2-SD 4.35Å
141S86.1Confident81.7Confident2 Ų233 Ų331%0.01418%0.184CC..Hα-helixtrans-63.6-41.1176.4-71.70000112.1L115 L134 V137 G138 T139 L144 A145L115-S141 WeakPolarHBondContact CD1-O 3.47Å; L134-S141 PolarHBondContact O-OG 3.37Å; V137-S141 PolarHBondContact O-N 3.14Å; G138-S141 PolarHBondContact O-N 3.45Å; T139-S141 VanDerWaalsContact C-N 3.32Å; T139-S141 PolarHBondContact O-N 3.49Å; S141-L144 PolarHBondContact O-N 2.87Å; S141-A145 PolarHBondContact O-N 2.9Å
142L90Very high82.8Confident3 Ų335 Ų352%0.01619%0.191CC..Hα-helixtrans-67.4-34.8173.7-171.168.3000112.7L113 G138 T139 A145 L146 A238 L260 F262L113-L142 WeakPolarHBondContact O-CD1 3.19Å; G138-L142 PolarHBondContact O-N 2.92Å; T139-L142 PolarHBondContact O-N 2.91Å; L142-A145 VanDerWaalsContact O-CB 3.24Å; L142-A145 WeakPolarHBondContact O-CB 3.24Å; L142-A145 PolarHBondContact O-N 3.03Å; L142-L146 PolarHBondContact O-N 3.5Å; L142-L146 VanDerWaalsContact O-N 3.09Å; L142-A238 HydrophobicContact CB-CB 4.25Å; L142-A238 HydrophobicContact CD2-CB 4.19Å; L142-A238 HydrophobicContact CG-CB 4.34Å; L142-L260 HydrophobicContact CB-CD2 4.14Å; L142-L260 HydrophobicContact CD2-CD2 3.76Å; L142-L260 HydrophobicContact CD2-CG 3.84Å; L142-F262 HydrophobicContact CD1-CD2 3.77Å; L142-F262 HydrophobicContact CD1-CE2 3.89Å; L142-F262 HydrophobicContact CD2-CD2 3.94Å; L142-F262 HydrophobicContact CD2-CE2 3.74Å; L142-F262 HydrophobicContact CD2-CG 4.44Å; L142-F262 HydrophobicContact CD2-CZ 4.07Å; L142-F262 HydrophobicContact CG-CD2 3.82Å; L142-F262 HydrophobicContact CG-CE2 3.46Å; L142-F262 VanDerWaalsContact CG-CE2 3.46Å; L142-F262 HydrophobicContact CG-CZ 4.15Å
143A92.3Very high83.8Confident0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-65-42.9173.900000111.8T139 T140 A145 L146 L147 A234 M235 A238T139-A143 WeakPolarHBondContact O-CB 3.43Å; T139-A143 PolarHBondContact O-N 3.4Å; T140-A143 WeakPolarHBondContact O-CB 3.27Å; T140-A143 PolarHBondContact O-N 3.43Å; A143-A145 VanDerWaalsContact C-N 3.3Å; A143-A145 PolarHBondContact O-N 2.81Å; A143-L146 PolarHBondContact O-N 3.05Å; A143-L147 PolarHBondContact O-N 3.28Å; A143-A234 HydrophobicContact CB-CB 3.97Å; A143-A234 WeakPolarHBondContact CB-O 3.48Å; A143-A234 WeakPolarHBondContact O-CB 3.14Å; A143-M235 HydrophobicContact CB-CG 3.99Å; A143-M235 HydrophobicContact CB-SD 3.51Å; A143-M235 VanDerWaalsContact CB-SD 3.51Å; A143-A238 HydrophobicContact CB-CB 4.13Å
144L88.6Confident85.1Confident0 Ų042.7 Ų42.70%022%0.218CC..Hα-helixtrans-63.9-36.6174.9-70.1177.6000112.2I127 L134 T140 S141 L147 Y148 I205 F226 F231I127-L144 HydrophobicContact CG2-CD1 4.4Å; L134-L144 HydrophobicContact CD1-CD1 4.04Å; L134-L144 HydrophobicContact CD2-CD1 3.52Å; L134-L144 HydrophobicContact CG-CD1 4.44Å; T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 2.98Å; S141-L144 PolarHBondContact O-N 2.87Å; L144-L147 PolarHBondContact O-N 2.94Å; L144-Y148 VanDerWaalsContact O-CB 3.3Å; L144-Y148 WeakPolarHBondContact O-CB 3.32Å; L144-Y148 PolarHBondContact O-N 3.38Å; L144-I205 HydrophobicContact CD1-CD1 4.35Å; L144-F226 HydrophobicContact CD2-CD2 4.35Å; L144-F226 HydrophobicContact CD2-CE2 3.57Å; L144-F226 HydrophobicContact CD2-CZ 4.37Å; L144-F231 HydrophobicContact CD2-CD2 4.46Å; L144-F231 HydrophobicContact CD2-CE2 4.27Å
145A88.5Confident86.5Confident0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-55.4-52.1171.800000112.3L118 S141 L142 A143 L147 Y148 E149L118-A145 VanDerWaalsContact CD1-CA 3.42Å; L118-A145 HydrophobicContact CD1-CB 3.05Å; L118-A145 HydrophobicContact CD2-CB 4.19Å; L118-A145 HydrophobicContact CG-CB 4.14Å; S141-A145 PolarHBondContact O-N 2.9Å; L142-A145 VanDerWaalsContact O-CB 3.24Å; L142-A145 WeakPolarHBondContact O-CB 3.24Å; L142-A145 PolarHBondContact O-N 3.03Å; A143-A145 VanDerWaalsContact C-N 3.3Å; A143-A145 PolarHBondContact O-N 2.81Å; A145-L147 PolarHBondContact O-N 3.27Å; A145-Y148 PolarHBondContact O-N 2.97Å; A145-E149 PolarHBondContact O-N 3.41Å
146L93.1Very high88Confident0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-60.4-47.4-179.6177.458.9000111.1L113 L142 A143 Y148 E149 T150 I161 L164 W233 A234 M237 F262L113-L146 HydrophobicContact CD2-CD1 4.3Å; L142-L146 PolarHBondContact O-N 3.5Å; L142-L146 VanDerWaalsContact O-N 3.09Å; A143-L146 PolarHBondContact O-N 3.05Å; L146-Y148 VanDerWaalsContact C-N 3.34Å; L146-Y148 PolarHBondContact O-N 3.37Å; L146-E149 PolarHBondContact O-N 3.03Å; L146-T150 WeakPolarHBondContact O-CB 3.36Å; L146-T150 PolarHBondContact O-N 3.37Å; L146-T150 PolarHBondContact O-OG1 3.08Å; L146-I161 HydrophobicContact CD1-CD1 4.1Å; L146-I161 HydrophobicContact CD1-CG1 3.78Å; L146-I161 HydrophobicContact CD1-CG2 4.38Å; L146-L164 HydrophobicContact CD1-CD1 3.72Å; L146-L164 HydrophobicContact CD2-CD1 4.03Å; L146-W233 HydrophobicContact CD1-CH2 3.9Å; L146-W233 HydrophobicContact CD1-CZ3 4.42Å; L146-W233 HydrophobicContact CD2-CE3 4.43Å; L146-W233 HydrophobicContact CD2-CH2 3.62Å; L146-W233 HydrophobicContact CD2-CZ2 4.11Å; L146-W233 HydrophobicContact CD2-CZ3 3.78Å; L146-W233 HydrophobicContact CG-CH2 3.64Å; L146-W233 HydrophobicContact CG-CZ3 3.72Å; L146-A234 HydrophobicContact CD2-CB 4.21Å; L146-M237 HydrophobicContact CD2-CB 3.57Å; L146-M237 HydrophobicContact CD2-CG 3.95Å; L146-F262 HydrophobicContact CB-CE2 3.9Å; L146-F262 HydrophobicContact CB-CZ 4.41Å; L146-F262 HydrophobicContact CD2-CE2 4.01Å; L146-F262 HydrophobicContact CD2-CZ 3.73Å; L146-F262 HydrophobicContact CG-CE2 4.39Å
147L91.6Very high89.7Confident7 Ų735.2 Ų35.24%0.03718%0.181CC..Hα-helixtrans-59.4-45.1176.6-79.1-176.8000113A54 A143 L144 A145 T150 F151 F226 N230 F231 W233 A234A54-L147 HydrophobicContact CB-CD2 3.99Å; A143-L147 PolarHBondContact O-N 3.28Å; L144-L147 PolarHBondContact O-N 2.94Å; A145-L147 PolarHBondContact O-N 3.27Å; L147-T150 WeakPolarHBondContact O-CB 3.47Å; L147-T150 PolarHBondContact O-N 2.96Å; L147-F151 HydrophobicContact CD2-CE2 4.43Å; L147-F151 WeakPolarHBondContact O-CD2 3.48Å; L147-F151 PolarHBondContact O-N 3.16Å; L147-F226 HydrophobicContact CD1-CD2 3.85Å; L147-F226 HydrophobicContact CD1-CE2 3.98Å; L147-N230 HydrophobicContact CD2-CB 3.76Å; L147-N230 WeakPolarHBondContact CD2-O 3.31Å; L147-F231 HydrophobicContact CD1-CB 4.32Å; L147-F231 HydrophobicContact CD1-CD2 4.18Å; L147-W233 HydrophobicContact CD2-CE3 4.22Å; L147-W233 HydrophobicContact CD2-CZ3 4.22Å; L147-A234 HydrophobicContact CD1-CB 4.2Å; L147-A234 HydrophobicContact CD2-CB 3.91Å; L147-A234 HydrophobicContact CG-CB 3.55Å
148Y88.5Confident90.5Very high27 Ų2740.8 Ų40.811%0.10620%0.197CC..Hα-helixtrans-62.2-45.5-179.3178.1-96.6000111.4L118 L144 A145 L146 R152 S219 I221L118-Y148 HydrophobicContact CD2-CD1 3.36Å; L118-Y148 HydrophobicContact CD2-CE1 4.1Å; L118-Y148 HydrophobicContact CD2-CG 4.11Å; L144-Y148 VanDerWaalsContact O-CB 3.3Å; L144-Y148 WeakPolarHBondContact O-CB 3.32Å; L144-Y148 PolarHBondContact O-N 3.38Å; A145-Y148 PolarHBondContact O-N 2.97Å; L146-Y148 VanDerWaalsContact C-N 3.34Å; L146-Y148 PolarHBondContact O-N 3.37Å; Y148-R152 HydrophobicContact CE1-CG 4.45Å; Y148-R152 WeakPolarHBondContact O-CG 3.49Å; Y148-R152 PolarHBondContact OH-NH1 3.19Å; Y148-S219 WeakPolarHBondContact CE2-O 3.5Å; Y148-I221 HydrophobicContact CD2-CG1 4.19Å
149E90.7Very high91.1Very high5 Ų541 Ų412%0.02319%0.188CC..Hα-helixtrans-68-34.2177.4-73.4-59.2143.800112.8L113 L118 A145 L146 F151 R152 S155 W157 I161L113-E149 HydrophobicContact CD1-CG 4.07Å; L118-E149 HydrophobicContact CD2-CG 3.97Å; A145-E149 PolarHBondContact O-N 3.41Å; L146-E149 PolarHBondContact O-N 3.03Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 2.94Å; E149-R152 PolarHBondContact O-N 2.9Å; E149-R152 VanDerWaalsContact O-N 3.17Å; E149-R152 IonicContact OE1-NE 3.8Å; E149-R152 IonicContact OE2-NE 3.77Å; E149-S155 VanDerWaalsContact O-CB 3.24Å; E149-S155 WeakPolarHBondContact O-CB 3.47Å; E149-S155 PolarHBondContact O-OG 3.1Å; E149-S155 VanDerWaalsContact OE2-CB 3.24Å; E149-S155 WeakPolarHBondContact OE2-CB 3.27Å; E149-S155 PolarHBondContact OE2-OG 2.95Å; E149-W157 HydrophobicContact CG-CE3 3.76Å; E149-W157 HydrophobicContact CG-CZ3 4.06Å; E149-I161 HydrophobicContact CB-CD1 3.76Å
150T92.5Very high91.5Very high32 Ų3238.8 Ų38.820%0.19618%0.175CC..Hα-helixtrans-58.2-41.6-179.2-63.20000113A54 L146 L147 R152 I161A54-T150 HydrophobicContact CB-CG2 3.8Å; A54-T150 WeakPolarHBondContact O-CG2 3.39Å; L146-T150 WeakPolarHBondContact O-CB 3.36Å; L146-T150 PolarHBondContact O-N 3.37Å; L146-T150 PolarHBondContact O-OG1 3.08Å; L147-T150 WeakPolarHBondContact O-CB 3.47Å; L147-T150 PolarHBondContact O-N 2.96Å; T150-R152 VanDerWaalsContact C-N 3.34Å; T150-I161 HydrophobicContact CG2-CG2 4.19Å; T150-I161 WeakPolarHBondContact OG1-CG2 3.36Å
151F90.8Very high91.8Very high61 Ų6139.3 Ų39.327%0.26818%0.178SC..THydrogen-bonded Turntrans-90.52.9-177-68.6-72.3000113.8P52 A54 L147 E149 T225 N230P52-F151 HydrophobicContact CB-CE1 4.02Å; P52-F151 HydrophobicContact CG-CE1 3.9Å; A54-F151 HydrophobicContact CB-CE2 4.03Å; A54-F151 HydrophobicContact CB-CZ 4.01Å; L147-F151 HydrophobicContact CD2-CE2 4.43Å; L147-F151 WeakPolarHBondContact O-CD2 3.48Å; L147-F151 PolarHBondContact O-N 3.16Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 2.94Å; F151-T225 HydrophobicContact CB-CG2 3.97Å; F151-T225 HydrophobicContact CD1-CG2 3.61Å; F151-T225 HydrophobicContact CD2-CG2 3.82Å; F151-T225 HydrophobicContact CE1-CG2 4.03Å; F151-T225 HydrophobicContact CE2-CG2 4.2Å; F151-T225 WeakPolarHBondContact CE2-O 3.36Å; F151-T225 HydrophobicContact CG-CG2 3.5Å; F151-T225 VanDerWaalsContact CG-CG2 3.5Å; F151-T225 HydrophobicContact CZ-CG2 4.31Å; F151-N230 WeakPolarHBondContact CZ-ND2 3.48Å
152R88.8Confident92.3Very high46 Ų4640.5 Ų40.517%0.17419%0.188CC..  trans-85.7124.5174.7-78.4171.155.476.914.5110.9Y148 E149 T150 D154 S155Y148-R152 HydrophobicContact CE1-CG 4.45Å; Y148-R152 WeakPolarHBondContact O-CG 3.49Å; Y148-R152 PolarHBondContact OH-NH1 3.19Å; E149-R152 PolarHBondContact O-N 2.9Å; E149-R152 VanDerWaalsContact O-N 3.17Å; E149-R152 IonicContact OE1-NE 3.8Å; E149-R152 IonicContact OE2-NE 3.77Å; T150-R152 VanDerWaalsContact C-N 3.34Å; R152-D154 IonicContact CZ-OD1 3Å; R152-D154 IonicContact CZ-OD2 2.6Å; R152-D154 IonicContact NE-OD1 3.13Å; R152-D154 IonicContact NH1-OD1 2.68Å; R152-D154 IonicContact NH2-OD1 3.71Å; R152-D154 PolarHBondContact NH2-OD1 2.84Å; R152-D154 IonicContact NH2-OD2 2.96Å; R152-D154 PolarHBondContact NH2-OD2 2.92Å; R152-D154 PolarHBondContact O-N 3.32Å; R152-S155 PolarHBondContact O-N 3.33Å
153K88Confident92.6Very high192 Ų19240.5 Ų40.584%0.83519%0.188SC*.THydrogen-bonded Turntrans-65.1-30.5177.7-66.6-177.4179.5178.30112.8
154D90.4Very high92.8Very high110 Ų11040.6 Ų40.659%0.58819%0.188SC*.THydrogen-bonded Turntrans-103.821.3-178.367.6-34.5000112.4R152 F156R152-D154 IonicContact CZ-OD1 3Å; R152-D154 IonicContact CZ-OD2 2.6Å; R152-D154 IonicContact NE-OD1 3.13Å; R152-D154 IonicContact NH1-OD1 2.68Å; R152-D154 IonicContact NH2-OD1 3.71Å; R152-D154 PolarHBondContact NH2-OD1 2.84Å; R152-D154 IonicContact NH2-OD2 2.96Å; R152-D154 PolarHBondContact NH2-OD2 2.92Å; R152-D154 PolarHBondContact O-N 3.32Å; D154-F156 PolarHBondContact O-N 3.42Å
155S92Very high93Very high12 Ų1241.5 Ų41.58%0.08419%0.194CC..  trans-62.4130.6177.6-177.90000111.2E149 R152 W157 R158E149-S155 VanDerWaalsContact O-CB 3.24Å; E149-S155 WeakPolarHBondContact O-CB 3.47Å; E149-S155 PolarHBondContact O-OG 3.1Å; E149-S155 VanDerWaalsContact OE2-CB 3.24Å; E149-S155 WeakPolarHBondContact OE2-CB 3.27Å; E149-S155 PolarHBondContact OE2-OG 2.95Å; R152-S155 PolarHBondContact O-N 3.33Å; S155-W157 PolarHBondContact O-N 3.4Å; S155-W157 PolarHBondContact OG-N 2.97Å; S155-R158 WeakPolarHBondContact O-CB 3.25Å; S155-R158 PolarHBondContact O-N 3.4Å
156F94.3Very high93.2Very high96 Ų9642 Ų4242%0.42120%0.198SC..THydrogen-bonded Turntrans-63.1-33.3171.8176.8-105.8000111.6W69 A73 I111 D154 R158W69-F156 HydrophobicContact CZ2-CD1 4.12Å; W69-F156 AromaticContact CZ2-CE1 3.62Å; W69-F156 HydrophobicContact CZ2-CE1 3.62Å; W69-F156 AromaticContact CZ2-CZ 4Å; W69-F156 HydrophobicContact CZ2-CZ 4Å; W69-F156 PolarHBondContact NE1-O 3.29Å; A73-F156 HydrophobicContact CB-CZ 4.24Å; I111-F156 HydrophobicContact CD1-CE1 3.95Å; I111-F156 HydrophobicContact CD1-CZ 3.79Å; I111-F156 HydrophobicContact CG2-CE1 4.37Å; D154-F156 PolarHBondContact O-N 3.42Å; F156-R158 VanDerWaalsContact C-N 3.35Å
157W95.9Very high92.6Very high16 Ų1642.3 Ų42.36%0.06120%0.199CC..THydrogen-bonded Turntrans-91.69.6-177-61.8-85.1000113.7I111 L113 H117 E149 S155 D159 Y160 I161I111-W157 PolarHBondContact O-NE1 3.24Å; L113-W157 HydrophobicContact CB-CD2 4.25Å; L113-W157 HydrophobicContact CB-CG 4.24Å; L113-W157 HydrophobicContact CD1-CD2 3.88Å; L113-W157 HydrophobicContact CD1-CE3 3.91Å; L113-W157 HydrophobicContact CD1-CH2 4.21Å; L113-W157 HydrophobicContact CD1-CZ2 4.16Å; L113-W157 HydrophobicContact CD1-CZ3 4.07Å; H117-W157 HydrophobicContact CB-CH2 3.6Å; H117-W157 HydrophobicContact CB-CZ2 4.24Å; H117-W157 HydrophobicContact CB-CZ3 4.38Å; H117-W157 AromaticContact CD2-CH2 3.52Å; H117-W157 AromaticContact CD2-CZ2 3.67Å; H117-W157 AromaticContact CG-CH2 3.54Å; H117-W157 AromaticContact CG-CZ2 3.74Å; E149-W157 HydrophobicContact CG-CE3 3.76Å; E149-W157 HydrophobicContact CG-CZ3 4.06Å; S155-W157 PolarHBondContact O-N 3.4Å; S155-W157 PolarHBondContact OG-N 2.97Å; W157-D159 VanDerWaalsContact C-N 3.3Å; W157-D159 PolarHBondContact O-N 3.27Å; W157-Y160 HydrophobicContact CB-CD1 4.49Å; W157-Y160 WeakPolarHBondContact O-CB 3.42Å; W157-Y160 PolarHBondContact O-N 3.22Å; W157-I161 HydrophobicContact CB-CD1 4.07Å; W157-I161 HydrophobicContact CB-CG1 4.23Å; W157-I161 WeakPolarHBondContact O-CG1 3.44Å; W157-I161 PolarHBondContact O-N 3.48Å
158R95.7Very high92.2Very high158 Ų15846 Ų4660%0.59622%0.217SC*.Hα-helixtrans-51.5-46-174.2-176.8178.4178.8177.7-1.9113.3S155 F156 I161 A162S155-R158 WeakPolarHBondContact O-CB 3.25Å; S155-R158 PolarHBondContact O-N 3.4Å; F156-R158 VanDerWaalsContact C-N 3.35Å; R158-I161 PolarHBondContact O-N 3.24Å; R158-A162 WeakPolarHBondContact O-CB 3.46Å; R158-A162 PolarHBondContact O-N 3.46Å
159D96.7Very high92.1Very high47 Ų4748.4 Ų48.425%0.25123%0.229SC..Hα-helixtrans-72.9-30.5-178-63.6-57.2000112.4W69 W157W69-D159 HydrophobicContact CB-CB 3.82Å; W69-D159 HydrophobicContact CG-CB 4.03Å; W157-D159 VanDerWaalsContact C-N 3.3Å; W157-D159 PolarHBondContact O-N 3.27Å
160Y97.6Very high92.2Very high0 Ų048.3 Ų48.30%023%0.228CC..Hα-helixtrans-67.7-48.7170.5168.1-118.7000111.6F66 W157 A162 I163 L164 F262 P264 D267F66-Y160 AromaticContact CE2-CD2 3.82Å; F66-Y160 HydrophobicContact CE2-CD2 3.82Å; F66-Y160 HydrophobicContact CE2-CG 4.39Å; F66-Y160 HydrophobicContact CZ-CD2 4.38Å; W157-Y160 HydrophobicContact CB-CD1 4.49Å; W157-Y160 WeakPolarHBondContact O-CB 3.42Å; W157-Y160 PolarHBondContact O-N 3.22Å; Y160-A162 PolarHBondContact O-N 3.26Å; Y160-I163 HydrophobicContact CD2-CD1 3.87Å; Y160-I163 HydrophobicContact CD2-CG1 4.48Å; Y160-I163 HydrophobicContact CE2-CD1 4.08Å; Y160-I163 WeakPolarHBondContact O-CD1 3.49Å; Y160-I163 VanDerWaalsContact O-CG1 3.24Å; Y160-I163 WeakPolarHBondContact O-CG1 3.38Å; Y160-I163 PolarHBondContact O-N 3.39Å; Y160-L164 HydrophobicContact CE1-CD1 4.48Å; Y160-L164 HydrophobicContact CE1-CD2 4.44Å; Y160-L164 HydrophobicContact CE2-CD2 4.03Å; Y160-L164 PolarHBondContact O-N 3.22Å; Y160-F262 HydrophobicContact CE1-CB 3.8Å; Y160-F262 HydrophobicContact CE1-CG 4.33Å; Y160-F262 WeakPolarHBondContact OH-CB 3.48Å; Y160-P264 HydrophobicContact CD1-CB 4.35Å; Y160-P264 HydrophobicContact CD1-CG 3.85Å; Y160-P264 HydrophobicContact CD2-CB 3.61Å; Y160-P264 HydrophobicContact CD2-CG 4.03Å; Y160-P264 HydrophobicContact CE1-CG 4.06Å; Y160-P264 HydrophobicContact CE2-CB 3.95Å; Y160-P264 HydrophobicContact CE2-CG 4.23Å; Y160-P264 HydrophobicContact CG-CB 3.83Å; Y160-P264 HydrophobicContact CG-CG 3.83Å; Y160-D267 PolarHBondContact OH-OD2 3.39Å
161I96.7Very high92.2Very high12 Ų1246.9 Ų46.96%0.06222%0.22CC..Hα-helixtrans-58.5-37.4178.6-65.6169.9000110.5L146 E149 T150 W157 R158 I163 L164 W233L146-I161 HydrophobicContact CD1-CD1 4.1Å; L146-I161 HydrophobicContact CD1-CG1 3.78Å; L146-I161 HydrophobicContact CD1-CG2 4.38Å; E149-I161 HydrophobicContact CB-CD1 3.76Å; T150-I161 HydrophobicContact CG2-CG2 4.19Å; T150-I161 WeakPolarHBondContact OG1-CG2 3.36Å; W157-I161 HydrophobicContact CB-CD1 4.07Å; W157-I161 HydrophobicContact CB-CG1 4.23Å; W157-I161 WeakPolarHBondContact O-CG1 3.44Å; W157-I161 PolarHBondContact O-N 3.48Å; R158-I161 PolarHBondContact O-N 3.24Å; I161-I163 PolarHBondContact O-N 2.68Å; I161-L164 WeakPolarHBondContact O-CB 3.38Å; I161-L164 PolarHBondContact O-N 3.02Å; I161-L164 VanDerWaalsContact O-N 3.12Å; I161-W233 HydrophobicContact CG2-CH2 4.2Å
162A95.9Very high92.4Very high27 Ų2745.2 Ų45.222%0.22321%0.212CC..THydrogen-bonded Turntrans-66.2-14.6179.400000114.9N62 R158 Y160N62-A162 HydrophobicContact CB-CB 3.99Å; N62-A162 PolarHBondContact ND2-O 3.05Å; R158-A162 WeakPolarHBondContact O-CB 3.46Å; R158-A162 PolarHBondContact O-N 3.46Å; Y160-A162 PolarHBondContact O-N 3.26Å
163I96.3Very high92.6Very high3 Ų345.2 Ų45.22%0.01522%0.219CC..THydrogen-bonded Turntrans-104.1-0.7174.566.865000113.7R59 N62 M63 F66 Y160 I161 M268R59-I163 VanDerWaalsContact CD-O 3.31Å; R59-I163 WeakPolarHBondContact CD-O 3.4Å; R59-I163 PolarHBondContact NH1-O 3.49Å; N62-I163 HydrophobicContact CB-CG2 3.89Å; M63-I163 HydrophobicContact SD-CB 4.25Å; M63-I163 HydrophobicContact SD-CG2 3.84Å; F66-I163 HydrophobicContact CB-CG1 4.29Å; F66-I163 HydrophobicContact CB-CG2 3.69Å; F66-I163 HydrophobicContact CD1-CG1 3.95Å; F66-I163 HydrophobicContact CD1-CG2 4.45Å; F66-I163 HydrophobicContact CD2-CG1 3.74Å; F66-I163 HydrophobicContact CE1-CG1 4.2Å; F66-I163 HydrophobicContact CE2-CD1 4.37Å; F66-I163 HydrophobicContact CE2-CG1 4Å; F66-I163 HydrophobicContact CG-CG1 3.7Å; F66-I163 HydrophobicContact CG-CG2 4.02Å; F66-I163 HydrophobicContact CZ-CD1 4.33Å; F66-I163 HydrophobicContact CZ-CG1 4.2Å; Y160-I163 HydrophobicContact CD2-CD1 3.87Å; Y160-I163 HydrophobicContact CD2-CG1 4.48Å; Y160-I163 HydrophobicContact CE2-CD1 4.08Å; Y160-I163 WeakPolarHBondContact O-CD1 3.49Å; Y160-I163 VanDerWaalsContact O-CG1 3.24Å; Y160-I163 WeakPolarHBondContact O-CG1 3.38Å; Y160-I163 PolarHBondContact O-N 3.39Å; I161-I163 PolarHBondContact O-N 2.68Å; I163-M268 HydrophobicContact CD1-SD 4.42Å
164L96.2Very high92.9Very high2 Ų236.7 Ų36.71%0.0118%0.183CC..SBendtrans-65.8145.1173.1-70.8177.3000110.7R59 L146 Y160 I161 W233 M237R59-L164 WeakPolarHBondContact CD-O 3.32Å; L146-L164 HydrophobicContact CD1-CD1 3.72Å; L146-L164 HydrophobicContact CD2-CD1 4.03Å; Y160-L164 HydrophobicContact CE1-CD1 4.48Å; Y160-L164 HydrophobicContact CE1-CD2 4.44Å; Y160-L164 HydrophobicContact CE2-CD2 4.03Å; Y160-L164 PolarHBondContact O-N 3.22Å; I161-L164 WeakPolarHBondContact O-CB 3.38Å; I161-L164 PolarHBondContact O-N 3.02Å; I161-L164 VanDerWaalsContact O-N 3.12Å; L164-W233 HydrophobicContact CB-CZ2 4.14Å; L164-W233 HydrophobicContact CD1-CH2 4.34Å; L164-W233 HydrophobicContact CD1-CZ2 4Å; L164-M237 HydrophobicContact CB-SD 4.24Å; L164-M237 HydrophobicContact CD1-CG 4.43Å; L164-M237 HydrophobicContact CD2-SD 4.37Å
165P93.5Very high93.1Very high19 Ų1933.5 Ų33.512%0.12317%0.169CC..  trans-65.9158175.126.2-28.8000111.9W233 M237P165-W233 PolarHBondContact O-NE1 2.93Å; P165-M237 HydrophobicContact CG-CE 3.84Å; P165-M237 HydrophobicContact CG-SD 3.73Å
166A91.1Very high93.2Very high10 Ų1039.3 Ų39.38%0.08319%0.194CC..  trans-70.6174.3162.700000110.3Y55 E168Y55-A166 HydrophobicContact CD2-CB 3.47Å; Y55-A166 VanDerWaalsContact CD2-CB 3.47Å; Y55-A166 HydrophobicContact CE2-CB 3.53Å; Y55-A166 HydrophobicContact CG-CB 4.34Å; A166-E168 VanDerWaalsContact C-N 3.3Å; A166-E168 HydrophobicContact CB-CG 3.95Å; A166-E168 PolarHBondContact O-N 3.35Å
167D82.1Confident93.3Very high6 Ų635 Ų353%0.03218%0.177CC..SBendtrans-91.424178.266.1-29.9000113.5Y55 E169 S170 S173 R232 W233 F236Y55-D167 PolarHBondContact OH-OD1 3.39Å; D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.34Å; D167-S170 VanDerWaalsContact O-CB 3.3Å; D167-S170 WeakPolarHBondContact O-CB 3.34Å; D167-S170 PolarHBondContact O-N 2.91Å; D167-S170 PolarHBondContact O-OG 2.86Å; D167-S173 PolarHBondContact O-OG 3.31Å; D167-R232 WeakPolarHBondContact OD2-CD 3.28Å; D167-R232 WeakPolarHBondContact OD2-CG 3.47Å; D167-R232 IonicContact OD2-CZ 3.09Å; D167-R232 IonicContact OD2-NE 2.79Å; D167-R232 PolarHBondContact OD2-NE 2.95Å; D167-R232 IonicContact OD2-NH2 3.36Å; D167-W233 HydrophobicContact CB-CB 4.25Å; D167-F236 HydrophobicContact CB-CD1 4.39Å
168E82.9Confident93.3Very high86 Ų8634.5 Ų34.540%0.40218%0.175SC..THydrogen-bonded Turntrans-64-26.9-170.6-66.8-175.2177.400113.6R57 A166 S173 R437R57-E168 IonicContact NE-OE1 3.07Å; R57-E168 IonicContact NH1-OE1 2.78Å; A166-E168 VanDerWaalsContact C-N 3.3Å; A166-E168 HydrophobicContact CB-CG 3.95Å; A166-E168 PolarHBondContact O-N 3.35Å; E168-S173 VanDerWaalsContact C-OG 3.3Å; E168-S173 WeakPolarHBondContact O-CB 3.38Å; E168-S173 PolarHBondContact O-OG 3.1Å; E168-R437 PolarHBondContact O-NH1 2.94Å
169E86.6Confident93.3Very high77 Ų7727.3 Ų27.336%0.3615%0.149SC..THydrogen-bonded Turntrans-98.23.5175.3-51.288.2178.400114.5D167 G319D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.34Å; E169-G319 WeakPolarHBondContact CB-O 3.32Å
170S91.5Very high93.2Very high2 Ų227.2 Ų27.21%0.01415%0.148CC..SBendtrans-67.7161.3178.180.20000112.3D167 F172 S173 F174D167-S170 VanDerWaalsContact O-CB 3.3Å; D167-S170 WeakPolarHBondContact O-CB 3.34Å; D167-S170 PolarHBondContact O-N 2.91Å; D167-S170 PolarHBondContact O-OG 2.86Å; S170-F172 PolarHBondContact O-N 2.93Å; S170-F172 VanDerWaalsContact O-N 3.09Å; S170-F172 PolarHBondContact OG-N 3.07Å; S170-S173 PolarHBondContact N-OG 2.97Å; S170-S173 PolarHBondContact O-N 3.13Å; S170-S173 PolarHBondContact O-OG 3.3Å; S170-S173 PolarHBondContact OG-OG 2.96Å; S170-F174 WeakPolarHBondContact O-CD1 3.45Å
171P93.6Very high93.2Very high2 Ų227.2 Ų27.21%0.01315%0.148CC..G310 helixtrans-60.1-19.4174.7-26.936.2000115.1S173 F174 V191 M194 V316P171-S173 PolarHBondContact O-N 3.43Å; P171-F174 PolarHBondContact O-N 3.09Å; P171-V191 HydrophobicContact CB-CB 4.47Å; P171-V191 HydrophobicContact CB-CG1 3.96Å; P171-V191 HydrophobicContact CB-CG2 4.09Å; P171-V191 HydrophobicContact CG-CG2 4.29Å; P171-M194 HydrophobicContact CG-SD 3.73Å; P171-V316 HydrophobicContact CG-CB 4.47Å; P171-V316 HydrophobicContact CG-CG1 3.96Å
172F94.6Very high93.2Very high26 Ų2626.7 Ų26.711%0.11415%0.145CC..G310 helixtrans-71.9-19.6175.1-75.9-81.4000113.2L38 V41 S170 F174 V195 I198 F228 R232L38-F172 HydrophobicContact CD2-CD1 4.18Å; L38-F172 HydrophobicContact CD2-CE1 4.5Å; V41-F172 HydrophobicContact CG1-CD1 4.37Å; S170-F172 PolarHBondContact O-N 2.93Å; S170-F172 VanDerWaalsContact O-N 3.09Å; S170-F172 PolarHBondContact OG-N 3.07Å; F172-F174 VanDerWaalsContact C-N 3.34Å; F172-V195 HydrophobicContact CD1-CG2 4.5Å; F172-V195 HydrophobicContact CE1-CB 4.36Å; F172-V195 HydrophobicContact CE1-CG1 3.82Å; F172-V195 HydrophobicContact CE1-CG2 4.18Å; F172-V195 HydrophobicContact CE2-CG2 4.41Å; F172-V195 HydrophobicContact CZ-CB 4.24Å; F172-V195 HydrophobicContact CZ-CG1 4.11Å; F172-V195 HydrophobicContact CZ-CG2 4.14Å; F172-I198 HydrophobicContact CE2-CB 4.07Å; F172-I198 HydrophobicContact CE2-CD1 3.74Å; F172-I198 HydrophobicContact CE2-CG1 4.49Å; F172-I198 HydrophobicContact CE2-CG2 3.91Å; F172-I198 HydrophobicContact CZ-CB 3.9Å; F172-I198 HydrophobicContact CZ-CD1 4.44Å; F172-I198 HydrophobicContact CZ-CG2 3.75Å; F172-F228 AromaticContact CD1-CE1 3.98Å; F172-F228 HydrophobicContact CD1-CE1 3.98Å; F172-F228 HydrophobicContact CD1-CZ 4.34Å; F172-F228 AromaticContact CE1-CE1 3.64Å; F172-F228 HydrophobicContact CE1-CE1 3.64Å; F172-F228 AromaticContact CE1-CZ 3.54Å; F172-F228 HydrophobicContact CE1-CZ 3.54Å; F172-F228 HydrophobicContact CZ-CE1 4.21Å; F172-F228 AromaticContact CZ-CZ 3.84Å; F172-F228 HydrophobicContact CZ-CZ 3.84Å; F172-R232 HydrophobicContact CD2-CB 4.11Å; F172-R232 HydrophobicContact CE2-CB 4.07Å
173S93.1Very high93.2Very high46 Ų4626.6 Ų26.632%0.32214%0.14SC..G310 helixtrans-92.12.9177.7-1.50000112.5D167 E168 S170 P171 S175 R437D167-S173 PolarHBondContact O-OG 3.31Å; E168-S173 VanDerWaalsContact C-OG 3.3Å; E168-S173 WeakPolarHBondContact O-CB 3.38Å; E168-S173 PolarHBondContact O-OG 3.1Å; S170-S173 PolarHBondContact N-OG 2.97Å; S170-S173 PolarHBondContact O-N 3.13Å; S170-S173 PolarHBondContact O-OG 3.3Å; S170-S173 PolarHBondContact OG-OG 2.96Å; P171-S173 PolarHBondContact O-N 3.43Å; S173-S175 PolarHBondContact O-N 3.04Å; S173-R437 PolarHBondContact O-NH2 3.37Å
174F95Very high93.2Very high14 Ų1429.4 Ų29.46%0.06115%0.153CC..  trans-70.7129.2179.7-73.910.7000110.5S170 P171 F172 E178 L179 I182 V191 L315 I440S170-F174 WeakPolarHBondContact O-CD1 3.45Å; P171-F174 PolarHBondContact O-N 3.09Å; F172-F174 VanDerWaalsContact C-N 3.34Å; F174-E178 VanDerWaalsContact CA-OE2 3.25Å; F174-E178 WeakPolarHBondContact CA-OE2 3.44Å; F174-E178 HydrophobicContact CB-CB 4.11Å; F174-E178 HydrophobicContact CG-CB 4.39Å; F174-L179 HydrophobicContact CB-CD2 4.01Å; F174-L179 HydrophobicContact CB-CG 4.06Å; F174-L179 HydrophobicContact CD2-CD2 4.2Å; F174-I182 HydrophobicContact CD2-CD1 3.92Å; F174-I182 HydrophobicContact CE2-CD1 3.87Å; F174-V191 HydrophobicContact CE2-CG2 4.2Å; F174-L315 HydrophobicContact CZ-CD1 3.86Å; F174-L315 HydrophobicContact CZ-CG 4.19Å; F174-I440 HydrophobicContact CD1-CD1 4.17Å; F174-I440 HydrophobicContact CD2-CD1 4.42Å; F174-I440 HydrophobicContact CE1-CD1 3.95Å; F174-I440 HydrophobicContact CE2-CD1 4.23Å; F174-I440 HydrophobicContact CG-CD1 4.4Å; F174-I440 HydrophobicContact CZ-CD1 3.99Å
175S94.2Very high93.2Very high42 Ų4229.8 Ų29.829%0.29416%0.155SC..  trans-69.1165.3173.178.20000111.2S173 A177 E178 L179 Q435S173-S175 PolarHBondContact O-N 3.04Å; S175-A177 PolarHBondContact O-N 3.03Å; S175-A177 PolarHBondContact OG-N 3.24Å; S175-E178 PolarHBondContact N-OE2 3.22Å; S175-E178 PolarHBondContact O-N 2.86Å; S175-E178 VanDerWaalsContact O-N 3.08Å; S175-E178 WeakPolarHBondContact OG-CG 3.47Å; S175-E178 PolarHBondContact OG-N 2.9Å; S175-E178 VanDerWaalsContact OG-N 3.12Å; S175-L179 WeakPolarHBondContact O-CG 3.48Å; S175-L179 PolarHBondContact O-N 3.15Å; S175-Q435 PolarHBondContact OG-O 3.43Å
176E94.1Very high93.3Very high134 Ų13429.7 Ų29.763%0.62616%0.155SC*.Hα-helixtrans-58.6-38.4173.9-172.3176.4-170.700111.8Q35 L179 L180Q35-E176 PolarHBondContact NE2-OE1 3.37Å; E176-L179 PolarHBondContact O-N 3.38Å; E176-L180 WeakPolarHBondContact O-CB 3.27Å; E176-L180 PolarHBondContact O-N 3.4Å
177A95.5Very high93.4Very high7 Ų729.2 Ų29.26%0.05815%0.151CC..Hα-helixtrans-62.1-42.4174.100000111.7S175 L180 A181 A431 Q435 V436S175-A177 PolarHBondContact O-N 3.03Å; S175-A177 PolarHBondContact OG-N 3.24Å; A177-L180 PolarHBondContact O-N 2.87Å; A177-A181 WeakPolarHBondContact O-CB 3.12Å; A177-A181 PolarHBondContact O-N 3.41Å; A177-A431 HydrophobicContact CB-CB 4.28Å; A177-A431 WeakPolarHBondContact O-CB 3.4Å; A177-Q435 HydrophobicContact CB-CB 3.76Å; A177-V436 HydrophobicContact CB-CG2 4.18Å
178E96Very high94.1Very high5 Ų529.1 Ų29.12%0.02315%0.15CC..Hα-helixtrans-66.7-42.9178-69.8177.7150.400111.9F174 S175 L180 A181 I182 V436 R437 I440F174-E178 VanDerWaalsContact CA-OE2 3.25Å; F174-E178 WeakPolarHBondContact CA-OE2 3.44Å; F174-E178 HydrophobicContact CB-CB 4.11Å; F174-E178 HydrophobicContact CG-CB 4.39Å; S175-E178 PolarHBondContact N-OE2 3.22Å; S175-E178 PolarHBondContact O-N 2.86Å; S175-E178 VanDerWaalsContact O-N 3.08Å; S175-E178 WeakPolarHBondContact OG-CG 3.47Å; S175-E178 PolarHBondContact OG-N 2.9Å; S175-E178 VanDerWaalsContact OG-N 3.12Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 2.93Å; E178-A181 WeakPolarHBondContact O-CB 3.49Å; E178-A181 PolarHBondContact O-N 3.34Å; E178-I182 WeakPolarHBondContact O-CG1 3.09Å; E178-I182 PolarHBondContact O-N 3.3Å; E178-I182 VanDerWaalsContact O-N 3.08Å; E178-V436 HydrophobicContact CG-CB 4.43Å; E178-V436 HydrophobicContact CG-CG1 4.24Å; E178-R437 WeakPolarHBondContact OE1-CB 3.34Å; E178-R437 WeakPolarHBondContact OE1-CG 3.48Å; E178-R437 IonicContact OE1-CZ 3.39Å; E178-R437 PolarHBondContact OE1-N 3.33Å; E178-R437 IonicContact OE1-NE 3.44Å; E178-R437 PolarHBondContact OE1-NE 2.85Å; E178-R437 IonicContact OE1-NH2 3.74Å; E178-R437 IonicContact OE2-CZ 3.47Å; E178-R437 IonicContact OE2-NE 2.82Å; E178-R437 IonicContact OE2-NH2 3.33Å; E178-R437 PolarHBondContact OE2-NH2 3.24Å; E178-I440 HydrophobicContact CB-CD1 3.79Å; E178-I440 VanDerWaalsContact CD-CD1 3.48Å; E178-I440 HydrophobicContact CG-CD1 3.69Å
179L96Very high94.6Very high7 Ų727.8 Ų27.84%0.03715%0.151CC..Hα-helixtrans-60.7-42.6174.3-70173.7000111.5F31 L34 L38 F174 S175 E176 A181 I182 K183 V191F31-L179 HydrophobicContact CE2-CB 4.04Å; F31-L179 WeakPolarHBondContact CE2-O 3.36Å; F31-L179 HydrophobicContact CZ-CB 4.23Å; L34-L179 HydrophobicContact CD2-CD2 4.38Å; L38-L179 HydrophobicContact CD1-CD1 3.48Å; L38-L179 VanDerWaalsContact CD1-CD1 3.48Å; F174-L179 HydrophobicContact CB-CD2 4.01Å; F174-L179 HydrophobicContact CB-CG 4.06Å; F174-L179 HydrophobicContact CD2-CD2 4.2Å; S175-L179 WeakPolarHBondContact O-CG 3.48Å; S175-L179 PolarHBondContact O-N 3.15Å; E176-L179 PolarHBondContact O-N 3.38Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-I182 HydrophobicContact CD2-CD1 4.43Å; L179-I182 WeakPolarHBondContact O-CG1 3.25Å; L179-I182 PolarHBondContact O-N 3.48Å; L179-K183 PolarHBondContact O-N 3.46Å; L179-K183 VanDerWaalsContact O-N 3.08Å; L179-V191 HydrophobicContact CD2-CG1 4.14Å
180L95.5Very high95.1Very high45 Ų4526.9 Ų26.924%0.23615%0.145CC..Hα-helixtrans-63.1-41176.3-175.660000111.7F31 E176 A177 E178 I182 K183 K430F31-L180 HydrophobicContact CZ-CB 4.45Å; F31-L180 HydrophobicContact CZ-CD1 4.46Å; E176-L180 WeakPolarHBondContact O-CB 3.27Å; E176-L180 PolarHBondContact O-N 3.4Å; A177-L180 PolarHBondContact O-N 2.87Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 2.93Å; L180-I182 PolarHBondContact O-N 2.72Å; L180-K183 HydrophobicContact CD1-CD 4.38Å; L180-K183 WeakPolarHBondContact O-CB 3.3Å; L180-K183 PolarHBondContact O-N 3.48Å; L180-K430 HydrophobicContact CD2-CB 3.87Å; L180-K430 WeakPolarHBondContact CD2-O 3.49Å; L180-K430 HydrophobicContact CG-CB 4.25Å
181A96.4Very high95.3Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-62.2-41.3178.200000112.6A177 E178 L179 I428 A431 V436A177-A181 WeakPolarHBondContact O-CB 3.12Å; A177-A181 PolarHBondContact O-N 3.41Å; E178-A181 WeakPolarHBondContact O-CB 3.49Å; E178-A181 PolarHBondContact O-N 3.34Å; L179-A181 VanDerWaalsContact C-N 3.34Å; A181-I428 HydrophobicContact CB-CB 4.23Å; A181-I428 HydrophobicContact CB-CG1 4.01Å; A181-A431 HydrophobicContact CB-CB 4.03Å; A181-V436 HydrophobicContact CB-CG1 4.22Å; A181-V436 HydrophobicContact CB-CG2 4.13Å
182I96.5Very high95.4Very high0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-85.6-8.3-179.468.3166.6000114F174 E178 L179 L180 H184 T185 V191 I440F174-I182 HydrophobicContact CD2-CD1 3.92Å; F174-I182 HydrophobicContact CE2-CD1 3.87Å; E178-I182 WeakPolarHBondContact O-CG1 3.09Å; E178-I182 PolarHBondContact O-N 3.3Å; E178-I182 VanDerWaalsContact O-N 3.08Å; L179-I182 HydrophobicContact CD2-CD1 4.43Å; L179-I182 WeakPolarHBondContact O-CG1 3.25Å; L179-I182 PolarHBondContact O-N 3.48Å; L180-I182 PolarHBondContact O-N 2.72Å; I182-H184 PolarHBondContact O-N 3.01Å; I182-T185 WeakPolarHBondContact O-CB 3.4Å; I182-T185 PolarHBondContact O-N 2.92Å; I182-T185 PolarHBondContact O-OG1 2.66Å; I182-V191 HydrophobicContact CD1-CB 4.32Å; I182-V191 HydrophobicContact CD1-CG2 3.75Å; I182-I440 HydrophobicContact CG2-CG2 3.68Å
183K96.4Very high95.4Very high26 Ų2628 Ų2811%0.11316%0.157CC..THydrogen-bonded Turntrans-48.7-38.3-169.9178.2176.5175.9175.30114.8L27 N28 F31 L179 L180 F188L27-K183 HydrophobicContact CD2-CG 4.47Å; L27-K183 HydrophobicContact CG-CG 4.49Å; N28-K183 VanDerWaalsContact OD1-CE 3.3Å; N28-K183 WeakPolarHBondContact OD1-CE 3.19Å; N28-K183 PolarHBondContact OD1-NZ 3.13Å; F31-K183 HydrophobicContact CB-CD 4.42Å; F31-K183 HydrophobicContact CD1-CD 4.41Å; F31-K183 HydrophobicContact CD2-CB 4.11Å; F31-K183 HydrophobicContact CD2-CD 3.71Å; F31-K183 HydrophobicContact CD2-CG 3.73Å; F31-K183 HydrophobicContact CE2-CB 4.07Å; F31-K183 HydrophobicContact CE2-CD 4.05Å; F31-K183 HydrophobicContact CE2-CG 4.16Å; F31-K183 HydrophobicContact CG-CD 3.92Å; F31-K183 HydrophobicContact CG-CG 4.33Å; L179-K183 PolarHBondContact O-N 3.46Å; L179-K183 VanDerWaalsContact O-N 3.08Å; L180-K183 HydrophobicContact CD1-CD 4.38Å; L180-K183 WeakPolarHBondContact O-CB 3.3Å; L180-K183 PolarHBondContact O-N 3.48Å; K183-F188 WeakPolarHBondContact O-CB 3.33Å
184H96.1Very high95.5Very high61 Ų6126.8 Ų26.828%0.28215%0.146SC..THydrogen-bonded Turntrans-99.94.2-176.8-65.9-68.6000114.1L27 I182 A423 C424L27-H184 WeakPolarHBondContact CD2-ND1 3.23Å; I182-H184 PolarHBondContact O-N 3.01Å; H184-A423 HydrophobicContact CB-CB 3.95Å; H184-C424 PolarHBondContact O-SG 3.39Å
185T97Very high95.6Very high11 Ų1126.1 Ų26.17%0.06714%0.143CC..SBendtrans-90167.4179.371.40000111.8I182 C187 F188 C424 F443 V444 E447I182-T185 WeakPolarHBondContact O-CB 3.4Å; I182-T185 PolarHBondContact O-N 2.92Å; I182-T185 PolarHBondContact O-OG1 2.66Å; T185-C187 PolarHBondContact O-N 3.01Å; T185-C187 VanDerWaalsContact O-N 3.16Å; T185-C187 WeakPolarHBondContact OG1-CB 3.13Å; T185-C187 PolarHBondContact OG1-N 3.45Å; T185-F188 PolarHBondContact O-N 3.39Å; T185-C424 HydrophobicContact CG2-CB 4.45Å; T185-F443 HydrophobicContact CG2-CE1 4.07Å; T185-V444 HydrophobicContact CG2-CG1 4.44Å; T185-V444 HydrophobicContact CG2-CG2 4.08Å; T185-E447 WeakPolarHBondContact CB-OE2 3.29Å
186S94.5Very high95.7Very high17 Ų1725.3 Ų25.312%0.11913%0.134CC..Hα-helixtrans-57.5-25.6171.868.50000112.9S189 S312 E447S186-S189 PolarHBondContact O-OG 3.33Å; S186-S312 WeakPolarHBondContact OG-CB 3.25Å; S186-S312 PolarHBondContact OG-OG 3.1Å; S186-E447 VanDerWaalsContact CB-OE1 3.27Å; S186-E447 WeakPolarHBondContact CB-OE1 3.41Å; S186-E447 PolarHBondContact N-OE1 3.29Å; S186-E447 PolarHBondContact N-OE2 2.73Å; S186-E447 PolarHBondContact OG-OE1 2.89Å; S186-E447 PolarHBondContact OG-OE2 2.97Å
187C94.9Very high95.7Very high0 Ų021.9 Ų21.90%012%0.12CC..Hα-helixtrans-71.3-34.4-177.3-177.90000113.4T185 S189 K190 V191 L315 V316 F443T185-C187 PolarHBondContact O-N 3.01Å; T185-C187 VanDerWaalsContact O-N 3.16Å; T185-C187 WeakPolarHBondContact OG1-CB 3.13Å; T185-C187 PolarHBondContact OG1-N 3.45Å; C187-S189 VanDerWaalsContact C-N 3.32Å; C187-S189 PolarHBondContact O-N 3.09Å; C187-K190 WeakPolarHBondContact O-CB 3.2Å; C187-K190 PolarHBondContact O-N 2.67Å; C187-V191 PolarHBondContact O-N 3.18Å; C187-L315 HydrophobicContact CB-CD2 4.45Å; C187-V316 WeakPolarHBondContact SG-CG2 3.42Å; C187-F443 HydrophobicContact CB-CE1 3.5Å; C187-F443 HydrophobicContact CB-CE2 4.5Å; C187-F443 HydrophobicContact CB-CZ 3.47Å; C187-F443 VanDerWaalsContact CB-CZ 3.47Å
188F96.3Very high95.7Very high4 Ų421.9 Ų21.92%0.01812%0.119CC..Hα-helixtrans-56.6-44.5-173.1175.6-98.7000112.8L27 R30 F31 L34 K183 T185 K190 V191 D192L27-F188 HydrophobicContact CD1-CD1 3.4Å; L27-F188 VanDerWaalsContact CD1-CD1 3.4Å; L27-F188 HydrophobicContact CD1-CE1 3.45Å; L27-F188 VanDerWaalsContact CD1-CE1 3.45Å; L27-F188 HydrophobicContact CD1-CG 4.34Å; L27-F188 HydrophobicContact CD1-CZ 4.41Å; R30-F188 HydrophobicContact CB-CE1 4.22Å; R30-F188 HydrophobicContact CB-CZ 4.45Å; F31-F188 HydrophobicContact CB-CE2 4.4Å; F31-F188 HydrophobicContact CB-CZ 4.08Å; F31-F188 HydrophobicContact CD2-CD2 4.23Å; F31-F188 AromaticContact CD2-CE2 3.51Å; F31-F188 HydrophobicContact CD2-CE2 3.51Å; F31-F188 HydrophobicContact CD2-CZ 4.05Å; F31-F188 HydrophobicContact CE2-CE2 4.26Å; F31-F188 HydrophobicContact CG-CE2 4.41Å; L34-F188 HydrophobicContact CD2-CE2 3.76Å; L34-F188 HydrophobicContact CD2-CZ 4.27Å; K183-F188 WeakPolarHBondContact O-CB 3.33Å; T185-F188 PolarHBondContact O-N 3.39Å; F188-K190 VanDerWaalsContact C-N 3.26Å; F188-K190 PolarHBondContact O-N 2.98Å; F188-V191 PolarHBondContact O-N 2.86Å; F188-D192 HydrophobicContact CE1-CB 4.36Å; F188-D192 HydrophobicContact CZ-CB 4.3Å; F188-D192 WeakPolarHBondContact O-CB 3.5Å; F188-D192 PolarHBondContact O-N 3.43Å
189S93.6Very high95.7Very high58 Ų5821.7 Ų21.741%0.40612%0.118SC..Hα-helixtrans-62.6-34.4-179.968.30000112.9S186 C187 S193S186-S189 PolarHBondContact O-OG 3.33Å; C187-S189 VanDerWaalsContact C-N 3.32Å; C187-S189 PolarHBondContact O-N 3.09Å; S189-S193 VanDerWaalsContact O-CB 3.27Å; S189-S193 WeakPolarHBondContact O-CB 3.03Å; S189-S193 PolarHBondContact O-N 3.32Å; S189-S193 VanDerWaalsContact O-N 3.08Å
190K95.6Very high95.6Very high57 Ų5726.6 Ų26.625%0.24814%0.136CC..Hα-helixtrans-73.5-43.3176.7-66.4176.6-174.7-87.90110.9C187 F188 S193 M194 S312 D313 V316C187-K190 WeakPolarHBondContact O-CB 3.2Å; C187-K190 PolarHBondContact O-N 2.67Å; F188-K190 VanDerWaalsContact C-N 3.26Å; F188-K190 PolarHBondContact O-N 2.98Å; K190-S193 PolarHBondContact O-N 3Å; K190-M194 WeakPolarHBondContact O-CB 3.26Å; K190-M194 PolarHBondContact O-N 3.37Å; K190-S312 WeakPolarHBondContact CE-OG 3.36Å; K190-D313 IonicContact NZ-OD1 2.66Å; K190-D313 PolarHBondContact NZ-OD1 3.42Å; K190-D313 IonicContact NZ-OD2 3.61Å; K190-V316 HydrophobicContact CB-CB 4.34Å; K190-V316 HydrophobicContact CB-CG1 4.13Å; K190-V316 HydrophobicContact CB-CG2 3.94Å
191V97Very high95.5Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-58.4-52.8173.6168.80000110.9L34 P171 F174 L179 I182 C187 F188 S193 M194 V195 V316L34-V191 HydrophobicContact CD2-CG1 4.29Å; P171-V191 HydrophobicContact CB-CB 4.47Å; P171-V191 HydrophobicContact CB-CG1 3.96Å; P171-V191 HydrophobicContact CB-CG2 4.09Å; P171-V191 HydrophobicContact CG-CG2 4.29Å; F174-V191 HydrophobicContact CE2-CG2 4.2Å; L179-V191 HydrophobicContact CD2-CG1 4.14Å; I182-V191 HydrophobicContact CD1-CB 4.32Å; I182-V191 HydrophobicContact CD1-CG2 3.75Å; C187-V191 PolarHBondContact O-N 3.18Å; F188-V191 PolarHBondContact O-N 2.86Å; V191-S193 VanDerWaalsContact C-N 3.29Å; V191-S193 PolarHBondContact O-N 2.95Å; V191-M194 PolarHBondContact O-N 2.94Å; V191-V195 HydrophobicContact CG1-CG2 4.34Å; V191-V195 WeakPolarHBondContact O-CG2 3.34Å; V191-V195 PolarHBondContact O-N 3.08Å; V191-V316 HydrophobicContact CG2-CG2 3.67Å
192D95.9Very high95.3Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-59.5-42-179.8-174.654000111.3R30 L34 F188 R196R30-D192 IonicContact CZ-OD2 3.18Å; R30-D192 IonicContact NE-OD2 3.82Å; R30-D192 PolarHBondContact NE-OD2 2.9Å; R30-D192 IonicContact NH2-OD2 2.73Å; R30-D192 PolarHBondContact NH2-OD2 3.08Å; L34-D192 HydrophobicContact CD2-CB 4.29Å; F188-D192 HydrophobicContact CE1-CB 4.36Å; F188-D192 HydrophobicContact CZ-CB 4.3Å; F188-D192 WeakPolarHBondContact O-CB 3.5Å; F188-D192 PolarHBondContact O-N 3.43Å; D192-R196 VanDerWaalsContact O-CB 3.32Å; D192-R196 WeakPolarHBondContact O-CB 3.33Å; D192-R196 WeakPolarHBondContact O-CG 3.45Å; D192-R196 PolarHBondContact O-N 3.08Å; D192-R196 IonicContact OD1-CZ 3.99Å; D192-R196 VanDerWaalsContact OD1-CZ 3.31Å; D192-R196 IonicContact OD1-NE 3.97Å; D192-R196 PolarHBondContact OD1-NE 3.12Å; D192-R196 IonicContact OD1-NH2 3.91Å; D192-R196 PolarHBondContact OD1-NH2 3.44Å; D192-R196 IonicContact OD2-CZ 3.79Å; D192-R196 IonicContact OD2-NE 3.94Å; D192-R196 PolarHBondContact OD2-NE 3.43Å; D192-R196 IonicContact OD2-NH2 3.99Å
193S94.7Very high95.2Very high55 Ų5525.5 Ų25.539%0.38513%0.13SC..Hα-helixtrans-63.7-48.1176-174.90000112.4S189 K190 V191 N197S189-S193 VanDerWaalsContact O-CB 3.27Å; S189-S193 WeakPolarHBondContact O-CB 3.03Å; S189-S193 PolarHBondContact O-N 3.32Å; S189-S193 VanDerWaalsContact O-N 3.08Å; K190-S193 PolarHBondContact O-N 3Å; V191-S193 VanDerWaalsContact C-N 3.29Å; V191-S193 PolarHBondContact O-N 2.95Å; S193-N197 VanDerWaalsContact O-CB 3.26Å; S193-N197 WeakPolarHBondContact O-CB 3.31Å; S193-N197 PolarHBondContact O-N 2.97Å; S193-N197 PolarHBondContact O-ND2 2.96Å; S193-N197 VanDerWaalsContact O-ND2 3.11Å; S193-N197 PolarHBondContact OG-ND2 3.13Å
194M95.4Very high94.8Very high19 Ų1928.5 Ų28.59%0.09414%0.141CC..Hα-helixtrans-60.9-50.1180176.1177-108.400111.4P171 K190 V191 N197 I198 V239 V316P171-M194 HydrophobicContact CG-SD 3.73Å; K190-M194 WeakPolarHBondContact O-CB 3.26Å; K190-M194 PolarHBondContact O-N 3.37Å; V191-M194 PolarHBondContact O-N 2.94Å; M194-N197 PolarHBondContact O-N 2.78Å; M194-I198 HydrophobicContact CG-CD1 3.81Å; M194-I198 PolarHBondContact O-N 3.21Å; M194-V239 HydrophobicContact CE-CB 4.48Å; M194-V239 HydrophobicContact CE-CG1 4.03Å; M194-V239 HydrophobicContact CE-CG2 4.42Å; M194-V316 HydrophobicContact CB-CG1 4.23Å; M194-V316 HydrophobicContact CE-CG1 4.37Å; M194-V316 HydrophobicContact SD-CG1 3.75Å
195V96.4Very high94.4Very high1 Ų125.6 Ų25.61%0.00613%0.127CC..Hα-helixtrans-59.6-51.2-179.9171.70000110.1L34 L37 L38 F172 V191 N197 I198 C199L34-V195 HydrophobicContact CD1-CB 3.88Å; L34-V195 HydrophobicContact CD1-CG1 3.69Å; L34-V195 HydrophobicContact CD1-CG2 4.32Å; L37-V195 HydrophobicContact CD2-CG1 3.92Å; L37-V195 HydrophobicContact CG-CG1 4.43Å; L38-V195 HydrophobicContact CD2-CG1 3.92Å; F172-V195 HydrophobicContact CD1-CG2 4.5Å; F172-V195 HydrophobicContact CE1-CB 4.36Å; F172-V195 HydrophobicContact CE1-CG1 3.82Å; F172-V195 HydrophobicContact CE1-CG2 4.18Å; F172-V195 HydrophobicContact CE2-CG2 4.41Å; F172-V195 HydrophobicContact CZ-CB 4.24Å; F172-V195 HydrophobicContact CZ-CG1 4.11Å; F172-V195 HydrophobicContact CZ-CG2 4.14Å; V191-V195 HydrophobicContact CG1-CG2 4.34Å; V191-V195 WeakPolarHBondContact O-CG2 3.34Å; V191-V195 PolarHBondContact O-N 3.08Å; V195-N197 VanDerWaalsContact C-N 3.32Å; V195-N197 PolarHBondContact O-N 3.25Å; V195-I198 PolarHBondContact O-N 2.83Å; V195-C199 WeakPolarHBondContact O-CB 3.23Å; V195-C199 PolarHBondContact O-N 3.01Å; V195-C199 PolarHBondContact O-SG 3Å
196R95.5Very high94.1Very high24 Ų2425 Ų259%0.09112%0.124CC..Hα-helixtrans-59.6-41.7178.6-72.1178.1-167.9-84.6-9.1112.6L19 R30 L37 D192 R200L19-R196 HydrophobicContact CD2-CB 3.89Å; L19-R196 HydrophobicContact CD2-CG 3.74Å; R30-R196 PolarHBondContact O-NH2 3.38Å; L37-R196 HydrophobicContact CD2-CG 3.78Å; D192-R196 VanDerWaalsContact O-CB 3.32Å; D192-R196 WeakPolarHBondContact O-CB 3.33Å; D192-R196 WeakPolarHBondContact O-CG 3.45Å; D192-R196 PolarHBondContact O-N 3.08Å; D192-R196 IonicContact OD1-CZ 3.99Å; D192-R196 VanDerWaalsContact OD1-CZ 3.31Å; D192-R196 IonicContact OD1-NE 3.97Å; D192-R196 PolarHBondContact OD1-NE 3.12Å; D192-R196 IonicContact OD1-NH2 3.91Å; D192-R196 PolarHBondContact OD1-NH2 3.44Å; D192-R196 IonicContact OD2-CZ 3.79Å; D192-R196 IonicContact OD2-NE 3.94Å; D192-R196 PolarHBondContact OD2-NE 3.43Å; D192-R196 IonicContact OD2-NH2 3.99Å; R196-R200 VanDerWaalsContact O-CB 3.26Å; R196-R200 WeakPolarHBondContact O-CB 3.35Å; R196-R200 PolarHBondContact O-N 3.1Å
197N94.1Very high93.7Very high63 Ų6325.7 Ų25.734%0.33713%0.126SC..Hα-helixtrans-65.9-46.2180-76.5-28.8000111.8S193 M194 V195 R200 Q201S193-N197 VanDerWaalsContact O-CB 3.26Å; S193-N197 WeakPolarHBondContact O-CB 3.31Å; S193-N197 PolarHBondContact O-N 2.97Å; S193-N197 PolarHBondContact O-ND2 2.96Å; S193-N197 VanDerWaalsContact O-ND2 3.11Å; S193-N197 PolarHBondContact OG-ND2 3.13Å; M194-N197 PolarHBondContact O-N 2.78Å; V195-N197 VanDerWaalsContact C-N 3.32Å; V195-N197 PolarHBondContact O-N 3.25Å; N197-R200 PolarHBondContact O-N 2.85Å; N197-Q201 WeakPolarHBondContact O-CB 3.48Å; N197-Q201 VanDerWaalsContact O-CG 3.23Å; N197-Q201 WeakPolarHBondContact O-CG 3.26Å; N197-Q201 PolarHBondContact O-N 2.88Å
198I95.6Very high93.1Very high7 Ų727.9 Ų27.94%0.03614%0.138CC..Hα-helixtrans-64.7-43.8177.9-71.4170000110.4F172 M194 V195 R200 Q201 Y202 F228 F231 R232 M235F172-I198 HydrophobicContact CE2-CB 4.07Å; F172-I198 HydrophobicContact CE2-CD1 3.74Å; F172-I198 HydrophobicContact CE2-CG1 4.49Å; F172-I198 HydrophobicContact CE2-CG2 3.91Å; F172-I198 HydrophobicContact CZ-CB 3.9Å; F172-I198 HydrophobicContact CZ-CD1 4.44Å; F172-I198 HydrophobicContact CZ-CG2 3.75Å; M194-I198 HydrophobicContact CG-CD1 3.81Å; M194-I198 PolarHBondContact O-N 3.21Å; V195-I198 PolarHBondContact O-N 2.83Å; I198-R200 VanDerWaalsContact C-N 3.35Å; I198-R200 PolarHBondContact O-N 2.8Å; I198-Q201 PolarHBondContact O-N 3.42Å; I198-Y202 WeakPolarHBondContact O-CB 3.23Å; I198-Y202 PolarHBondContact O-N 3.33Å; I198-F228 HydrophobicContact CG2-CE2 4.45Å; I198-F228 HydrophobicContact CG2-CZ 4.28Å; I198-F231 HydrophobicContact CG2-CD1 4.13Å; I198-F231 HydrophobicContact CG2-CE1 4.1Å; I198-R232 HydrophobicContact CG2-CB 4.07Å; I198-M235 HydrophobicContact CD1-CB 3.91Å; I198-M235 HydrophobicContact CG1-CB 4.13Å; I198-M235 HydrophobicContact CG1-CE 4.2Å; I198-M235 HydrophobicContact CG1-CG 4.24Å
199C96.4Very high92.4Very high0 Ų028.1 Ų28.10%014%0.139CC..Hα-helixtrans-59-43.3174.8-71.30000112.7M15 L19 L37 V41 V195 S203M15-C199 HydrophobicContact CE-CB 4.07Å; M15-C199 HydrophobicContact CG-CB 4.2Å; M15-C199 HydrophobicContact SD-CB 3.56Å; M15-C199 VanDerWaalsContact SD-CB 3.56Å; L19-C199 HydrophobicContact CD1-CB 3.62Å; L37-C199 HydrophobicContact CD1-CB 4.16Å; L37-C199 HydrophobicContact CD2-CB 4.35Å; V41-C199 VanDerWaalsContact CG2-SG 3.56Å; V195-C199 WeakPolarHBondContact O-CB 3.23Å; V195-C199 PolarHBondContact O-N 3.01Å; V195-C199 PolarHBondContact O-SG 3Å; C199-S203 WeakPolarHBondContact O-CB 3.24Å; C199-S203 PolarHBondContact O-N 3.07Å; C199-S203 PolarHBondContact O-OG 3Å
200R94.1Very high91.9Very high110 Ų11027 Ų2742%0.41513%0.127SC..Hα-helixtrans-64.7-46.5177.7-173.1-177.6-63.6158.9-2111.4L19 R196 N197 I198 S203 Y204L19-R200 HydrophobicContact CD1-CB 4.02Å; L19-R200 PolarHBondContact O-NH2 2.98Å; R196-R200 VanDerWaalsContact O-CB 3.26Å; R196-R200 WeakPolarHBondContact O-CB 3.35Å; R196-R200 PolarHBondContact O-N 3.1Å; N197-R200 PolarHBondContact O-N 2.85Å; I198-R200 VanDerWaalsContact C-N 3.35Å; I198-R200 PolarHBondContact O-N 2.8Å; R200-S203 PolarHBondContact O-N 3.48Å; R200-Y204 WeakPolarHBondContact O-CB 3.5Å; R200-Y204 PolarHBondContact O-N 3.48Å
201Q92.3Very high91Very high23 Ų2326.9 Ų26.911%0.10713%0.131CC..Hα-helixtrans-63.9-45.7179-71174.817.800111.4L133 T140 N197 I198 S203 Y204 I205 F231L133-Q201 HydrophobicContact CD2-CG 4.08Å; T140-Q201 PolarHBondContact OG1-NE2 2.9Å; T140-Q201 PolarHBondContact OG1-OE1 3.4Å; N197-Q201 WeakPolarHBondContact O-CB 3.48Å; N197-Q201 VanDerWaalsContact O-CG 3.23Å; N197-Q201 WeakPolarHBondContact O-CG 3.26Å; N197-Q201 PolarHBondContact O-N 2.88Å; I198-Q201 PolarHBondContact O-N 3.42Å; Q201-S203 PolarHBondContact O-N 2.79Å; Q201-Y204 PolarHBondContact O-N 2.83Å; Q201-I205 WeakPolarHBondContact O-CB 3.44Å; Q201-I205 WeakPolarHBondContact O-CD1 2.95Å; Q201-I205 WeakPolarHBondContact O-CG1 3.36Å; Q201-I205 PolarHBondContact O-N 3.34Å; Q201-F231 HydrophobicContact CB-CE1 4.02Å; Q201-F231 HydrophobicContact CB-CZ 3.9Å
202Y94.1Very high89.3Confident0 Ų036.8 Ų36.80%018%0.177CC..Hα-helixtrans-58.2-50.3175.7178.2-101.3000111.1T12 M15 I44 Q48 I198 Y204 I205 Y206 F226 F228 F231T12-Y202 HydrophobicContact CG2-CD1 3.8Å; T12-Y202 HydrophobicContact CG2-CE1 3.46Å; T12-Y202 VanDerWaalsContact CG2-CE1 3.46Å; M15-Y202 HydrophobicContact CE-CD1 4.15Å; I44-Y202 HydrophobicContact CG2-CE1 4.47Å; Q48-Y202 PolarHBondContact NE2-OH 3.2Å; Q48-Y202 VanDerWaalsContact NE2-OH 3.09Å; I198-Y202 WeakPolarHBondContact O-CB 3.23Å; I198-Y202 PolarHBondContact O-N 3.33Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y202-Y204 PolarHBondContact O-N 3.38Å; Y202-I205 PolarHBondContact O-N 2.66Å; Y202-Y206 HydrophobicContact CE1-CD2 4.12Å; Y202-Y206 HydrophobicContact CE1-CG 4.39Å; Y202-Y206 HydrophobicContact CE2-CD2 4.05Å; Y202-Y206 AromaticContact CZ-CD2 3.57Å; Y202-Y206 WeakPolarHBondContact O-CB 3.41Å; Y202-Y206 PolarHBondContact O-N 3.29Å; Y202-Y206 VanDerWaalsContact OH-CD2 3.31Å; Y202-Y206 WeakPolarHBondContact OH-CD2 3.43Å; Y202-Y206 WeakPolarHBondContact OH-CE2 3.19Å; Y202-F226 HydrophobicContact CD2-CD1 4.26Å; Y202-F226 AromaticContact CD2-CE1 3.58Å; Y202-F226 HydrophobicContact CD2-CE1 3.58Å; Y202-F226 HydrophobicContact CD2-CZ 4.01Å; Y202-F226 AromaticContact CE2-CD1 3.83Å; Y202-F226 HydrophobicContact CE2-CD1 3.83Å; Y202-F226 AromaticContact CE2-CE1 3.61Å; Y202-F226 HydrophobicContact CE2-CE1 3.61Å; Y202-F226 HydrophobicContact CE2-CZ 4.38Å; Y202-F228 AromaticContact CD1-CD2 3.48Å; Y202-F228 HydrophobicContact CD1-CD2 3.48Å; Y202-F228 VanDerWaalsContact CD1-CD2 3.48Å; Y202-F228 HydrophobicContact CD1-CE2 4.16Å; Y202-F228 AromaticContact CD2-CD2 3.97Å; Y202-F228 HydrophobicContact CD2-CD2 3.97Å; Y202-F228 HydrophobicContact CE1-CB 4.12Å; Y202-F228 AromaticContact CE1-CD2 3.85Å; Y202-F228 HydrophobicContact CE1-CD2 3.85Å; Y202-F228 HydrophobicContact CE1-CG 4.49Å; Y202-F228 HydrophobicContact CE2-CB 4.14Å; Y202-F228 HydrophobicContact CE2-CD2 4.34Å; Y202-F228 AromaticContact CG-CD2 3.51Å; Y202-F228 HydrophobicContact CG-CD2 3.51Å; Y202-F228 HydrophobicContact CG-CE2 4.06Å; Y202-F228 PolarHBondContact OH-N 3Å; Y202-F231 HydrophobicContact CD2-CB 3.83Å; Y202-F231 AromaticContact CD2-CD1 3.88Å; Y202-F231 HydrophobicContact CD2-CD1 3.88Å; Y202-F231 AromaticContact CD2-CG 3.98Å; Y202-F231 HydrophobicContact CD2-CG 3.98Å; Y202-F231 HydrophobicContact CE2-CB 4.34Å; Y202-F231 HydrophobicContact CG-CD1 4.25Å
203S93Very high87.7Confident0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-59.4-44.8-178.8-55.50000111.7T12 M15 C199 R200 Q201 N207T12-S203 WeakPolarHBondContact O-CB 3.5Å; T12-S203 PolarHBondContact O-OG 2.79Å; M15-S203 WeakPolarHBondContact CE-OG 3.4Å; C199-S203 WeakPolarHBondContact O-CB 3.24Å; C199-S203 PolarHBondContact O-N 3.07Å; C199-S203 PolarHBondContact O-OG 3Å; R200-S203 PolarHBondContact O-N 3.48Å; Q201-S203 PolarHBondContact O-N 2.79Å; S203-N207 VanDerWaalsContact O-CB 3.29Å; S203-N207 WeakPolarHBondContact O-CB 3.32Å; S203-N207 PolarHBondContact O-N 3.25Å; S203-N207 PolarHBondContact O-ND2 2.77Å
204Y89.4Confident86.4Confident88 Ų8843.2 Ų43.235%0.34521%0.209SC..Hα-helixtrans-60.1-51.1176.8177.2-90.8000111.6L133 R200 Q201 Y202 N207 L208L133-Y204 HydrophobicContact CB-CD1 4.32Å; L133-Y204 HydrophobicContact CB-CE1 3.95Å; L133-Y204 HydrophobicContact CD2-CD1 3.73Å; L133-Y204 HydrophobicContact CD2-CE1 4.23Å; L133-Y204 HydrophobicContact CD2-CG 4.2Å; R200-Y204 WeakPolarHBondContact O-CB 3.5Å; R200-Y204 PolarHBondContact O-N 3.48Å; Q201-Y204 PolarHBondContact O-N 2.83Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y202-Y204 PolarHBondContact O-N 3.38Å; Y204-N207 PolarHBondContact O-N 3.18Å; Y204-L208 HydrophobicContact CE1-CD2 4.14Å; Y204-L208 VanDerWaalsContact O-CB 3.32Å; Y204-L208 WeakPolarHBondContact O-CB 3.26Å; Y204-L208 PolarHBondContact O-N 3.32Å
205I87.7Confident84.9Confident0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-68.5-41.5-176.1-65.4166.5000110.9L134 T140 L144 Q201 Y202 N207 L208 F209 F226 F231L134-I205 HydrophobicContact CD2-CD1 4.12Å; L134-I205 HydrophobicContact CD2-CG1 4.47Å; T140-I205 HydrophobicContact CG2-CD1 3.81Å; L144-I205 HydrophobicContact CD1-CD1 4.35Å; Q201-I205 WeakPolarHBondContact O-CB 3.44Å; Q201-I205 WeakPolarHBondContact O-CD1 2.95Å; Q201-I205 WeakPolarHBondContact O-CG1 3.36Å; Q201-I205 PolarHBondContact O-N 3.34Å; Y202-I205 PolarHBondContact O-N 2.66Å; I205-N207 PolarHBondContact O-N 3.08Å; I205-L208 WeakPolarHBondContact O-CB 3.43Å; I205-L208 PolarHBondContact O-N 3.39Å; I205-F209 HydrophobicContact CG2-CD2 3.53Å; I205-F209 HydrophobicContact CG2-CE2 3.1Å; I205-F209 HydrophobicContact CG2-CG 4.41Å; I205-F209 HydrophobicContact CG2-CZ 3.65Å; I205-F209 WeakPolarHBondContact O-CG 3.38Å; I205-F209 PolarHBondContact O-N 3.4Å; I205-F226 HydrophobicContact CB-CE1 4.13Å; I205-F226 HydrophobicContact CB-CZ 3.84Å; I205-F226 HydrophobicContact CD1-CZ 4.45Å; I205-F226 HydrophobicContact CG2-CE1 3.73Å; I205-F226 HydrophobicContact CG2-CE2 4.03Å; I205-F226 HydrophobicContact CG2-CZ 3.36Å; I205-F231 HydrophobicContact CD1-CE2 3.9Å; I205-F231 HydrophobicContact CD1-CZ 3.92Å
206Y89.9Confident83.3Confident0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-60.4-47.1177.9-165.7-83.3000110.9V8 H9 T12 Y202 L208 F209 F210 F226V8-Y206 HydrophobicContact CB-CE1 4.28Å; V8-Y206 HydrophobicContact CG1-CD1 4.32Å; V8-Y206 HydrophobicContact CG1-CD2 4.22Å; V8-Y206 HydrophobicContact CG1-CE1 3.75Å; V8-Y206 HydrophobicContact CG1-CE2 3.64Å; H9-Y206 HydrophobicContact CB-CE1 4.25Å; T12-Y206 HydrophobicContact CG2-CD1 4.16Å; T12-Y206 HydrophobicContact CG2-CG 4.13Å; Y202-Y206 HydrophobicContact CE1-CD2 4.12Å; Y202-Y206 HydrophobicContact CE1-CG 4.39Å; Y202-Y206 HydrophobicContact CE2-CD2 4.05Å; Y202-Y206 AromaticContact CZ-CD2 3.57Å; Y202-Y206 WeakPolarHBondContact O-CB 3.41Å; Y202-Y206 PolarHBondContact O-N 3.29Å; Y202-Y206 VanDerWaalsContact OH-CD2 3.31Å; Y202-Y206 WeakPolarHBondContact OH-CD2 3.43Å; Y202-Y206 WeakPolarHBondContact OH-CE2 3.19Å; Y206-L208 VanDerWaalsContact C-N 3.3Å; Y206-L208 PolarHBondContact O-N 3.16Å; Y206-F209 PolarHBondContact O-N 3.27Å; Y206-F210 HydrophobicContact CD1-CB 4.49Å; Y206-F210 AromaticContact CD1-CD2 3.96Å; Y206-F210 HydrophobicContact CD1-CD2 3.96Å; Y206-F210 AromaticContact CD2-CD2 3.59Å; Y206-F210 HydrophobicContact CD2-CD2 3.59Å; Y206-F210 AromaticContact CD2-CE2 3.78Å; Y206-F210 HydrophobicContact CD2-CE2 3.78Å; Y206-F210 HydrophobicContact CE1-CB 4.19Å; Y206-F210 AromaticContact CE1-CD2 3.95Å; Y206-F210 HydrophobicContact CE1-CD2 3.95Å; Y206-F210 AromaticContact CE2-CD2 3.57Å; Y206-F210 HydrophobicContact CE2-CD2 3.57Å; Y206-F210 AromaticContact CE2-CE2 3.85Å; Y206-F210 HydrophobicContact CE2-CE2 3.85Å; Y206-F210 AromaticContact CG-CD2 3.77Å; Y206-F210 HydrophobicContact CG-CD2 3.77Å; Y206-F210 HydrophobicContact CG-CE2 4.31Å; Y206-F210 AromaticContact CZ-CD2 3.75Å; Y206-F210 WeakPolarHBondContact O-CD2 3.44Å; Y206-F210 PolarHBondContact O-N 2.95Å; Y206-F226 HydrophobicContact CD2-CD1 4.01Å; Y206-F226 HydrophobicContact CD2-CE1 4.42Å
207N86.5Confident81.3Confident30 Ų3052.5 Ų52.516%0.1628%0.277CS..Hα-helixtrans-69.7-28.9178.3-67.9-11.9000112.2H9 T12 S13 S203 Y204 I205 T211H9-N207 PolarHBondContact CE1-OD1 3.06Å; H9-N207 VanDerWaalsContact CE1-OD1 3.29Å; H9-N207 PolarHBondContact ND1-OD1 3.33Å; T12-N207 PolarHBondContact OG1-OD1 2.89Å; S13-N207 PolarHBondContact OG-ND2 3.17Å; S203-N207 VanDerWaalsContact O-CB 3.29Å; S203-N207 WeakPolarHBondContact O-CB 3.32Å; S203-N207 PolarHBondContact O-N 3.25Å; S203-N207 PolarHBondContact O-ND2 2.77Å; Y204-N207 PolarHBondContact O-N 3.18Å; I205-N207 PolarHBondContact O-N 3.08Å; N207-T211 WeakPolarHBondContact O-CB 3.1Å; N207-T211 WeakPolarHBondContact O-CG2 3.32Å; N207-T211 PolarHBondContact O-OG1 3.37Å
208L82.4Confident79.8Confident46 Ų4653 Ų5324%0.24130%0.296CS..Hα-helixtrans-68.6-37.8172.4-177.165.2000112.2Y204 I205 Y206 L216Y204-L208 HydrophobicContact CE1-CD2 4.14Å; Y204-L208 VanDerWaalsContact O-CB 3.32Å; Y204-L208 WeakPolarHBondContact O-CB 3.26Å; Y204-L208 PolarHBondContact O-N 3.32Å; I205-L208 WeakPolarHBondContact O-CB 3.43Å; I205-L208 PolarHBondContact O-N 3.39Å; Y206-L208 VanDerWaalsContact C-N 3.3Å; Y206-L208 PolarHBondContact O-N 3.16Å; L208-L216 HydrophobicContact CG-CD1 4.08Å
209F80.7Confident78.4Confident9 Ų953 Ų534%0.03930%0.297CS..Hα-helixtrans-87.7-34.1-175.6-69-28.3000115I127 I205 Y206 S214 L216 I221I127-F209 HydrophobicContact CB-CE1 4.06Å; I127-F209 HydrophobicContact CB-CZ 4.17Å; I127-F209 HydrophobicContact CD1-CD1 4.44Å; I127-F209 HydrophobicContact CD1-CE1 3.54Å; I127-F209 HydrophobicContact CD1-CE2 4.25Å; I127-F209 HydrophobicContact CD1-CZ 3.42Å; I127-F209 VanDerWaalsContact CD1-CZ 3.42Å; I127-F209 HydrophobicContact CG1-CD1 4.47Å; I127-F209 HydrophobicContact CG1-CE1 3.47Å; I127-F209 VanDerWaalsContact CG1-CE1 3.47Å; I127-F209 HydrophobicContact CG1-CZ 3.78Å; I127-F209 HydrophobicContact CG2-CE1 3.67Å; I127-F209 HydrophobicContact CG2-CZ 3.43Å; I127-F209 VanDerWaalsContact CG2-CZ 3.43Å; I205-F209 HydrophobicContact CG2-CD2 3.53Å; I205-F209 HydrophobicContact CG2-CE2 3.1Å; I205-F209 HydrophobicContact CG2-CG 4.41Å; I205-F209 HydrophobicContact CG2-CZ 3.65Å; I205-F209 WeakPolarHBondContact O-CG 3.38Å; I205-F209 PolarHBondContact O-N 3.4Å; Y206-F209 PolarHBondContact O-N 3.27Å; F209-S214 WeakPolarHBondContact O-CB 3.38Å; F209-S214 PolarHBondContact O-OG 3.22Å; F209-L216 HydrophobicContact CD1-CB 4.23Å; F209-L216 HydrophobicContact CD1-CD1 3.52Å; F209-L216 HydrophobicContact CD1-CG 4.46Å; F209-L216 HydrophobicContact CE1-CD1 3.8Å; F209-I221 HydrophobicContact CD2-CG2 4.25Å; F209-I221 HydrophobicContact CE2-CD1 4.29Å; F209-I221 HydrophobicContact CE2-CG2 4.22Å
210F83.4Confident77.3Confident36 Ų3655.4 Ų55.416%0.15832%0.323CS..SBendtrans-122.825.4-162.2-48.1-54.4000113.2Y206 I221 T222 P223 F226Y206-F210 HydrophobicContact CD1-CB 4.49Å; Y206-F210 AromaticContact CD1-CD2 3.96Å; Y206-F210 HydrophobicContact CD1-CD2 3.96Å; Y206-F210 AromaticContact CD2-CD2 3.59Å; Y206-F210 HydrophobicContact CD2-CD2 3.59Å; Y206-F210 AromaticContact CD2-CE2 3.78Å; Y206-F210 HydrophobicContact CD2-CE2 3.78Å; Y206-F210 HydrophobicContact CE1-CB 4.19Å; Y206-F210 AromaticContact CE1-CD2 3.95Å; Y206-F210 HydrophobicContact CE1-CD2 3.95Å; Y206-F210 AromaticContact CE2-CD2 3.57Å; Y206-F210 HydrophobicContact CE2-CD2 3.57Å; Y206-F210 AromaticContact CE2-CE2 3.85Å; Y206-F210 HydrophobicContact CE2-CE2 3.85Å; Y206-F210 AromaticContact CG-CD2 3.77Å; Y206-F210 HydrophobicContact CG-CD2 3.77Å; Y206-F210 HydrophobicContact CG-CE2 4.31Å; Y206-F210 AromaticContact CZ-CD2 3.75Å; Y206-F210 WeakPolarHBondContact O-CD2 3.44Å; Y206-F210 PolarHBondContact O-N 2.95Å; F210-I221 HydrophobicContact CZ-CG2 4.24Å; F210-T222 VanDerWaalsContact CZ-C 3.44Å; F210-P223 HydrophobicContact CB-CG 4.47Å; F210-P223 HydrophobicContact CD1-CB 4.49Å; F210-P223 HydrophobicContact CD1-CG 3.53Å; F210-P223 HydrophobicContact CD2-CG 4.37Å; F210-P223 VanDerWaalsContact CE1-CD 3.43Å; F210-P223 HydrophobicContact CE1-CG 3.74Å; F210-P223 HydrophobicContact CG-CG 3.86Å; F210-P223 HydrophobicContact CZ-CG 4.25Å; F210-F226 HydrophobicContact CE2-CB 4.02Å; F210-F226 AromaticContact CE2-CD1 3.83Å; F210-F226 HydrophobicContact CE2-CD1 3.83Å; F210-F226 HydrophobicContact CE2-CG 4.27Å; F210-F226 HydrophobicContact CZ-CB 3.97Å; F210-F226 HydrophobicContact CZ-CD1 4.49Å
211T75.9Confident76.6Confident54 Ų5451 Ų5133%0.33131%0.307SS..SBendtrans-87156.5163.844.10000110.5H9 N207 D213 S214H9-T211 VanDerWaalsContact CE1-CG2 3.49Å; H9-T211 WeakPolarHBondContact CE1-CG2 3.25Å; N207-T211 WeakPolarHBondContact O-CB 3.1Å; N207-T211 WeakPolarHBondContact O-CG2 3.32Å; N207-T211 PolarHBondContact O-OG1 3.37Å; T211-D213 PolarHBondContact O-N 2.7Å; T211-D213 VanDerWaalsContact O-N 3.13Å; T211-S214 VanDerWaalsContact O-CB 3.23Å; T211-S214 WeakPolarHBondContact O-CB 3.45Å; T211-S214 PolarHBondContact O-N 3.24Å; T211-S214 VanDerWaalsContact O-N 3.11Å
212E62.4Low76.3Confident207 Ų20752.6 Ų52.697%0.96732%0.318SS*.THydrogen-bonded Turntrans-58.9-26.9-173.9-66.3-172.7158.500113.4
213D62.8Low76.1Confident159 Ų15953.9 Ų53.985%0.8533%0.327SS*.THydrogen-bonded Turntrans-90.910.5-179-61.5-40.1000114.3T211 D215T211-D213 PolarHBondContact O-N 2.7Å; T211-D213 VanDerWaalsContact O-N 3.13Å; D213-D215 PolarHBondContact O-N 3.16Å; D213-D215 VanDerWaalsContact O-N 3.16Å
214S66.4Low76.1Confident31 Ų3155.6 Ų55.622%0.21734%0.337CS..  trans-74.6106-174.6169.50000113F209 T211 L216F209-S214 WeakPolarHBondContact O-CB 3.38Å; F209-S214 PolarHBondContact O-OG 3.22Å; T211-S214 VanDerWaalsContact O-CB 3.23Å; T211-S214 WeakPolarHBondContact O-CB 3.45Å; T211-S214 PolarHBondContact O-N 3.24Å; T211-S214 VanDerWaalsContact O-N 3.11Å; S214-L216 PolarHBondContact O-N 2.9Å; S214-L216 PolarHBondContact OG-N 2.99Å
215D62.9Low76.2Confident152 Ų15252.4 Ų52.481%0.81333%0.327SS*.THydrogen-bonded Turntrans-69.98.4169.5-111.71.9000113.8D213 G217D213-D215 PolarHBondContact O-N 3.16Å; D213-D215 VanDerWaalsContact O-N 3.16Å; D215-G217 VanDerWaalsContact C-N 3.32Å
216L63Low76.4Confident21 Ų2152.5 Ų52.511%0.1133%0.327CS..THydrogen-bonded Turntrans-92.87.9-178.1-61.6165.6000112.6K126 I127 A130 L208 F209 S214 G218 S219K126-L216 HydrophobicContact CB-CD2 3.96Å; I127-L216 HydrophobicContact CG1-CD2 4.2Å; A130-L216 HydrophobicContact CB-CD1 4.41Å; A130-L216 HydrophobicContact CB-CD2 4.39Å; L208-L216 HydrophobicContact CG-CD1 4.08Å; F209-L216 HydrophobicContact CD1-CB 4.23Å; F209-L216 HydrophobicContact CD1-CD1 3.52Å; F209-L216 HydrophobicContact CD1-CG 4.46Å; F209-L216 HydrophobicContact CE1-CD1 3.8Å; S214-L216 PolarHBondContact O-N 2.9Å; S214-L216 PolarHBondContact OG-N 2.99Å; L216-G218 PolarHBondContact O-N 3.3Å; L216-S219 WeakPolarHBondContact O-CB 3.44Å; L216-S219 PolarHBondContact O-N 3.06Å; L216-S219 PolarHBondContact O-OG 2.76Å
217G55.2Low76.7Confident66 Ų6652.6 Ų52.668%0.6833%0.328SS*.THydrogen-bonded Turntrans-52.8117.2165.100000110.9D215D215-G217 VanDerWaalsContact C-N 3.32Å
218G61.4Low77.2Confident73 Ų7351.2 Ų51.275%0.75332%0.32SS*.THydrogen-bonded Turntrans104.34.2-175.500000115L216 G220L216-G218 PolarHBondContact O-N 3.3Å; G218-G220 PolarHBondContact O-N 2.92Å
219S66.6Low77.9Confident7 Ų750 Ų505%0.04931%0.314CS..SBendtrans-63.7-15.9172.166.60000114.5Y148 L216 I221Y148-S219 WeakPolarHBondContact CE2-O 3.5Å; L216-S219 WeakPolarHBondContact O-CB 3.44Å; L216-S219 PolarHBondContact O-N 3.06Å; L216-S219 PolarHBondContact O-OG 2.76Å; S219-I221 PolarHBondContact O-N 2.96Å; S219-I221 PolarHBondContact OG-N 3.11Å; S219-I221 VanDerWaalsContact OG-N 3.13Å; S219-I221 PolarHBondContact OG-O 2.87Å
220G73Confident78.6Confident52 Ų5249.6 Ų49.654%0.53631%0.312SS..SBendtrans79.4-10.4-169.100000113.6G218G218-G220 PolarHBondContact O-N 2.92Å
221I79Confident79.2Confident16 Ų1647.9 Ų47.98%0.08230%0.304CS..  trans-90.2128.3172.6-56.3-169.3000108.3L124 I127 Y148 F209 F210 S219 F226L124-I221 HydrophobicContact CD1-CD1 3.74Å; I127-I221 HydrophobicContact CD1-CD1 3.72Å; I127-I221 HydrophobicContact CD1-CG1 4.19Å; Y148-I221 HydrophobicContact CD2-CG1 4.19Å; F209-I221 HydrophobicContact CD2-CG2 4.25Å; F209-I221 HydrophobicContact CE2-CD1 4.29Å; F209-I221 HydrophobicContact CE2-CG2 4.22Å; F210-I221 HydrophobicContact CZ-CG2 4.24Å; S219-I221 PolarHBondContact O-N 2.96Å; S219-I221 PolarHBondContact OG-N 3.11Å; S219-I221 VanDerWaalsContact OG-N 3.13Å; S219-I221 PolarHBondContact OG-O 2.87Å; I221-F226 HydrophobicContact CG2-CB 3.61Å; I221-F226 HydrophobicContact CG2-CD2 4.09Å; I221-F226 HydrophobicContact CG2-CG 4.07Å
222T87.4Confident80.2Confident58 Ų5846.6 Ų46.636%0.35629%0.293SS..  trans-124.4161.4-177.270.40000109.8F210 V224 T225 F226F210-T222 VanDerWaalsContact CZ-C 3.44Å; T222-V224 PolarHBondContact O-N 2.87Å; T222-V224 PolarHBondContact OG1-N 3.41Å; T222-T225 PolarHBondContact N-OG1 3.07Å; T222-T225 PolarHBondContact O-N 3.41Å; T222-T225 PolarHBondContact O-OG1 2.88Å; T222-T225 PolarHBondContact OG1-N 3.33Å; T222-T225 PolarHBondContact OG1-OG1 3.46Å; T222-T225 VanDerWaalsContact OG1-OG1 3.06Å; T222-F226 WeakPolarHBondContact O-CB 3.39Å; T222-F226 PolarHBondContact O-N 2.92Å
223P89.6Confident81.8Confident26 Ų2636.8 Ų36.817%0.16925%0.247CC..THydrogen-bonded Turntrans-59.3-20.3173-21.831.1000113.8V5 F210V5-P223 HydrophobicContact CG1-CB 4.31Å; V5-P223 HydrophobicContact CG1-CG 4.24Å; V5-P223 HydrophobicContact CG2-CB 3.48Å; V5-P223 VanDerWaalsContact CG2-CB 3.48Å; V5-P223 HydrophobicContact CG2-CG 3.92Å; F210-P223 HydrophobicContact CB-CG 4.47Å; F210-P223 HydrophobicContact CD1-CB 4.49Å; F210-P223 HydrophobicContact CD1-CG 3.53Å; F210-P223 HydrophobicContact CD2-CG 4.37Å; F210-P223 VanDerWaalsContact CE1-CD 3.43Å; F210-P223 HydrophobicContact CE1-CG 3.74Å; F210-P223 HydrophobicContact CG-CG 3.86Å; F210-P223 HydrophobicContact CZ-CG 4.25Å
224V91.7Very high83.4Confident36 Ų3629.2 Ų29.222%0.21821%0.207CC..THydrogen-bonded Turntrans-81.2-31.1178.8177.20000111.6M1 F51 P52 T222 T227M1-V224 HydrophobicContact CG-CG2 4.15Å; M1-V224 HydrophobicContact SD-CG2 3.83Å; F51-V224 HydrophobicContact CB-CG1 4.35Å; F51-V224 HydrophobicContact CD1-CG1 4.15Å; F51-V224 HydrophobicContact CE1-CG2 4.25Å; F51-V224 HydrophobicContact CE2-CG2 4.48Å; F51-V224 HydrophobicContact CG-CG1 4.15Å; F51-V224 HydrophobicContact CZ-CG2 4.23Å; P52-V224 VanDerWaalsContact CD-CG1 3.47Å; P52-V224 HydrophobicContact CG-CG1 4.07Å; T222-V224 PolarHBondContact O-N 2.87Å; T222-V224 PolarHBondContact OG1-N 3.41Å; V224-T227 WeakPolarHBondContact O-CG2 3.23Å
225T91.8Very high84.8Confident22 Ų2228 Ų2814%0.13520%0.198CC..THydrogen-bonded Turntrans-95.9-31.6-179.852.40000112.5F151 T222 T227 N230F151-T225 HydrophobicContact CB-CG2 3.97Å; F151-T225 HydrophobicContact CD1-CG2 3.61Å; F151-T225 HydrophobicContact CD2-CG2 3.82Å; F151-T225 HydrophobicContact CE1-CG2 4.03Å; F151-T225 HydrophobicContact CE2-CG2 4.2Å; F151-T225 WeakPolarHBondContact CE2-O 3.36Å; F151-T225 HydrophobicContact CG-CG2 3.5Å; F151-T225 VanDerWaalsContact CG-CG2 3.5Å; F151-T225 HydrophobicContact CZ-CG2 4.31Å; T222-T225 PolarHBondContact N-OG1 3.07Å; T222-T225 PolarHBondContact O-N 3.41Å; T222-T225 PolarHBondContact O-OG1 2.88Å; T222-T225 PolarHBondContact OG1-N 3.33Å; T222-T225 PolarHBondContact OG1-OG1 3.46Å; T222-T225 VanDerWaalsContact OG1-OG1 3.06Å; T225-T227 VanDerWaalsContact C-N 3.34Å; T225-T227 PolarHBondContact O-N 3.46Å; T225-N230 PolarHBondContact O-ND2 3.03Å
226F93.4Very high86.4Confident1 Ų121.1 Ų21.10%0.00416%0.161CC..SBendtrans-90.565.7175.9-164.4-101.1000111.5L144 L147 Y202 I205 Y206 F210 I221 T222 F231L144-F226 HydrophobicContact CD2-CD2 4.35Å; L144-F226 HydrophobicContact CD2-CE2 3.57Å; L144-F226 HydrophobicContact CD2-CZ 4.37Å; L147-F226 HydrophobicContact CD1-CD2 3.85Å; L147-F226 HydrophobicContact CD1-CE2 3.98Å; Y202-F226 HydrophobicContact CD2-CD1 4.26Å; Y202-F226 AromaticContact CD2-CE1 3.58Å; Y202-F226 HydrophobicContact CD2-CE1 3.58Å; Y202-F226 HydrophobicContact CD2-CZ 4.01Å; Y202-F226 AromaticContact CE2-CD1 3.83Å; Y202-F226 HydrophobicContact CE2-CD1 3.83Å; Y202-F226 AromaticContact CE2-CE1 3.61Å; Y202-F226 HydrophobicContact CE2-CE1 3.61Å; Y202-F226 HydrophobicContact CE2-CZ 4.38Å; I205-F226 HydrophobicContact CB-CE1 4.13Å; I205-F226 HydrophobicContact CB-CZ 3.84Å; I205-F226 HydrophobicContact CD1-CZ 4.45Å; I205-F226 HydrophobicContact CG2-CE1 3.73Å; I205-F226 HydrophobicContact CG2-CE2 4.03Å; I205-F226 HydrophobicContact CG2-CZ 3.36Å; Y206-F226 HydrophobicContact CD2-CD1 4.01Å; Y206-F226 HydrophobicContact CD2-CE1 4.42Å; F210-F226 HydrophobicContact CE2-CB 4.02Å; F210-F226 AromaticContact CE2-CD1 3.83Å; F210-F226 HydrophobicContact CE2-CD1 3.83Å; F210-F226 HydrophobicContact CE2-CG 4.27Å; F210-F226 HydrophobicContact CZ-CB 3.97Å; F210-F226 HydrophobicContact CZ-CD1 4.49Å; I221-F226 HydrophobicContact CG2-CB 3.61Å; I221-F226 HydrophobicContact CG2-CD2 4.09Å; I221-F226 HydrophobicContact CG2-CG 4.07Å; T222-F226 WeakPolarHBondContact O-CB 3.39Å; T222-F226 PolarHBondContact O-N 2.92Å; F226-F231 HydrophobicContact CE2-CB 4.2Å; F226-F231 AromaticContact CE2-CD2 3.46Å; F226-F231 HydrophobicContact CE2-CD2 3.46Å; F226-F231 VanDerWaalsContact CE2-CD2 3.46Å; F226-F231 HydrophobicContact CE2-CE2 4.15Å; F226-F231 HydrophobicContact CE2-CG 4.07Å; F226-F231 HydrophobicContact CZ-CB 4.26Å; F226-F231 AromaticContact CZ-CD2 3.58Å; F226-F231 HydrophobicContact CZ-CD2 3.58Å; F226-F231 HydrophobicContact CZ-CE2 4.08Å; F226-F231 AromaticContact CZ-CG 3.93Å; F226-F231 HydrophobicContact CZ-CG 3.93Å
227T95.8Very high88Confident3 Ų320.1 Ų20.12%0.01816%0.156CC..  trans-84.2162.8172.469.70000111Q48 F51 V224 T225 N230 F231Q48-T227 HydrophobicContact CB-CG2 4.11Å; Q48-T227 HydrophobicContact CG-CG2 4.4Å; Q48-T227 VanDerWaalsContact OE1-CB 3.28Å; F51-T227 HydrophobicContact CB-CG2 3.76Å; F51-T227 HydrophobicContact CD2-CG2 3.72Å; F51-T227 HydrophobicContact CG-CG2 4.27Å; V224-T227 WeakPolarHBondContact O-CG2 3.23Å; T225-T227 VanDerWaalsContact C-N 3.34Å; T225-T227 PolarHBondContact O-N 3.46Å; T227-N230 PolarHBondContact O-N 2.94Å; T227-N230 VanDerWaalsContact OG1-CB 3.25Å; T227-N230 WeakPolarHBondContact OG1-CB 3.49Å; T227-N230 PolarHBondContact OG1-N 3.23Å; T227-N230 PolarHBondContact OG1-ND2 2.85Å; T227-N230 VanDerWaalsContact OG1-ND2 3.14Å; T227-F231 WeakPolarHBondContact O-CB 3.2Å; T227-F231 PolarHBondContact O-N 3.35Å
228F96.6Very high89.9Confident0 Ų017 Ų170%012%0.124CC..Hα-helixtrans-62.1-47.6175.1-172-95.8000111.1M15 V41 I44 F172 I198 Y202 N230 F231 R232M15-F228 HydrophobicContact CE-CE2 4.45Å; V41-F228 HydrophobicContact CB-CE1 4.13Å; V41-F228 HydrophobicContact CB-CZ 4.5Å; V41-F228 HydrophobicContact CG1-CD1 3.57Å; V41-F228 HydrophobicContact CG1-CE1 3.21Å; V41-F228 HydrophobicContact CG1-CZ 4Å; V41-F228 HydrophobicContact CG2-CD1 4.49Å; V41-F228 HydrophobicContact CG2-CE1 3.82Å; V41-F228 HydrophobicContact CG2-CE2 4.28Å; V41-F228 HydrophobicContact CG2-CZ 3.69Å; I44-F228 HydrophobicContact CG2-CB 3.75Å; F172-F228 AromaticContact CD1-CE1 3.98Å; F172-F228 HydrophobicContact CD1-CE1 3.98Å; F172-F228 HydrophobicContact CD1-CZ 4.34Å; F172-F228 AromaticContact CE1-CE1 3.64Å; F172-F228 HydrophobicContact CE1-CE1 3.64Å; F172-F228 AromaticContact CE1-CZ 3.54Å; F172-F228 HydrophobicContact CE1-CZ 3.54Å; F172-F228 HydrophobicContact CZ-CE1 4.21Å; F172-F228 AromaticContact CZ-CZ 3.84Å; F172-F228 HydrophobicContact CZ-CZ 3.84Å; I198-F228 HydrophobicContact CG2-CE2 4.45Å; I198-F228 HydrophobicContact CG2-CZ 4.28Å; Y202-F228 AromaticContact CD1-CD2 3.48Å; Y202-F228 HydrophobicContact CD1-CD2 3.48Å; Y202-F228 VanDerWaalsContact CD1-CD2 3.48Å; Y202-F228 HydrophobicContact CD1-CE2 4.16Å; Y202-F228 AromaticContact CD2-CD2 3.97Å; Y202-F228 HydrophobicContact CD2-CD2 3.97Å; Y202-F228 HydrophobicContact CE1-CB 4.12Å; Y202-F228 AromaticContact CE1-CD2 3.85Å; Y202-F228 HydrophobicContact CE1-CD2 3.85Å; Y202-F228 HydrophobicContact CE1-CG 4.49Å; Y202-F228 HydrophobicContact CE2-CB 4.14Å; Y202-F228 HydrophobicContact CE2-CD2 4.34Å; Y202-F228 AromaticContact CG-CD2 3.51Å; Y202-F228 HydrophobicContact CG-CD2 3.51Å; Y202-F228 HydrophobicContact CG-CE2 4.06Å; Y202-F228 PolarHBondContact OH-N 3Å; F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 3.34Å; F228-F231 PolarHBondContact O-N 2.83Å; F228-R232 HydrophobicContact CE1-CB 4.36Å; F228-R232 WeakPolarHBondContact O-CG 3.47Å; F228-R232 PolarHBondContact O-N 3.21Å
229E96.2Very high91.5Very high22 Ų2215.4 Ų15.410%0.10310%0.099CC..Hα-helixtrans-52.7-47.4174-176.2175.7-143.100112R53 Y55 R232 W233R53-E229 IonicContact CZ-OE1 3Å; R53-E229 IonicContact CZ-OE2 3.48Å; R53-E229 VanDerWaalsContact NE-CD 3.33Å; R53-E229 IonicContact NE-OE1 3.89Å; R53-E229 PolarHBondContact NE-OE1 3.49Å; R53-E229 IonicContact NE-OE2 2.94Å; R53-E229 PolarHBondContact NE-OE2 2.87Å; R53-E229 IonicContact NH2-OE1 3.34Å; R53-E229 PolarHBondContact NH2-OE1 3.02Å; R53-E229 VanDerWaalsContact NH2-OE1 3.09Å; R53-E229 IonicContact NH2-OE2 3.35Å; Y55-E229 HydrophobicContact CE1-CG 4.19Å; Y55-E229 PolarHBondContact OH-OE1 2.93Å; Y55-E229 VanDerWaalsContact OH-OE1 3.06Å; E229-R232 VanDerWaalsContact O-CG 3.28Å; E229-R232 WeakPolarHBondContact O-CG 3.31Å; E229-W233 WeakPolarHBondContact O-CB 3.39Å; E229-W233 PolarHBondContact O-N 2.84Å; E229-W233 VanDerWaalsContact O-N 3.08Å
230N96.4Very high92.8Very high0 Ų015.8 Ų15.80%010%0.102CC..Hα-helixtrans-66.6-44.1178.9-70.7-19.7000111.4P52 R53 A54 L147 F151 T225 T227 F228 W233 A234P52-N230 PolarHBondContact O-ND2 2.86Å; R53-N230 WeakPolarHBondContact CA-OD1 3.44Å; A54-N230 HydrophobicContact CB-CB 4.04Å; A54-N230 WeakPolarHBondContact CB-OD1 3.4Å; A54-N230 PolarHBondContact N-OD1 3.43Å; L147-N230 HydrophobicContact CD2-CB 3.76Å; L147-N230 WeakPolarHBondContact CD2-O 3.31Å; F151-N230 WeakPolarHBondContact CZ-ND2 3.48Å; T225-N230 PolarHBondContact O-ND2 3.03Å; T227-N230 PolarHBondContact O-N 2.94Å; T227-N230 VanDerWaalsContact OG1-CB 3.25Å; T227-N230 WeakPolarHBondContact OG1-CB 3.49Å; T227-N230 PolarHBondContact OG1-N 3.23Å; T227-N230 PolarHBondContact OG1-ND2 2.85Å; T227-N230 VanDerWaalsContact OG1-ND2 3.14Å; F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 3.34Å; N230-W233 PolarHBondContact O-N 3.47Å; N230-A234 PolarHBondContact O-N 3.23Å
231F95.9Very high93.9Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-64.8-45.1179.9-178.5-106.2000113T140 L144 L147 I198 Q201 Y202 I205 F226 T227 F228 W233 A234 M235T140-F231 HydrophobicContact CG2-CE2 4.39Å; T140-F231 HydrophobicContact CG2-CZ 4.21Å; L144-F231 HydrophobicContact CD2-CD2 4.46Å; L144-F231 HydrophobicContact CD2-CE2 4.27Å; L147-F231 HydrophobicContact CD1-CB 4.32Å; L147-F231 HydrophobicContact CD1-CD2 4.18Å; I198-F231 HydrophobicContact CG2-CD1 4.13Å; I198-F231 HydrophobicContact CG2-CE1 4.1Å; Q201-F231 HydrophobicContact CB-CE1 4.02Å; Q201-F231 HydrophobicContact CB-CZ 3.9Å; Y202-F231 HydrophobicContact CD2-CB 3.83Å; Y202-F231 AromaticContact CD2-CD1 3.88Å; Y202-F231 HydrophobicContact CD2-CD1 3.88Å; Y202-F231 AromaticContact CD2-CG 3.98Å; Y202-F231 HydrophobicContact CD2-CG 3.98Å; Y202-F231 HydrophobicContact CE2-CB 4.34Å; Y202-F231 HydrophobicContact CG-CD1 4.25Å; I205-F231 HydrophobicContact CD1-CE2 3.9Å; I205-F231 HydrophobicContact CD1-CZ 3.92Å; F226-F231 HydrophobicContact CE2-CB 4.2Å; F226-F231 AromaticContact CE2-CD2 3.46Å; F226-F231 HydrophobicContact CE2-CD2 3.46Å; F226-F231 VanDerWaalsContact CE2-CD2 3.46Å; F226-F231 HydrophobicContact CE2-CE2 4.15Å; F226-F231 HydrophobicContact CE2-CG 4.07Å; F226-F231 HydrophobicContact CZ-CB 4.26Å; F226-F231 AromaticContact CZ-CD2 3.58Å; F226-F231 HydrophobicContact CZ-CD2 3.58Å; F226-F231 HydrophobicContact CZ-CE2 4.08Å; F226-F231 AromaticContact CZ-CG 3.93Å; F226-F231 HydrophobicContact CZ-CG 3.93Å; T227-F231 WeakPolarHBondContact O-CB 3.2Å; T227-F231 PolarHBondContact O-N 3.35Å; F228-F231 PolarHBondContact O-N 2.83Å; F231-W233 VanDerWaalsContact C-N 3.32Å; F231-W233 PolarHBondContact O-N 2.86Å; F231-A234 PolarHBondContact O-N 2.82Å; F231-M235 HydrophobicContact CD1-CG 4.21Å; F231-M235 HydrophobicContact CD2-CG 4.43Å; F231-M235 HydrophobicContact CE1-CG 3.78Å; F231-M235 HydrophobicContact CE2-CG 4.02Å; F231-M235 HydrophobicContact CE2-SD 4.25Å; F231-M235 HydrophobicContact CZ-CG 3.68Å; F231-M235 HydrophobicContact CZ-SD 3.9Å; F231-M235 WeakPolarHBondContact O-CB 3.41Å; F231-M235 WeakPolarHBondContact O-CG 3.34Å; F231-M235 PolarHBondContact O-N 3.03Å
232R96.4Very high94.6Very high27 Ų2715 Ų1510%0.1029%0.087CC..Hα-helixtrans-64.2-38.2176.773.7175-176.9-139.6-9.7111.6D45 D167 F172 I198 F228 E229 M235 F236D45-R232 IonicContact OD1-NH1 3.38Å; D45-R232 IonicContact OD2-CZ 3.74Å; D45-R232 IonicContact OD2-NH1 3.41Å; D45-R232 PolarHBondContact OD2-NH1 3.47Å; D45-R232 IonicContact OD2-NH2 2.81Å; D45-R232 PolarHBondContact OD2-NH2 3.32Å; D167-R232 WeakPolarHBondContact OD2-CD 3.28Å; D167-R232 WeakPolarHBondContact OD2-CG 3.47Å; D167-R232 IonicContact OD2-CZ 3.09Å; D167-R232 IonicContact OD2-NE 2.79Å; D167-R232 PolarHBondContact OD2-NE 2.95Å; D167-R232 IonicContact OD2-NH2 3.36Å; F172-R232 HydrophobicContact CD2-CB 4.11Å; F172-R232 HydrophobicContact CE2-CB 4.07Å; I198-R232 HydrophobicContact CG2-CB 4.07Å; F228-R232 HydrophobicContact CE1-CB 4.36Å; F228-R232 WeakPolarHBondContact O-CG 3.47Å; F228-R232 PolarHBondContact O-N 3.21Å; E229-R232 VanDerWaalsContact O-CG 3.28Å; E229-R232 WeakPolarHBondContact O-CG 3.31Å; R232-M235 PolarHBondContact O-N 2.91Å; R232-F236 WeakPolarHBondContact O-CB 3.49Å; R232-F236 PolarHBondContact O-N 3.08Å
233W96.9Very high94.8Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-59.8-49.6174.4164.579.5000110.9A54 Y55 L146 L147 I161 L164 P165 D167 E229 N230 F231 M235 F236 M237A54-W233 HydrophobicContact CB-CD2 4.33Å; A54-W233 HydrophobicContact CB-CE3 3.52Å; A54-W233 HydrophobicContact CB-CH2 4.29Å; A54-W233 HydrophobicContact CB-CZ3 3.51Å; Y55-W233 HydrophobicContact CD1-CB 3.81Å; Y55-W233 AromaticContact CD1-CD1 3.45Å; Y55-W233 VanDerWaalsContact CD1-CD1 3.45Å; Y55-W233 AromaticContact CD1-CD2 3.82Å; Y55-W233 HydrophobicContact CD1-CD2 3.82Å; Y55-W233 AromaticContact CD1-CG 3.39Å; Y55-W233 HydrophobicContact CD1-CG 3.39Å; Y55-W233 AromaticContact CD1-NE1 3.89Å; Y55-W233 HydrophobicContact CE1-CB 3.87Å; Y55-W233 AromaticContact CE1-CG 3.94Å; Y55-W233 HydrophobicContact CE1-CG 3.94Å; Y55-W233 AromaticContact CG-CD1 3.86Å; Y55-W233 HydrophobicContact CG-CD2 4.44Å; Y55-W233 HydrophobicContact CG-CG 4.18Å; Y55-W233 AromaticContact CG-NE1 3.91Å; L146-W233 HydrophobicContact CD1-CH2 3.9Å; L146-W233 HydrophobicContact CD1-CZ3 4.42Å; L146-W233 HydrophobicContact CD2-CE3 4.43Å; L146-W233 HydrophobicContact CD2-CH2 3.62Å; L146-W233 HydrophobicContact CD2-CZ2 4.11Å; L146-W233 HydrophobicContact CD2-CZ3 3.78Å; L146-W233 HydrophobicContact CG-CH2 3.64Å; L146-W233 HydrophobicContact CG-CZ3 3.72Å; L147-W233 HydrophobicContact CD2-CE3 4.22Å; L147-W233 HydrophobicContact CD2-CZ3 4.22Å; I161-W233 HydrophobicContact CG2-CH2 4.2Å; L164-W233 HydrophobicContact CB-CZ2 4.14Å; L164-W233 HydrophobicContact CD1-CH2 4.34Å; L164-W233 HydrophobicContact CD1-CZ2 4Å; P165-W233 PolarHBondContact O-NE1 2.93Å; D167-W233 HydrophobicContact CB-CB 4.25Å; E229-W233 WeakPolarHBondContact O-CB 3.39Å; E229-W233 PolarHBondContact O-N 2.84Å; E229-W233 VanDerWaalsContact O-N 3.08Å; N230-W233 PolarHBondContact O-N 3.47Å; F231-W233 VanDerWaalsContact C-N 3.32Å; F231-W233 PolarHBondContact O-N 2.86Å; W233-M235 VanDerWaalsContact C-N 3.32Å; W233-M235 PolarHBondContact O-N 3.38Å; W233-F236 PolarHBondContact O-N 3.42Å; W233-F236 VanDerWaalsContact O-N 3.15Å; W233-M237 HydrophobicContact CD2-CG 4.25Å; W233-M237 HydrophobicContact CZ2-CG 4Å; W233-M237 WeakPolarHBondContact O-CG 3.41Å; W233-M237 PolarHBondContact O-N 3.26Å
234A96Very high94.8Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-66-36.3-178.500000112.6A143 L146 L147 N230 F231 M237 A238A143-A234 HydrophobicContact CB-CB 3.97Å; A143-A234 WeakPolarHBondContact CB-O 3.48Å; A143-A234 WeakPolarHBondContact O-CB 3.14Å; L146-A234 HydrophobicContact CD2-CB 4.21Å; L147-A234 HydrophobicContact CD1-CB 4.2Å; L147-A234 HydrophobicContact CD2-CB 3.91Å; L147-A234 HydrophobicContact CG-CB 3.55Å; N230-A234 PolarHBondContact O-N 3.23Å; F231-A234 PolarHBondContact O-N 2.82Å; A234-M237 PolarHBondContact O-N 3.01Å; A234-A238 WeakPolarHBondContact O-CB 3.35Å; A234-A238 PolarHBondContact O-N 3.37Å
235M95.9Very high94.4Very high6 Ų618.8 Ų18.83%0.0310%0.098CC..Hα-helixtrans-62.1-45.7171.5-76.2-63.2-62.200111.5T140 A143 I198 F231 R232 W233 M237 A238 V239T140-M235 HydrophobicContact CG2-SD 4.35Å; A143-M235 HydrophobicContact CB-CG 3.99Å; A143-M235 HydrophobicContact CB-SD 3.51Å; A143-M235 VanDerWaalsContact CB-SD 3.51Å; I198-M235 HydrophobicContact CD1-CB 3.91Å; I198-M235 HydrophobicContact CG1-CB 4.13Å; I198-M235 HydrophobicContact CG1-CE 4.2Å; I198-M235 HydrophobicContact CG1-CG 4.24Å; F231-M235 HydrophobicContact CD1-CG 4.21Å; F231-M235 HydrophobicContact CD2-CG 4.43Å; F231-M235 HydrophobicContact CE1-CG 3.78Å; F231-M235 HydrophobicContact CE2-CG 4.02Å; F231-M235 HydrophobicContact CE2-SD 4.25Å; F231-M235 HydrophobicContact CZ-CG 3.68Å; F231-M235 HydrophobicContact CZ-SD 3.9Å; F231-M235 WeakPolarHBondContact O-CB 3.41Å; F231-M235 WeakPolarHBondContact O-CG 3.34Å; F231-M235 PolarHBondContact O-N 3.03Å; R232-M235 PolarHBondContact O-N 2.91Å; W233-M235 VanDerWaalsContact C-N 3.32Å; W233-M235 PolarHBondContact O-N 3.38Å; M235-M237 VanDerWaalsContact C-N 3.34Å; M235-M237 PolarHBondContact O-N 3.49Å; M235-A238 PolarHBondContact O-N 3Å; M235-V239 VanDerWaalsContact O-CG2 3.32Å; M235-V239 WeakPolarHBondContact O-CG2 3.42Å; M235-V239 PolarHBondContact O-N 3.45Å
236F96.5Very high93.7Very high8 Ų820.4 Ų20.44%0.03511%0.108CC..Hα-helixtrans-63.9-40.2178.3-172.9-114.9000111.6D167 R232 W233 V239 S240D167-F236 HydrophobicContact CB-CD1 4.39Å; R232-F236 WeakPolarHBondContact O-CB 3.49Å; R232-F236 PolarHBondContact O-N 3.08Å; W233-F236 PolarHBondContact O-N 3.42Å; W233-F236 VanDerWaalsContact O-N 3.15Å; F236-V239 PolarHBondContact O-N 3.08Å; F236-S240 WeakPolarHBondContact O-CB 3.47Å; F236-S240 PolarHBondContact O-N 3.22Å; F236-S240 PolarHBondContact O-OG 3.4Å
237M96.6Very high92.4Very high0 Ų022.5 Ų22.50%012%0.122CC..Hα-helixtrans-62-48172.3-68.2-54.499.800111.1L146 L164 P165 W233 A234 M235 V239 S240 R241 F262L146-M237 HydrophobicContact CD2-CB 3.57Å; L146-M237 HydrophobicContact CD2-CG 3.95Å; L164-M237 HydrophobicContact CB-SD 4.24Å; L164-M237 HydrophobicContact CD1-CG 4.43Å; L164-M237 HydrophobicContact CD2-SD 4.37Å; P165-M237 HydrophobicContact CG-CE 3.84Å; P165-M237 HydrophobicContact CG-SD 3.73Å; W233-M237 HydrophobicContact CD2-CG 4.25Å; W233-M237 HydrophobicContact CZ2-CG 4Å; W233-M237 WeakPolarHBondContact O-CG 3.41Å; W233-M237 PolarHBondContact O-N 3.26Å; A234-M237 PolarHBondContact O-N 3.01Å; M235-M237 VanDerWaalsContact C-N 3.34Å; M235-M237 PolarHBondContact O-N 3.49Å; M237-V239 VanDerWaalsContact C-N 3.27Å; M237-V239 PolarHBondContact O-N 2.68Å; M237-S240 PolarHBondContact O-N 3.16Å; M237-S240 PolarHBondContact O-OG 3.29Å; M237-R241 WeakPolarHBondContact O-CA 3.39Å; M237-R241 WeakPolarHBondContact O-CB 3.5Å; M237-R241 PolarHBondContact O-N 2.93Å; M237-F262 HydrophobicContact CB-CE1 3.93Å; M237-F262 HydrophobicContact CB-CZ 3.94Å; M237-F262 VanDerWaalsContact O-CE1 3.32Å; M237-F262 WeakPolarHBondContact O-CE1 3.48Å
238A94.9Very high90.9Very high1 Ų124.9 Ų24.91%0.00814%0.138CC..Hα-helixtrans-62.1-34.1-179.800000112.7T139 L142 A143 A234 M235 G242 F262T139-A238 WeakPolarHBondContact O-CB 3.27Å; L142-A238 HydrophobicContact CB-CB 4.25Å; L142-A238 HydrophobicContact CD2-CB 4.19Å; L142-A238 HydrophobicContact CG-CB 4.34Å; A143-A238 HydrophobicContact CB-CB 4.13Å; A234-A238 WeakPolarHBondContact O-CB 3.35Å; A234-A238 PolarHBondContact O-N 3.37Å; M235-A238 PolarHBondContact O-N 3Å; A238-G242 WeakPolarHBondContact O-CA 3.41Å; A238-G242 PolarHBondContact O-N 2.95Å; A238-F262 HydrophobicContact CB-CZ 4.11Å
239V94.8Very high89.1Confident39 Ų3932.6 Ų32.624%0.23617%0.174CC..Hα-helixtrans-75.4-44.6176.9170.30000111.9M194 M235 F236 M237 H317M194-V239 HydrophobicContact CE-CB 4.48Å; M194-V239 HydrophobicContact CE-CG1 4.03Å; M194-V239 HydrophobicContact CE-CG2 4.42Å; M235-V239 VanDerWaalsContact O-CG2 3.32Å; M235-V239 WeakPolarHBondContact O-CG2 3.42Å; M235-V239 PolarHBondContact O-N 3.45Å; F236-V239 PolarHBondContact O-N 3.08Å; M237-V239 VanDerWaalsContact C-N 3.27Å; M237-V239 PolarHBondContact O-N 2.68Å; V239-H317 HydrophobicContact CG1-CB 3.64Å
240S94.7Very high87.3Confident15 Ų1539.6 Ų39.611%0.10521%0.212CC..Hα-helixtrans-78.6-28.4-175.8570000113.7F236 M237 H317 Y318F236-S240 WeakPolarHBondContact O-CB 3.47Å; F236-S240 PolarHBondContact O-N 3.22Å; F236-S240 PolarHBondContact O-OG 3.4Å; M237-S240 PolarHBondContact O-N 3.16Å; M237-S240 PolarHBondContact O-OG 3.29Å; S240-H317 WeakPolarHBondContact CA-O 3.29Å; S240-H317 VanDerWaalsContact CB-O 3.28Å; S240-H317 WeakPolarHBondContact CB-O 3.19Å; S240-Y318 WeakPolarHBondContact O-CD1 3.39Å; S240-Y318 WeakPolarHBondContact O-CE1 3.43Å
241R95.5Very high85.6Confident33 Ų3340.5 Ų40.513%0.12522%0.218CC..Hα-helixtrans-128.9-5.1-169.6-62.9172170-69.2-19.6114.2M237 N243 F262 D267M237-R241 WeakPolarHBondContact O-CA 3.39Å; M237-R241 WeakPolarHBondContact O-CB 3.5Å; M237-R241 PolarHBondContact O-N 2.93Å; R241-N243 PolarHBondContact O-N 2.86Å; R241-N243 PolarHBondContact O-ND2 3.07Å; R241-F262 HydrophobicContact CB-CD1 3.87Å; R241-F262 HydrophobicContact CB-CE1 3.89Å; R241-D267 IonicContact CZ-OD2 3.66Å; R241-D267 VanDerWaalsContact NH1-CG 3.26Å; R241-D267 PolarHBondContact NH1-O 2.83Å; R241-D267 IonicContact NH1-OD1 3.42Å; R241-D267 IonicContact NH1-OD2 2.7Å; R241-D267 PolarHBondContact NH1-OD2 2.8Å
242G94.2Very high83.8Confident17 Ų1749 Ų4918%0.17525%0.251CS..  trans-71.2123172.500000110.9A238 A261A238-G242 WeakPolarHBondContact O-CA 3.41Å; A238-G242 PolarHBondContact O-N 2.95Å; G242-A261 WeakPolarHBondContact CA-O 3.49Å
243N92.3Very high81.7Confident50 Ų5055.2 Ų55.227%0.26728%0.284SS..EExtended strand (participates in β ladder)trans-123.6146.8-178.1-76.2-88.1000111.2R241 L245 L260 A261 I263 W266R241-N243 PolarHBondContact O-N 2.86Å; R241-N243 PolarHBondContact O-ND2 3.07Å; N243-L245 PolarHBondContact O-N 3.18Å; N243-L260 WeakPolarHBondContact O-CA 3.46Å; N243-A261 PolarHBondContact N-O 2.68Å; N243-A261 PolarHBondContact O-N 2.83Å; N243-I263 HydrophobicContact CB-CD1 3.8Å; N243-I263 HydrophobicContact CB-CG1 4.46Å; N243-W266 HydrophobicContact CB-CZ3 4.33Å; N243-W266 VanDerWaalsContact CG-CZ3 3.43Å; N243-W266 WeakPolarHBondContact ND2-CZ3 3.2Å; N243-W266 VanDerWaalsContact OD1-CH2 3.32Å; N243-W266 WeakPolarHBondContact OD1-CH2 3.48Å
244H87.6Confident79.6Confident141 Ų14162 Ų6265%0.65332%0.316SS*.EExtended strand (participates in β ladder)trans-74.6121.8178.4-79.9-69.1000111S259H244-S259 CarbonylContact C-O 3.53Å; H244-S259 WeakPolarHBondContact CA-O 2.95Å; H244-S259 WeakPolarHBondContact CB-O 3.41Å; H244-S259 PolarHBondContact ND1-O 3.29Å
245L84.7Confident77.6Confident10 Ų1063.5 Ų63.55%0.05232%0.323CS..PPolyproline II helixtrans-79.9130173.8-64.5-175.9000109.6R109 A112 T114 N243 C247 D258 S259 A261 I263 I288R109-L245 HydrophobicContact CG-CD1 4.39Å; A112-L245 HydrophobicContact CB-CD1 4.09Å; A112-L245 HydrophobicContact CB-CD2 4.45Å; T114-L245 HydrophobicContact CG2-CD1 3.75Å; N243-L245 PolarHBondContact O-N 3.18Å; L245-C247 PolarHBondContact O-N 3.16Å; L245-D258 WeakPolarHBondContact CB-O 3.39Å; L245-S259 PolarHBondContact N-O 3.42Å; L245-A261 HydrophobicContact CD1-CB 3.58Å; L245-A261 HydrophobicContact CD2-CB 3.96Å; L245-A261 HydrophobicContact CG-CB 3.54Å; L245-I263 HydrophobicContact CD2-CD1 3.86Å; L245-I263 HydrophobicContact CD2-CG1 3.97Å; L245-I288 HydrophobicContact CD2-CD1 3.51Å; L245-I288 HydrophobicContact CD2-CG1 4.36Å
246P76.1Confident76Confident55 Ų5570.3 Ų70.336%0.35735%0.354SS..PPolyproline II helixtrans-59.7135.4175.315.2-22.3000110.1R109 Y281R109-P246 PolarHBondContact NH1-O 3.23Å; R109-P246 PolarHBondContact NH2-O 2.97Å; P246-Y281 HydrophobicContact CB-CD1 4.09Å; P246-Y281 HydrophobicContact CB-CG 4.07Å; P246-Y281 HydrophobicContact CG-CD1 3.9Å; P246-Y281 HydrophobicContact CG-CD2 3.78Å; P246-Y281 HydrophobicContact CG-CG 3.38Å
247C67.3Low74.2Confident45 Ų4575.6 Ų75.630%0.30437%0.374SS..  trans-106.4132.2-179.1178.80000109.3L245 E249 S251 F255L245-C247 PolarHBondContact O-N 3.16Å; C247-E249 PolarHBondContact O-N 3.1Å; C247-S251 PolarHBondContact SG-OG 2.98Å; C247-S251 VanDerWaalsContact SG-OG 3.4Å; C247-F255 HydrophobicContact CB-CB 4.26Å; C247-F255 WeakPolarHBondContact SG-CB 3.5Å
248P63.3Low72.6Confident54 Ų5476 Ų7635%0.35138%0.376SS..  trans-54.9130168.3-18.228.3000109.6N250 S251P248-N250 PolarHBondContact O-N 2.92Å; P248-S251 WeakPolarHBondContact CD-OG 3.43Å; P248-S251 PolarHBondContact O-N 2.91Å; P248-S251 PolarHBondContact O-OG 3.33Å
249E58.9Low71.7Confident161 Ų16178 Ų7875%0.75239%0.39SS*.G310 helixtrans-50.6-36.4-169.4-73.9-175.3147.500113.5C247 S251C247-E249 PolarHBondContact O-N 3.1Å; E249-S251 PolarHBondContact O-N 2.86Å
250N58.8Low71.4Confident170 Ų17077 Ų7791%0.90938%0.383SS*.G310 helixtrans-81.37.8-176.9-63.6-21.1000114.7P248P248-N250 PolarHBondContact O-N 2.92Å
251S61Low71.3Confident18 Ų1876.2 Ų76.213%0.12638%0.378CS..G310 helixtrans-132.312.4-172.766.50000114.2C247 P248 E249 I253 E254 F255C247-S251 PolarHBondContact SG-OG 2.98Å; C247-S251 VanDerWaalsContact SG-OG 3.4Å; P248-S251 WeakPolarHBondContact CD-OG 3.43Å; P248-S251 PolarHBondContact O-N 2.91Å; P248-S251 PolarHBondContact O-OG 3.33Å; E249-S251 PolarHBondContact O-N 2.86Å; S251-I253 VanDerWaalsContact C-N 3.25Å; S251-I253 PolarHBondContact O-N 3.39Å; S251-E254 PolarHBondContact O-N 3.03Å; S251-F255 VanDerWaalsContact CB-CD2 3.41Å; S251-F255 WeakPolarHBondContact O-CD2 3.46Å; S251-F255 PolarHBondContact O-N 3Å; S251-F255 VanDerWaalsContact O-N 3.1Å; S251-F255 WeakPolarHBondContact OG-CD2 3.43Å; S251-F255 WeakPolarHBondContact OG-CE2 3.49Å
252R56.7Low71.3Confident180 Ų18074.7 Ų74.768%0.67937%0.372SS*.Hα-helixtrans-47.9-40.9-174.8-78.1-175.9172.1-177.30.3114.7F255 E256R252-F255 PolarHBondContact O-N 3.42Å; R252-E256 PolarHBondContact O-N 3.1Å
253I54Low71.4Confident157 Ų15774.1 Ų74.181%0.80537%0.365SS*.Hα-helixtrans-69.9-40.4179.9-59174.9000111.6S251 F255S251-I253 VanDerWaalsContact C-N 3.25Å; S251-I253 PolarHBondContact O-N 3.39Å; I253-F255 VanDerWaalsContact C-N 3.26Å; I253-F255 PolarHBondContact O-N 2.8Å
254E52.1Low71.6Confident141 Ų14171.8 Ų71.866%0.65935%0.352SS*.Hα-helixtrans-70.3-25.4178.5-76.3-167.815400112.7S251S251-E254 PolarHBondContact O-N 3.03Å
255F54.7Low72.1Confident33 Ų3365.8 Ų65.815%0.14533%0.325CS..Hα-helixtrans-111.42.3-171.2-76.4-93.5000114.5R116 C247 S251 R252 I253 R257 D258 S259R116-F255 VanDerWaalsContact NH1-CE1 3.34Å; C247-F255 HydrophobicContact CB-CB 4.26Å; C247-F255 WeakPolarHBondContact SG-CB 3.5Å; S251-F255 VanDerWaalsContact CB-CD2 3.41Å; S251-F255 WeakPolarHBondContact O-CD2 3.46Å; S251-F255 PolarHBondContact O-N 3Å; S251-F255 VanDerWaalsContact O-N 3.1Å; S251-F255 WeakPolarHBondContact OG-CD2 3.43Å; S251-F255 WeakPolarHBondContact OG-CE2 3.49Å; R252-F255 PolarHBondContact O-N 3.42Å; I253-F255 VanDerWaalsContact C-N 3.26Å; I253-F255 PolarHBondContact O-N 2.8Å; F255-R257 PolarHBondContact O-N 2.93Å; F255-D258 HydrophobicContact CB-CB 4.4Å; F255-D258 HydrophobicContact CD1-CB 3.78Å; F255-D258 WeakPolarHBondContact CD1-OD2 3.2Å; F255-D258 CarbonylContact O-C 3.48Å; F255-D258 WeakPolarHBondContact O-CA 3.44Å; F255-D258 PolarHBondContact O-N 3.4Å; F255-S259 PolarHBondContact O-N 3.04Å
256E60.8Low72.5Confident149 Ų14966.5 Ų66.570%0.69633%0.327SS*.G310 helixtrans-51-31.2170.2-109.9-175.4-178.800111.7R252 S259R252-E256 PolarHBondContact O-N 3.1Å; E256-S259 WeakPolarHBondContact O-CB 3.48Å; E256-S259 PolarHBondContact O-N 3.45Å; E256-S259 PolarHBondContact O-OG 3.06Å; E256-S259 VanDerWaalsContact O-OG 3.04Å
257R58.7Low73.4Confident118 Ų11864.2 Ų64.245%0.44531%0.311SS..G310 helixtrans-87.3-16.2178.9-55.8-168.7-174.6-156.7-0.6114.6L115 E119 F255 S259L115-R257 WeakPolarHBondContact CB-O 3.24Å; E119-R257 WeakPolarHBondContact OE1-CD 3.31Å; E119-R257 IonicContact OE1-CZ 3.84Å; E119-R257 IonicContact OE1-NE 3.8Å; E119-R257 IonicContact OE1-NH1 3.01Å; E119-R257 PolarHBondContact OE1-NH1 2.8Å; F255-R257 PolarHBondContact O-N 2.93Å; R257-S259 VanDerWaalsContact C-N 3.26Å
258D62.7Low74.7Confident9 Ų962.4 Ų62.45%0.04830%0.299CS..G310 helixtrans-91.15.4167.7-83.8-25.4000111.1T114 R116 L245 F255 L260T114-D258 VanDerWaalsContact CB-OD1 3.31Å; T114-D258 WeakPolarHBondContact CB-OD1 3.36Å; T114-D258 PolarHBondContact OG1-OD1 3.29Å; R116-D258 WeakPolarHBondContact CB-OD1 3.32Å; R116-D258 WeakPolarHBondContact CD-OD2 3.44Å; R116-D258 IonicContact CZ-OD2 3.97Å; R116-D258 IonicContact NE-OD2 2.82Å; R116-D258 IonicContact NH1-OD2 3.94Å; R116-D258 PolarHBondContact NH1-OD2 3.27Å; L245-D258 WeakPolarHBondContact CB-O 3.39Å; F255-D258 HydrophobicContact CB-CB 4.4Å; F255-D258 HydrophobicContact CD1-CB 3.78Å; F255-D258 WeakPolarHBondContact CD1-OD2 3.2Å; F255-D258 CarbonylContact O-C 3.48Å; F255-D258 WeakPolarHBondContact O-CA 3.44Å; F255-D258 PolarHBondContact O-N 3.4Å; D258-L260 PolarHBondContact O-N 3.04Å
259S76.4Confident76.3Confident42 Ų4260 Ų6029%0.29428%0.283SS..SBendtrans-65.3-28.5-171.775.70000111.9H244 L245 F255 E256 R257H244-S259 CarbonylContact C-O 3.53Å; H244-S259 WeakPolarHBondContact CA-O 2.95Å; H244-S259 WeakPolarHBondContact CB-O 3.41Å; H244-S259 PolarHBondContact ND1-O 3.29Å; L245-S259 PolarHBondContact N-O 3.42Å; F255-S259 PolarHBondContact O-N 3.04Å; E256-S259 WeakPolarHBondContact O-CB 3.48Å; E256-S259 PolarHBondContact O-N 3.45Å; E256-S259 PolarHBondContact O-OG 3.06Å; E256-S259 VanDerWaalsContact O-OG 3.04Å; R257-S259 VanDerWaalsContact C-N 3.26Å
260L88.6Confident78Confident18 Ų1852.9 Ų52.99%0.09425%0.25CS..EExtended strand (participates in β ladder)trans-124.5132-178-165.476.6000110.2T139 L142 N243 D258T139-L260 HydrophobicContact CG2-CD2 3.76Å; L142-L260 HydrophobicContact CB-CD2 4.14Å; L142-L260 HydrophobicContact CD2-CD2 3.76Å; L142-L260 HydrophobicContact CD2-CG 3.84Å; N243-L260 WeakPolarHBondContact O-CA 3.46Å; D258-L260 PolarHBondContact O-N 3.04Å
261A93.3Very high79.7Confident0 Ų045.1 Ų45.10%021%0.208CC..EExtended strand (participates in β ladder)trans-147.8156.3-174.200000113A112 L113 T114 G242 N243 L245A112-A261 HydrophobicContact CB-CB 4.1Å; L113-A261 VanDerWaalsContact O-CA 3.27Å; L113-A261 WeakPolarHBondContact O-CA 3.37Å; T114-A261 HydrophobicContact CG2-CB 3.66Å; G242-A261 WeakPolarHBondContact CA-O 3.49Å; N243-A261 PolarHBondContact N-O 2.68Å; N243-A261 PolarHBondContact O-N 2.83Å; L245-A261 HydrophobicContact CD1-CB 3.58Å; L245-A261 HydrophobicContact CD2-CB 3.96Å; L245-A261 HydrophobicContact CG-CB 3.54Å
262F96.1Very high81.2Confident0 Ų046 Ų460%021%0.212CC..EExtended strand (participates in β ladder)trans-84.5133.6156.1-65-77000109.3A112 L113 L142 L146 Y160 M237 A238 R241 P264A112-F262 CarbonylContact C-O 3.56Å; A112-F262 VanDerWaalsContact CA-O 3.25Å; A112-F262 WeakPolarHBondContact CA-O 3.36Å; A112-F262 WeakPolarHBondContact CB-O 3.3Å; L113-F262 HydrophobicContact CB-CB 4.2Å; L113-F262 HydrophobicContact CB-CD2 4.41Å; L113-F262 HydrophobicContact CD2-CD2 3.95Å; L113-F262 HydrophobicContact CG-CD2 4.24Å; L113-F262 PolarHBondContact N-O 3.03Å; L113-F262 PolarHBondContact O-N 3.26Å; L142-F262 HydrophobicContact CD1-CD2 3.77Å; L142-F262 HydrophobicContact CD1-CE2 3.89Å; L142-F262 HydrophobicContact CD2-CD2 3.94Å; L142-F262 HydrophobicContact CD2-CE2 3.74Å; L142-F262 HydrophobicContact CD2-CG 4.44Å; L142-F262 HydrophobicContact CD2-CZ 4.07Å; L142-F262 HydrophobicContact CG-CD2 3.82Å; L142-F262 HydrophobicContact CG-CE2 3.46Å; L142-F262 VanDerWaalsContact CG-CE2 3.46Å; L142-F262 HydrophobicContact CG-CZ 4.15Å; L146-F262 HydrophobicContact CB-CE2 3.9Å; L146-F262 HydrophobicContact CB-CZ 4.41Å; L146-F262 HydrophobicContact CD2-CE2 4.01Å; L146-F262 HydrophobicContact CD2-CZ 3.73Å; L146-F262 HydrophobicContact CG-CE2 4.39Å; Y160-F262 HydrophobicContact CE1-CB 3.8Å; Y160-F262 HydrophobicContact CE1-CG 4.33Å; Y160-F262 WeakPolarHBondContact OH-CB 3.48Å; M237-F262 HydrophobicContact CB-CE1 3.93Å; M237-F262 HydrophobicContact CB-CZ 3.94Å; M237-F262 VanDerWaalsContact O-CE1 3.32Å; M237-F262 WeakPolarHBondContact O-CE1 3.48Å; A238-F262 HydrophobicContact CB-CZ 4.11Å; R241-F262 HydrophobicContact CB-CD1 3.87Å; R241-F262 HydrophobicContact CB-CE1 3.89Å; F262-P264 WeakPolarHBondContact O-CD 3.32Å
263I95.8Very high82.7Confident6 Ų638.1 Ų38.13%0.03118%0.184CC..  trans-113.595.3-179.8-51170.7000107.5V107 N243 L245 W266 D267 I288V107-I263 HydrophobicContact CB-CG2 4.11Å; V107-I263 HydrophobicContact CG1-CG2 4.01Å; V107-I263 HydrophobicContact CG2-CG2 4.04Å; N243-I263 HydrophobicContact CB-CD1 3.8Å; N243-I263 HydrophobicContact CB-CG1 4.46Å; L245-I263 HydrophobicContact CD2-CD1 3.86Å; L245-I263 HydrophobicContact CD2-CG1 3.97Å; I263-W266 HydrophobicContact CB-CB 4.21Å; I263-W266 HydrophobicContact CB-CD2 4.46Å; I263-W266 HydrophobicContact CB-CE3 4.08Å; I263-W266 HydrophobicContact CD1-CE3 4.23Å; I263-W266 HydrophobicContact CG2-CB 3.67Å; I263-W266 HydrophobicContact CG2-CG 4.14Å; I263-D267 PolarHBondContact O-N 3.39Å; I263-I288 HydrophobicContact CD1-CD1 4.13Å; I263-I288 HydrophobicContact CD1-CG2 4.42Å; I263-I288 HydrophobicContact CG1-CD1 4.18Å; I263-I288 HydrophobicContact CG2-CD1 3.86Å; I263-I288 HydrophobicContact CG2-CG2 4.5Å
264P97.1Very high84.3Confident0 Ų034.3 Ų34.30%017%0.171CC..THydrogen-bonded Turntrans-57.7145.4-174-28.138.1000112.6W69 I75 I111 Y160 F262 W266W69-P264 HydrophobicContact CH2-CB 3.77Å; W69-P264 HydrophobicContact CH2-CG 3.81Å; W69-P264 HydrophobicContact CZ3-CB 3.62Å; W69-P264 HydrophobicContact CZ3-CG 4.2Å; I75-P264 HydrophobicContact CD1-CB 4.13Å; I111-P264 HydrophobicContact CG2-CG 4.5Å; Y160-P264 HydrophobicContact CD1-CB 4.35Å; Y160-P264 HydrophobicContact CD1-CG 3.85Å; Y160-P264 HydrophobicContact CD2-CB 3.61Å; Y160-P264 HydrophobicContact CD2-CG 4.03Å; Y160-P264 HydrophobicContact CE1-CG 4.06Å; Y160-P264 HydrophobicContact CE2-CB 3.95Å; Y160-P264 HydrophobicContact CE2-CG 4.23Å; Y160-P264 HydrophobicContact CG-CB 3.83Å; Y160-P264 HydrophobicContact CG-CG 3.83Å; F262-P264 WeakPolarHBondContact O-CD 3.32Å; P264-W266 PolarHBondContact O-N 2.95Å
265H96.2Very high86.1Confident15 Ų1527.8 Ų27.87%0.06914%0.141CC..THydrogen-bonded Turntrans70.5-42.8179.8-161.274.3000114.2F66 I75 S77 D267 M268F66-H265 HydrophobicContact CE1-CB 4.37Å; F66-H265 AromaticContact CE1-ND1 3.5Å; F66-H265 HydrophobicContact CZ-CB 3.9Å; F66-H265 AromaticContact CZ-ND1 3.94Å; I75-H265 HydrophobicContact CD1-CB 4.25Å; I75-H265 HydrophobicContact CG2-CB 3.97Å; S77-H265 WeakPolarHBondContact CB-NE2 3.38Å; S77-H265 PolarHBondContact OG-NE2 2.81Å; H265-D267 VanDerWaalsContact C-N 3.31Å; H265-D267 PolarHBondContact N-OD1 2.65Å; H265-D267 PolarHBondContact O-N 3.37Å; H265-M268 WeakPolarHBondContact O-CB 3.44Å; H265-M268 PolarHBondContact O-N 3.32Å
266W94.7Very high87.9Confident26 Ų2629.4 Ų29.410%0.09816%0.155CC..G310 helixtrans-58.7-43.4171.4176.890.5000111.8V107 N243 I263 P264 M268 V269 S279 F290V107-W266 HydrophobicContact CG2-CB 4.27Å; N243-W266 HydrophobicContact CB-CZ3 4.33Å; N243-W266 VanDerWaalsContact CG-CZ3 3.43Å; N243-W266 WeakPolarHBondContact ND2-CZ3 3.2Å; N243-W266 VanDerWaalsContact OD1-CH2 3.32Å; N243-W266 WeakPolarHBondContact OD1-CH2 3.48Å; I263-W266 HydrophobicContact CB-CB 4.21Å; I263-W266 HydrophobicContact CB-CD2 4.46Å; I263-W266 HydrophobicContact CB-CE3 4.08Å; I263-W266 HydrophobicContact CD1-CE3 4.23Å; I263-W266 HydrophobicContact CG2-CB 3.67Å; I263-W266 HydrophobicContact CG2-CG 4.14Å; P264-W266 PolarHBondContact O-N 2.95Å; W266-M268 PolarHBondContact O-N 2.89Å; W266-M268 VanDerWaalsContact O-N 3.08Å; W266-V269 WeakPolarHBondContact O-CG2 3.17Å; W266-V269 PolarHBondContact O-N 3.08Å; W266-V269 VanDerWaalsContact O-N 3.16Å; W266-S279 WeakPolarHBondContact CZ2-OG 3.35Å; W266-S279 PolarHBondContact NE1-OG 2.83Å; W266-F290 VanDerWaalsContact CD1-CB 3.46Å; W266-F290 AromaticContact NE1-CD2 3.87Å
267D94.6Very high89.2Confident6 Ų628 Ų283%0.03215%0.15CC..G310 helixtrans-68.1-7.6-178.474-29.5000113.7Y160 R241 I263 H265 V269Y160-D267 PolarHBondContact OH-OD2 3.39Å; R241-D267 IonicContact CZ-OD2 3.66Å; R241-D267 VanDerWaalsContact NH1-CG 3.26Å; R241-D267 PolarHBondContact NH1-O 2.83Å; R241-D267 IonicContact NH1-OD1 3.42Å; R241-D267 IonicContact NH1-OD2 2.7Å; R241-D267 PolarHBondContact NH1-OD2 2.8Å; I263-D267 PolarHBondContact O-N 3.39Å; H265-D267 VanDerWaalsContact C-N 3.31Å; H265-D267 PolarHBondContact N-OD1 2.65Å; H265-D267 PolarHBondContact O-N 3.37Å; D267-V269 VanDerWaalsContact C-N 3.31Å
268M95.2Very high90.6Very high8 Ų824 Ų244%0.03914%0.139CC..G310 helixtrans-79.4-11.1174.1-63.5-176.354.300113.9M63 F66 A82 I90 L92 I163 H265 W266 N270M63-M268 HydrophobicContact CE-CE 3.82Å; M63-M268 HydrophobicContact CE-SD 4.39Å; M63-M268 HydrophobicContact SD-CE 4.04Å; F66-M268 HydrophobicContact CD1-SD 4.23Å; F66-M268 HydrophobicContact CE1-SD 3.42Å; F66-M268 WeakPolarHBondContact CE1-SD 3.45Å; F66-M268 HydrophobicContact CZ-SD 4.06Å; A82-M268 HydrophobicContact CB-CE 4.21Å; I90-M268 HydrophobicContact CB-CE 4.12Å; I90-M268 HydrophobicContact CG2-CE 3.25Å; L92-M268 HydrophobicContact CD1-CB 4.18Å; L92-M268 HydrophobicContact CD2-CB 4.43Å; L92-M268 HydrophobicContact CD2-CE 4.06Å; L92-M268 HydrophobicContact CG-CB 4.14Å; I163-M268 HydrophobicContact CD1-SD 4.42Å; H265-M268 WeakPolarHBondContact O-CB 3.44Å; H265-M268 PolarHBondContact O-N 3.32Å; W266-M268 PolarHBondContact O-N 2.89Å; W266-M268 VanDerWaalsContact O-N 3.08Å; M268-N270 PolarHBondContact O-N 2.95Å
269V95.9Very high91.9Very high2 Ų226.1 Ų26.11%0.01216%0.155CC..SBendtrans-70.7122.3175.3-176.80000108.8L92 I105 W266 D267 F290 V302 T304 Y306L92-V269 HydrophobicContact CD1-CG2 3.91Å; I105-V269 HydrophobicContact CD1-CG2 3.84Å; W266-V269 WeakPolarHBondContact O-CG2 3.17Å; W266-V269 PolarHBondContact O-N 3.08Å; W266-V269 VanDerWaalsContact O-N 3.16Å; D267-V269 VanDerWaalsContact C-N 3.31Å; V269-F290 HydrophobicContact CB-CE1 4.49Å; V269-F290 HydrophobicContact CB-CZ 4.43Å; V269-F290 HydrophobicContact CG1-CE1 4.06Å; V269-F290 HydrophobicContact CG1-CE2 4.42Å; V269-F290 HydrophobicContact CG1-CZ 3.71Å; V269-F290 HydrophobicContact CG2-CD1 4.06Å; V269-F290 HydrophobicContact CG2-CE1 3.7Å; V269-F290 HydrophobicContact CG2-CZ 4.11Å; V269-V302 HydrophobicContact CG1-CG1 4.47Å; V269-T304 HydrophobicContact CB-CG2 4.33Å; V269-T304 HydrophobicContact CG1-CG2 3.79Å; V269-Y306 WeakPolarHBondContact O-CE1 3.48Å; V269-Y306 PolarHBondContact O-OH 2.89Å
270N95.5Very high92.6Very high13 Ų1327.5 Ų27.57%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-78.3162.9-177.4-72.6-48.8000112.9Y88 I90 G91 M268 Q301 F303 T304Y88-N270 HydrophobicContact CD1-CB 3.65Å; Y88-N270 HydrophobicContact CE1-CB 4.11Å; I90-N270 PolarHBondContact O-ND2 2.93Å; G91-N270 WeakPolarHBondContact CA-ND2 3.45Å; M268-N270 PolarHBondContact O-N 2.95Å; N270-Q301 PolarHBondContact ND2-OE1 3.29Å; N270-F303 HydrophobicContact CB-CD1 3.82Å; N270-F303 HydrophobicContact CB-CE1 3.95Å; N270-F303 WeakPolarHBondContact O-CA 3.02Å; N270-T304 PolarHBondContact O-N 3.06Å
271H94.5Very high92.7Very high7 Ų728.4 Ų28.43%0.03216%0.162CC..EExtended strand (participates in β ladder)trans-79136.5179-177.154.4000113.2S273 T304 Y306 F314 F320H271-S273 PolarHBondContact NE2-N 3.25Å; H271-S273 PolarHBondContact NE2-OG 2.6Å; H271-T304 CarbonylContact C-O 3.6Å; H271-T304 VanDerWaalsContact CA-O 3.22Å; H271-T304 WeakPolarHBondContact CA-O 3.27Å; H271-T304 PolarHBondContact ND1-O 3.35Å; H271-Y306 HydrophobicContact CB-CD1 4.11Å; H271-Y306 HydrophobicContact CB-CD2 3.77Å; H271-Y306 HydrophobicContact CB-CE1 4.14Å; H271-Y306 HydrophobicContact CB-CE2 3.81Å; H271-Y306 HydrophobicContact CB-CG 3.94Å; H271-Y306 AromaticContact ND1-CG 3.87Å; H271-Y306 PolarHBondContact ND1-N 2.85Å; H271-F314 AromaticContact CD2-CE1 3.68Å; H271-F314 AromaticContact CD2-CZ 3.62Å; H271-F314 AromaticContact CE1-CZ 3.59Å; H271-F314 AromaticContact CG-CE1 3.95Å; H271-F314 AromaticContact NE2-CE1 3.78Å; H271-F314 AromaticContact NE2-CE2 3.79Å; H271-F314 AromaticContact NE2-CZ 3.22Å; H271-F314 WeakPolarHBondContact NE2-CZ 3.35Å; H271-F320 HydrophobicContact CB-CE1 4.47Å; H271-F320 HydrophobicContact CB-CE2 4.08Å; H271-F320 HydrophobicContact CB-CZ 3.54Å; H271-F320 AromaticContact CD2-CE2 3.94Å; H271-F320 AromaticContact CD2-CZ 3.88Å; H271-F320 AromaticContact CG-CZ 3.95Å
272D91.9Very high92.6Very high37 Ų3729.3 Ų29.320%0.19817%0.167CC..  trans-141.4125.4157-172.3-34.8000109.3S274 V275 F303 T304D272-S274 PolarHBondContact O-N 2.96Å; D272-S274 VanDerWaalsContact OD1-CB 3.27Å; D272-S274 WeakPolarHBondContact OD1-CB 3.2Å; D272-S274 PolarHBondContact OD1-N 3.08Å; D272-S274 PolarHBondContact OD1-OG 3.38Å; D272-S274 PolarHBondContact OD2-OG 3.31Å; D272-V275 HydrophobicContact CB-CG2 4.25Å; D272-V275 PolarHBondContact O-N 2.92Å; D272-F303 HydrophobicContact CB-CB 3.57Å; D272-F303 HydrophobicContact CB-CD1 3.99Å; D272-F303 HydrophobicContact CB-CD2 4.39Å; D272-F303 HydrophobicContact CB-CG 3.76Å; D272-T304 PolarHBondContact N-O 2.93Å
273S88.9Confident92.2Very high13 Ų1333.7 Ų33.79%0.09120%0.197CC..THydrogen-bonded Turntrans-69.6-11.7-177.6-380000113.9H271H271-S273 PolarHBondContact NE2-N 3.25Å; H271-S273 PolarHBondContact NE2-OG 2.6Å
274S86.2Confident91.9Very high78 Ų7841.7 Ų41.755%0.54523%0.234SC..THydrogen-bonded Turntrans-87.4-9.8177.870.80000114.1D272D272-S274 PolarHBondContact O-N 2.96Å; D272-S274 VanDerWaalsContact OD1-CB 3.27Å; D272-S274 WeakPolarHBondContact OD1-CB 3.2Å; D272-S274 PolarHBondContact OD1-N 3.08Å; D272-S274 PolarHBondContact OD1-OG 3.38Å; D272-S274 PolarHBondContact OD2-OG 3.31Å
275V90.7Very high91.7Very high4 Ų446.6 Ų46.62%0.02426%0.26CS..SBendtrans-108.7137.5-178.5-176.40000109.3D272 K294 W296 F303 S305D272-V275 HydrophobicContact CB-CG2 4.25Å; D272-V275 PolarHBondContact O-N 2.92Å; V275-K294 HydrophobicContact CG1-CG 4.3Å; V275-K294 HydrophobicContact CG2-CD 4.05Å; V275-K294 HydrophobicContact CG2-CG 4.38Å; V275-W296 HydrophobicContact CG1-CZ2 4.14Å; V275-W296 HydrophobicContact CG2-CH2 4.02Å; V275-W296 HydrophobicContact CG2-CZ2 4.36Å; V275-F303 HydrophobicContact CG2-CB 4.44Å; V275-S305 WeakPolarHBondContact O-CB 3.3Å; V275-S305 PolarHBondContact O-N 3.13Å
276P91.8Very high91.4Very high67 Ų6748.8 Ų48.844%0.43527%0.273SS..  trans-66.5155.717627.2-33.8000112.1C278 G293P276-C278 PolarHBondContact O-N 2.88Å; P276-G293 WeakPolarHBondContact CD-O 3.35Å; P276-G293 WeakPolarHBondContact CG-O 3.18Å
277M88.5Confident91.4Very high119 Ų11948.5 Ų48.559%0.58627%0.274SS*.  trans-77.9119.3168.2-173.9177.167.600108.7S305M277-S305 WeakPolarHBondContact CB-O 3.26Å; M277-S305 WeakPolarHBondContact CG-O 3.21Å
278C88.9Confident91.4Very high33 Ų3348.7 Ų48.722%0.22328%0.275CS..  trans-128.375.3-176.3-66.10000110.3P276 F290 L291 G293P276-C278 PolarHBondContact O-N 2.88Å; C278-F290 WeakPolarHBondContact O-CD2 3.47Å; C278-L291 HydrophobicContact CB-CB 4.16Å; C278-L291 WeakPolarHBondContact CB-O 3.25Å; C278-L291 PolarHBondContact O-N 3.25Å; C278-G293 WeakPolarHBondContact SG-CA 3.49Å
279S90Very high91.4Very high55 Ų5551.3 Ų51.339%0.38528%0.284SS..EExtended strand (participates in β ladder)trans-114.6141.4170.8-60.20000109.7W266 R289W266-S279 WeakPolarHBondContact CZ2-OG 3.35Å; W266-S279 PolarHBondContact NE1-OG 2.83Å; S279-R289 CarbonylContact C-O 3.42Å; S279-R289 WeakPolarHBondContact CA-O 3.3Å
280D90.5Very high91.4Very high70 Ų7051.3 Ų51.337%0.37428%0.284SS..EExtended strand (participates in β ladder)trans-135.9165-178.7177.940.4000109.7R289 L291D280-R289 HydrophobicContact CB-CB 4.27Å; D280-R289 PolarHBondContact N-O 3.5Å; D280-R289 PolarHBondContact O-N 2.81Å; D280-R289 IonicContact OD2-CZ 3.67Å; D280-R289 IonicContact OD2-NE 3.65Å; D280-R289 PolarHBondContact OD2-NE 3.18Å; D280-R289 IonicContact OD2-NH2 2.78Å; D280-R289 PolarHBondContact OD2-NH2 3.07Å; D280-L291 HydrophobicContact CB-CD1 3.55Å
281Y90.7Very high91.5Very high38 Ų3852.4 Ų52.415%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-130.6118.5174.2178.2-110000111.6R109 P246 S283 N286 V287 I288R109-Y281 HydrophobicContact CB-CE2 4.49Å; R109-Y281 VanDerWaalsContact NH1-CZ 3.34Å; R109-Y281 PolarHBondContact NH1-OH 3.43Å; P246-Y281 HydrophobicContact CB-CD1 4.09Å; P246-Y281 HydrophobicContact CB-CG 4.07Å; P246-Y281 HydrophobicContact CG-CD1 3.9Å; P246-Y281 HydrophobicContact CG-CD2 3.78Å; P246-Y281 HydrophobicContact CG-CG 3.38Å; Y281-S283 PolarHBondContact O-N 3.44Å; Y281-N286 PolarHBondContact OH-OD1 3.01Å; Y281-V287 VanDerWaalsContact CD2-O 3.27Å; Y281-V287 WeakPolarHBondContact CD2-O 3.01Å; Y281-I288 HydrophobicContact CD2-CG1 4.19Å
282D91.4Very high91.6Very high19 Ų1952.1 Ų52.110%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-83100171.4-165.9-34.6000109.1E284 N285 N286 V287 R289D282-E284 VanDerWaalsContact C-N 3.31Å; D282-E284 WeakPolarHBondContact OD1-CB 3.27Å; D282-E284 PolarHBondContact OD1-N 2.97Å; D282-E284 VanDerWaalsContact OD1-N 3.08Å; D282-N285 HydrophobicContact CB-CB 4.38Å; D282-N285 PolarHBondContact OD1-N 3.27Å; D282-N285 PolarHBondContact OD1-ND2 2.87Å; D282-N285 PolarHBondContact OD2-ND2 3.35Å; D282-N286 VanDerWaalsContact O-CA 3.27Å; D282-N286 WeakPolarHBondContact O-CA 3.46Å; D282-N286 PolarHBondContact O-N 2.94Å; D282-V287 HydrophobicContact CB-CG2 3.53Å; D282-V287 PolarHBondContact N-O 3.35Å; D282-V287 PolarHBondContact O-N 3.23Å; D282-R289 VanDerWaalsContact CB-CZ 3.41Å; D282-R289 IonicContact OD2-CZ 2.66Å; D282-R289 IonicContact OD2-NH1 3.18Å; D282-R289 PolarHBondContact OD2-NH1 2.76Å; D282-R289 IonicContact OD2-NH2 3.72Å
283S87.5Confident91.7Very high92 Ų9250.7 Ų50.764%0.64328%0.283SS*.THydrogen-bonded Turntrans-69.8-27.9178.666.70000113.5Y281Y281-S283 PolarHBondContact O-N 3.44Å
284E89.7Confident92Very high174 Ų17454 Ų5481%0.81330%0.295SS*.THydrogen-bonded Turntrans-71.1-45.1-179.5-175.9177.2-174.100110.4D282D282-E284 VanDerWaalsContact C-N 3.31Å; D282-E284 WeakPolarHBondContact OD1-CB 3.27Å; D282-E284 PolarHBondContact OD1-N 2.97Å; D282-E284 VanDerWaalsContact OD1-N 3.08Å
285N91.9Very high92.5Very high102 Ų10256.9 Ų56.955%0.54530%0.3SS..THydrogen-bonded Turntrans-91.7-3.8179-64.7-70000113.6D282 V287D282-N285 HydrophobicContact CB-CB 4.38Å; D282-N285 PolarHBondContact OD1-N 3.27Å; D282-N285 PolarHBondContact OD1-ND2 2.87Å; D282-N285 PolarHBondContact OD2-ND2 3.35Å; N285-V287 VanDerWaalsContact C-N 3.32Å; N285-V287 HydrophobicContact CB-CG1 4.3Å; N285-V287 HydrophobicContact CB-CG2 4.08Å; N285-V287 WeakPolarHBondContact O-CG1 3.27Å; N285-V287 PolarHBondContact O-N 3.35Å
286N90.9Very high92.9Very high62 Ų6257.1 Ų57.133%0.33230%0.301SS..THydrogen-bonded Turntrans54.345.7-176.9-169.830.7000112.5R109 Y281 D282R109-N286 WeakPolarHBondContact CB-O 3.43Å; R109-N286 VanDerWaalsContact CB-OD1 3.25Å; R109-N286 WeakPolarHBondContact CB-OD1 3.49Å; R109-N286 WeakPolarHBondContact CD-OD1 3.27Å; R109-N286 PolarHBondContact N-O 3.32Å; Y281-N286 PolarHBondContact OH-OD1 3.01Å; D282-N286 VanDerWaalsContact O-CA 3.27Å; D282-N286 WeakPolarHBondContact O-CA 3.46Å; D282-N286 PolarHBondContact O-N 2.94Å
287V94.4Very high93.2Very high20 Ų2062.4 Ų62.412%0.12131%0.312CS..EExtended strand (participates in β ladder)trans-126.3144.1-178.5-56.10000112.3T106 V107 P108 Y281 D282 N285 R289T106-V287 HydrophobicContact CG2-CB 3.56Å; T106-V287 HydrophobicContact CG2-CG1 3.9Å; T106-V287 HydrophobicContact CG2-CG2 3.52Å; V107-V287 CarbonylContact O-C 3.56Å; V107-V287 WeakPolarHBondContact O-CA 3.44Å; P108-V287 HydrophobicContact CB-CG1 4.44Å; Y281-V287 VanDerWaalsContact CD2-O 3.27Å; Y281-V287 WeakPolarHBondContact CD2-O 3.01Å; D282-V287 HydrophobicContact CB-CG2 3.53Å; D282-V287 PolarHBondContact N-O 3.35Å; D282-V287 PolarHBondContact O-N 3.23Å; N285-V287 VanDerWaalsContact C-N 3.32Å; N285-V287 HydrophobicContact CB-CG1 4.3Å; N285-V287 HydrophobicContact CB-CG2 4.08Å; N285-V287 WeakPolarHBondContact O-CG1 3.27Å; N285-V287 PolarHBondContact O-N 3.35Å; V287-R289 HydrophobicContact CG2-CG 4.18Å
288I94.4Very high93.7Very high9 Ų962 Ų625%0.04631%0.308CS..EExtended strand (participates in β ladder)trans-88.9131.2171.1-55153.4000107.1T106 V107 L245 I263 Y281T106-I288 CarbonylContact C-O 3.56Å; T106-I288 WeakPolarHBondContact CA-O 3.32Å; V107-I288 HydrophobicContact CB-CB 4.45Å; V107-I288 PolarHBondContact N-O 3.48Å; V107-I288 PolarHBondContact O-N 3.49Å; L245-I288 HydrophobicContact CD2-CD1 3.51Å; L245-I288 HydrophobicContact CD2-CG1 4.36Å; I263-I288 HydrophobicContact CD1-CD1 4.13Å; I263-I288 HydrophobicContact CD1-CG2 4.42Å; I263-I288 HydrophobicContact CG1-CD1 4.18Å; I263-I288 HydrophobicContact CG2-CD1 3.86Å; I263-I288 HydrophobicContact CG2-CG2 4.5Å; Y281-I288 HydrophobicContact CD2-CG1 4.19Å
289R95.5Very high94.1Very high63 Ų6364.5 Ų64.524%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-116.1139.2-178.3-64.3-171.4-76-143.3-8.2110.4V103 I105 S279 D280 D282 V287 L291V103-R289 HydrophobicContact CG1-CB 4.45Å; V103-R289 HydrophobicContact CG1-CG 4.48Å; I105-R289 WeakPolarHBondContact O-CA 3.44Å; S279-R289 CarbonylContact C-O 3.42Å; S279-R289 WeakPolarHBondContact CA-O 3.3Å; D280-R289 HydrophobicContact CB-CB 4.27Å; D280-R289 PolarHBondContact N-O 3.5Å; D280-R289 PolarHBondContact O-N 2.81Å; D280-R289 IonicContact OD2-CZ 3.67Å; D280-R289 IonicContact OD2-NE 3.65Å; D280-R289 PolarHBondContact OD2-NE 3.18Å; D280-R289 IonicContact OD2-NH2 2.78Å; D280-R289 PolarHBondContact OD2-NH2 3.07Å; D282-R289 VanDerWaalsContact CB-CZ 3.41Å; D282-R289 IonicContact OD2-CZ 2.66Å; D282-R289 IonicContact OD2-NH1 3.18Å; D282-R289 PolarHBondContact OD2-NH1 2.76Å; D282-R289 IonicContact OD2-NH2 3.72Å; V287-R289 HydrophobicContact CG2-CG 4.18Å; R289-L291 HydrophobicContact CB-CD1 4.16Å
290F96.1Very high94.5Very high2 Ų265.4 Ų65.41%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-115.3128.8166.2171.2-112.2000109.4L104 I105 W266 V269 C278 V302 T304L104-F290 HydrophobicContact CB-CD1 3.77Å; L104-F290 HydrophobicContact CB-CE1 4.15Å; L104-F290 HydrophobicContact CD1-CD1 4.03Å; L104-F290 HydrophobicContact CD1-CE1 3.56Å; L104-F290 HydrophobicContact CD1-CZ 4.35Å; L104-F290 HydrophobicContact CG-CD1 4.49Å; L104-F290 HydrophobicContact CG-CE1 4.48Å; L104-F290 PolarHBondContact N-O 2.85Å; I105-F290 HydrophobicContact CB-CB 4.14Å; I105-F290 HydrophobicContact CD1-CD1 3.99Å; I105-F290 HydrophobicContact CG1-CD1 4.14Å; I105-F290 PolarHBondContact N-O 2.88Å; I105-F290 PolarHBondContact O-N 3.44Å; W266-F290 VanDerWaalsContact CD1-CB 3.46Å; W266-F290 AromaticContact NE1-CD2 3.87Å; V269-F290 HydrophobicContact CB-CE1 4.49Å; V269-F290 HydrophobicContact CB-CZ 4.43Å; V269-F290 HydrophobicContact CG1-CE1 4.06Å; V269-F290 HydrophobicContact CG1-CE2 4.42Å; V269-F290 HydrophobicContact CG1-CZ 3.71Å; V269-F290 HydrophobicContact CG2-CD1 4.06Å; V269-F290 HydrophobicContact CG2-CE1 3.7Å; V269-F290 HydrophobicContact CG2-CZ 4.11Å; C278-F290 WeakPolarHBondContact O-CD2 3.47Å; F290-V302 HydrophobicContact CE1-CG1 3.82Å; F290-V302 HydrophobicContact CZ-CG1 4.09Å; F290-T304 HydrophobicContact CE2-CG2 4.32Å
291L96.4Very high94.8Very high37 Ų3763 Ų6319%0.19430%0.304CS..EExtended strand (participates in β ladder)trans-113.5151.8-173.4-57.486.1000109.7G101 E102 V103 C278 D280 R289 G293G101-L291 WeakPolarHBondContact O-CD2 3.27Å; E102-L291 CarbonylContact O-C 3.58Å; E102-L291 VanDerWaalsContact O-CA 3.25Å; E102-L291 WeakPolarHBondContact O-CA 3.45Å; V103-L291 HydrophobicContact CG2-CD2 4.49Å; V103-L291 HydrophobicContact CG2-CG 4.34Å; C278-L291 HydrophobicContact CB-CB 4.16Å; C278-L291 WeakPolarHBondContact CB-O 3.25Å; C278-L291 PolarHBondContact O-N 3.25Å; D280-L291 HydrophobicContact CB-CD1 3.55Å; R289-L291 HydrophobicContact CB-CD1 4.16Å; L291-G293 PolarHBondContact O-N 2.94Å; L291-G293 VanDerWaalsContact O-N 3.13Å
292A96.7Very high95.1Very high1 Ų161.2 Ų61.21%0.00830%0.297CS..  trans-65.2111174.100000110.4I98 S99 G101 E102 L104 K294I98-A292 HydrophobicContact CG2-CB 3.87Å; S99-A292 WeakPolarHBondContact O-CB 3.37Å; G101-A292 PolarHBondContact N-O 3.35Å; E102-A292 PolarHBondContact O-N 3.01Å; L104-A292 HydrophobicContact CD1-CB 3.93Å; L104-A292 HydrophobicContact CG-CB 4.17Å; A292-K294 PolarHBondContact O-N 2.89Å
293G93.8Very high95.3Very high7 Ų761.5 Ų61.57%0.07230%0.298CS..SBendtrans-74.6-13.1177.700000114.7P276 C278 L291P276-G293 WeakPolarHBondContact CD-O 3.35Å; P276-G293 WeakPolarHBondContact CG-O 3.18Å; C278-G293 WeakPolarHBondContact SG-CA 3.49Å; L291-G293 PolarHBondContact O-N 2.94Å; L291-G293 VanDerWaalsContact O-N 3.13Å
294K96Very high95.7Very high81 Ų8157.2 Ų57.235%0.35227%0.268SS..SBendtrans-152.5176.7170.664.5165.8-174.6175.60109.1V275 A292 W296V275-K294 HydrophobicContact CG1-CG 4.3Å; V275-K294 HydrophobicContact CG2-CD 4.05Å; V275-K294 HydrophobicContact CG2-CG 4.38Å; A292-K294 PolarHBondContact O-N 2.89Å; K294-W296 HydrophobicContact CD-CH2 4.25Å; K294-W296 HydrophobicContact CD-CZ2 4.37Å; K294-W296 HydrophobicContact CD-CZ3 4.45Å; K294-W296 HydrophobicContact CG-CD2 4.37Å; K294-W296 HydrophobicContact CG-CH2 4.16Å; K294-W296 HydrophobicContact CG-CZ2 3.78Å; K294-W296 VanDerWaalsContact O-CD1 3.27Å; K294-W296 PolarHBondContact O-NE1 3.08Å
295E97.8Very high95.8Very high140 Ų14049.4 Ų49.465%0.65423%0.232SC*.  trans-67.8141.1169.4-60.7177.717000111I98I98-E295 CarbonylContact O-C 3.41Å; I98-E295 VanDerWaalsContact O-CA 3.29Å; I98-E295 WeakPolarHBondContact O-CA 3.39Å
296W97.8Very high95.9Very high8 Ų846.4 Ų46.43%0.0321%0.214CC..BIsolated β-bridgetrans-126.1133.6175.5-56.9101000109.6A94 D97 I98 V275 K294 E300 Q301 V302 F303A94-W296 HydrophobicContact CB-CB 4.25Å; D97-W296 CarbonylContact C-O 3.59Å; D97-W296 WeakPolarHBondContact CA-O 3.48Å; I98-W296 HydrophobicContact CB-CB 4.2Å; I98-W296 PolarHBondContact N-O 3.27Å; I98-W296 PolarHBondContact O-N 2.64Å; V275-W296 HydrophobicContact CG1-CZ2 4.14Å; V275-W296 HydrophobicContact CG2-CH2 4.02Å; V275-W296 HydrophobicContact CG2-CZ2 4.36Å; K294-W296 HydrophobicContact CD-CH2 4.25Å; K294-W296 HydrophobicContact CD-CZ2 4.37Å; K294-W296 HydrophobicContact CD-CZ3 4.45Å; K294-W296 HydrophobicContact CG-CD2 4.37Å; K294-W296 HydrophobicContact CG-CH2 4.16Å; K294-W296 HydrophobicContact CG-CZ2 3.78Å; K294-W296 VanDerWaalsContact O-CD1 3.27Å; K294-W296 PolarHBondContact O-NE1 3.08Å; W296-E300 HydrophobicContact CE3-CB 4.3Å; W296-Q301 WeakPolarHBondContact CZ3-O 3.32Å; W296-V302 HydrophobicContact CD2-CG2 4.12Å; W296-V302 HydrophobicContact CG-CG2 4.07Å; W296-V302 HydrophobicContact CZ2-CG1 4.15Å; W296-F303 HydrophobicContact CH2-CB 3.9Å; W296-F303 AromaticContact CH2-CD2 3.86Å; W296-F303 HydrophobicContact CH2-CD2 3.86Å; W296-F303 HydrophobicContact CH2-CG 4.37Å; W296-F303 VanDerWaalsContact CZ2-N 3.35Å; W296-F303 WeakPolarHBondContact CZ2-O 3.27Å; W296-F303 AromaticContact CZ3-CD2 3.99Å; W296-F303 HydrophobicContact CZ3-CD2 3.99Å
297R98.5Very high95.9Very high178 Ų17844.5 Ų44.567%0.67221%0.209SC*.  trans-84154.8170.4-61.4179176.4177.4-0.2110.7D97 N299 E300D97-R297 WeakPolarHBondContact OD1-CA 3.38Å; R297-N299 PolarHBondContact O-N 2.91Å; R297-E300 HydrophobicContact CB-CG 3.97Å; R297-E300 PolarHBondContact N-OE2 2.98Å; R297-E300 VanDerWaalsContact O-CB 3.32Å; R297-E300 WeakPolarHBondContact O-CB 3.35Å; R297-E300 PolarHBondContact O-N 3.44Å
298Q98.4Very high95.6Very high110 Ų11051 Ų5151%0.51424%0.238SC..THydrogen-bonded Turntrans-48.2134.5169.6-176.3177.937.600110.8K95 D97 E300K95-Q298 WeakPolarHBondContact O-CG 3.47Å; K95-Q298 PolarHBondContact O-NE2 2.91Å; D97-Q298 PolarHBondContact OD1-N 3.02Å; Q298-E300 VanDerWaalsContact C-N 3.26Å; Q298-E300 PolarHBondContact O-N 3.02Å
299N98.2Very high95.6Very high87 Ų8755.5 Ų55.547%0.46525%0.254SS..THydrogen-bonded Turntrans69.17.1-176.6-58.4-58.7000116.5F93 A94 R297F93-N299 VanDerWaalsContact CD1-O 3.31Å; F93-N299 WeakPolarHBondContact CD1-O 3.41Å; A94-N299 WeakPolarHBondContact O-CA 3.48Å; A94-N299 PolarHBondContact O-N 2.78Å; R297-N299 PolarHBondContact O-N 2.91Å
300E97.9Very high95.5Very high73 Ų7353 Ų5334%0.34125%0.246SC..PPolyproline II helixtrans-78.4146.3166.3-68.4-177.1164.300111.3F93 A94 W296 R297 Q298F93-E300 CarbonylContact C-O 3.6Å; F93-E300 VanDerWaalsContact CA-O 3.23Å; F93-E300 WeakPolarHBondContact CA-O 3.39Å; A94-E300 PolarHBondContact N-O 3.01Å; W296-E300 HydrophobicContact CE3-CB 4.3Å; R297-E300 HydrophobicContact CB-CG 3.97Å; R297-E300 PolarHBondContact N-OE2 2.98Å; R297-E300 VanDerWaalsContact O-CB 3.32Å; R297-E300 WeakPolarHBondContact O-CB 3.35Å; R297-E300 PolarHBondContact O-N 3.44Å; Q298-E300 VanDerWaalsContact C-N 3.26Å; Q298-E300 PolarHBondContact O-N 3.02Å
301Q97.2Very high95.5Very high20 Ų2053 Ų539%0.09325%0.246CC..BIsolated β-bridgetrans-72.6129.1169.2178.2167.9-161.700108.7L92 F93 N270 W296 F303L92-Q301 CarbonylContact O-C 3.51Å; L92-Q301 WeakPolarHBondContact O-CA 3.18Å; F93-Q301 HydrophobicContact CD1-CB 4.02Å; F93-Q301 HydrophobicContact CD2-CB 4.48Å; F93-Q301 HydrophobicContact CE1-CB 3.67Å; F93-Q301 HydrophobicContact CE2-CB 4.12Å; F93-Q301 HydrophobicContact CE2-CG 4.27Å; F93-Q301 HydrophobicContact CG-CB 4.42Å; F93-Q301 HydrophobicContact CZ-CB 3.72Å; F93-Q301 HydrophobicContact CZ-CG 4.28Å; N270-Q301 PolarHBondContact ND2-OE1 3.29Å; W296-Q301 WeakPolarHBondContact CZ3-O 3.32Å; Q301-F303 HydrophobicContact CB-CD2 4.38Å; Q301-F303 HydrophobicContact CB-CE2 3.69Å; Q301-F303 HydrophobicContact CB-CZ 3.9Å; Q301-F303 HydrophobicContact CG-CD1 4.4Å; Q301-F303 HydrophobicContact CG-CD2 4.17Å; Q301-F303 HydrophobicContact CG-CE1 3.93Å; Q301-F303 HydrophobicContact CG-CE2 3.69Å; Q301-F303 HydrophobicContact CG-CZ 3.58Å; Q301-F303 WeakPolarHBondContact O-CD2 3.38Å; Q301-F303 WeakPolarHBondContact O-CE2 3.41Å
302V97.3Very high95.5Very high0 Ų051.3 Ų51.30%024%0.237CC..PPolyproline II helixtrans-81.8130.3173.4176.30000108.9L80 L92 A94 L104 V269 F290 W296L80-V302 HydrophobicContact CD2-CG2 3.72Å; L92-V302 PolarHBondContact O-N 3.48Å; A94-V302 HydrophobicContact CB-CG2 4.28Å; L104-V302 HydrophobicContact CD1-CG1 3.68Å; V269-V302 HydrophobicContact CG1-CG1 4.47Å; F290-V302 HydrophobicContact CE1-CG1 3.82Å; F290-V302 HydrophobicContact CZ-CG1 4.09Å; W296-V302 HydrophobicContact CD2-CG2 4.12Å; W296-V302 HydrophobicContact CG-CG2 4.07Å; W296-V302 HydrophobicContact CZ2-CG1 4.15Å
303F96Very high95.4Very high25 Ų2552.6 Ų52.611%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-121.9167.2177.5-61.8-87.4000111.7Y88 N270 D272 V275 W296 Q301Y88-F303 HydrophobicContact CD1-CE1 4.33Å; Y88-F303 AromaticContact CE1-CE1 3.72Å; Y88-F303 HydrophobicContact CE1-CE1 3.72Å; Y88-F303 AromaticContact CZ-CE1 3.81Å; N270-F303 HydrophobicContact CB-CD1 3.82Å; N270-F303 HydrophobicContact CB-CE1 3.95Å; N270-F303 WeakPolarHBondContact O-CA 3.02Å; D272-F303 HydrophobicContact CB-CB 3.57Å; D272-F303 HydrophobicContact CB-CD1 3.99Å; D272-F303 HydrophobicContact CB-CD2 4.39Å; D272-F303 HydrophobicContact CB-CG 3.76Å; V275-F303 HydrophobicContact CG2-CB 4.44Å; W296-F303 HydrophobicContact CH2-CB 3.9Å; W296-F303 AromaticContact CH2-CD2 3.86Å; W296-F303 HydrophobicContact CH2-CD2 3.86Å; W296-F303 HydrophobicContact CH2-CG 4.37Å; W296-F303 VanDerWaalsContact CZ2-N 3.35Å; W296-F303 WeakPolarHBondContact CZ2-O 3.27Å; W296-F303 AromaticContact CZ3-CD2 3.99Å; W296-F303 HydrophobicContact CZ3-CD2 3.99Å; Q301-F303 HydrophobicContact CB-CD2 4.38Å; Q301-F303 HydrophobicContact CB-CE2 3.69Å; Q301-F303 HydrophobicContact CB-CZ 3.9Å; Q301-F303 HydrophobicContact CG-CD1 4.4Å; Q301-F303 HydrophobicContact CG-CD2 4.17Å; Q301-F303 HydrophobicContact CG-CE1 3.93Å; Q301-F303 HydrophobicContact CG-CE2 3.69Å; Q301-F303 HydrophobicContact CG-CZ 3.58Å; Q301-F303 WeakPolarHBondContact O-CD2 3.38Å; Q301-F303 WeakPolarHBondContact O-CE2 3.41Å
304T94.5Very high95.5Very high3 Ų352.4 Ų52.42%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-142163.1167.7-163.70000110.7V269 N270 H271 D272 F290 Y306V269-T304 HydrophobicContact CB-CG2 4.33Å; V269-T304 HydrophobicContact CG1-CG2 3.79Å; N270-T304 PolarHBondContact O-N 3.06Å; H271-T304 CarbonylContact C-O 3.6Å; H271-T304 VanDerWaalsContact CA-O 3.22Å; H271-T304 WeakPolarHBondContact CA-O 3.27Å; H271-T304 PolarHBondContact ND1-O 3.35Å; D272-T304 PolarHBondContact N-O 2.93Å; F290-T304 HydrophobicContact CE2-CG2 4.32Å; T304-Y306 HydrophobicContact CG2-CD1 3.95Å; T304-Y306 HydrophobicContact CG2-CE1 3.86Å
305S92.8Very high95.5Very high9 Ų948.5 Ų48.56%0.06322%0.224CC..  trans-82.6137.8166.3173.90000110.6V275 M277 G307V275-S305 WeakPolarHBondContact O-CB 3.3Å; V275-S305 PolarHBondContact O-N 3.13Å; M277-S305 WeakPolarHBondContact CB-O 3.26Å; M277-S305 WeakPolarHBondContact CG-O 3.21Å; S305-G307 PolarHBondContact O-N 2.79Å; S305-G307 PolarHBondContact OG-N 3.42Å
306Y93.4Very high95.4Very high40 Ų4041.9 Ų41.916%0.15719%0.193CC..  trans-87.313172.5-68.4-2.6000111.9V269 H271 T304 R309 F314 Y318 F320V269-Y306 WeakPolarHBondContact O-CE1 3.48Å; V269-Y306 PolarHBondContact O-OH 2.89Å; H271-Y306 HydrophobicContact CB-CD1 4.11Å; H271-Y306 HydrophobicContact CB-CD2 3.77Å; H271-Y306 HydrophobicContact CB-CE1 4.14Å; H271-Y306 HydrophobicContact CB-CE2 3.81Å; H271-Y306 HydrophobicContact CB-CG 3.94Å; H271-Y306 AromaticContact ND1-CG 3.87Å; H271-Y306 PolarHBondContact ND1-N 2.85Å; T304-Y306 HydrophobicContact CG2-CD1 3.95Å; T304-Y306 HydrophobicContact CG2-CE1 3.86Å; Y306-R309 PolarHBondContact O-NE 2.93Å; Y306-F314 HydrophobicContact CD2-CE1 4.32Å; Y306-Y318 AromaticContact CD2-CD1 3.56Å; Y306-Y318 HydrophobicContact CD2-CD1 3.56Å; Y306-Y318 AromaticContact CD2-CE1 3.42Å; Y306-Y318 HydrophobicContact CD2-CE1 3.42Å; Y306-Y318 VanDerWaalsContact CD2-CE1 3.42Å; Y306-Y318 HydrophobicContact CD2-CG 4.43Å; Y306-Y318 AromaticContact CE2-CD1 3.81Å; Y306-Y318 HydrophobicContact CE2-CD1 3.81Å; Y306-Y318 AromaticContact CE2-CE1 3.99Å; Y306-Y318 HydrophobicContact CE2-CE1 3.99Å; Y306-Y318 HydrophobicContact CG-CE1 4.22Å; Y306-F320 HydrophobicContact CD2-CE1 4.42Å; Y306-F320 HydrophobicContact CD2-CZ 4.42Å; Y306-F320 HydrophobicContact CE2-CE1 4.22Å; Y306-F320 HydrophobicContact CE2-CZ 4.44Å
307G90.2Very high95.3Very high22 Ų2243.6 Ų43.623%0.22720%0.202CC..  trans101.7172.5-176.400000113.2S305 R309S305-G307 PolarHBondContact O-N 2.79Å; S305-G307 PolarHBondContact OG-N 3.42Å; G307-R309 PolarHBondContact O-N 3.41Å; G307-R309 VanDerWaalsContact O-N 3.15Å
308E89.7Confident95.1Very high157 Ų15737 Ų3773%0.73418%0.177SC*.SBendtrans-75.399.8176.8-62-62.2146.100109.2K327E308-K327 IonicContact OE1-NZ 2.81Å; E308-K327 PolarHBondContact OE1-NZ 3.15Å; E308-K327 IonicContact OE2-NZ 3.98Å
309R92.9Very high94.9Very high103 Ų10332 Ų3239%0.38916%0.156SC..  trans-134.7151.9-174-63.9-177.4-175.4-83.43.8110.4Y306 G307 D313 F314 Y318Y306-R309 PolarHBondContact O-NE 2.93Å; G307-R309 PolarHBondContact O-N 3.41Å; G307-R309 VanDerWaalsContact O-N 3.15Å; R309-D313 HydrophobicContact CB-CB 3.95Å; R309-F314 HydrophobicContact CB-CD2 4.23Å; R309-F314 HydrophobicContact CB-CE1 4.35Å; R309-F314 HydrophobicContact CB-CE2 3.72Å; R309-F314 HydrophobicContact CB-CZ 3.78Å; R309-F314 HydrophobicContact CG-CZ 4.44Å; R309-Y318 PolarHBondContact NE-OH 3.19Å; R309-Y318 VanDerWaalsContact NE-OH 3.07Å; R309-Y318 PolarHBondContact NH2-OH 3.44Å
310T94.9Very high94.7Very high9 Ų930.3 Ų30.36%0.05514%0.144CC..  trans-76.5161.5175.166.30000111.1S312 D313 F314 A329 V331T310-S312 PolarHBondContact O-N 3.4Å; T310-S312 PolarHBondContact OG1-N 3.13Å; T310-S312 PolarHBondContact OG1-OG 3.48Å; T310-D313 PolarHBondContact N-OD2 3.17Å; T310-D313 WeakPolarHBondContact O-CA 3.33Å; T310-D313 WeakPolarHBondContact O-CB 3.41Å; T310-D313 PolarHBondContact O-N 3.39Å; T310-D313 PolarHBondContact OG1-N 3.48Å; T310-D313 PolarHBondContact OG1-OD2 3.5Å; T310-D313 VanDerWaalsContact OG1-OD2 3.11Å; T310-F314 VanDerWaalsContact O-CD2 3.26Å; T310-F314 WeakPolarHBondContact O-CD2 3.47Å; T310-F314 PolarHBondContact O-N 3.27Å; T310-A329 WeakPolarHBondContact CA-O 3.22Å; T310-A329 WeakPolarHBondContact CB-O 3.33Å; T310-A329 HydrophobicContact CG2-CB 4.38Å; T310-A329 WeakPolarHBondContact CG2-O 3.43Å; T310-V331 HydrophobicContact CG2-CG2 4.09Å
311N95Very high94.5Very high4 Ų427.3 Ų27.32%0.02113%0.131CC..Hα-helixtrans-61.4-28.7171.1-75.4-4.5000112.3F314 L315 Y328 F443 M446N311-F314 PolarHBondContact O-N 3.41Å; N311-L315 VanDerWaalsContact O-CB 3.27Å; N311-L315 WeakPolarHBondContact O-CB 3.38Å; N311-L315 PolarHBondContact O-N 3.29Å; N311-Y328 WeakPolarHBondContact ND2-CB 3.41Å; N311-F443 HydrophobicContact CB-CD2 3.89Å; N311-F443 HydrophobicContact CB-CE2 3.97Å; N311-M446 WeakPolarHBondContact ND2-CE 3.33Å
312S95.9Very high94.2Very high1 Ų126.7 Ų26.71%0.00713%0.128CC..Hα-helixtrans-70-32.3172.850.80000112.4S186 K190 T310 V316S186-S312 WeakPolarHBondContact OG-CB 3.25Å; S186-S312 PolarHBondContact OG-OG 3.1Å; K190-S312 WeakPolarHBondContact CE-OG 3.36Å; T310-S312 PolarHBondContact O-N 3.4Å; T310-S312 PolarHBondContact OG1-N 3.13Å; T310-S312 PolarHBondContact OG1-OG 3.48Å; S312-V316 WeakPolarHBondContact O-CB 3.38Å; S312-V316 VanDerWaalsContact O-CG2 3.25Å; S312-V316 WeakPolarHBondContact O-CG2 3.39Å; S312-V316 PolarHBondContact O-N 3.37Å; S312-V316 VanDerWaalsContact O-N 3.08Å
313D95.7Very high93.5Very high27 Ų2733.3 Ų33.314%0.14416%0.159CC..Hα-helixtrans-66.8-45.6170.3-70.8-43.3000111.6K190 R309 T310 L315 H317K190-D313 IonicContact NZ-OD1 2.66Å; K190-D313 PolarHBondContact NZ-OD1 3.42Å; K190-D313 IonicContact NZ-OD2 3.61Å; R309-D313 HydrophobicContact CB-CB 3.95Å; T310-D313 PolarHBondContact N-OD2 3.17Å; T310-D313 WeakPolarHBondContact O-CA 3.33Å; T310-D313 WeakPolarHBondContact O-CB 3.41Å; T310-D313 PolarHBondContact O-N 3.39Å; T310-D313 PolarHBondContact OG1-N 3.48Å; T310-D313 PolarHBondContact OG1-OD2 3.5Å; T310-D313 VanDerWaalsContact OG1-OD2 3.11Å; D313-L315 PolarHBondContact O-N 3.05Å; D313-H317 WeakPolarHBondContact O-CA 3.24Å; D313-H317 WeakPolarHBondContact O-CB 3.43Å; D313-H317 PolarHBondContact O-N 2.78Å; D313-H317 PolarHBondContact O-ND1 3.07Å; D313-H317 IonicContact OD1-CE1 3.97Å; D313-H317 PolarHBondContact OD1-CE1 3.47Å; D313-H317 IonicContact OD1-ND1 2.96Å; D313-H317 PolarHBondContact OD1-ND1 2.78Å
314F95.4Very high92.8Very high3 Ų334 Ų341%0.01316%0.164CC..Iπ-helixtrans-61-45.4176.8-72.7-63.7000112H271 Y306 R309 T310 N311 V316 Y318 G319 F320 P322H271-F314 AromaticContact CD2-CE1 3.68Å; H271-F314 AromaticContact CD2-CZ 3.62Å; H271-F314 AromaticContact CE1-CZ 3.59Å; H271-F314 AromaticContact CG-CE1 3.95Å; H271-F314 AromaticContact NE2-CE1 3.78Å; H271-F314 AromaticContact NE2-CE2 3.79Å; H271-F314 AromaticContact NE2-CZ 3.22Å; H271-F314 WeakPolarHBondContact NE2-CZ 3.35Å; Y306-F314 HydrophobicContact CD2-CE1 4.32Å; R309-F314 HydrophobicContact CB-CD2 4.23Å; R309-F314 HydrophobicContact CB-CE1 4.35Å; R309-F314 HydrophobicContact CB-CE2 3.72Å; R309-F314 HydrophobicContact CB-CZ 3.78Å; R309-F314 HydrophobicContact CG-CZ 4.44Å; T310-F314 VanDerWaalsContact O-CD2 3.26Å; T310-F314 WeakPolarHBondContact O-CD2 3.47Å; T310-F314 PolarHBondContact O-N 3.27Å; N311-F314 PolarHBondContact O-N 3.41Å; F314-V316 PolarHBondContact O-N 2.96Å; F314-Y318 AromaticContact CD1-CD2 3.99Å; F314-Y318 HydrophobicContact CD1-CD2 3.99Å; F314-Y318 HydrophobicContact CD1-CE2 4.46Å; F314-Y318 HydrophobicContact CD1-CG 4.29Å; F314-Y318 CarbonylContact O-C 3.54Å; F314-Y318 VanDerWaalsContact O-CA 3.31Å; F314-Y318 WeakPolarHBondContact O-CA 3.44Å; F314-Y318 VanDerWaalsContact O-CB 3.27Å; F314-Y318 WeakPolarHBondContact O-CB 3.46Å; F314-Y318 PolarHBondContact O-N 2.82Å; F314-G319 PolarHBondContact O-N 3.06Å; F314-F320 CarbonylContact C-O 3.6Å; F314-F320 HydrophobicContact CB-CE2 4.47Å; F314-F320 HydrophobicContact CB-CZ 4.41Å; F314-F320 VanDerWaalsContact CB-O 3.3Å; F314-F320 WeakPolarHBondContact CB-O 3.35Å; F314-F320 AromaticContact CD1-CE1 3.97Å; F314-F320 HydrophobicContact CD1-CE1 3.97Å; F314-F320 HydrophobicContact CD1-CE2 4.1Å; F314-F320 AromaticContact CD1-CZ 3.46Å; F314-F320 HydrophobicContact CD1-CZ 3.46Å; F314-F320 VanDerWaalsContact CD1-CZ 3.46Å; F314-F320 AromaticContact CE1-CZ 3.96Å; F314-F320 HydrophobicContact CE1-CZ 3.96Å; F314-F320 HydrophobicContact CG-CE2 4.39Å; F314-F320 HydrophobicContact CG-CZ 4.16Å; F314-F320 PolarHBondContact O-N 3.34Å; F314-P322 HydrophobicContact CB-CG 4.1Å; F314-P322 HydrophobicContact CD1-CG 4.38Å; F314-P322 HydrophobicContact CD2-CG 3.32Å; F314-P322 HydrophobicContact CE2-CG 3.75Å; F314-P322 HydrophobicContact CG-CG 3.69Å; F314-P322 HydrophobicContact CZ-CG 4.44Å
315L95.4Very high92.1Very high0 Ų036.6 Ų36.60%018%0.182CC..Iπ-helixtrans-61.8-48.9-179.9177.355.5000111.5F174 C187 N311 D313 G319 F320 V321 F439 I440 F443F174-L315 HydrophobicContact CZ-CD1 3.86Å; F174-L315 HydrophobicContact CZ-CG 4.19Å; C187-L315 HydrophobicContact CB-CD2 4.45Å; N311-L315 VanDerWaalsContact O-CB 3.27Å; N311-L315 WeakPolarHBondContact O-CB 3.38Å; N311-L315 PolarHBondContact O-N 3.29Å; D313-L315 PolarHBondContact O-N 3.05Å; L315-G319 WeakPolarHBondContact O-CA 3.29Å; L315-G319 PolarHBondContact O-N 2.93Å; L315-F320 VanDerWaalsContact CA-O 3.27Å; L315-F320 WeakPolarHBondContact CA-O 3.1Å; L315-F320 PolarHBondContact N-O 3.34Å; L315-V321 HydrophobicContact CB-CG2 4.18Å; L315-V321 HydrophobicContact CD1-CG2 4.05Å; L315-V321 HydrophobicContact CD2-CG2 4.48Å; L315-V321 HydrophobicContact CG-CG2 4.47Å; L315-F439 HydrophobicContact CD1-CD2 3.81Å; L315-F439 HydrophobicContact CD1-CE2 3.48Å; L315-F439 VanDerWaalsContact CD1-CE2 3.48Å; L315-I440 HydrophobicContact CD1-CG1 4.48Å; L315-F443 HydrophobicContact CD2-CB 4.18Å; L315-F443 HydrophobicContact CD2-CD1 3.68Å; L315-F443 HydrophobicContact CD2-CD2 4.05Å; L315-F443 HydrophobicContact CD2-CE1 4.08Å; L315-F443 HydrophobicContact CD2-CE2 4.43Å; L315-F443 HydrophobicContact CD2-CG 3.67Å; L315-F443 HydrophobicContact CD2-CZ 4.45Å
316V96.4Very high91.7Very high0 Ų039.9 Ų39.90%020%0.197CC..Iπ-helixtrans-79.9-42.8-173.4178.20000112.5P171 C187 K190 V191 M194 S312 F314P171-V316 HydrophobicContact CG-CB 4.47Å; P171-V316 HydrophobicContact CG-CG1 3.96Å; C187-V316 WeakPolarHBondContact SG-CG2 3.42Å; K190-V316 HydrophobicContact CB-CB 4.34Å; K190-V316 HydrophobicContact CB-CG1 4.13Å; K190-V316 HydrophobicContact CB-CG2 3.94Å; V191-V316 HydrophobicContact CG2-CG2 3.67Å; M194-V316 HydrophobicContact CB-CG1 4.23Å; M194-V316 HydrophobicContact CE-CG1 4.37Å; M194-V316 HydrophobicContact SD-CG1 3.75Å; S312-V316 WeakPolarHBondContact O-CB 3.38Å; S312-V316 VanDerWaalsContact O-CG2 3.25Å; S312-V316 WeakPolarHBondContact O-CG2 3.39Å; S312-V316 PolarHBondContact O-N 3.37Å; S312-V316 VanDerWaalsContact O-N 3.08Å; F314-V316 PolarHBondContact O-N 2.96Å
317H95.2Very high91.5Very high45 Ų4540.6 Ų40.621%0.20820%0.2CC..Iπ-helixtrans-94.5-19.6-171.3-55.3140.4000113.4V239 S240 D313V239-H317 HydrophobicContact CG1-CB 3.64Å; S240-H317 WeakPolarHBondContact CA-O 3.29Å; S240-H317 VanDerWaalsContact CB-O 3.28Å; S240-H317 WeakPolarHBondContact CB-O 3.19Å; D313-H317 WeakPolarHBondContact O-CA 3.24Å; D313-H317 WeakPolarHBondContact O-CB 3.43Å; D313-H317 PolarHBondContact O-N 2.78Å; D313-H317 PolarHBondContact O-ND1 3.07Å; D313-H317 IonicContact OD1-CE1 3.97Å; D313-H317 PolarHBondContact OD1-CE1 3.47Å; D313-H317 IonicContact OD1-ND1 2.96Å; D313-H317 PolarHBondContact OD1-ND1 2.78Å
318Y94.8Very high91.7Very high38 Ų3840.1 Ų40.115%0.14919%0.192CC..Iπ-helixtrans-124.3-12.2-177-61.8-99.4000114.2S240 Y306 R309 F314 F320S240-Y318 WeakPolarHBondContact O-CD1 3.39Å; S240-Y318 WeakPolarHBondContact O-CE1 3.43Å; Y306-Y318 AromaticContact CD2-CD1 3.56Å; Y306-Y318 HydrophobicContact CD2-CD1 3.56Å; Y306-Y318 AromaticContact CD2-CE1 3.42Å; Y306-Y318 HydrophobicContact CD2-CE1 3.42Å; Y306-Y318 VanDerWaalsContact CD2-CE1 3.42Å; Y306-Y318 HydrophobicContact CD2-CG 4.43Å; Y306-Y318 AromaticContact CE2-CD1 3.81Å; Y306-Y318 HydrophobicContact CE2-CD1 3.81Å; Y306-Y318 AromaticContact CE2-CE1 3.99Å; Y306-Y318 HydrophobicContact CE2-CE1 3.99Å; Y306-Y318 HydrophobicContact CG-CE1 4.22Å; R309-Y318 PolarHBondContact NE-OH 3.19Å; R309-Y318 VanDerWaalsContact NE-OH 3.07Å; R309-Y318 PolarHBondContact NH2-OH 3.44Å; F314-Y318 AromaticContact CD1-CD2 3.99Å; F314-Y318 HydrophobicContact CD1-CD2 3.99Å; F314-Y318 HydrophobicContact CD1-CE2 4.46Å; F314-Y318 HydrophobicContact CD1-CG 4.29Å; F314-Y318 CarbonylContact O-C 3.54Å; F314-Y318 VanDerWaalsContact O-CA 3.31Å; F314-Y318 WeakPolarHBondContact O-CA 3.44Å; F314-Y318 VanDerWaalsContact O-CB 3.27Å; F314-Y318 WeakPolarHBondContact O-CB 3.46Å; F314-Y318 PolarHBondContact O-N 2.82Å; Y318-F320 HydrophobicContact CD1-CE1 4.37Å; Y318-F320 HydrophobicContact CG-CE1 4.08Å
319G94Very high91.9Very high7 Ų733.4 Ų33.47%0.07216%0.163CC..SBendtrans77.421.5176.900000114.4E169 F314 L315E169-G319 WeakPolarHBondContact CB-O 3.32Å; F314-G319 PolarHBondContact O-N 3.06Å; L315-G319 WeakPolarHBondContact O-CA 3.29Å; L315-G319 PolarHBondContact O-N 2.93Å
320F93.7Very high92Very high50 Ų5028.6 Ų28.622%0.21915%0.145CC..  trans-147.8164.7176.775.9-86.6000111.8H271 Y306 F314 L315 Y318 P322H271-F320 HydrophobicContact CB-CE1 4.47Å; H271-F320 HydrophobicContact CB-CE2 4.08Å; H271-F320 HydrophobicContact CB-CZ 3.54Å; H271-F320 AromaticContact CD2-CE2 3.94Å; H271-F320 AromaticContact CD2-CZ 3.88Å; H271-F320 AromaticContact CG-CZ 3.95Å; Y306-F320 HydrophobicContact CD2-CE1 4.42Å; Y306-F320 HydrophobicContact CD2-CZ 4.42Å; Y306-F320 HydrophobicContact CE2-CE1 4.22Å; Y306-F320 HydrophobicContact CE2-CZ 4.44Å; F314-F320 CarbonylContact C-O 3.6Å; F314-F320 HydrophobicContact CB-CE2 4.47Å; F314-F320 HydrophobicContact CB-CZ 4.41Å; F314-F320 VanDerWaalsContact CB-O 3.3Å; F314-F320 WeakPolarHBondContact CB-O 3.35Å; F314-F320 AromaticContact CD1-CE1 3.97Å; F314-F320 HydrophobicContact CD1-CE1 3.97Å; F314-F320 HydrophobicContact CD1-CE2 4.1Å; F314-F320 AromaticContact CD1-CZ 3.46Å; F314-F320 HydrophobicContact CD1-CZ 3.46Å; F314-F320 VanDerWaalsContact CD1-CZ 3.46Å; F314-F320 AromaticContact CE1-CZ 3.96Å; F314-F320 HydrophobicContact CE1-CZ 3.96Å; F314-F320 HydrophobicContact CG-CE2 4.39Å; F314-F320 HydrophobicContact CG-CZ 4.16Å; F314-F320 PolarHBondContact O-N 3.34Å; L315-F320 VanDerWaalsContact CA-O 3.27Å; L315-F320 WeakPolarHBondContact CA-O 3.1Å; L315-F320 PolarHBondContact N-O 3.34Å; Y318-F320 HydrophobicContact CD1-CE1 4.37Å; Y318-F320 HydrophobicContact CG-CE1 4.08Å; F320-P322 HydrophobicContact CD2-CG 4.46Å; F320-P322 HydrophobicContact CE2-CB 4.39Å; F320-P322 HydrophobicContact CE2-CG 3.85Å
321V93.6Very high92.1Very high10 Ų1030.9 Ų30.96%0.06116%0.159CC..  trans-116.7120.6173.4-179.70000106.6L315 H323 F439 F443 M446L315-V321 HydrophobicContact CB-CG2 4.18Å; L315-V321 HydrophobicContact CD1-CG2 4.05Å; L315-V321 HydrophobicContact CD2-CG2 4.48Å; L315-V321 HydrophobicContact CG-CG2 4.47Å; V321-H323 PolarHBondContact O-N 2.91Å; V321-F439 HydrophobicContact CG2-CB 4.49Å; V321-F439 HydrophobicContact CG2-CD2 4.11Å; V321-F443 HydrophobicContact CG1-CB 4.23Å; V321-F443 HydrophobicContact CG2-CB 3.75Å; V321-F443 HydrophobicContact CG2-CD2 4.49Å; V321-F443 HydrophobicContact CG2-CG 4.47Å; V321-M446 HydrophobicContact CG1-SD 4.05Å
322P92Very high92.1Very high7 Ų730.9 Ų30.95%0.04516%0.159CC..  trans-55.1137.3178.8-22.630.1000111F314 F320 N324F314-P322 HydrophobicContact CB-CG 4.1Å; F314-P322 HydrophobicContact CD1-CG 4.38Å; F314-P322 HydrophobicContact CD2-CG 3.32Å; F314-P322 HydrophobicContact CE2-CG 3.75Å; F314-P322 HydrophobicContact CG-CG 3.69Å; F314-P322 HydrophobicContact CZ-CG 4.44Å; F320-P322 HydrophobicContact CD2-CG 4.46Å; F320-P322 HydrophobicContact CE2-CB 4.39Å; F320-P322 HydrophobicContact CE2-CG 3.85Å; P322-N324 PolarHBondContact O-N 3.16Å; P322-N324 VanDerWaalsContact O-N 3.16Å
323H81.8Confident92.1Very high140 Ų14036.4 Ų36.465%0.64819%0.185SC*.SBendtrans-69-9.7178.9-67.6-69.9000113.7V321 S325V321-H323 PolarHBondContact O-N 2.91Å; H323-S325 PolarHBondContact O-N 3.11Å; H323-S325 VanDerWaalsContact O-N 3.11Å
324N80.8Confident92.1Very high38 Ų3835.2 Ų35.220%0.20318%0.178CC..  trans-74.9102.8-175.5-170-16.9000111.4P322 E326 K327 M446P322-N324 PolarHBondContact O-N 3.16Å; P322-N324 VanDerWaalsContact O-N 3.16Å; N324-E326 PolarHBondContact O-N 3.37Å; N324-E326 WeakPolarHBondContact OD1-CA 3.28Å; N324-E326 PolarHBondContact OD1-N 2.84Å; N324-K327 PolarHBondContact OD1-N 2.91Å; N324-M446 WeakPolarHBondContact O-CE 3.31Å
325S79.8Confident92Very high58 Ų5836.3 Ų36.341%0.40619%0.191SC..SBendtrans-78.9-1.9175.466.50000114.8H323 Y328H323-S325 PolarHBondContact O-N 3.11Å; H323-S325 VanDerWaalsContact O-N 3.11Å; S325-Y328 VanDerWaalsContact O-CE1 3.3Å; S325-Y328 WeakPolarHBondContact O-CE1 3.35Å
326E85Confident91.9Very high79 Ų7937.2 Ų37.237%0.36919%0.194SC..SBendtrans-111.2-15.1-176.7-62.5-55.5142.800113.1N324 K365 D366 K367N324-E326 PolarHBondContact O-N 3.37Å; N324-E326 WeakPolarHBondContact OD1-CA 3.28Å; N324-E326 PolarHBondContact OD1-N 2.84Å; E326-K365 CarbonylContact O-C 3.36Å; E326-D366 CarbonylContact O-C 3.55Å; E326-D366 WeakPolarHBondContact O-CA 3.41Å; E326-K367 PolarHBondContact O-N 2.89Å
327K89.3Confident91.7Very high55 Ų5541.5 Ų41.524%0.23922%0.221CC..EExtended strand (participates in β ladder)trans-134102.2175.2-168.2-179.7173.5-168.10111.7E308 N324 K365E308-K327 IonicContact OE1-NZ 2.81Å; E308-K327 PolarHBondContact OE1-NZ 3.15Å; E308-K327 IonicContact OE2-NZ 3.98Å; N324-K327 PolarHBondContact OD1-N 2.91Å; K327-K365 CarbonylContact C-O 3.59Å; K327-K365 WeakPolarHBondContact CA-O 3.21Å
328Y93.6Very high91.6Very high12 Ų1243.4 Ų43.45%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-162.3163.617562.3-76.9000111.2N311 S325 K365 M446 L450N311-Y328 WeakPolarHBondContact ND2-CB 3.41Å; S325-Y328 VanDerWaalsContact O-CE1 3.3Å; S325-Y328 WeakPolarHBondContact O-CE1 3.35Å; Y328-K365 HydrophobicContact CD1-CB 3.91Å; Y328-K365 HydrophobicContact CD1-CG 4.15Å; Y328-K365 HydrophobicContact CE1-CB 3.67Å; Y328-K365 HydrophobicContact CE1-CG 3.65Å; Y328-K365 HydrophobicContact CG-CB 4.43Å; Y328-K365 PolarHBondContact N-O 3.23Å; Y328-K365 PolarHBondContact O-N 2.93Å; Y328-M446 HydrophobicContact CD1-CE 3.69Å; Y328-M446 HydrophobicContact CD2-CE 4.24Å; Y328-M446 HydrophobicContact CE1-CE 3.94Å; Y328-M446 HydrophobicContact CE2-CB 4.03Å; Y328-M446 HydrophobicContact CE2-CE 4.42Å; Y328-M446 WeakPolarHBondContact CE2-O 3.41Å; Y328-M446 HydrophobicContact CG-CE 3.88Å; Y328-M446 PolarHBondContact OH-O 2.65Å; Y328-L450 HydrophobicContact CD2-CD2 4.04Å; Y328-L450 HydrophobicContact CE2-CB 3.76Å; Y328-L450 HydrophobicContact CE2-CD2 3.78Å; Y328-L450 HydrophobicContact CE2-CG 4.3Å
329A94.6Very high91.4Very high16 Ų1648.7 Ų48.713%0.13227%0.27CS..EExtended strand (participates in β ladder)trans-136.7156.4-179.600000112.1T310 L363 I364T310-A329 WeakPolarHBondContact CA-O 3.22Å; T310-A329 WeakPolarHBondContact CB-O 3.33Å; T310-A329 HydrophobicContact CG2-CB 4.38Å; T310-A329 WeakPolarHBondContact CG2-O 3.43Å; A329-L363 CarbonylContact C-O 3.3Å; A329-L363 WeakPolarHBondContact CA-O 3.49Å; A329-L363 WeakPolarHBondContact CB-O 3.27Å; A329-I364 HydrophobicContact CB-CG1 4.19Å
330V95.9Very high91.3Very high2 Ų250 Ų501%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-133.8137.9173.8172.50000108.9L363 E447 L450 Y451V330-L363 PolarHBondContact N-O 3.01Å; V330-L363 PolarHBondContact O-N 3.3Å; V330-E447 HydrophobicContact CG1-CG 4.32Å; V330-E447 HydrophobicContact CG2-CB 4.45Å; V330-E447 HydrophobicContact CG2-CG 4.04Å; V330-L450 HydrophobicContact CB-CD2 3.9Å; V330-L450 HydrophobicContact CG2-CD2 3.75Å; V330-Y451 HydrophobicContact CG1-CE1 3.87Å; V330-Y451 WeakPolarHBondContact CG1-OH 3.36Å
331V95.9Very high91.3Very high57 Ų5753 Ų5335%0.34530%0.303SS..EExtended strand (participates in β ladder)trans-97.1123.2173.7176.30000109.1T310 N360 F361T310-V331 HydrophobicContact CG2-CG2 4.09Å; V331-N360 HydrophobicContact CG1-CB 3.71Å; V331-F361 CarbonylContact C-O 3.59Å; V331-F361 WeakPolarHBondContact CA-O 3.46Å
332I96Very high91.4Very high4 Ų454.2 Ų54.22%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-102.8153.1172.462.8170.9000110.6L334 N360 F361 L363 L417 M420 Y451I332-L334 HydrophobicContact CD1-CD1 4.44Å; I332-L334 HydrophobicContact CD1-CD2 4.37Å; I332-L334 HydrophobicContact CD1-CG 4.34Å; I332-N360 CarbonylContact O-C 3.43Å; I332-N360 VanDerWaalsContact O-CA 3.28Å; I332-N360 WeakPolarHBondContact O-CA 3.18Å; I332-F361 HydrophobicContact CG1-CB 4.01Å; I332-F361 PolarHBondContact N-O 3.48Å; I332-F361 PolarHBondContact O-N 3.4Å; I332-L363 HydrophobicContact CD1-CD1 4.48Å; I332-L363 HydrophobicContact CD1-CD2 4.08Å; I332-L363 HydrophobicContact CD1-CG 4.37Å; I332-L363 HydrophobicContact CG1-CG 4.45Å; I332-L363 HydrophobicContact CG2-CD1 3.72Å; I332-L363 HydrophobicContact CG2-CG 4.14Å; I332-L417 HydrophobicContact CD1-CD2 4.02Å; I332-M420 HydrophobicContact CB-CE 4.27Å; I332-M420 HydrophobicContact CB-SD 4.37Å; I332-M420 HydrophobicContact CG2-CE 4.48Å; I332-M420 HydrophobicContact CG2-SD 3.97Å; I332-Y451 HydrophobicContact CG2-CD1 4.33Å; I332-Y451 HydrophobicContact CG2-CE1 3.46Å; I332-Y451 VanDerWaalsContact CG2-CE1 3.46Å
333Q94.7Very high91.6Very high117 Ų11757.5 Ų57.555%0.54732%0.321SS..EExtended strand (participates in β ladder)trans-112.1128.5172.5-176.9170.181.700110.2S358 E359 N360Q333-S358 WeakPolarHBondContact CG-OG 3.43Å; Q333-S358 PolarHBondContact NE2-OG 3.41Å; Q333-E359 WeakPolarHBondContact CA-O 3.19Å; Q333-N360 PolarHBondContact NE2-OD1 2.94Å; Q333-N360 VanDerWaalsContact NE2-OD1 3.14Å
334L95.5Very high92.3Very high1 Ų158.3 Ų58.31%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-118.3143171.7-54.7176.4000109.3I332 S358 E359 F361 F378 L413 R416I332-L334 HydrophobicContact CD1-CD1 4.44Å; I332-L334 HydrophobicContact CD1-CD2 4.37Å; I332-L334 HydrophobicContact CD1-CG 4.34Å; L334-S358 WeakPolarHBondContact O-CA 3.45Å; L334-E359 PolarHBondContact N-O 3.02Å; L334-E359 PolarHBondContact O-N 2.73Å; L334-F361 HydrophobicContact CB-CD2 4.19Å; L334-F361 HydrophobicContact CB-CE2 3.96Å; L334-F361 HydrophobicContact CD1-CD2 3.8Å; L334-F361 HydrophobicContact CD1-CE2 3.98Å; L334-F361 HydrophobicContact CG-CD2 3.94Å; L334-F361 HydrophobicContact CG-CE2 4.18Å; L334-F378 HydrophobicContact CB-CD1 3.99Å; L334-F378 HydrophobicContact CB-CE1 3.74Å; L334-F378 HydrophobicContact CB-CZ 4.45Å; L334-F378 HydrophobicContact CD1-CD1 4.3Å; L334-L413 HydrophobicContact CD1-CD1 3.94Å; L334-R416 HydrophobicContact CD2-CG 3.83Å
335G94.2Very high93Very high27 Ų2758 Ų5828%0.27832%0.323SS..EExtended strand (participates in β ladder)trans-167.2165.4-17800000112.8T357G335-T357 WeakPolarHBondContact CA-O 3.48Å
336Y92.9Very high93.8Very high19 Ų1955.8 Ų55.88%0.07531%0.305CS..  trans-130.1160.8175.557.7-80.1000110.1Y343 R346 T347 M350 T357 F378 F382Y336-Y343 AromaticContact CD2-CD2 3.79Å; Y336-Y343 HydrophobicContact CD2-CD2 3.79Å; Y336-Y343 AromaticContact CD2-CE2 3.96Å; Y336-Y343 HydrophobicContact CD2-CE2 3.96Å; Y336-Y343 AromaticContact CE2-CD2 3.84Å; Y336-Y343 HydrophobicContact CE2-CD2 3.84Å; Y336-Y343 AromaticContact CE2-CE2 3.83Å; Y336-Y343 HydrophobicContact CE2-CE2 3.83Å; Y336-R346 HydrophobicContact CE2-CB 4.38Å; Y336-R346 HydrophobicContact CE2-CG 4.26Å; Y336-T347 WeakPolarHBondContact CE2-OG1 3.22Å; Y336-T347 VanDerWaalsContact OH-CA 3.31Å; Y336-T347 WeakPolarHBondContact OH-CA 3.44Å; Y336-T347 PolarHBondContact OH-OG1 3.47Å; Y336-M350 HydrophobicContact CD1-CE 4.27Å; Y336-M350 HydrophobicContact CE1-CE 3.88Å; Y336-M350 HydrophobicContact CE1-CG 3.78Å; Y336-M350 HydrophobicContact CE1-SD 4.38Å; Y336-M350 WeakPolarHBondContact OH-CG 3.06Å; Y336-T357 HydrophobicContact CE2-CG2 4.22Å; Y336-T357 PolarHBondContact N-O 3.35Å; Y336-T357 VanDerWaalsContact N-O 3.15Å; Y336-F378 AromaticContact CD1-CZ 3.99Å; Y336-F378 HydrophobicContact CD1-CZ 3.99Å; Y336-F378 HydrophobicContact CE1-CE2 4.45Å; Y336-F378 HydrophobicContact CE1-CZ 4.19Å; Y336-F382 HydrophobicContact CD1-CD2 4.34Å
337T92Very high94.4Very high90 Ų9052.7 Ų52.755%0.55229%0.292SS*.  trans-120.5168.2-172.367.50000111.3N339 D340 Y343T337-N339 PolarHBondContact O-N 2.66Å; T337-D340 WeakPolarHBondContact O-CB 3.43Å; T337-D340 PolarHBondContact O-N 3.34Å; T337-Y343 WeakPolarHBondContact O-CD2 3.49Å
338S92.6Very high94.7Very high85 Ų8553.4 Ų53.459%0.59430%0.298SS*.THydrogen-bonded Turntrans-59.3-11.7177.555.20000114.6D340S338-D340 VanDerWaalsContact C-N 3.27Å
339N92.5Very high94.7Very high148 Ų14852.8 Ų52.879%0.79130%0.296SS*.THydrogen-bonded Turntrans-79.3-7.3175.9-64.8-5.7000113T337 S341T337-N339 PolarHBondContact O-N 2.66Å; N339-S341 PolarHBondContact O-N 3.11Å
340D90.6Very high94.8Very high36 Ų3652 Ų5219%0.19329%0.29CS..SBendtrans-65.4126.3171.2-174.2-31.3000109.9T337 S338 N342 Y343 R346T337-D340 WeakPolarHBondContact O-CB 3.43Å; T337-D340 PolarHBondContact O-N 3.34Å; S338-D340 VanDerWaalsContact C-N 3.27Å; D340-N342 PolarHBondContact O-N 3.19Å; D340-N342 VanDerWaalsContact O-N 3.07Å; D340-N342 WeakPolarHBondContact OD1-CA 3.47Å; D340-N342 PolarHBondContact OD1-N 2.94Å; D340-Y343 VanDerWaalsContact O-CB 3.22Å; D340-Y343 WeakPolarHBondContact O-CB 3.43Å; D340-Y343 PolarHBondContact O-N 2.81Å; D340-R346 IonicContact OD1-NH2 2.57Å; D340-R346 IonicContact OD2-CZ 3.81Å; D340-R346 IonicContact OD2-NE 3.31Å; D340-R346 PolarHBondContact OD2-NE 3.23Å; D340-R346 IonicContact OD2-NH2 3.78Å; D340-R346 PolarHBondContact OD2-NH2 3.42Å
341S94.1Very high94.7Very high113 Ų11358.4 Ų58.479%0.7932%0.317SS*.THydrogen-bonded Turntrans-59-21.5178.757.70000114N339N339-S341 PolarHBondContact O-N 3.11Å
342N95Very high94.5Very high34 Ų3459.4 Ų59.418%0.18232%0.317CS..THydrogen-bonded Turntrans-110.822.9176.2-58.4-68.9000112D340 E344 L345 R346 L389D340-N342 PolarHBondContact O-N 3.19Å; D340-N342 VanDerWaalsContact O-N 3.07Å; D340-N342 WeakPolarHBondContact OD1-CA 3.47Å; D340-N342 PolarHBondContact OD1-N 2.94Å; N342-E344 PolarHBondContact O-N 3.3Å; N342-L345 PolarHBondContact O-N 3.26Å; N342-R346 WeakPolarHBondContact O-CB 3.36Å; N342-R346 PolarHBondContact O-N 3.37Å; N342-L389 HydrophobicContact CB-CD1 3.7Å
343Y96.4Very high94.3Very high77 Ų7759.6 Ų59.630%0.30232%0.318SS..Hα-helixtrans-50.2-49.7-171.1178.1-105.9000114.3Y336 T337 D340 T347 T357Y336-Y343 AromaticContact CD2-CD2 3.79Å; Y336-Y343 HydrophobicContact CD2-CD2 3.79Å; Y336-Y343 AromaticContact CD2-CE2 3.96Å; Y336-Y343 HydrophobicContact CD2-CE2 3.96Å; Y336-Y343 AromaticContact CE2-CD2 3.84Å; Y336-Y343 HydrophobicContact CE2-CD2 3.84Å; Y336-Y343 AromaticContact CE2-CE2 3.83Å; Y336-Y343 HydrophobicContact CE2-CE2 3.83Å; T337-Y343 WeakPolarHBondContact O-CD2 3.49Å; D340-Y343 VanDerWaalsContact O-CB 3.22Å; D340-Y343 WeakPolarHBondContact O-CB 3.43Å; D340-Y343 PolarHBondContact O-N 2.81Å; Y343-T347 VanDerWaalsContact O-CB 3.24Å; Y343-T347 WeakPolarHBondContact O-CB 3.42Å; Y343-T347 PolarHBondContact O-N 2.74Å; Y343-T347 PolarHBondContact O-OG1 2.57Å; Y343-T357 HydrophobicContact CE2-CG2 4.46Å
344E96.5Very high94.2Very high156 Ų15659.8 Ų59.873%0.72932%0.323SS*.Hα-helixtrans-63.5-51.5-179.3-65.9-175.7170.500111.2N342 R346 T347 D348N342-E344 PolarHBondContact O-N 3.3Å; E344-R346 VanDerWaalsContact C-N 3.35Å; E344-R346 PolarHBondContact O-N 3.16Å; E344-T347 PolarHBondContact O-N 3.29Å; E344-T347 VanDerWaalsContact O-N 3.14Å; E344-D348 PolarHBondContact O-N 2.78Å
345L96.7Very high94.2Very high32 Ų3260.5 Ų60.517%0.16833%0.326CS..Hα-helixtrans-61-43.5179.5178.960.8000111.7N342 T347 D348 V349 K386 L389 K393N342-L345 PolarHBondContact O-N 3.26Å; L345-T347 VanDerWaalsContact C-N 3.32Å; L345-T347 PolarHBondContact O-N 2.95Å; L345-D348 PolarHBondContact O-N 2.76Å; L345-V349 WeakPolarHBondContact O-CG2 3.16Å; L345-V349 PolarHBondContact O-N 2.95Å; L345-K386 HydrophobicContact CD2-CG 4.13Å; L345-L389 HydrophobicContact CD2-CB 3.62Å; L345-L389 HydrophobicContact CD2-CD1 4.08Å; L345-L389 HydrophobicContact CG-CB 3.84Å; L345-L389 HydrophobicContact CG-CD1 4.13Å; L345-K393 HydrophobicContact CD1-CB 4.41Å; L345-K393 HydrophobicContact CD1-CD 3.47Å; L345-K393 VanDerWaalsContact CD1-CD 3.47Å
346R96.6Very high94.3Very high11 Ų1166.1 Ų66.14%0.04234%0.342CS..Hα-helixtrans-64.9-38.7176.8-167.7178.4-51.2-65.80.5111.1Y336 D340 N342 E344 V349 M350 M381 F382 A384 L389Y336-R346 HydrophobicContact CE2-CB 4.38Å; Y336-R346 HydrophobicContact CE2-CG 4.26Å; D340-R346 IonicContact OD1-NH2 2.57Å; D340-R346 IonicContact OD2-CZ 3.81Å; D340-R346 IonicContact OD2-NE 3.31Å; D340-R346 PolarHBondContact OD2-NE 3.23Å; D340-R346 IonicContact OD2-NH2 3.78Å; D340-R346 PolarHBondContact OD2-NH2 3.42Å; N342-R346 WeakPolarHBondContact O-CB 3.36Å; N342-R346 PolarHBondContact O-N 3.37Å; E344-R346 VanDerWaalsContact C-N 3.35Å; E344-R346 PolarHBondContact O-N 3.16Å; R346-V349 PolarHBondContact O-N 3.43Å; R346-M350 HydrophobicContact CG-CE 4.25Å; R346-M350 HydrophobicContact CG-CG 4.17Å; R346-M350 WeakPolarHBondContact O-CB 3.26Å; R346-M350 WeakPolarHBondContact O-CG 3.13Å; R346-M350 PolarHBondContact O-N 3.03Å; R346-M381 PolarHBondContact NH1-O 3.15Å; R346-F382 PolarHBondContact NH1-O 3.05Å; R346-F382 VanDerWaalsContact NH1-O 3.13Å; R346-F382 PolarHBondContact NH2-O 3.5Å; R346-A384 PolarHBondContact NH1-O 3.42Å; R346-A384 PolarHBondContact NH2-O 3.37Å; R346-L389 HydrophobicContact CB-CD1 4.12Å; R346-L389 HydrophobicContact CB-CD2 4.29Å; R346-L389 HydrophobicContact CG-CD2 4.17Å
347T96.7Very high94.3Very high14 Ų1467.7 Ų67.79%0.08635%0.354CS..Hα-helixtrans-64.8-41.1176.6-61.60000112.3Y336 Y343 E344 L345 K351 T357Y336-T347 WeakPolarHBondContact CE2-OG1 3.22Å; Y336-T347 VanDerWaalsContact OH-CA 3.31Å; Y336-T347 WeakPolarHBondContact OH-CA 3.44Å; Y336-T347 PolarHBondContact OH-OG1 3.47Å; Y343-T347 VanDerWaalsContact O-CB 3.24Å; Y343-T347 WeakPolarHBondContact O-CB 3.42Å; Y343-T347 PolarHBondContact O-N 2.74Å; Y343-T347 PolarHBondContact O-OG1 2.57Å; E344-T347 PolarHBondContact O-N 3.29Å; E344-T347 VanDerWaalsContact O-N 3.14Å; L345-T347 VanDerWaalsContact C-N 3.32Å; L345-T347 PolarHBondContact O-N 2.95Å; T347-K351 HydrophobicContact CG2-CD 4.14Å; T347-K351 HydrophobicContact CG2-CG 4.5Å; T347-K351 WeakPolarHBondContact O-CB 3.46Å; T347-K351 VanDerWaalsContact O-CG 3.26Å; T347-K351 WeakPolarHBondContact O-CG 3.27Å; T347-K351 PolarHBondContact O-N 3.28Å; T347-T357 HydrophobicContact CG2-CG2 4.34Å
348D95.2Very high94.4Very high70 Ų7065.7 Ų65.737%0.37434%0.344SS..Hα-helixtrans-61.9-45.5173.8-72.7-11.2000111.6E344 L345 K351 K352 K393E344-D348 PolarHBondContact O-N 2.78Å; L345-D348 PolarHBondContact O-N 2.76Å; D348-K351 PolarHBondContact O-N 3.38Å; D348-K352 WeakPolarHBondContact O-CB 3.41Å; D348-K352 PolarHBondContact O-N 3.22Å; D348-K393 HydrophobicContact CB-CD 4.46Å; D348-K393 IonicContact OD2-NZ 2.99Å; D348-K393 PolarHBondContact OD2-NZ 3.48Å
349V94.7Very high94.5Very high0 Ų063.3 Ų63.30%032%0.323CS..Hα-helixtrans-63-49.4177.8169.80000111L345 R346 K351 K352 H353 M381 L389 L392 K393L345-V349 WeakPolarHBondContact O-CG2 3.16Å; L345-V349 PolarHBondContact O-N 2.95Å; R346-V349 PolarHBondContact O-N 3.43Å; V349-K351 VanDerWaalsContact C-N 3.34Å; V349-K351 PolarHBondContact O-N 3.47Å; V349-K352 WeakPolarHBondContact O-CB 3.41Å; V349-K352 PolarHBondContact O-N 2.81Å; V349-H353 PolarHBondContact O-CD2 3.28Å; V349-H353 VanDerWaalsContact O-CD2 3.28Å; V349-H353 PolarHBondContact O-N 3.31Å; V349-H353 VanDerWaalsContact O-N 3.13Å; V349-M381 HydrophobicContact CG1-CG 4.18Å; V349-M381 HydrophobicContact CG1-SD 3.86Å; V349-L389 HydrophobicContact CB-CD2 4.09Å; V349-L389 HydrophobicContact CG1-CD2 4.1Å; V349-L389 HydrophobicContact CG2-CB 4.46Å; V349-L389 HydrophobicContact CG2-CD2 4.05Å; V349-L389 VanDerWaalsContact CG2-O 3.31Å; V349-L389 WeakPolarHBondContact CG2-O 3.44Å; V349-L392 HydrophobicContact CG1-CB 3.75Å; V349-L392 HydrophobicContact CG1-CD1 3.87Å; V349-L392 HydrophobicContact CG1-CG 4.45Å; V349-L392 HydrophobicContact CG2-CB 4.27Å; V349-K393 HydrophobicContact CG2-CB 3.86Å
350M95.2Very high94.7Very high0 Ų060.8 Ų60.80%031%0.31CS..Hα-helixtrans-57.7-46.4178.4-71.4-74.6-167.400111.3Y336 R346 K352 H353 N354 F355 F378 M381 F382Y336-M350 HydrophobicContact CD1-CE 4.27Å; Y336-M350 HydrophobicContact CE1-CE 3.88Å; Y336-M350 HydrophobicContact CE1-CG 3.78Å; Y336-M350 HydrophobicContact CE1-SD 4.38Å; Y336-M350 WeakPolarHBondContact OH-CG 3.06Å; R346-M350 HydrophobicContact CG-CE 4.25Å; R346-M350 HydrophobicContact CG-CG 4.17Å; R346-M350 WeakPolarHBondContact O-CB 3.26Å; R346-M350 WeakPolarHBondContact O-CG 3.13Å; R346-M350 PolarHBondContact O-N 3.03Å; M350-K352 PolarHBondContact O-N 3.37Å; M350-H353 CarbonylContact O-C 3.52Å; M350-H353 PolarHBondContact O-N 3.01Å; M350-H353 VanDerWaalsContact O-N 3.08Å; M350-N354 PolarHBondContact O-N 3.3Å; M350-F355 CarbonylContact C-O 3.53Å; M350-F355 VanDerWaalsContact C-O 3.3Å; M350-F355 HydrophobicContact CB-CB 4.14Å; M350-F355 PolarHBondContact O-N 3.42Å; M350-F355 HydrophobicContact SD-CB 4.04Å; M350-F378 HydrophobicContact CE-CD1 4.45Å; M350-F378 HydrophobicContact CE-CD2 4.05Å; M350-F378 HydrophobicContact CE-CE1 4.3Å; M350-F378 HydrophobicContact CE-CE2 3.91Å; M350-F378 HydrophobicContact CE-CG 4.33Å; M350-F378 HydrophobicContact CE-CZ 4.03Å; M350-F378 HydrophobicContact SD-CD2 3.88Å; M350-F378 HydrophobicContact SD-CE2 3.93Å; M350-M381 HydrophobicContact CE-CB 3.51Å; M350-M381 HydrophobicContact SD-CB 3.71Å; M350-M381 HydrophobicContact SD-CE 3.8Å; M350-M381 HydrophobicContact SD-SD 4.11Å; M350-F382 HydrophobicContact CE-CB 4.24Å
351K94.3Very high94.9Very high135 Ų13559.3 Ų59.359%0.58730%0.302SS*.Hα-helixtrans-59.9-43.2176.4-76.4173.3-178.9172.60112.5T347 D348 V349 H353 N354 F355T347-K351 HydrophobicContact CG2-CD 4.14Å; T347-K351 HydrophobicContact CG2-CG 4.5Å; T347-K351 WeakPolarHBondContact O-CB 3.46Å; T347-K351 VanDerWaalsContact O-CG 3.26Å; T347-K351 WeakPolarHBondContact O-CG 3.27Å; T347-K351 PolarHBondContact O-N 3.28Å; D348-K351 PolarHBondContact O-N 3.38Å; V349-K351 VanDerWaalsContact C-N 3.34Å; V349-K351 PolarHBondContact O-N 3.47Å; K351-H353 PolarHBondContact O-N 2.87Å; K351-N354 PolarHBondContact O-N 3.4Å; K351-F355 PolarHBondContact N-O 3.37Å
352K92.6Very high95Very high78 Ų7855.7 Ų55.734%0.33928%0.276SS..Hα-helixtrans-58.1-33.2175.9179.8-176.6175.8-173.80112D348 V349 M350 N354 L392 K393 A395D348-K352 WeakPolarHBondContact O-CB 3.41Å; D348-K352 PolarHBondContact O-N 3.22Å; V349-K352 WeakPolarHBondContact O-CB 3.41Å; V349-K352 PolarHBondContact O-N 2.81Å; M350-K352 PolarHBondContact O-N 3.37Å; K352-N354 VanDerWaalsContact C-N 3.35Å; K352-L392 PolarHBondContact NZ-O 2.94Å; K352-K393 PolarHBondContact NZ-O 3.08Å; K352-A395 PolarHBondContact NZ-O 2.9Å
353H91.1Very high95.1Very high8 Ų854 Ų544%0.03727%0.267CS..THydrogen-bonded Turntrans-94.819176.6-70.9-92000113.5V349 M350 K351 F355 M381 T469V349-H353 PolarHBondContact O-CD2 3.28Å; V349-H353 VanDerWaalsContact O-CD2 3.28Å; V349-H353 PolarHBondContact O-N 3.31Å; V349-H353 VanDerWaalsContact O-N 3.13Å; M350-H353 CarbonylContact O-C 3.52Å; M350-H353 PolarHBondContact O-N 3.01Å; M350-H353 VanDerWaalsContact O-N 3.08Å; K351-H353 PolarHBondContact O-N 2.87Å; H353-F355 VanDerWaalsContact C-N 3.29Å; H353-F355 HydrophobicContact CB-CD2 3.93Å; H353-F355 HydrophobicContact CB-CE2 4.25Å; H353-F355 VanDerWaalsContact O-CD2 3.26Å; H353-F355 WeakPolarHBondContact O-CD2 3.35Å; H353-F355 WeakPolarHBondContact O-CE2 3.38Å; H353-F355 PolarHBondContact O-N 2.84Å; H353-M381 HydrophobicContact CB-CE 3.88Å; H353-M381 HydrophobicContact CB-SD 3.72Å; H353-T469 PolarHBondContact ND1-O 3.14Å
354N93.5Very high95Very high122 Ų12253.5 Ų53.565%0.65227%0.269SS*.THydrogen-bonded Turntrans61.228.8178.4-63.3-37.6000115.3M350 K351 K352 A471M350-N354 PolarHBondContact O-N 3.3Å; K351-N354 PolarHBondContact O-N 3.4Å; K352-N354 VanDerWaalsContact C-N 3.35Å; N354-A471 HydrophobicContact CB-CB 4.4Å; N354-A471 WeakPolarHBondContact ND2-CB 3.27Å
355F95.1Very high94.9Very high16 Ų1647 Ų477%0.0724%0.238CC..  trans-105.7141.7172-66.7-69.1000112.1M350 K351 H353 E359 F361 N374 R377 F378 M381M350-F355 CarbonylContact C-O 3.53Å; M350-F355 VanDerWaalsContact C-O 3.3Å; M350-F355 HydrophobicContact CB-CB 4.14Å; M350-F355 PolarHBondContact O-N 3.42Å; M350-F355 HydrophobicContact SD-CB 4.04Å; K351-F355 PolarHBondContact N-O 3.37Å; H353-F355 VanDerWaalsContact C-N 3.29Å; H353-F355 HydrophobicContact CB-CD2 3.93Å; H353-F355 HydrophobicContact CB-CE2 4.25Å; H353-F355 VanDerWaalsContact O-CD2 3.26Å; H353-F355 WeakPolarHBondContact O-CD2 3.35Å; H353-F355 WeakPolarHBondContact O-CE2 3.38Å; H353-F355 PolarHBondContact O-N 2.84Å; F355-E359 HydrophobicContact CB-CG 4.4Å; F355-E359 HydrophobicContact CD1-CG 4.05Å; F355-F361 HydrophobicContact CD1-CZ 4.34Å; F355-F361 AromaticContact CE1-CE1 3.94Å; F355-F361 HydrophobicContact CE1-CE1 3.94Å; F355-F361 HydrophobicContact CE1-CZ 4.12Å; F355-N374 HydrophobicContact CE1-CB 3.84Å; F355-N374 HydrophobicContact CZ-CB 3.77Å; F355-R377 HydrophobicContact CE2-CB 4.31Å; F355-R377 HydrophobicContact CZ-CB 4.27Å; F355-F378 HydrophobicContact CB-CD2 4.21Å; F355-F378 HydrophobicContact CD1-CD2 4.06Å; F355-F378 HydrophobicContact CG-CD2 4.11Å; F355-M381 HydrophobicContact CD2-CE 3.16Å; F355-M381 HydrophobicContact CE2-CE 3.31Å; F355-M381 HydrophobicContact CG-CE 4.26Å; F355-M381 HydrophobicContact CZ-CE 4.48Å
356K95Very high94.7Very high144 Ų14449.8 Ų49.863%0.62625%0.253SS*.  trans-83.1172.5167.2-60.2165.7-168.9167.20110.5S358 E359K356-S358 PolarHBondContact O-N 3.32Å; K356-E359 HydrophobicContact CB-CG 4.15Å; K356-E359 WeakPolarHBondContact CB-OE1 3.45Å; K356-E359 WeakPolarHBondContact CD-OE1 3.35Å; K356-E359 WeakPolarHBondContact CG-OE1 3.43Å; K356-E359 PolarHBondContact N-OE1 2.9Å
357T93.9Very high94.4Very high53 Ų5356.7 Ų56.733%0.32528%0.283SS..SBendtrans-66.2-21.1175.151.30000113.3G335 Y336 Y343 T347G335-T357 WeakPolarHBondContact CA-O 3.48Å; Y336-T357 HydrophobicContact CE2-CG2 4.22Å; Y336-T357 PolarHBondContact N-O 3.35Å; Y336-T357 VanDerWaalsContact N-O 3.15Å; Y343-T357 HydrophobicContact CE2-CG2 4.46Å; T347-T357 HydrophobicContact CG2-CG2 4.34Å
358S94.3Very high94.2Very high48 Ų4863.2 Ų63.234%0.33632%0.315SS..EExtended strand (participates in β ladder)trans-140.7123.3175.4-178.60000108.6Q333 L334 K356Q333-S358 WeakPolarHBondContact CG-OG 3.43Å; Q333-S358 PolarHBondContact NE2-OG 3.41Å; L334-S358 WeakPolarHBondContact O-CA 3.45Å; K356-S358 PolarHBondContact O-N 3.32Å
359E95.5Very high94.1Very high35 Ų3560.6 Ų60.616%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-132150.2-173.9-74.1-70179.300111.6Q333 L334 F355 K356 F361 F378Q333-E359 WeakPolarHBondContact CA-O 3.19Å; L334-E359 PolarHBondContact N-O 3.02Å; L334-E359 PolarHBondContact O-N 2.73Å; F355-E359 HydrophobicContact CB-CG 4.4Å; F355-E359 HydrophobicContact CD1-CG 4.05Å; K356-E359 HydrophobicContact CB-CG 4.15Å; K356-E359 WeakPolarHBondContact CB-OE1 3.45Å; K356-E359 WeakPolarHBondContact CD-OE1 3.35Å; K356-E359 WeakPolarHBondContact CG-OE1 3.43Å; K356-E359 PolarHBondContact N-OE1 2.9Å; E359-F361 HydrophobicContact CB-CE1 4.34Å; E359-F361 HydrophobicContact CB-CE2 3.61Å; E359-F361 HydrophobicContact CB-CZ 3.5Å; E359-F361 HydrophobicContact CG-CZ 4.42Å; E359-F378 HydrophobicContact CB-CD2 4.42Å; E359-F378 HydrophobicContact CB-CE2 4.34Å; E359-F378 HydrophobicContact CG-CD2 4.46Å; E359-F378 HydrophobicContact CG-CE2 4.31Å
360N95.4Very high94.1Very high94 Ų9463.1 Ų63.150%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-103.6130.8178.9-70-16.6000109.3V331 I332 Q333V331-N360 HydrophobicContact CG1-CB 3.71Å; I332-N360 CarbonylContact O-C 3.43Å; I332-N360 VanDerWaalsContact O-CA 3.28Å; I332-N360 WeakPolarHBondContact O-CA 3.18Å; Q333-N360 PolarHBondContact NE2-OD1 2.94Å; Q333-N360 VanDerWaalsContact NE2-OD1 3.14Å
361F96Very high94Very high6 Ų663.7 Ų63.73%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-125.8148.3-179.6-58.6-74000110.7V331 I332 L334 F355 E359 N374 A375 F378V331-F361 CarbonylContact C-O 3.59Å; V331-F361 WeakPolarHBondContact CA-O 3.46Å; I332-F361 HydrophobicContact CG1-CB 4.01Å; I332-F361 PolarHBondContact N-O 3.48Å; I332-F361 PolarHBondContact O-N 3.4Å; L334-F361 HydrophobicContact CB-CD2 4.19Å; L334-F361 HydrophobicContact CB-CE2 3.96Å; L334-F361 HydrophobicContact CD1-CD2 3.8Å; L334-F361 HydrophobicContact CD1-CE2 3.98Å; L334-F361 HydrophobicContact CG-CD2 3.94Å; L334-F361 HydrophobicContact CG-CE2 4.18Å; F355-F361 HydrophobicContact CD1-CZ 4.34Å; F355-F361 AromaticContact CE1-CE1 3.94Å; F355-F361 HydrophobicContact CE1-CE1 3.94Å; F355-F361 HydrophobicContact CE1-CZ 4.12Å; E359-F361 HydrophobicContact CB-CE1 4.34Å; E359-F361 HydrophobicContact CB-CE2 3.61Å; E359-F361 HydrophobicContact CB-CZ 3.5Å; E359-F361 HydrophobicContact CG-CZ 4.42Å; F361-N374 HydrophobicContact CD1-CB 4.19Å; F361-N374 VanDerWaalsContact CE1-C 3.43Å; F361-N374 HydrophobicContact CE1-CB 3.82Å; F361-N374 WeakPolarHBondContact CE1-O 3.27Å; F361-A375 HydrophobicContact CB-CB 3.77Å; F361-A375 HydrophobicContact CD1-CB 3.81Å; F361-A375 HydrophobicContact CD2-CB 4.19Å; F361-A375 HydrophobicContact CE1-CB 4.48Å; F361-A375 HydrophobicContact CG-CB 3.63Å; F361-F378 HydrophobicContact CE1-CB 4.3Å; F361-F378 HydrophobicContact CE2-CB 4.04Å; F361-F378 HydrophobicContact CE2-CD1 4.26Å; F361-F378 HydrophobicContact CE2-CD2 4.19Å; F361-F378 AromaticContact CE2-CG 3.9Å; F361-F378 HydrophobicContact CE2-CG 3.9Å; F361-F378 HydrophobicContact CZ-CB 3.51Å; F361-F378 HydrophobicContact CZ-CD1 4.49Å; F361-F378 AromaticContact CZ-CD2 3.81Å; F361-F378 HydrophobicContact CZ-CD2 3.81Å; F361-F378 AromaticContact CZ-CG 3.69Å; F361-F378 HydrophobicContact CZ-CG 3.69Å
362C95.7Very high93.8Very high36 Ų3659.7 Ų59.724%0.24331%0.307CS..EExtended strand (participates in β ladder)trans-97.3133.3-179.1-158.40000111.5I364 D372C362-I364 HydrophobicContact CB-CG1 4.38Å; C362-I364 VanDerWaalsContact SG-CG1 3.58Å; C362-D372 PolarHBondContact O-N 2.96Å
363L96.4Very high93.6Very high0 Ų062 Ų620%032%0.319CS..EExtended strand (participates in β ladder)trans-104.7129.6163.3-50.8-180000107.4A329 V330 I332 I371 L417 L450 Y451A329-L363 CarbonylContact C-O 3.3Å; A329-L363 WeakPolarHBondContact CA-O 3.49Å; A329-L363 WeakPolarHBondContact CB-O 3.27Å; V330-L363 PolarHBondContact N-O 3.01Å; V330-L363 PolarHBondContact O-N 3.3Å; I332-L363 HydrophobicContact CD1-CD1 4.48Å; I332-L363 HydrophobicContact CD1-CD2 4.08Å; I332-L363 HydrophobicContact CD1-CG 4.37Å; I332-L363 HydrophobicContact CG1-CG 4.45Å; I332-L363 HydrophobicContact CG2-CD1 3.72Å; I332-L363 HydrophobicContact CG2-CG 4.14Å; L363-I371 HydrophobicContact CD2-CB 4.3Å; L363-I371 HydrophobicContact CD2-CD1 4.2Å; L363-I371 HydrophobicContact CD2-CG1 3.85Å; L363-I371 HydrophobicContact CD2-CG2 3.85Å; L363-L417 HydrophobicContact CD1-CD2 3.55Å; L363-L417 HydrophobicContact CD2-CD2 4.3Å; L363-L450 HydrophobicContact CB-CD1 4.43Å; L363-L450 HydrophobicContact CB-CD2 4.04Å; L363-L450 HydrophobicContact CB-CG 4.11Å; L363-Y451 HydrophobicContact CD1-CD1 3.54Å; L363-Y451 HydrophobicContact CD1-CE1 3.73Å
364I95.1Very high93.7Very high66 Ų6664.3 Ų64.334%0.33833%0.332SS..EExtended strand (participates in β ladder)trans-125.7133.7-173.3-56.8170.9000108.7A329 C362 V369 S370A329-I364 HydrophobicContact CB-CG1 4.19Å; C362-I364 HydrophobicContact CB-CG1 4.38Å; C362-I364 VanDerWaalsContact SG-CG1 3.58Å; I364-V369 CarbonylContact O-C 3.59Å; I364-V369 WeakPolarHBondContact O-CA 3.49Å; I364-S370 PolarHBondContact N-O 3.41Å; I364-S370 PolarHBondContact O-N 3.31Å
365K94.3Very high93.7Very high19 Ų1958.5 Ų58.58%0.08330%0.3CS..EExtended strand (participates in β ladder)trans-105.9119.4160.9-177.271172-1730107.1E326 K327 Y328 K367 V369 L450 E453E326-K365 CarbonylContact O-C 3.36Å; K327-K365 CarbonylContact C-O 3.59Å; K327-K365 WeakPolarHBondContact CA-O 3.21Å; Y328-K365 HydrophobicContact CD1-CB 3.91Å; Y328-K365 HydrophobicContact CD1-CG 4.15Å; Y328-K365 HydrophobicContact CE1-CB 3.67Å; Y328-K365 HydrophobicContact CE1-CG 3.65Å; Y328-K365 HydrophobicContact CG-CB 4.43Å; Y328-K365 PolarHBondContact N-O 3.23Å; Y328-K365 PolarHBondContact O-N 2.93Å; K365-K367 WeakPolarHBondContact CE-O 3.46Å; K365-K367 PolarHBondContact NZ-O 3.39Å; K365-V369 HydrophobicContact CD-CG2 3.71Å; K365-L450 HydrophobicContact CB-CD1 4.13Å; K365-E453 IonicContact NZ-OE1 2.75Å; K365-E453 IonicContact NZ-OE2 3.91Å; K365-E453 PolarHBondContact NZ-OE2 2.86Å
366D92Very high93.6Very high90 Ų9057.8 Ų57.848%0.48130%0.297SS..EExtended strand (participates in β ladder)trans-137.882.8164.4-177.113.7000108.5E326 M368E326-D366 CarbonylContact O-C 3.55Å; E326-D366 WeakPolarHBondContact O-CA 3.41Å; D366-M368 CarbonylContact C-O 2.96Å; D366-M368 PolarHBondContact N-O 2.85Å; D366-M368 PolarHBondContact O-N 3.01Å
367K90.4Very high93.5Very high156 Ų15652.8 Ų52.868%0.67828%0.275SS*.SBendtrans62.1-48.6-163.7-52.5172.5-177.2173.30112.9E326 K365E326-K367 PolarHBondContact O-N 2.89Å; K365-K367 WeakPolarHBondContact CE-O 3.46Å; K365-K367 PolarHBondContact NZ-O 3.39Å
368M92.4Very high93.5Very high151 Ų15150.3 Ų50.374%0.74426%0.259SS*.SBendtrans-108.3156.9171.4-56.8-163.18000110.5D366D366-M368 CarbonylContact C-O 2.96Å; D366-M368 PolarHBondContact N-O 2.85Å; D366-M368 PolarHBondContact O-N 3.01Å
369V94.2Very high93.6Very high16 Ų1648 Ų4810%0.09724%0.243CC..EExtended strand (participates in β ladder)trans-82.6138.8173.9170.60000109.9I364 K365 L450 E453 S454 F457I364-V369 CarbonylContact O-C 3.59Å; I364-V369 WeakPolarHBondContact O-CA 3.49Å; K365-V369 HydrophobicContact CD-CG2 3.71Å; V369-L450 HydrophobicContact CG1-CD1 4.36Å; V369-L450 HydrophobicContact CG2-CD1 3.95Å; V369-E453 HydrophobicContact CG2-CB 3.6Å; V369-E453 WeakPolarHBondContact CG2-OE2 3.42Å; V369-S454 WeakPolarHBondContact CG1-OG 3.25Å; V369-F457 HydrophobicContact CG1-CB 4.19Å; V369-F457 HydrophobicContact CG1-CG 4.36Å; V369-F457 WeakPolarHBondContact O-CD2 3.49Å; V369-F457 WeakPolarHBondContact O-CE2 3.41Å
370S93.5Very high93.5Very high52 Ų5246.5 Ų46.536%0.36424%0.236SC..EExtended strand (participates in β ladder)trans-134.6158.2166.362.90000109.8I364I364-S370 PolarHBondContact N-O 3.41Å; I364-S370 PolarHBondContact O-N 3.31Å
371I93.4Very high93.5Very high13 Ų1342 Ų427%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-130.9139.5-179.2-58.8179.9000106.9L363 E373 A375 L417 F457 V458 W464L363-I371 HydrophobicContact CD2-CB 4.3Å; L363-I371 HydrophobicContact CD2-CD1 4.2Å; L363-I371 HydrophobicContact CD2-CG1 3.85Å; L363-I371 HydrophobicContact CD2-CG2 3.85Å; I371-E373 PolarHBondContact O-N 2.63Å; I371-A375 HydrophobicContact CG2-CB 3.91Å; I371-L417 HydrophobicContact CD1-CD1 4.43Å; I371-F457 HydrophobicContact CB-CD1 4.45Å; I371-F457 HydrophobicContact CB-CE1 4.36Å; I371-F457 HydrophobicContact CD1-CD1 3.76Å; I371-F457 HydrophobicContact CD1-CE1 4.47Å; I371-F457 HydrophobicContact CG1-CD1 3.82Å; I371-F457 HydrophobicContact CG1-CE1 4.19Å; I371-V458 HydrophobicContact CD1-CG2 3.35Å; I371-W464 HydrophobicContact CB-CH2 4.13Å; I371-W464 HydrophobicContact CG2-CH2 4.37Å
372D89.8Confident93.4Very high51 Ų5143.8 Ų43.827%0.27322%0.22SC..  trans-50.2120.6169.6-179.1-7.6000110.7C362 N374 A375C362-D372 PolarHBondContact O-N 2.96Å; D372-N374 PolarHBondContact O-N 2.83Å; D372-N374 VanDerWaalsContact O-N 3.1Å; D372-N374 VanDerWaalsContact OD1-CB 3.28Å; D372-N374 WeakPolarHBondContact OD1-CB 3.42Å; D372-N374 PolarHBondContact OD1-N 3.14Å; D372-N374 PolarHBondContact OD1-ND2 3.42Å; D372-A375 WeakPolarHBondContact O-CB 3.19Å; D372-A375 PolarHBondContact O-N 3.18Å
373E88.7Confident93.4Very high127 Ų12743.8 Ų43.859%0.59322%0.219SC*.Hα-helixtrans-56.6-28.9-179.4-66-177.5177.300112.6I371 A375 F376 R377I371-E373 PolarHBondContact O-N 2.63Å; E373-A375 PolarHBondContact O-N 3.41Å; E373-F376 PolarHBondContact O-N 3.44Å; E373-F376 VanDerWaalsContact O-N 3.15Å; E373-R377 PolarHBondContact O-N 2.94Å; E373-R377 VanDerWaalsContact O-N 3.1Å
374N92.8Very high93.4Very high56 Ų5643.9 Ų43.930%0.29922%0.219SC..Hα-helixtrans-66.8-24.7176.4-68.6-47.2000112.8F355 F361 D372 F376 R377 F378F355-N374 HydrophobicContact CE1-CB 3.84Å; F355-N374 HydrophobicContact CZ-CB 3.77Å; F361-N374 HydrophobicContact CD1-CB 4.19Å; F361-N374 VanDerWaalsContact CE1-C 3.43Å; F361-N374 HydrophobicContact CE1-CB 3.82Å; F361-N374 WeakPolarHBondContact CE1-O 3.27Å; D372-N374 PolarHBondContact O-N 2.83Å; D372-N374 VanDerWaalsContact O-N 3.1Å; D372-N374 VanDerWaalsContact OD1-CB 3.28Å; D372-N374 WeakPolarHBondContact OD1-CB 3.42Å; D372-N374 PolarHBondContact OD1-N 3.14Å; D372-N374 PolarHBondContact OD1-ND2 3.42Å; N374-F376 VanDerWaalsContact C-N 3.29Å; N374-F376 PolarHBondContact O-N 2.91Å; N374-R377 PolarHBondContact O-N 3.4Å; N374-R377 PolarHBondContact OD1-NH1 3.18Å; N374-F378 VanDerWaalsContact O-CB 3.24Å; N374-F378 WeakPolarHBondContact O-CB 2.87Å; N374-F378 PolarHBondContact O-N 3.04Å
375A94.4Very high93.4Very high0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-63.6-38.9173.300000111.1F361 I371 D372 E373 S379F361-A375 HydrophobicContact CB-CB 3.77Å; F361-A375 HydrophobicContact CD1-CB 3.81Å; F361-A375 HydrophobicContact CD2-CB 4.19Å; F361-A375 HydrophobicContact CE1-CB 4.48Å; F361-A375 HydrophobicContact CG-CB 3.63Å; I371-A375 HydrophobicContact CG2-CB 3.91Å; D372-A375 WeakPolarHBondContact O-CB 3.19Å; D372-A375 PolarHBondContact O-N 3.18Å; E373-A375 PolarHBondContact O-N 3.41Å; A375-S379 WeakPolarHBondContact O-CB 3.3Å; A375-S379 PolarHBondContact O-N 3.26Å; A375-S379 PolarHBondContact O-OG 2.81Å
376F92.6Very high93.5Very high1 Ų149.6 Ų49.60%0.00425%0.245CC..Hα-helixtrans-73.3-42.5176.7-171.9-105.5000111.7E373 N374 F378 S379 L380 A409 K410 W464E373-F376 PolarHBondContact O-N 3.44Å; E373-F376 VanDerWaalsContact O-N 3.15Å; N374-F376 VanDerWaalsContact C-N 3.29Å; N374-F376 PolarHBondContact O-N 2.91Å; F376-F378 VanDerWaalsContact C-N 3.34Å; F376-F378 PolarHBondContact O-N 3.05Å; F376-S379 CarbonylContact O-C 3.6Å; F376-S379 WeakPolarHBondContact O-CA 3.43Å; F376-S379 WeakPolarHBondContact O-CB 3.37Å; F376-S379 PolarHBondContact O-N 3.45Å; F376-L380 HydrophobicContact CD1-CD1 3.88Å; F376-L380 HydrophobicContact CD1-CG 4.24Å; F376-L380 HydrophobicContact CE1-CD1 3.6Å; F376-L380 HydrophobicContact CE1-CD2 4.21Å; F376-L380 HydrophobicContact CE1-CG 3.88Å; F376-L380 HydrophobicContact CZ-CD1 4.39Å; F376-L380 HydrophobicContact CZ-CD2 4.21Å; F376-L380 HydrophobicContact CZ-CG 4.2Å; F376-L380 PolarHBondContact O-N 2.95Å; F376-A409 HydrophobicContact CE2-CB 3.9Å; F376-A409 HydrophobicContact CZ-CB 4.16Å; F376-K410 HydrophobicContact CE2-CG 3.65Å; F376-K410 HydrophobicContact CZ-CG 4.13Å; F376-W464 HydrophobicContact CB-CD2 4.02Å; F376-W464 HydrophobicContact CB-CE3 3.49Å; F376-W464 VanDerWaalsContact CB-CE3 3.49Å; F376-W464 HydrophobicContact CB-CH2 4.03Å; F376-W464 HydrophobicContact CB-CZ3 3.51Å; F376-W464 HydrophobicContact CD1-CB 3.82Å; F376-W464 AromaticContact CD1-CD2 3.83Å; F376-W464 HydrophobicContact CD1-CD2 3.83Å; F376-W464 AromaticContact CD1-CE3 3.77Å; F376-W464 HydrophobicContact CD1-CE3 3.77Å; F376-W464 AromaticContact CD1-CG 3.87Å; F376-W464 HydrophobicContact CD1-CG 3.87Å; F376-W464 AromaticContact CD2-CD2 3.87Å; F376-W464 HydrophobicContact CD2-CD2 3.87Å; F376-W464 HydrophobicContact CD2-CE3 4.24Å; F376-W464 HydrophobicContact CD2-CG 4.15Å; F376-W464 HydrophobicContact CE1-CB 3.52Å; F376-W464 HydrophobicContact CE1-CD2 4.26Å; F376-W464 AromaticContact CE1-CG 3.82Å; F376-W464 HydrophobicContact CE1-CG 3.82Å; F376-W464 HydrophobicContact CE2-CD2 4.32Å; F376-W464 HydrophobicContact CE2-CG 4.12Å; F376-W464 HydrophobicContact CG-CB 4.47Å; F376-W464 AromaticContact CG-CD2 3.61Å; F376-W464 HydrophobicContact CG-CD2 3.61Å; F376-W464 AromaticContact CG-CE3 3.55Å; F376-W464 HydrophobicContact CG-CE3 3.55Å; F376-W464 HydrophobicContact CG-CG 4.03Å; F376-W464 HydrophobicContact CG-CZ3 4.07Å; F376-W464 HydrophobicContact CZ-CB 3.98Å; F376-W464 AromaticContact CZ-CG 3.95Å; F376-W464 HydrophobicContact CZ-CG 3.95Å
377R92.7Very high93.6Very high39 Ų3952 Ų5215%0.14725%0.254CS..Hα-helixtrans-57.9-46.4173.6-67.8173.770.5-159.510.2111.5F355 E373 N374 S379 L380 M381 L468 T469F355-R377 HydrophobicContact CE2-CB 4.31Å; F355-R377 HydrophobicContact CZ-CB 4.27Å; E373-R377 PolarHBondContact O-N 2.94Å; E373-R377 VanDerWaalsContact O-N 3.1Å; N374-R377 PolarHBondContact O-N 3.4Å; N374-R377 PolarHBondContact OD1-NH1 3.18Å; R377-S379 VanDerWaalsContact C-N 3.3Å; R377-S379 PolarHBondContact O-N 3.33Å; R377-L380 WeakPolarHBondContact O-CB 3.21Å; R377-L380 PolarHBondContact O-N 2.71Å; R377-M381 WeakPolarHBondContact O-CE 3.13Å; R377-M381 PolarHBondContact O-N 2.94Å; R377-M381 VanDerWaalsContact O-N 3.14Å; R377-L468 HydrophobicContact CB-CD2 4.34Å; R377-L468 HydrophobicContact CG-CD2 4.36Å; R377-T469 PolarHBondContact NH2-O 3.37Å
378F95Very high93.8Very high0 Ų045.5 Ų45.50%023%0.225CC..Hα-helixtrans-57.8-44.6173.4-175.1-82.7000111.1L334 Y336 M350 F355 E359 F361 N374 F376 L380 M381 F382L334-F378 HydrophobicContact CB-CD1 3.99Å; L334-F378 HydrophobicContact CB-CE1 3.74Å; L334-F378 HydrophobicContact CB-CZ 4.45Å; L334-F378 HydrophobicContact CD1-CD1 4.3Å; Y336-F378 AromaticContact CD1-CZ 3.99Å; Y336-F378 HydrophobicContact CD1-CZ 3.99Å; Y336-F378 HydrophobicContact CE1-CE2 4.45Å; Y336-F378 HydrophobicContact CE1-CZ 4.19Å; M350-F378 HydrophobicContact CE-CD1 4.45Å; M350-F378 HydrophobicContact CE-CD2 4.05Å; M350-F378 HydrophobicContact CE-CE1 4.3Å; M350-F378 HydrophobicContact CE-CE2 3.91Å; M350-F378 HydrophobicContact CE-CG 4.33Å; M350-F378 HydrophobicContact CE-CZ 4.03Å; M350-F378 HydrophobicContact SD-CD2 3.88Å; M350-F378 HydrophobicContact SD-CE2 3.93Å; F355-F378 HydrophobicContact CB-CD2 4.21Å; F355-F378 HydrophobicContact CD1-CD2 4.06Å; F355-F378 HydrophobicContact CG-CD2 4.11Å; E359-F378 HydrophobicContact CB-CD2 4.42Å; E359-F378 HydrophobicContact CB-CE2 4.34Å; E359-F378 HydrophobicContact CG-CD2 4.46Å; E359-F378 HydrophobicContact CG-CE2 4.31Å; F361-F378 HydrophobicContact CE1-CB 4.3Å; F361-F378 HydrophobicContact CE2-CB 4.04Å; F361-F378 HydrophobicContact CE2-CD1 4.26Å; F361-F378 HydrophobicContact CE2-CD2 4.19Å; F361-F378 AromaticContact CE2-CG 3.9Å; F361-F378 HydrophobicContact CE2-CG 3.9Å; F361-F378 HydrophobicContact CZ-CB 3.51Å; F361-F378 HydrophobicContact CZ-CD1 4.49Å; F361-F378 AromaticContact CZ-CD2 3.81Å; F361-F378 HydrophobicContact CZ-CD2 3.81Å; F361-F378 AromaticContact CZ-CG 3.69Å; F361-F378 HydrophobicContact CZ-CG 3.69Å; N374-F378 VanDerWaalsContact O-CB 3.24Å; N374-F378 WeakPolarHBondContact O-CB 2.87Å; N374-F378 PolarHBondContact O-N 3.04Å; F376-F378 VanDerWaalsContact C-N 3.34Å; F376-F378 PolarHBondContact O-N 3.05Å; F378-L380 PolarHBondContact O-N 2.9Å; F378-M381 CarbonylContact O-C 3.55Å; F378-M381 PolarHBondContact O-N 3.46Å; F378-F382 HydrophobicContact CD1-CB 4.36Å; F378-F382 HydrophobicContact CE1-CB 4.26Å; F378-F382 HydrophobicContact CE1-CD2 4.1Å; F378-F382 VanDerWaalsContact O-CB 3.27Å; F378-F382 WeakPolarHBondContact O-CB 3.33Å; F378-F382 PolarHBondContact O-N 3.25Å
379S95.1Very high93.9Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-62.2-40.6179-62.70000112.9A375 F376 R377 F382 V383A375-S379 WeakPolarHBondContact O-CB 3.3Å; A375-S379 PolarHBondContact O-N 3.26Å; A375-S379 PolarHBondContact O-OG 2.81Å; F376-S379 CarbonylContact O-C 3.6Å; F376-S379 WeakPolarHBondContact O-CA 3.43Å; F376-S379 WeakPolarHBondContact O-CB 3.37Å; F376-S379 PolarHBondContact O-N 3.45Å; R377-S379 VanDerWaalsContact C-N 3.3Å; R377-S379 PolarHBondContact O-N 3.33Å; S379-F382 WeakPolarHBondContact O-CB 3.28Å; S379-F382 PolarHBondContact O-N 3.1Å; S379-V383 WeakPolarHBondContact O-CG2 3.4Å; S379-V383 PolarHBondContact O-N 2.78Å
380L94.3Very high94Very high3 Ų340.7 Ų40.72%0.01621%0.205CC..Hα-helixtrans-58-50.8173.5-75.4168.5000111.2F376 R377 F378 F382 V383 A384 V401 W405 A409 L468F376-L380 HydrophobicContact CD1-CD1 3.88Å; F376-L380 HydrophobicContact CD1-CG 4.24Å; F376-L380 HydrophobicContact CE1-CD1 3.6Å; F376-L380 HydrophobicContact CE1-CD2 4.21Å; F376-L380 HydrophobicContact CE1-CG 3.88Å; F376-L380 HydrophobicContact CZ-CD1 4.39Å; F376-L380 HydrophobicContact CZ-CD2 4.21Å; F376-L380 HydrophobicContact CZ-CG 4.2Å; F376-L380 PolarHBondContact O-N 2.95Å; R377-L380 WeakPolarHBondContact O-CB 3.21Å; R377-L380 PolarHBondContact O-N 2.71Å; F378-L380 PolarHBondContact O-N 2.9Å; L380-F382 VanDerWaalsContact C-N 3.26Å; L380-F382 PolarHBondContact O-N 3.44Å; L380-V383 PolarHBondContact O-N 2.65Å; L380-A384 PolarHBondContact O-N 2.77Å; L380-A384 VanDerWaalsContact O-N 3.12Å; L380-V401 HydrophobicContact CD1-CG1 4.39Å; L380-V401 HydrophobicContact CD1-CG2 4.25Å; L380-V401 HydrophobicContact CD2-CG1 3.46Å; L380-V401 VanDerWaalsContact CD2-CG1 3.46Å; L380-W405 HydrophobicContact CB-CZ2 4.43Å; L380-W405 HydrophobicContact CD2-CG 4.41Å; L380-W405 PolarHBondContact O-NE1 2.97Å; L380-A409 HydrophobicContact CB-CB 4.47Å; L380-A409 HydrophobicContact CD2-CB 3.61Å; L380-A409 HydrophobicContact CG-CB 3.92Å; L380-L468 HydrophobicContact CB-CD1 3.63Å; L380-L468 HydrophobicContact CD1-CD1 3.57Å; L380-L468 HydrophobicContact CD1-CG 4.01Å; L380-L468 HydrophobicContact CG-CD1 4.21Å
381M94.4Very high93.9Very high0 Ų041.9 Ų41.90%021%0.206CC..Hα-helixtrans-68.8-24.3177.3-70.3-176.1-71.200113R346 V349 M350 H353 F355 R377 F378 L392R346-M381 PolarHBondContact NH1-O 3.15Å; V349-M381 HydrophobicContact CG1-CG 4.18Å; V349-M381 HydrophobicContact CG1-SD 3.86Å; M350-M381 HydrophobicContact CE-CB 3.51Å; M350-M381 HydrophobicContact SD-CB 3.71Å; M350-M381 HydrophobicContact SD-CE 3.8Å; M350-M381 HydrophobicContact SD-SD 4.11Å; H353-M381 HydrophobicContact CB-CE 3.88Å; H353-M381 HydrophobicContact CB-SD 3.72Å; F355-M381 HydrophobicContact CD2-CE 3.16Å; F355-M381 HydrophobicContact CE2-CE 3.31Å; F355-M381 HydrophobicContact CG-CE 4.26Å; F355-M381 HydrophobicContact CZ-CE 4.48Å; R377-M381 WeakPolarHBondContact O-CE 3.13Å; R377-M381 PolarHBondContact O-N 2.94Å; R377-M381 VanDerWaalsContact O-N 3.14Å; F378-M381 CarbonylContact O-C 3.55Å; F378-M381 PolarHBondContact O-N 3.46Å; M381-L392 HydrophobicContact CG-CD1 3.9Å
382F95.4Very high93.9Very high44 Ų4441.3 Ų41.319%0.19320%0.203CC..Hα-helixtrans-73.4-42.8176.8178-84.7000111.5Y336 R346 M350 F378 S379 L380 F412Y336-F382 HydrophobicContact CD1-CD2 4.34Å; R346-F382 PolarHBondContact NH1-O 3.05Å; R346-F382 VanDerWaalsContact NH1-O 3.13Å; R346-F382 PolarHBondContact NH2-O 3.5Å; M350-F382 HydrophobicContact CE-CB 4.24Å; F378-F382 HydrophobicContact CD1-CB 4.36Å; F378-F382 HydrophobicContact CE1-CB 4.26Å; F378-F382 HydrophobicContact CE1-CD2 4.1Å; F378-F382 VanDerWaalsContact O-CB 3.27Å; F378-F382 WeakPolarHBondContact O-CB 3.33Å; F378-F382 PolarHBondContact O-N 3.25Å; S379-F382 WeakPolarHBondContact O-CB 3.28Å; S379-F382 PolarHBondContact O-N 3.1Å; L380-F382 VanDerWaalsContact C-N 3.26Å; L380-F382 PolarHBondContact O-N 3.44Å; F382-F412 HydrophobicContact CD1-CD1 4.15Å; F382-F412 AromaticContact CD1-CD2 3.76Å; F382-F412 HydrophobicContact CD1-CD2 3.76Å; F382-F412 AromaticContact CD1-CE1 3.91Å; F382-F412 HydrophobicContact CD1-CE1 3.91Å; F382-F412 AromaticContact CD1-CE2 3.5Å; F382-F412 HydrophobicContact CD1-CE2 3.5Å; F382-F412 VanDerWaalsContact CD1-CE2 3.5Å; F382-F412 HydrophobicContact CD1-CG 4.07Å; F382-F412 AromaticContact CD1-CZ 3.57Å; F382-F412 HydrophobicContact CD1-CZ 3.57Å; F382-F412 HydrophobicContact CD2-CZ 4.3Å; F382-F412 AromaticContact CE1-CD2 3.53Å; F382-F412 HydrophobicContact CE1-CD2 3.53Å; F382-F412 HydrophobicContact CE1-CE1 4.36Å; F382-F412 AromaticContact CE1-CE2 3.11Å; F382-F412 HydrophobicContact CE1-CE2 3.11Å; F382-F412 HydrophobicContact CE1-CG 4.3Å; F382-F412 AromaticContact CE1-CZ 3.59Å; F382-F412 HydrophobicContact CE1-CZ 3.59Å; F382-F412 HydrophobicContact CE2-CE2 4.39Å; F382-F412 HydrophobicContact CE2-CZ 4.26Å; F382-F412 HydrophobicContact CG-CE1 4.2Å; F382-F412 HydrophobicContact CG-CE2 4.32Å; F382-F412 AromaticContact CG-CZ 3.97Å; F382-F412 HydrophobicContact CG-CZ 3.97Å; F382-F412 HydrophobicContact CZ-CD2 4.44Å; F382-F412 AromaticContact CZ-CE2 3.63Å; F382-F412 HydrophobicContact CZ-CE2 3.63Å; F382-F412 AromaticContact CZ-CZ 3.95Å; F382-F412 HydrophobicContact CZ-CZ 3.95Å
383V95.5Very high94Very high36 Ų3643.4 Ų43.422%0.21821%0.21CC..Hα-helixtrans-86.7-7.4-178.4-55.70000113.8S379 L380 N385 K408 A409 F412S379-V383 WeakPolarHBondContact O-CG2 3.4Å; S379-V383 PolarHBondContact O-N 2.78Å; L380-V383 PolarHBondContact O-N 2.65Å; V383-N385 PolarHBondContact O-N 3.29Å; V383-K408 HydrophobicContact CB-CB 4.43Å; V383-K408 HydrophobicContact CG2-CB 4.01Å; V383-A409 HydrophobicContact CG2-CB 3.99Å; V383-F412 HydrophobicContact CG1-CB 3.54Å; V383-F412 HydrophobicContact CG1-CD1 4.38Å; V383-F412 HydrophobicContact CG1-CD2 4.48Å; V383-F412 HydrophobicContact CG1-CG 3.88Å
384A95.1Very high94.2Very high1 Ų142.1 Ų42.11%0.00821%0.211CC..  trans-57.6132.7-178.300000111.8R346 L380 Q388 L389 W405R346-A384 PolarHBondContact NH1-O 3.42Å; R346-A384 PolarHBondContact NH2-O 3.37Å; L380-A384 PolarHBondContact O-N 2.77Å; L380-A384 VanDerWaalsContact O-N 3.12Å; A384-Q388 HydrophobicContact CB-CB 3.98Å; A384-L389 HydrophobicContact CB-CD2 3.82Å; A384-L389 HydrophobicContact CB-CG 3.81Å; A384-W405 HydrophobicContact CB-CZ2 3.69Å
385N95Very high93.9Very high68 Ų6840.6 Ų40.636%0.36421%0.206SC..  trans-75.3176.4171.272.930.5000110.9V383 E387 Q388 L389V383-N385 PolarHBondContact O-N 3.29Å; N385-E387 VanDerWaalsContact C-N 3.31Å; N385-E387 PolarHBondContact O-N 2.88Å; N385-E387 WeakPolarHBondContact OD1-CB 3.27Å; N385-E387 PolarHBondContact OD1-N 2.84Å; N385-Q388 PolarHBondContact O-N 2.94Å; N385-Q388 WeakPolarHBondContact OD1-CG 3.5Å; N385-Q388 PolarHBondContact OD1-N 2.92Å; N385-L389 WeakPolarHBondContact O-CB 3.26Å; N385-L389 VanDerWaalsContact O-CG 3.29Å; N385-L389 WeakPolarHBondContact O-CG 3.45Å; N385-L389 PolarHBondContact O-N 2.82Å
386K96Very high93.3Very high138 Ų13849.6 Ų49.660%0.625%0.248SC*.Hα-helixtrans-60-38.1-176.9-172.5175.3179.7178.60113.4L345 T390L345-K386 HydrophobicContact CD2-CG 4.13Å; K386-T390 WeakPolarHBondContact O-CB 3.33Å; K386-T390 PolarHBondContact O-N 3.5Å; K386-T390 PolarHBondContact O-OG1 2.99Å
387E94.8Very high92.6Very high141 Ų14153.6 Ų53.666%0.65928%0.276SS*.Hα-helixtrans-68.4-49.8178.9-176177.3-175.500110.9N385 L389 T390 I391N385-E387 VanDerWaalsContact C-N 3.31Å; N385-E387 PolarHBondContact O-N 2.88Å; N385-E387 WeakPolarHBondContact OD1-CB 3.27Å; N385-E387 PolarHBondContact OD1-N 2.84Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 3.36Å; E387-T390 WeakPolarHBondContact O-CA 3.13Å; E387-T390 WeakPolarHBondContact O-CB 3.34Å; E387-T390 PolarHBondContact O-N 3.42Å; E387-I391 HydrophobicContact CG-CD1 4.36Å; E387-I391 WeakPolarHBondContact O-CG1 3.29Å; E387-I391 PolarHBondContact O-N 3.06Å
388Q95Very high92.1Very high19 Ų1954.4 Ų54.49%0.08929%0.288CS..Hα-helixtrans-59.4-41.6176.2-69.6167.1-27.900112A384 N385 T390 I391 L392 W405A384-Q388 HydrophobicContact CB-CB 3.98Å; N385-Q388 PolarHBondContact O-N 2.94Å; N385-Q388 WeakPolarHBondContact OD1-CG 3.5Å; N385-Q388 PolarHBondContact OD1-N 2.92Å; Q388-T390 VanDerWaalsContact C-N 3.32Å; Q388-T390 PolarHBondContact O-N 3.33Å; Q388-I391 PolarHBondContact O-N 3.42Å; Q388-L392 WeakPolarHBondContact O-CG 3.34Å; Q388-L392 PolarHBondContact O-N 3.29Å; Q388-W405 HydrophobicContact CB-CE3 4.49Å; Q388-W405 HydrophobicContact CB-CH2 4.16Å; Q388-W405 HydrophobicContact CB-CZ2 4.23Å; Q388-W405 HydrophobicContact CB-CZ3 4.29Å; Q388-W405 HydrophobicContact CG-CD2 4.27Å; Q388-W405 HydrophobicContact CG-CE3 4.13Å; Q388-W405 HydrophobicContact CG-CZ3 4.33Å
389L95.2Very high91.7Very high0 Ų054.6 Ų54.60%029%0.29CS..Hα-helixtrans-62.7-38.6173-76.4175.5000112.4N342 L345 R346 V349 A384 N385 E387 L392 K393N342-L389 HydrophobicContact CB-CD1 3.7Å; L345-L389 HydrophobicContact CD2-CB 3.62Å; L345-L389 HydrophobicContact CD2-CD1 4.08Å; L345-L389 HydrophobicContact CG-CB 3.84Å; L345-L389 HydrophobicContact CG-CD1 4.13Å; R346-L389 HydrophobicContact CB-CD1 4.12Å; R346-L389 HydrophobicContact CB-CD2 4.29Å; R346-L389 HydrophobicContact CG-CD2 4.17Å; V349-L389 HydrophobicContact CB-CD2 4.09Å; V349-L389 HydrophobicContact CG1-CD2 4.1Å; V349-L389 HydrophobicContact CG2-CB 4.46Å; V349-L389 HydrophobicContact CG2-CD2 4.05Å; V349-L389 VanDerWaalsContact CG2-O 3.31Å; V349-L389 WeakPolarHBondContact CG2-O 3.44Å; A384-L389 HydrophobicContact CB-CD2 3.82Å; A384-L389 HydrophobicContact CB-CG 3.81Å; N385-L389 WeakPolarHBondContact O-CB 3.26Å; N385-L389 VanDerWaalsContact O-CG 3.29Å; N385-L389 WeakPolarHBondContact O-CG 3.45Å; N385-L389 PolarHBondContact O-N 2.82Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 3.36Å; L389-L392 PolarHBondContact O-N 2.68Å; L389-K393 WeakPolarHBondContact O-CB 3.42Å; L389-K393 PolarHBondContact O-N 2.87Å
390T94.7Very high91.3Very high66 Ų6660.2 Ų60.241%0.40532%0.324SS..Hα-helixtrans-65.4-44.4177.1-57.10000110.3K386 E387 Q388 L392 K393 T394K386-T390 WeakPolarHBondContact O-CB 3.33Å; K386-T390 PolarHBondContact O-N 3.5Å; K386-T390 PolarHBondContact O-OG1 2.99Å; E387-T390 WeakPolarHBondContact O-CA 3.13Å; E387-T390 WeakPolarHBondContact O-CB 3.34Å; E387-T390 PolarHBondContact O-N 3.42Å; Q388-T390 VanDerWaalsContact C-N 3.32Å; Q388-T390 PolarHBondContact O-N 3.33Å; T390-L392 PolarHBondContact O-N 2.97Å; T390-K393 WeakPolarHBondContact O-CB 3.16Å; T390-K393 PolarHBondContact O-N 3.3Å; T390-K393 VanDerWaalsContact O-N 3.16Å; T390-T394 PolarHBondContact O-N 3.47Å; T390-T394 PolarHBondContact O-OG1 3.28Å; T390-T394 VanDerWaalsContact O-OG1 3.07Å
391I92.9Very high91Very high76 Ų7660.4 Ų60.439%0.3933%0.325SS..Hα-helixtrans-56.1-49.5174.1-66.7166.5000110.5E387 Q388 K393 T394 A395 A399E387-I391 HydrophobicContact CG-CD1 4.36Å; E387-I391 WeakPolarHBondContact O-CG1 3.29Å; E387-I391 PolarHBondContact O-N 3.06Å; Q388-I391 PolarHBondContact O-N 3.42Å; I391-K393 VanDerWaalsContact C-N 3.31Å; I391-K393 PolarHBondContact O-N 2.84Å; I391-T394 PolarHBondContact O-N 2.87Å; I391-T394 PolarHBondContact O-OG1 2.9Å; I391-T394 VanDerWaalsContact O-OG1 3.14Å; I391-A395 VanDerWaalsContact O-CB 3.3Å; I391-A395 WeakPolarHBondContact O-CB 3.41Å; I391-A395 PolarHBondContact O-N 3.32Å; I391-A399 HydrophobicContact CG2-CB 4.3Å
392L93Very high90.8Very high1 Ų164.2 Ų64.21%0.00535%0.346CS..Hα-helixtrans-61.6-38.8177.6-73.4170.2000112.5V349 K352 M381 Q388 L389 T390 T394 A399 W405 L468V349-L392 HydrophobicContact CG1-CB 3.75Å; V349-L392 HydrophobicContact CG1-CD1 3.87Å; V349-L392 HydrophobicContact CG1-CG 4.45Å; V349-L392 HydrophobicContact CG2-CB 4.27Å; K352-L392 PolarHBondContact NZ-O 2.94Å; M381-L392 HydrophobicContact CG-CD1 3.9Å; Q388-L392 WeakPolarHBondContact O-CG 3.34Å; Q388-L392 PolarHBondContact O-N 3.29Å; L389-L392 PolarHBondContact O-N 2.68Å; T390-L392 PolarHBondContact O-N 2.97Å; L392-T394 VanDerWaalsContact C-N 3.34Å; L392-T394 PolarHBondContact O-N 2.81Å; L392-A399 HydrophobicContact CD2-CB 3.6Å; L392-A399 HydrophobicContact CG-CB 4.48Å; L392-W405 HydrophobicContact CD1-CH2 3.6Å; L392-W405 HydrophobicContact CD1-CZ2 3.81Å; L392-W405 HydrophobicContact CD2-CH2 4.12Å; L392-W405 HydrophobicContact CG-CH2 3.87Å; L392-L468 HydrophobicContact CD2-CB 4.36Å; L392-L468 HydrophobicContact CD2-CD1 4.18Å
393K92.4Very high90.6Very high95 Ų9568.9 Ų68.941%0.41337%0.368SS..Hα-helixtrans-64.4-39.5177.1-173.5163.4176169.60111.4L345 D348 V349 K352 L389 T390 I391L345-K393 HydrophobicContact CD1-CB 4.41Å; L345-K393 HydrophobicContact CD1-CD 3.47Å; L345-K393 VanDerWaalsContact CD1-CD 3.47Å; D348-K393 HydrophobicContact CB-CD 4.46Å; D348-K393 IonicContact OD2-NZ 2.99Å; D348-K393 PolarHBondContact OD2-NZ 3.48Å; V349-K393 HydrophobicContact CG2-CB 3.86Å; K352-K393 PolarHBondContact NZ-O 3.08Å; L389-K393 WeakPolarHBondContact O-CB 3.42Å; L389-K393 PolarHBondContact O-N 2.87Å; T390-K393 WeakPolarHBondContact O-CB 3.16Å; T390-K393 PolarHBondContact O-N 3.3Å; T390-K393 VanDerWaalsContact O-N 3.16Å; I391-K393 VanDerWaalsContact C-N 3.31Å; I391-K393 PolarHBondContact O-N 2.84Å
394T91.1Very high90.5Very high101 Ų10172.9 Ų72.962%0.6238%0.384SS*.Hα-helixtrans-87.7-25.5-177.154.90000114.9T390 I391 L392 E396T390-T394 PolarHBondContact O-N 3.47Å; T390-T394 PolarHBondContact O-OG1 3.28Å; T390-T394 VanDerWaalsContact O-OG1 3.07Å; I391-T394 PolarHBondContact O-N 2.87Å; I391-T394 PolarHBondContact O-OG1 2.9Å; I391-T394 VanDerWaalsContact O-OG1 3.14Å; L392-T394 VanDerWaalsContact C-N 3.34Å; L392-T394 PolarHBondContact O-N 2.81Å; T394-E396 PolarHBondContact O-N 2.72Å
395A87.9Confident90.4Very high24 Ų2473.1 Ų73.120%0.19839%0.385CS..  trans-63.5126.1-176.700000112.1K352 I391 A399K352-A395 PolarHBondContact NZ-O 2.9Å; I391-A395 VanDerWaalsContact O-CB 3.3Å; I391-A395 WeakPolarHBondContact O-CB 3.41Å; I391-A395 PolarHBondContact O-N 3.32Å; A395-A399 HydrophobicContact CB-CB 4.41Å
396E80.3Confident90.2Very high188 Ų18871 Ų7188%0.87937%0.373SS*.SBendtrans-75-37.9-176.7-68.9-172.6165.800113.4T394T394-E396 PolarHBondContact O-N 2.72Å
397S78.3Confident90.1Very high86 Ų8667.1 Ų67.160%0.60136%0.359SS*.SBendtrans-124.1-48-17355.80000113.2A470S397-A470 PolarHBondContact O-N 2.85Å
398S83.8Confident90.1Very high55 Ų5564.4 Ų64.439%0.38535%0.345SS..EExtended strand (participates in β ladder)trans-151.6154.3-178.665.60000113.4V467 L468S398-V467 VanDerWaalsContact CB-CG1 3.45Å; S398-L468 CarbonylContact C-O 3.57Å; S398-L468 VanDerWaalsContact CA-O 3.25Å; S398-L468 WeakPolarHBondContact CA-O 3.46Å
399A86.3Confident90.1Very high5 Ų563.5 Ų63.54%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-119.2133170.200000109.9I391 L392 A395 L468I391-A399 HydrophobicContact CG2-CB 4.3Å; L392-A399 HydrophobicContact CD2-CB 3.6Å; L392-A399 HydrophobicContact CG-CB 4.48Å; A395-A399 HydrophobicContact CB-CB 4.41Å; A399-L468 PolarHBondContact N-O 3.03Å; A399-L468 PolarHBondContact O-N 3Å
400T86Confident90.1Very high117 Ų11764.3 Ų64.372%0.71834%0.344SS*.EExtended strand (participates in β ladder)trans-70.7134.2171.247.40000110.1
401V88.7Confident90.2Very high8 Ų864.6 Ų64.65%0.04834%0.343CS..  trans-110.5111.4178.5-171.40000108.5L380 W405 Q406 S466 L468L380-V401 HydrophobicContact CD1-CG1 4.39Å; L380-V401 HydrophobicContact CD1-CG2 4.25Å; L380-V401 HydrophobicContact CD2-CG1 3.46Å; L380-V401 VanDerWaalsContact CD2-CG1 3.46Å; V401-W405 HydrophobicContact CB-CE3 4.18Å; V401-W405 HydrophobicContact CB-CZ3 4.44Å; V401-W405 HydrophobicContact CG1-CB 4.04Å; V401-W405 HydrophobicContact CG1-CD2 3.76Å; V401-W405 HydrophobicContact CG1-CE3 3.6Å; V401-W405 HydrophobicContact CG1-CG 3.99Å; V401-W405 HydrophobicContact CG1-CZ3 4.23Å; V401-W405 HydrophobicContact CG2-CE3 4.31Å; V401-W405 HydrophobicContact CG2-CZ3 4.12Å; V401-Q406 HydrophobicContact CB-CG 4.14Å; V401-Q406 HydrophobicContact CG1-CG 3.47Å; V401-Q406 VanDerWaalsContact CG1-CG 3.47Å; V401-Q406 PolarHBondContact O-NE2 3.05Å; V401-S466 PolarHBondContact N-O 3.21Å; V401-L468 HydrophobicContact CG2-CB 3.93Å; V401-L468 HydrophobicContact CG2-CD1 3.93Å; V401-L468 HydrophobicContact CG2-CG 4.27Å
402D90.2Very high90.4Very high79 Ų7962.5 Ų62.542%0.42233%0.331SS..  trans-66.1162.7176.26662.6000112.4E404 W405 Q406D402-E404 VanDerWaalsContact C-N 3.3Å; D402-E404 PolarHBondContact O-N 2.76Å; D402-E404 WeakPolarHBondContact OD1-CA 3.16Å; D402-E404 WeakPolarHBondContact OD1-CB 3.17Å; D402-E404 PolarHBondContact OD1-N 3.43Å; D402-W405 PolarHBondContact O-N 3.33Å; D402-W405 WeakPolarHBondContact OD1-CB 3.28Å; D402-W405 PolarHBondContact OD1-N 2.88Å; D402-Q406 WeakPolarHBondContact O-CG 3.46Å; D402-Q406 PolarHBondContact O-N 3.46Å
403E90.4Very high90.5Very high142 Ų14262.5 Ų62.566%0.66433%0.331SS*.Hα-helixtrans-62.8-35.4-176.1-169.9-179.2174.800112.5Q406 N407E403-Q406 PolarHBondContact O-N 2.9Å; E403-N407 WeakPolarHBondContact O-CB 3.44Å; E403-N407 PolarHBondContact O-N 2.72Å; E403-N407 PolarHBondContact O-ND2 3.15Å
404E92.7Very high90.8Very high121 Ų12158.6 Ų58.657%0.56532%0.316SS*.Hα-helixtrans-65.3-44.4179.2-169.1-168.614800110.8D402 N407 K408D402-E404 VanDerWaalsContact C-N 3.3Å; D402-E404 PolarHBondContact O-N 2.76Å; D402-E404 WeakPolarHBondContact OD1-CA 3.16Å; D402-E404 WeakPolarHBondContact OD1-CB 3.17Å; D402-E404 PolarHBondContact OD1-N 3.43Å; E404-N407 PolarHBondContact O-N 3.18Å; E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 3.11Å; E404-K408 VanDerWaalsContact OE1-CE 3.23Å; E404-K408 WeakPolarHBondContact OE1-CE 3.36Å; E404-K408 IonicContact OE1-NZ 2.76Å; E404-K408 PolarHBondContact OE1-NZ 3.15Å
405W92.9Very high91.1Very high5 Ų558.2 Ų58.22%0.01931%0.31CS..Hα-helixtrans-67.4-41.7177.9-172.712.7000111.7L380 A384 Q388 L392 V401 D402 N407 K408 A409 L468L380-W405 HydrophobicContact CB-CZ2 4.43Å; L380-W405 HydrophobicContact CD2-CG 4.41Å; L380-W405 PolarHBondContact O-NE1 2.97Å; A384-W405 HydrophobicContact CB-CZ2 3.69Å; Q388-W405 HydrophobicContact CB-CE3 4.49Å; Q388-W405 HydrophobicContact CB-CH2 4.16Å; Q388-W405 HydrophobicContact CB-CZ2 4.23Å; Q388-W405 HydrophobicContact CB-CZ3 4.29Å; Q388-W405 HydrophobicContact CG-CD2 4.27Å; Q388-W405 HydrophobicContact CG-CE3 4.13Å; Q388-W405 HydrophobicContact CG-CZ3 4.33Å; L392-W405 HydrophobicContact CD1-CH2 3.6Å; L392-W405 HydrophobicContact CD1-CZ2 3.81Å; L392-W405 HydrophobicContact CD2-CH2 4.12Å; L392-W405 HydrophobicContact CG-CH2 3.87Å; V401-W405 HydrophobicContact CB-CE3 4.18Å; V401-W405 HydrophobicContact CB-CZ3 4.44Å; V401-W405 HydrophobicContact CG1-CB 4.04Å; V401-W405 HydrophobicContact CG1-CD2 3.76Å; V401-W405 HydrophobicContact CG1-CE3 3.6Å; V401-W405 HydrophobicContact CG1-CG 3.99Å; V401-W405 HydrophobicContact CG1-CZ3 4.23Å; V401-W405 HydrophobicContact CG2-CE3 4.31Å; V401-W405 HydrophobicContact CG2-CZ3 4.12Å; D402-W405 PolarHBondContact O-N 3.33Å; D402-W405 WeakPolarHBondContact OD1-CB 3.28Å; D402-W405 PolarHBondContact OD1-N 2.88Å; W405-N407 VanDerWaalsContact C-N 3.31Å; W405-N407 PolarHBondContact O-N 3.35Å; W405-K408 PolarHBondContact O-N 2.91Å; W405-A409 PolarHBondContact O-N 3.31Å; W405-L468 HydrophobicContact CH2-CD1 4.34Å; W405-L468 HydrophobicContact CZ2-CD1 4.49Å
406Q92.1Very high91.6Very high24 Ų2461.1 Ų61.111%0.11232%0.316CS..Hα-helixtrans-58.2-44.9171.4-70.3-179.131.200111.3V401 D402 E403 K408 A409 K410V401-Q406 HydrophobicContact CB-CG 4.14Å; V401-Q406 HydrophobicContact CG1-CG 3.47Å; V401-Q406 VanDerWaalsContact CG1-CG 3.47Å; V401-Q406 PolarHBondContact O-NE2 3.05Å; D402-Q406 WeakPolarHBondContact O-CG 3.46Å; D402-Q406 PolarHBondContact O-N 3.46Å; E403-Q406 PolarHBondContact O-N 2.9Å; Q406-K408 PolarHBondContact O-N 2.87Å; Q406-A409 PolarHBondContact O-N 2.79Å; Q406-K410 VanDerWaalsContact O-CG 3.29Å; Q406-K410 WeakPolarHBondContact O-CG 3.41Å; Q406-K410 PolarHBondContact O-N 2.93Å
407N93.4Very high92.4Very high57 Ų5752.1 Ų52.131%0.30527%0.274SS..Hα-helixtrans-64.3-41179.8-73.7-24.3000111.9E403 E404 W405 A409 K410 D411E403-N407 WeakPolarHBondContact O-CB 3.44Å; E403-N407 PolarHBondContact O-N 2.72Å; E403-N407 PolarHBondContact O-ND2 3.15Å; E404-N407 PolarHBondContact O-N 3.18Å; W405-N407 VanDerWaalsContact C-N 3.31Å; W405-N407 PolarHBondContact O-N 3.35Å; N407-A409 VanDerWaalsContact C-N 3.33Å; N407-A409 PolarHBondContact O-N 3.4Å; N407-K410 WeakPolarHBondContact O-CB 3.18Å; N407-K410 PolarHBondContact O-N 3.07Å; N407-D411 WeakPolarHBondContact O-CB 3.07Å; N407-D411 PolarHBondContact O-N 3.41Å; N407-D411 VanDerWaalsContact O-OD2 3.14Å
408K95Very high93.4Very high84 Ų8451.6 Ų51.637%0.36526%0.263SS..Hα-helixtrans-58.3-42.6172.2-74.6173.8-175164.50112.4V383 E404 W405 Q406 D411 F412V383-K408 HydrophobicContact CB-CB 4.43Å; V383-K408 HydrophobicContact CG2-CB 4.01Å; E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 3.11Å; E404-K408 VanDerWaalsContact OE1-CE 3.23Å; E404-K408 WeakPolarHBondContact OE1-CE 3.36Å; E404-K408 IonicContact OE1-NZ 2.76Å; E404-K408 PolarHBondContact OE1-NZ 3.15Å; W405-K408 PolarHBondContact O-N 2.91Å; Q406-K408 PolarHBondContact O-N 2.87Å; K408-D411 PolarHBondContact O-N 2.94Å; K408-F412 WeakPolarHBondContact O-CB 3.33Å; K408-F412 PolarHBondContact O-N 2.97Å
409A94.6Very high94Very high0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-68.5-41177.500000112F376 L380 V383 W405 Q406 N407 F412 L413F376-A409 HydrophobicContact CE2-CB 3.9Å; F376-A409 HydrophobicContact CZ-CB 4.16Å; L380-A409 HydrophobicContact CB-CB 4.47Å; L380-A409 HydrophobicContact CD2-CB 3.61Å; L380-A409 HydrophobicContact CG-CB 3.92Å; V383-A409 HydrophobicContact CG2-CB 3.99Å; W405-A409 PolarHBondContact O-N 3.31Å; Q406-A409 PolarHBondContact O-N 2.79Å; N407-A409 VanDerWaalsContact C-N 3.33Å; N407-A409 PolarHBondContact O-N 3.4Å; A409-F412 PolarHBondContact O-N 3.07Å; A409-L413 WeakPolarHBondContact O-CB 3.48Å; A409-L413 PolarHBondContact O-N 3.25Å
410K95.2Very high94.6Very high16 Ų1656.2 Ų56.27%0.0728%0.281CS..Hα-helixtrans-60.4-44.4173.1-70.3172.7-179165.90111.2F376 Q406 N407 S414 V458 K459F376-K410 HydrophobicContact CE2-CG 3.65Å; F376-K410 HydrophobicContact CZ-CG 4.13Å; Q406-K410 VanDerWaalsContact O-CG 3.29Å; Q406-K410 WeakPolarHBondContact O-CG 3.41Å; Q406-K410 PolarHBondContact O-N 2.93Å; N407-K410 WeakPolarHBondContact O-CB 3.18Å; N407-K410 PolarHBondContact O-N 3.07Å; K410-S414 WeakPolarHBondContact O-CB 3.47Å; K410-S414 PolarHBondContact O-N 2.87Å; K410-V458 HydrophobicContact CB-CG1 3.99Å; K410-V458 HydrophobicContact CG-CG1 4.21Å; K410-V458 WeakPolarHBondContact O-CG1 3.14Å; K410-K459 HydrophobicContact CB-CD 4.12Å
411D96.6Very high95.2Very high73 Ų7350.6 Ų50.639%0.3925%0.247SC..Hα-helixtrans-60.2-50.4175.6-80.2-42.8000111.1N407 K408 L413 N415 K459N407-D411 WeakPolarHBondContact O-CB 3.07Å; N407-D411 PolarHBondContact O-N 3.41Å; N407-D411 VanDerWaalsContact O-OD2 3.14Å; K408-D411 PolarHBondContact O-N 2.94Å; D411-L413 PolarHBondContact O-N 2.73Å; D411-N415 WeakPolarHBondContact O-CB 3.34Å; D411-N415 PolarHBondContact O-N 3.21Å; D411-N415 PolarHBondContact O-ND2 2.97Å; D411-N415 VanDerWaalsContact O-ND2 3.11Å; D411-K459 VanDerWaalsContact CA-NZ 3.3Å; D411-K459 VanDerWaalsContact N-NZ 3.17Å; D411-K459 IonicContact OD1-NZ 2.65Å; D411-K459 PolarHBondContact OD1-NZ 2.94Å; D411-K459 IonicContact OD2-NZ 2.72Å
412F96.6Very high95.6Very high32 Ų3255.1 Ų55.114%0.1427%0.267CS..Hα-helixtrans-55.7-53.4178164.6-100.8000111.9F382 V383 K408 A409 R416F382-F412 HydrophobicContact CD1-CD1 4.15Å; F382-F412 AromaticContact CD1-CD2 3.76Å; F382-F412 HydrophobicContact CD1-CD2 3.76Å; F382-F412 AromaticContact CD1-CE1 3.91Å; F382-F412 HydrophobicContact CD1-CE1 3.91Å; F382-F412 AromaticContact CD1-CE2 3.5Å; F382-F412 HydrophobicContact CD1-CE2 3.5Å; F382-F412 VanDerWaalsContact CD1-CE2 3.5Å; F382-F412 HydrophobicContact CD1-CG 4.07Å; F382-F412 AromaticContact CD1-CZ 3.57Å; F382-F412 HydrophobicContact CD1-CZ 3.57Å; F382-F412 HydrophobicContact CD2-CZ 4.3Å; F382-F412 AromaticContact CE1-CD2 3.53Å; F382-F412 HydrophobicContact CE1-CD2 3.53Å; F382-F412 HydrophobicContact CE1-CE1 4.36Å; F382-F412 AromaticContact CE1-CE2 3.11Å; F382-F412 HydrophobicContact CE1-CE2 3.11Å; F382-F412 HydrophobicContact CE1-CG 4.3Å; F382-F412 AromaticContact CE1-CZ 3.59Å; F382-F412 HydrophobicContact CE1-CZ 3.59Å; F382-F412 HydrophobicContact CE2-CE2 4.39Å; F382-F412 HydrophobicContact CE2-CZ 4.26Å; F382-F412 HydrophobicContact CG-CE1 4.2Å; F382-F412 HydrophobicContact CG-CE2 4.32Å; F382-F412 AromaticContact CG-CZ 3.97Å; F382-F412 HydrophobicContact CG-CZ 3.97Å; F382-F412 HydrophobicContact CZ-CD2 4.44Å; F382-F412 AromaticContact CZ-CE2 3.63Å; F382-F412 HydrophobicContact CZ-CE2 3.63Å; F382-F412 AromaticContact CZ-CZ 3.95Å; F382-F412 HydrophobicContact CZ-CZ 3.95Å; V383-F412 HydrophobicContact CG1-CB 3.54Å; V383-F412 HydrophobicContact CG1-CD1 4.38Å; V383-F412 HydrophobicContact CG1-CD2 4.48Å; V383-F412 HydrophobicContact CG1-CG 3.88Å; K408-F412 WeakPolarHBondContact O-CB 3.33Å; K408-F412 PolarHBondContact O-N 2.97Å; A409-F412 PolarHBondContact O-N 3.07Å; F412-R416 VanDerWaalsContact O-CB 3.27Å; F412-R416 WeakPolarHBondContact O-CB 3.26Å; F412-R416 PolarHBondContact O-N 3.14Å
413L96.5Very high95.9Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-68.2-45.3-174.9-177.659000111.1L334 A409 D411 R416 L417 V458L334-L413 HydrophobicContact CD1-CD1 3.94Å; A409-L413 WeakPolarHBondContact O-CB 3.48Å; A409-L413 PolarHBondContact O-N 3.25Å; D411-L413 PolarHBondContact O-N 2.73Å; L413-R416 PolarHBondContact O-N 3.5Å; L413-L417 HydrophobicContact CD1-CD1 4.34Å; L413-L417 HydrophobicContact CD1-CG 4.43Å; L413-L417 HydrophobicContact CG-CD1 4.17Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.37Å; L413-L417 PolarHBondContact O-N 3.46Å; L413-V458 HydrophobicContact CB-CG1 4.15Å; L413-V458 HydrophobicContact CD2-CG1 4.22Å; L413-V458 HydrophobicContact CD2-CG2 3.65Å; L413-V458 HydrophobicContact CG-CG1 4.35Å; L413-V458 HydrophobicContact CG-CG2 3.88Å
414S97.3Very high96.3Very high13 Ų1346.1 Ų46.19%0.09123%0.229CC..Hα-helixtrans-60.7-47.5177.1-172.60000111.7K410 R416 L417 M418 A455K410-S414 WeakPolarHBondContact O-CB 3.47Å; K410-S414 PolarHBondContact O-N 2.87Å; S414-R416 VanDerWaalsContact C-N 3.34Å; S414-R416 PolarHBondContact O-N 3.33Å; S414-L417 PolarHBondContact O-N 2.85Å; S414-M418 WeakPolarHBondContact O-CG 3.47Å; S414-M418 PolarHBondContact O-N 3.35Å; S414-A455 PolarHBondContact OG-O 2.8Å
415N98.1Very high96.4Very high93 Ų9344.2 Ų44.250%0.49722%0.216SC..Hα-helixtrans-63.8-39.3177.6-70.4-25.1000111.8D411 L417 M418 L419D411-N415 WeakPolarHBondContact O-CB 3.34Å; D411-N415 PolarHBondContact O-N 3.21Å; D411-N415 PolarHBondContact O-ND2 2.97Å; D411-N415 VanDerWaalsContact O-ND2 3.11Å; N415-L417 PolarHBondContact O-N 2.8Å; N415-M418 PolarHBondContact O-N 3.38Å; N415-L419 WeakPolarHBondContact O-CB 3.22Å; N415-L419 VanDerWaalsContact O-CG 3.29Å; N415-L419 WeakPolarHBondContact O-CG 3.24Å; N415-L419 PolarHBondContact O-N 3.3Å
416R97.7Very high96.5Very high85 Ų8546.3 Ų46.332%0.32123%0.229SC..Hα-helixtrans-61.6-44.4176.6179.756.664107.52.4111.7L334 F412 L413 S414 L419 M420L334-R416 HydrophobicContact CD2-CG 3.83Å; F412-R416 VanDerWaalsContact O-CB 3.27Å; F412-R416 WeakPolarHBondContact O-CB 3.26Å; F412-R416 PolarHBondContact O-N 3.14Å; L413-R416 PolarHBondContact O-N 3.5Å; S414-R416 VanDerWaalsContact C-N 3.34Å; S414-R416 PolarHBondContact O-N 3.33Å; R416-L419 PolarHBondContact O-N 3.27Å; R416-M420 HydrophobicContact CG-CE 4.02Å; R416-M420 HydrophobicContact CG-SD 4.42Å; R416-M420 WeakPolarHBondContact O-CG 3.34Å; R416-M420 PolarHBondContact O-N 3.48Å
417L98.2Very high96.5Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-63.5-43.4176.9-69.3167.7000111.5I332 L363 I371 L413 S414 N415 L419 M420 A421 Y451 A455 V458I332-L417 HydrophobicContact CD1-CD2 4.02Å; L363-L417 HydrophobicContact CD1-CD2 3.55Å; L363-L417 HydrophobicContact CD2-CD2 4.3Å; I371-L417 HydrophobicContact CD1-CD1 4.43Å; L413-L417 HydrophobicContact CD1-CD1 4.34Å; L413-L417 HydrophobicContact CD1-CG 4.43Å; L413-L417 HydrophobicContact CG-CD1 4.17Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.37Å; L413-L417 PolarHBondContact O-N 3.46Å; S414-L417 PolarHBondContact O-N 2.85Å; N415-L417 PolarHBondContact O-N 2.8Å; L417-L419 VanDerWaalsContact C-N 3.33Å; L417-L419 PolarHBondContact O-N 2.99Å; L417-M420 HydrophobicContact CD2-SD 4.49Å; L417-M420 WeakPolarHBondContact O-CB 3.34Å; L417-M420 PolarHBondContact O-N 3.08Å; L417-A421 PolarHBondContact O-N 3.44Å; L417-Y451 HydrophobicContact CD2-CD1 3.98Å; L417-A455 HydrophobicContact CB-CB 3.87Å; L417-A455 HydrophobicContact CD1-CB 4.39Å; L417-V458 HydrophobicContact CD1-CG2 4.1Å
418M98.4Very high96.5Very high74 Ų7443.7 Ų43.737%0.36522%0.216SC..Hα-helixtrans-63-37.5175.5-69.6-56.4-60.900112.6S414 N415 A421 Q422 E452 A455S414-M418 WeakPolarHBondContact O-CG 3.47Å; S414-M418 PolarHBondContact O-N 3.35Å; N415-M418 PolarHBondContact O-N 3.38Å; M418-A421 PolarHBondContact O-N 3.21Å; M418-Q422 WeakPolarHBondContact O-CB 3.48Å; M418-Q422 PolarHBondContact O-N 2.77Å; M418-E452 HydrophobicContact CE-CG 4.28Å; M418-E452 HydrophobicContact SD-CB 4.44Å; M418-E452 HydrophobicContact SD-CG 4.09Å; M418-A455 HydrophobicContact CG-CB 3.75Å; M418-A455 HydrophobicContact SD-CB 3.67Å
419L98Very high96.4Very high117 Ų11746.7 Ų46.761%0.61324%0.235SC*.Hα-helixtrans-64.1-40.5173.7-73.5169.6000111.9N415 R416 L417 Q422 A423N415-L419 WeakPolarHBondContact O-CB 3.22Å; N415-L419 VanDerWaalsContact O-CG 3.29Å; N415-L419 WeakPolarHBondContact O-CG 3.24Å; N415-L419 PolarHBondContact O-N 3.3Å; R416-L419 PolarHBondContact O-N 3.27Å; L417-L419 VanDerWaalsContact C-N 3.33Å; L417-L419 PolarHBondContact O-N 2.99Å; L419-Q422 PolarHBondContact O-N 3.38Å; L419-A423 WeakPolarHBondContact O-CB 3.31Å; L419-A423 PolarHBondContact O-N 2.92Å
420M97.9Very high96.3Very high40 Ų4053.1 Ų53.120%0.19726%0.263CS..Hα-helixtrans-62.7-45.6174.5-69.7169.2167.800111.4I332 R416 L417 Q422 A423 C424 Y451I332-M420 HydrophobicContact CB-CE 4.27Å; I332-M420 HydrophobicContact CB-SD 4.37Å; I332-M420 HydrophobicContact CG2-CE 4.48Å; I332-M420 HydrophobicContact CG2-SD 3.97Å; R416-M420 HydrophobicContact CG-CE 4.02Å; R416-M420 HydrophobicContact CG-SD 4.42Å; R416-M420 WeakPolarHBondContact O-CG 3.34Å; R416-M420 PolarHBondContact O-N 3.48Å; L417-M420 HydrophobicContact CD2-SD 4.49Å; L417-M420 WeakPolarHBondContact O-CB 3.34Å; L417-M420 PolarHBondContact O-N 3.08Å; M420-Q422 VanDerWaalsContact C-N 3.35Å; M420-Q422 PolarHBondContact O-N 3.41Å; M420-A423 PolarHBondContact O-N 3.13Å; M420-C424 PolarHBondContact O-N 2.94Å; M420-C424 PolarHBondContact O-SG 3.2Å; M420-Y451 HydrophobicContact CB-CD1 4.49Å; M420-Y451 HydrophobicContact CB-CD2 3.93Å; M420-Y451 HydrophobicContact CB-CE2 3.93Å; M420-Y451 HydrophobicContact CB-CG 4.22Å; M420-Y451 HydrophobicContact SD-CE1 4.31Å
421A98.3Very high96.1Very high0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-57.7-46.9175.200000111.7L417 M418 A423 C424 R425 V448 Y451 E452L417-A421 PolarHBondContact O-N 3.44Å; M418-A421 PolarHBondContact O-N 3.21Å; A421-A423 PolarHBondContact O-N 2.62Å; A421-C424 PolarHBondContact O-N 3.01Å; A421-R425 WeakPolarHBondContact O-CG 3.14Å; A421-R425 PolarHBondContact O-N 2.78Å; A421-V448 HydrophobicContact CB-CG1 4.39Å; A421-Y451 HydrophobicContact CB-CD2 4.45Å; A421-E452 HydrophobicContact CB-CG 3.9Å
422Q98.1Very high95.7Very high102 Ų10251.5 Ų51.548%0.47726%0.259SS..Hα-helixtrans-64.6-38.9179.3-174.458.429.800112.5M418 L419 M420 T426M418-Q422 WeakPolarHBondContact O-CB 3.48Å; M418-Q422 PolarHBondContact O-N 2.77Å; L419-Q422 PolarHBondContact O-N 3.38Å; M420-Q422 VanDerWaalsContact C-N 3.35Å; M420-Q422 PolarHBondContact O-N 3.41Å; Q422-T426 PolarHBondContact NE2-OG1 3.3Å; Q422-T426 WeakPolarHBondContact O-CB 3.44Å; Q422-T426 PolarHBondContact O-N 2.96Å; Q422-T426 PolarHBondContact O-OG1 3.44Å
423A97Very high95.1Very high33 Ų3357.8 Ų57.827%0.27328%0.282SS..Hα-helixtrans-64.2-44.3176.800000111.6H184 L419 M420 A421 T426 G427H184-A423 HydrophobicContact CB-CB 3.95Å; L419-A423 WeakPolarHBondContact O-CB 3.31Å; L419-A423 PolarHBondContact O-N 2.92Å; M420-A423 PolarHBondContact O-N 3.13Å; A421-A423 PolarHBondContact O-N 2.62Å; A423-T426 PolarHBondContact O-N 2.75Å; A423-G427 PolarHBondContact O-N 3.27Å
424C97.1Very high94.8Very high0 Ų065.2 Ų65.20%032%0.317CS..Hα-helixtrans-60.2-49.4175.7-66.60000111.6H184 T185 M420 A421 T426 G427 I428 V444 V448H184-C424 PolarHBondContact O-SG 3.39Å; T185-C424 HydrophobicContact CG2-CB 4.45Å; M420-C424 PolarHBondContact O-N 2.94Å; M420-C424 PolarHBondContact O-SG 3.2Å; A421-C424 PolarHBondContact O-N 3.01Å; C424-T426 VanDerWaalsContact C-N 3.34Å; C424-T426 PolarHBondContact O-N 3.44Å; C424-G427 PolarHBondContact O-N 3.42Å; C424-G427 VanDerWaalsContact O-N 3.13Å; C424-I428 PolarHBondContact O-N 2.83Å; C424-I428 VanDerWaalsContact O-N 3.1Å; C424-V444 HydrophobicContact CB-CG1 4.34Å; C424-V448 HydrophobicContact CB-CG2 3.5Å; C424-V448 VanDerWaalsContact CB-CG2 3.5Å
425R96.3Very high94.5Very high80 Ų8069.8 Ų69.830%0.30234%0.337SS..Hα-helixtrans-55.1-48.1175.2-78.3175.2173.1151.23.9112.8A421 G427 I428 L429 V448 E452A421-R425 WeakPolarHBondContact O-CG 3.14Å; A421-R425 PolarHBondContact O-N 2.78Å; R425-G427 VanDerWaalsContact C-N 3.25Å; R425-G427 PolarHBondContact O-N 3.06Å; R425-I428 VanDerWaalsContact O-CG2 3.29Å; R425-I428 WeakPolarHBondContact O-CG2 3.36Å; R425-I428 PolarHBondContact O-N 3.14Å; R425-L429 WeakPolarHBondContact O-CB 3.48Å; R425-L429 VanDerWaalsContact O-CG 3.24Å; R425-L429 WeakPolarHBondContact O-CG 3.26Å; R425-L429 PolarHBondContact O-N 3.1Å; R425-V448 HydrophobicContact CG-CG1 3.85Å; R425-V448 HydrophobicContact CG-CG2 3.96Å; R425-E452 IonicContact CZ-OE1 3.82Å; R425-E452 IonicContact CZ-OE2 3.75Å; R425-E452 IonicContact NH1-OE1 3.79Å; R425-E452 PolarHBondContact NH1-OE1 3.38Å; R425-E452 IonicContact NH2-OE1 3.51Å; R425-E452 PolarHBondContact NH2-OE1 3.01Å; R425-E452 IonicContact NH2-OE2 2.89Å; R425-E452 PolarHBondContact NH2-OE2 3.46Å
426T94.6Very high94.3Very high49 Ų4965.6 Ų65.630%0.30131%0.314SS..Hα-helixtrans-66.7-32.9-178.5-54.30000110.9Q422 A423 C424 K430Q422-T426 PolarHBondContact NE2-OG1 3.3Å; Q422-T426 WeakPolarHBondContact O-CB 3.44Å; Q422-T426 PolarHBondContact O-N 2.96Å; Q422-T426 PolarHBondContact O-OG1 3.44Å; A423-T426 PolarHBondContact O-N 2.75Å; C424-T426 VanDerWaalsContact C-N 3.34Å; C424-T426 PolarHBondContact O-N 3.44Å; T426-K430 WeakPolarHBondContact O-CG 3.27Å; T426-K430 PolarHBondContact O-N 2.88Å
427G91.7Very high94.2Very high1 Ų164.7 Ų64.71%0.0131%0.311CS..Hα-helixtrans-61.8-55.3174.800000112.3A423 C424 R425 L429 K430A423-G427 PolarHBondContact O-N 3.27Å; C424-G427 PolarHBondContact O-N 3.42Å; C424-G427 VanDerWaalsContact O-N 3.13Å; R425-G427 VanDerWaalsContact C-N 3.25Å; R425-G427 PolarHBondContact O-N 3.06Å; G427-L429 VanDerWaalsContact C-N 3.33Å; G427-L429 PolarHBondContact O-N 2.99Å; G427-K430 WeakPolarHBondContact O-CB 3.49Å; G427-K430 PolarHBondContact O-N 3.44Å; G427-K430 VanDerWaalsContact O-N 3.15Å
428I93.5Very high93.9Very high26 Ų2669.3 Ų69.313%0.13334%0.341CS..Hα-helixtrans-65.9-33.3-179.6-168.8163.7000113.1A181 C424 R425 K430 A431 Q441 V444A181-I428 HydrophobicContact CB-CB 4.23Å; A181-I428 HydrophobicContact CB-CG1 4.01Å; C424-I428 PolarHBondContact O-N 2.83Å; C424-I428 VanDerWaalsContact O-N 3.1Å; R425-I428 VanDerWaalsContact O-CG2 3.29Å; R425-I428 WeakPolarHBondContact O-CG2 3.36Å; R425-I428 PolarHBondContact O-N 3.14Å; I428-K430 PolarHBondContact O-N 3.41Å; I428-A431 WeakPolarHBondContact O-CB 3.47Å; I428-A431 PolarHBondContact O-N 3.45Å; I428-Q441 HydrophobicContact CD1-CB 4.28Å; I428-Q441 HydrophobicContact CD1-CG 4.29Å; I428-V444 HydrophobicContact CB-CG1 4.09Å; I428-V444 HydrophobicContact CD1-CB 3.88Å; I428-V444 HydrophobicContact CD1-CG1 4.12Å; I428-V444 HydrophobicContact CD1-CG2 4.03Å; I428-V444 HydrophobicContact CG2-CG1 3.97Å
429L93.5Very high93.5Very high146 Ų14668.2 Ų68.276%0.76433%0.334SS*.Hα-helixtrans-66.9-20.8175.5-73.5173000113.8R425 G427 A431R425-L429 WeakPolarHBondContact O-CB 3.48Å; R425-L429 VanDerWaalsContact O-CG 3.24Å; R425-L429 WeakPolarHBondContact O-CG 3.26Å; R425-L429 PolarHBondContact O-N 3.1Å; G427-L429 VanDerWaalsContact C-N 3.33Å; G427-L429 PolarHBondContact O-N 2.99Å; L429-A431 VanDerWaalsContact C-N 3.33Å
430K92.7Very high93.4Very high135 Ų13562.6 Ų62.659%0.58731%0.305SS*.THydrogen-bonded Turntrans-81.4-15.9173.5-71.1171.7177.81790112.6L180 T426 G427 I428L180-K430 HydrophobicContact CD2-CB 3.87Å; L180-K430 WeakPolarHBondContact CD2-O 3.49Å; L180-K430 HydrophobicContact CG-CB 4.25Å; T426-K430 WeakPolarHBondContact O-CG 3.27Å; T426-K430 PolarHBondContact O-N 2.88Å; G427-K430 WeakPolarHBondContact O-CB 3.49Å; G427-K430 PolarHBondContact O-N 3.44Å; G427-K430 VanDerWaalsContact O-N 3.15Å; I428-K430 PolarHBondContact O-N 3.41Å
431A90.3Very high93.2Very high7 Ų762.1 Ų62.16%0.05830%0.302CS..SBendtrans-88.5136.8176.200000110.2A177 A181 I428 L429 R433 V436A177-A431 HydrophobicContact CB-CB 4.28Å; A177-A431 WeakPolarHBondContact O-CB 3.4Å; A181-A431 HydrophobicContact CB-CB 4.03Å; I428-A431 WeakPolarHBondContact O-CB 3.47Å; I428-A431 PolarHBondContact O-N 3.45Å; L429-A431 VanDerWaalsContact C-N 3.33Å; A431-R433 PolarHBondContact O-N 3.38Å; A431-R433 VanDerWaalsContact O-N 3.07Å; A431-V436 HydrophobicContact CB-CG2 3.7Å
432P88.6Confident93Very high49 Ų4965.4 Ų65.432%0.31832%0.322SS..  trans-60114170.5-18.429.9000109.4E434 Q435 V436P432-E434 WeakPolarHBondContact CB-OE1 3.24Å; P432-E434 PolarHBondContact O-N 3.41Å; P432-Q435 HydrophobicContact CB-CB 4.24Å; P432-Q435 HydrophobicContact CB-CG 3.94Å; P432-Q435 WeakPolarHBondContact O-CB 3.47Å; P432-Q435 PolarHBondContact O-N 3.22Å; P432-V436 PolarHBondContact O-N 3.1Å
433R82.7Confident92.9Very high163 Ų16360.6 Ų60.662%0.61530%0.3SS*.G310 helixtrans-60.4-35.2-167.9-171.2175.3-176.2161.54.8112.2A431 Q435 V436 Q441A431-R433 PolarHBondContact O-N 3.38Å; A431-R433 VanDerWaalsContact O-N 3.07Å; R433-Q435 PolarHBondContact O-N 2.91Å; R433-V436 PolarHBondContact O-N 3.15Å; R433-Q441 PolarHBondContact O-NE2 3.04Å
434E90.5Very high92.8Very high156 Ų15659 Ų5973%0.72929%0.287SS*.G310 helixtrans-67-17.9176.168.3-75.6176.300114.1P432P432-E434 WeakPolarHBondContact CB-OE1 3.24Å; P432-E434 PolarHBondContact O-N 3.41Å
435Q91.7Very high92.7Very high110 Ų11063.1 Ų63.151%0.51431%0.309SS..G310 helixtrans-96.3-6.1176.7-60.3-178.526.300113.2S175 A177 P432 R433S175-Q435 PolarHBondContact OG-O 3.43Å; A177-Q435 HydrophobicContact CB-CB 3.76Å; P432-Q435 HydrophobicContact CB-CB 4.24Å; P432-Q435 HydrophobicContact CB-CG 3.94Å; P432-Q435 WeakPolarHBondContact O-CB 3.47Å; P432-Q435 PolarHBondContact O-N 3.22Å; R433-Q435 PolarHBondContact O-N 2.91Å
436V94.3Very high92.7Very high4 Ų460 Ų602%0.02430%0.298CS..SBendtrans-99.2120177.7-178.30000108.6A177 E178 A181 A431 P432 R433 I440 Q441A177-V436 HydrophobicContact CB-CG2 4.18Å; E178-V436 HydrophobicContact CG-CB 4.43Å; E178-V436 HydrophobicContact CG-CG1 4.24Å; A181-V436 HydrophobicContact CB-CG1 4.22Å; A181-V436 HydrophobicContact CB-CG2 4.13Å; A431-V436 HydrophobicContact CB-CG2 3.7Å; P432-V436 PolarHBondContact O-N 3.1Å; R433-V436 PolarHBondContact O-N 3.15Å; V436-I440 HydrophobicContact CG1-CB 3.9Å; V436-I440 HydrophobicContact CG1-CG2 3.77Å; V436-Q441 HydrophobicContact CB-CG 4.13Å; V436-Q441 HydrophobicContact CG1-CG 3.7Å; V436-Q441 PolarHBondContact O-NE2 2.78Å
437R93.7Very high92.7Very high67 Ų6757.8 Ų57.825%0.25328%0.284SS..  trans-59.1145.3-179.9-76.4175.3-66.2-179.8-11.3112E168 S173 E178 F439 I440 Q441E168-R437 PolarHBondContact O-NH1 2.94Å; S173-R437 PolarHBondContact O-NH2 3.37Å; E178-R437 WeakPolarHBondContact OE1-CB 3.34Å; E178-R437 WeakPolarHBondContact OE1-CG 3.48Å; E178-R437 IonicContact OE1-CZ 3.39Å; E178-R437 PolarHBondContact OE1-N 3.33Å; E178-R437 IonicContact OE1-NE 3.44Å; E178-R437 PolarHBondContact OE1-NE 2.85Å; E178-R437 IonicContact OE1-NH2 3.74Å; E178-R437 IonicContact OE2-CZ 3.47Å; E178-R437 IonicContact OE2-NE 2.82Å; E178-R437 IonicContact OE2-NH2 3.33Å; E178-R437 PolarHBondContact OE2-NH2 3.24Å; R437-F439 VanDerWaalsContact C-N 3.29Å; R437-F439 HydrophobicContact CB-CD1 3.89Å; R437-F439 HydrophobicContact CB-CE1 3.61Å; R437-F439 HydrophobicContact CB-CZ 4.33Å; R437-F439 HydrophobicContact CG-CE1 4.25Å; R437-F439 PolarHBondContact O-N 2.57Å; R437-F439 VanDerWaalsContact O-N 3.16Å; R437-I440 PolarHBondContact O-N 3.08Å; R437-Q441 PolarHBondContact O-N 3.05Å
438P92.4Very high93Very high97 Ų9758.1 Ų58.163%0.6329%0.286SS*.Hα-helixtrans-53.4-39.9-174.8-29.835.6000114.7I440 Q441 T442P438-I440 VanDerWaalsContact C-N 3.3Å; P438-I440 PolarHBondContact O-N 3.22Å; P438-Q441 WeakPolarHBondContact O-CB 3.43Å; P438-Q441 PolarHBondContact O-N 3.13Å; P438-T442 PolarHBondContact O-N 2.88Å; P438-T442 PolarHBondContact O-OG1 2.97Å; P438-T442 VanDerWaalsContact O-OG1 3.1Å
439F91.2Very high93.1Very high50 Ų5061 Ų6122%0.21930%0.298CS..Hα-helixtrans-66.2-31.5-179.869.9-93.5000112.9L315 V321 R437 F443L315-F439 HydrophobicContact CD1-CD2 3.81Å; L315-F439 HydrophobicContact CD1-CE2 3.48Å; L315-F439 VanDerWaalsContact CD1-CE2 3.48Å; V321-F439 HydrophobicContact CG2-CB 4.49Å; V321-F439 HydrophobicContact CG2-CD2 4.11Å; R437-F439 VanDerWaalsContact C-N 3.29Å; R437-F439 HydrophobicContact CB-CD1 3.89Å; R437-F439 HydrophobicContact CB-CE1 3.61Å; R437-F439 HydrophobicContact CB-CZ 4.33Å; R437-F439 HydrophobicContact CG-CE1 4.25Å; R437-F439 PolarHBondContact O-N 2.57Å; R437-F439 VanDerWaalsContact O-N 3.16Å; F439-F443 WeakPolarHBondContact O-CB 3.43Å; F439-F443 PolarHBondContact O-N 3.01Å
440I94.7Very high93.3Very high0 Ų054.1 Ų54.10%026%0.261CS..Hα-helixtrans-70.8-40.1174.3-62.6-176.2000110F174 E178 I182 L315 V436 R437 P438 F443 V444F174-I440 HydrophobicContact CD1-CD1 4.17Å; F174-I440 HydrophobicContact CD2-CD1 4.42Å; F174-I440 HydrophobicContact CE1-CD1 3.95Å; F174-I440 HydrophobicContact CE2-CD1 4.23Å; F174-I440 HydrophobicContact CG-CD1 4.4Å; F174-I440 HydrophobicContact CZ-CD1 3.99Å; E178-I440 HydrophobicContact CB-CD1 3.79Å; E178-I440 VanDerWaalsContact CD-CD1 3.48Å; E178-I440 HydrophobicContact CG-CD1 3.69Å; I182-I440 HydrophobicContact CG2-CG2 3.68Å; L315-I440 HydrophobicContact CD1-CG1 4.48Å; V436-I440 HydrophobicContact CG1-CB 3.9Å; V436-I440 HydrophobicContact CG1-CG2 3.77Å; R437-I440 PolarHBondContact O-N 3.08Å; P438-I440 VanDerWaalsContact C-N 3.3Å; P438-I440 PolarHBondContact O-N 3.22Å; I440-F443 WeakPolarHBondContact O-CB 3.36Å; I440-F443 PolarHBondContact O-N 2.72Å; I440-V444 WeakPolarHBondContact O-CG2 3.38Å; I440-V444 PolarHBondContact O-N 3.37Å
441Q94.6Very high93.5Very high30 Ų3048.1 Ų48.114%0.1424%0.235CC..Hα-helixtrans-58.9-49.5173.6-56.3-176.833.700110.6I428 R433 V436 R437 P438 F443 V444 D445I428-Q441 HydrophobicContact CD1-CB 4.28Å; I428-Q441 HydrophobicContact CD1-CG 4.29Å; R433-Q441 PolarHBondContact O-NE2 3.04Å; V436-Q441 HydrophobicContact CB-CG 4.13Å; V436-Q441 HydrophobicContact CG1-CG 3.7Å; V436-Q441 PolarHBondContact O-NE2 2.78Å; R437-Q441 PolarHBondContact O-N 3.05Å; P438-Q441 WeakPolarHBondContact O-CB 3.43Å; P438-Q441 PolarHBondContact O-N 3.13Å; Q441-F443 VanDerWaalsContact C-N 3.3Å; Q441-F443 PolarHBondContact O-N 3.17Å; Q441-V444 PolarHBondContact O-N 3.32Å; Q441-V444 VanDerWaalsContact O-N 3.17Å; Q441-D445 PolarHBondContact O-N 3.42Å
442T93.3Very high93.9Very high68 Ų6849.9 Ų49.942%0.41724%0.242SC..Hα-helixtrans-56.3-43.8176.2-590000111.8P438 V444 D445 M446P438-T442 PolarHBondContact O-N 2.88Å; P438-T442 PolarHBondContact O-OG1 2.97Å; P438-T442 VanDerWaalsContact O-OG1 3.1Å; T442-V444 PolarHBondContact O-N 2.78Å; T442-D445 PolarHBondContact O-N 3.12Å; T442-M446 HydrophobicContact CG2-CG 4.27Å; T442-M446 HydrophobicContact CG2-SD 3.86Å; T442-M446 WeakPolarHBondContact O-CB 3.43Å; T442-M446 WeakPolarHBondContact O-CG 3.49Å; T442-M446 PolarHBondContact O-N 2.99Å
443F95.6Very high94.3Very high1 Ų149.9 Ų49.90%0.00424%0.238CC..Hα-helixtrans-57.7-49.7176168.3-100000112.5T185 C187 N311 L315 V321 F439 I440 Q441 D445 M446 E447T185-F443 HydrophobicContact CG2-CE1 4.07Å; C187-F443 HydrophobicContact CB-CE1 3.5Å; C187-F443 HydrophobicContact CB-CE2 4.5Å; C187-F443 HydrophobicContact CB-CZ 3.47Å; C187-F443 VanDerWaalsContact CB-CZ 3.47Å; N311-F443 HydrophobicContact CB-CD2 3.89Å; N311-F443 HydrophobicContact CB-CE2 3.97Å; L315-F443 HydrophobicContact CD2-CB 4.18Å; L315-F443 HydrophobicContact CD2-CD1 3.68Å; L315-F443 HydrophobicContact CD2-CD2 4.05Å; L315-F443 HydrophobicContact CD2-CE1 4.08Å; L315-F443 HydrophobicContact CD2-CE2 4.43Å; L315-F443 HydrophobicContact CD2-CG 3.67Å; L315-F443 HydrophobicContact CD2-CZ 4.45Å; V321-F443 HydrophobicContact CG1-CB 4.23Å; V321-F443 HydrophobicContact CG2-CB 3.75Å; V321-F443 HydrophobicContact CG2-CD2 4.49Å; V321-F443 HydrophobicContact CG2-CG 4.47Å; F439-F443 WeakPolarHBondContact O-CB 3.43Å; F439-F443 PolarHBondContact O-N 3.01Å; I440-F443 WeakPolarHBondContact O-CB 3.36Å; I440-F443 PolarHBondContact O-N 2.72Å; Q441-F443 VanDerWaalsContact C-N 3.3Å; Q441-F443 PolarHBondContact O-N 3.17Å; F443-D445 VanDerWaalsContact C-N 3.33Å; F443-D445 PolarHBondContact O-N 3.28Å; F443-M446 PolarHBondContact O-N 2.88Å; F443-E447 WeakPolarHBondContact CZ-OE2 3.29Å; F443-E447 PolarHBondContact O-N 3.33Å
444V96.1Very high95Very high0 Ų042.1 Ų42.10%021%0.209CC..Hα-helixtrans-62.4-43.5179.4-179.50000110.5T185 C424 I428 I440 Q441 T442 M446 E447 V448T185-V444 HydrophobicContact CG2-CG1 4.44Å; T185-V444 HydrophobicContact CG2-CG2 4.08Å; C424-V444 HydrophobicContact CB-CG1 4.34Å; I428-V444 HydrophobicContact CB-CG1 4.09Å; I428-V444 HydrophobicContact CD1-CB 3.88Å; I428-V444 HydrophobicContact CD1-CG1 4.12Å; I428-V444 HydrophobicContact CD1-CG2 4.03Å; I428-V444 HydrophobicContact CG2-CG1 3.97Å; I440-V444 WeakPolarHBondContact O-CG2 3.38Å; I440-V444 PolarHBondContact O-N 3.37Å; Q441-V444 PolarHBondContact O-N 3.32Å; Q441-V444 VanDerWaalsContact O-N 3.17Å; T442-V444 PolarHBondContact O-N 2.78Å; V444-M446 PolarHBondContact O-N 3.29Å; V444-E447 PolarHBondContact O-N 3.43Å; V444-V448 HydrophobicContact CG1-CG2 4.23Å; V444-V448 WeakPolarHBondContact O-CB 3.37Å; V444-V448 VanDerWaalsContact O-CG2 3.26Å; V444-V448 WeakPolarHBondContact O-CG2 3.23Å; V444-V448 PolarHBondContact O-N 3.22Å
445D94.6Very high95.3Very high86 Ų8634.9 Ų34.946%0.4618%0.175SC..Hα-helixtrans-62.7-42.7179.7-72.1-19.9000112Q441 T442 F443 K449Q441-D445 PolarHBondContact O-N 3.42Å; T442-D445 PolarHBondContact O-N 3.12Å; F443-D445 VanDerWaalsContact C-N 3.33Å; F443-D445 PolarHBondContact O-N 3.28Å; D445-K449 VanDerWaalsContact O-CB 3.27Å; D445-K449 WeakPolarHBondContact O-CB 3.35Å; D445-K449 PolarHBondContact O-N 2.87Å
446M95.3Very high95.5Very high15 Ų1536.8 Ų36.87%0.07418%0.182CC..Hα-helixtrans-62.9-43.8175.5-70.8174.283.700111.7N311 V321 N324 Y328 T442 F443 V444 K449 L450N311-M446 WeakPolarHBondContact ND2-CE 3.33Å; V321-M446 HydrophobicContact CG1-SD 4.05Å; N324-M446 WeakPolarHBondContact O-CE 3.31Å; Y328-M446 HydrophobicContact CD1-CE 3.69Å; Y328-M446 HydrophobicContact CD2-CE 4.24Å; Y328-M446 HydrophobicContact CE1-CE 3.94Å; Y328-M446 HydrophobicContact CE2-CB 4.03Å; Y328-M446 HydrophobicContact CE2-CE 4.42Å; Y328-M446 WeakPolarHBondContact CE2-O 3.41Å; Y328-M446 HydrophobicContact CG-CE 3.88Å; Y328-M446 PolarHBondContact OH-O 2.65Å; T442-M446 HydrophobicContact CG2-CG 4.27Å; T442-M446 HydrophobicContact CG2-SD 3.86Å; T442-M446 WeakPolarHBondContact O-CB 3.43Å; T442-M446 WeakPolarHBondContact O-CG 3.49Å; T442-M446 PolarHBondContact O-N 2.99Å; F443-M446 PolarHBondContact O-N 2.88Å; V444-M446 PolarHBondContact O-N 3.29Å; M446-K449 PolarHBondContact O-N 3Å; M446-L450 PolarHBondContact O-N 3.46Å
447E96Very high95.5Very high2 Ų239 Ų391%0.00919%0.191CC..Hα-helixtrans-66.8-44.2179.7-178.2164166.200111.7T185 S186 V330 F443 V444 K449 L450 Y451T185-E447 WeakPolarHBondContact CB-OE2 3.29Å; S186-E447 VanDerWaalsContact CB-OE1 3.27Å; S186-E447 WeakPolarHBondContact CB-OE1 3.41Å; S186-E447 PolarHBondContact N-OE1 3.29Å; S186-E447 PolarHBondContact N-OE2 2.73Å; S186-E447 PolarHBondContact OG-OE1 2.89Å; S186-E447 PolarHBondContact OG-OE2 2.97Å; V330-E447 HydrophobicContact CG1-CG 4.32Å; V330-E447 HydrophobicContact CG2-CB 4.45Å; V330-E447 HydrophobicContact CG2-CG 4.04Å; F443-E447 WeakPolarHBondContact CZ-OE2 3.29Å; F443-E447 PolarHBondContact O-N 3.33Å; V444-E447 PolarHBondContact O-N 3.43Å; E447-K449 VanDerWaalsContact C-N 3.35Å; E447-K449 PolarHBondContact O-N 3.5Å; E447-L450 PolarHBondContact O-N 2.94Å; E447-Y451 HydrophobicContact CG-CD2 4.08Å; E447-Y451 HydrophobicContact CG-CE2 3.4Å; E447-Y451 VanDerWaalsContact O-CD2 3.27Å; E447-Y451 WeakPolarHBondContact O-CD2 3.33Å; E447-Y451 PolarHBondContact O-N 3.07Å; E447-Y451 WeakPolarHBondContact OE1-CE2 3.44Å; E447-Y451 VanDerWaalsContact OE1-CZ 3.3Å; E447-Y451 PolarHBondContact OE1-OH 3.21Å
448V97.2Very high95.5Very high8 Ų835.9 Ų35.95%0.04818%0.179CC..Hα-helixtrans-56.3-49.3172.5168.10000110.7A421 C424 R425 V444 L450 Y451 E452A421-V448 HydrophobicContact CB-CG1 4.39Å; C424-V448 HydrophobicContact CB-CG2 3.5Å; C424-V448 VanDerWaalsContact CB-CG2 3.5Å; R425-V448 HydrophobicContact CG-CG1 3.85Å; R425-V448 HydrophobicContact CG-CG2 3.96Å; V444-V448 HydrophobicContact CG1-CG2 4.23Å; V444-V448 WeakPolarHBondContact O-CB 3.37Å; V444-V448 VanDerWaalsContact O-CG2 3.26Å; V444-V448 WeakPolarHBondContact O-CG2 3.23Å; V444-V448 PolarHBondContact O-N 3.22Å; V448-L450 VanDerWaalsContact C-N 3.35Å; V448-L450 PolarHBondContact O-N 3.49Å; V448-Y451 PolarHBondContact O-N 3.45Å; V448-E452 WeakPolarHBondContact O-CG 3.46Å; V448-E452 PolarHBondContact O-N 3.16Å; V448-E452 VanDerWaalsContact O-N 3.1Å
449K96.2Very high95.5Very high88 Ų8834.9 Ų34.938%0.38317%0.165SC..Hα-helixtrans-60-44.6-179.3-177.6176.6175.3-176.80111.4D445 M446 E447 Y451 E452 E453D445-K449 VanDerWaalsContact O-CB 3.27Å; D445-K449 WeakPolarHBondContact O-CB 3.35Å; D445-K449 PolarHBondContact O-N 2.87Å; M446-K449 PolarHBondContact O-N 3Å; E447-K449 VanDerWaalsContact C-N 3.35Å; E447-K449 PolarHBondContact O-N 3.5Å; K449-Y451 VanDerWaalsContact C-N 3.35Å; K449-Y451 PolarHBondContact O-N 2.67Å; K449-E452 PolarHBondContact O-N 3.41Å; K449-E453 WeakPolarHBondContact CE-OE1 3.37Å; K449-E453 HydrophobicContact CG-CG 4.33Å; K449-E453 IonicContact NZ-OE1 3.41Å; K449-E453 WeakPolarHBondContact O-CG 3.44Å; K449-E453 PolarHBondContact O-N 2.88Å
450L97.1Very high95.3Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-63.7-39.9178.7-17955.4000112.1Y328 V330 L363 K365 V369 M446 E447 V448 E452 S454Y328-L450 HydrophobicContact CD2-CD2 4.04Å; Y328-L450 HydrophobicContact CE2-CB 3.76Å; Y328-L450 HydrophobicContact CE2-CD2 3.78Å; Y328-L450 HydrophobicContact CE2-CG 4.3Å; V330-L450 HydrophobicContact CB-CD2 3.9Å; V330-L450 HydrophobicContact CG2-CD2 3.75Å; L363-L450 HydrophobicContact CB-CD1 4.43Å; L363-L450 HydrophobicContact CB-CD2 4.04Å; L363-L450 HydrophobicContact CB-CG 4.11Å; K365-L450 HydrophobicContact CB-CD1 4.13Å; V369-L450 HydrophobicContact CG1-CD1 4.36Å; V369-L450 HydrophobicContact CG2-CD1 3.95Å; M446-L450 PolarHBondContact O-N 3.46Å; E447-L450 PolarHBondContact O-N 2.94Å; V448-L450 VanDerWaalsContact C-N 3.35Å; V448-L450 PolarHBondContact O-N 3.49Å; L450-E452 PolarHBondContact O-N 2.85Å; L450-S454 WeakPolarHBondContact O-CB 3.44Å; L450-S454 PolarHBondContact O-N 2.91Å; L450-S454 PolarHBondContact O-OG 3.35Å
451Y98.1Very high94.2Very high10 Ų1041 Ų414%0.03921%0.209CC..Hα-helixtrans-60.6-43.9174.2-69-37.4000112.4V330 I332 L363 L417 M420 A421 E447 V448 K449 S454 A455V330-Y451 HydrophobicContact CG1-CE1 3.87Å; V330-Y451 WeakPolarHBondContact CG1-OH 3.36Å; I332-Y451 HydrophobicContact CG2-CD1 4.33Å; I332-Y451 HydrophobicContact CG2-CE1 3.46Å; I332-Y451 VanDerWaalsContact CG2-CE1 3.46Å; L363-Y451 HydrophobicContact CD1-CD1 3.54Å; L363-Y451 HydrophobicContact CD1-CE1 3.73Å; L417-Y451 HydrophobicContact CD2-CD1 3.98Å; M420-Y451 HydrophobicContact CB-CD1 4.49Å; M420-Y451 HydrophobicContact CB-CD2 3.93Å; M420-Y451 HydrophobicContact CB-CE2 3.93Å; M420-Y451 HydrophobicContact CB-CG 4.22Å; M420-Y451 HydrophobicContact SD-CE1 4.31Å; A421-Y451 HydrophobicContact CB-CD2 4.45Å; E447-Y451 HydrophobicContact CG-CD2 4.08Å; E447-Y451 HydrophobicContact CG-CE2 3.4Å; E447-Y451 VanDerWaalsContact O-CD2 3.27Å; E447-Y451 WeakPolarHBondContact O-CD2 3.33Å; E447-Y451 PolarHBondContact O-N 3.07Å; E447-Y451 WeakPolarHBondContact OE1-CE2 3.44Å; E447-Y451 VanDerWaalsContact OE1-CZ 3.3Å; E447-Y451 PolarHBondContact OE1-OH 3.21Å; V448-Y451 PolarHBondContact O-N 3.45Å; K449-Y451 VanDerWaalsContact C-N 3.35Å; K449-Y451 PolarHBondContact O-N 2.67Å; Y451-S454 PolarHBondContact O-N 2.79Å; Y451-A455 WeakPolarHBondContact O-CB 3.41Å; Y451-A455 PolarHBondContact O-N 2.91Å
452E97.8Very high92.9Very high43 Ų4344.3 Ų44.320%0.20124%0.241CC..Hα-helixtrans-69.9-43.2179.9-66.9-168131.900113.4M418 A421 R425 V448 K449 L450 S454 A455 K456M418-E452 HydrophobicContact CE-CG 4.28Å; M418-E452 HydrophobicContact SD-CB 4.44Å; M418-E452 HydrophobicContact SD-CG 4.09Å; A421-E452 HydrophobicContact CB-CG 3.9Å; R425-E452 IonicContact CZ-OE1 3.82Å; R425-E452 IonicContact CZ-OE2 3.75Å; R425-E452 IonicContact NH1-OE1 3.79Å; R425-E452 PolarHBondContact NH1-OE1 3.38Å; R425-E452 IonicContact NH2-OE1 3.51Å; R425-E452 PolarHBondContact NH2-OE1 3.01Å; R425-E452 IonicContact NH2-OE2 2.89Å; R425-E452 PolarHBondContact NH2-OE2 3.46Å; V448-E452 WeakPolarHBondContact O-CG 3.46Å; V448-E452 PolarHBondContact O-N 3.16Å; V448-E452 VanDerWaalsContact O-N 3.1Å; K449-E452 PolarHBondContact O-N 3.41Å; L450-E452 PolarHBondContact O-N 2.85Å; E452-S454 VanDerWaalsContact C-N 3.3Å; E452-A455 PolarHBondContact O-N 2.95Å; E452-K456 WeakPolarHBondContact O-CG 3.46Å; E452-K456 PolarHBondContact O-N 3.01Å; E452-K456 VanDerWaalsContact O-N 3.08Å
453E96.9Very high92Very high50 Ų5043.3 Ų43.323%0.23424%0.235CC..Hα-helixtrans-63.7-40.2175.7-69.7-174.6-17800110.5K365 V369 K449 K456 F457K365-E453 IonicContact NZ-OE1 2.75Å; K365-E453 IonicContact NZ-OE2 3.91Å; K365-E453 PolarHBondContact NZ-OE2 2.86Å; V369-E453 HydrophobicContact CG2-CB 3.6Å; V369-E453 WeakPolarHBondContact CG2-OE2 3.42Å; K449-E453 WeakPolarHBondContact CE-OE1 3.37Å; K449-E453 HydrophobicContact CG-CG 4.33Å; K449-E453 IonicContact NZ-OE1 3.41Å; K449-E453 WeakPolarHBondContact O-CG 3.44Å; K449-E453 PolarHBondContact O-N 2.88Å; E453-K456 PolarHBondContact O-N 3.47Å; E453-F457 WeakPolarHBondContact O-CB 3.49Å; E453-F457 PolarHBondContact O-N 3.38Å
454S96.9Very high91.3Very high0 Ų044.4 Ų44.40%024%0.239CC..Hα-helixtrans-63.3-43.2173.8-60.60000111.7V369 L450 Y451 E452 K456 F457 V458V369-S454 WeakPolarHBondContact CG1-OG 3.25Å; L450-S454 WeakPolarHBondContact O-CB 3.44Å; L450-S454 PolarHBondContact O-N 2.91Å; L450-S454 PolarHBondContact O-OG 3.35Å; Y451-S454 PolarHBondContact O-N 2.79Å; E452-S454 VanDerWaalsContact C-N 3.3Å; S454-K456 VanDerWaalsContact C-N 3.26Å; S454-K456 PolarHBondContact O-N 3Å; S454-F457 WeakPolarHBondContact O-CB 3.38Å; S454-F457 PolarHBondContact O-N 3.4Å; S454-F457 VanDerWaalsContact O-N 3.15Å; S454-V458 WeakPolarHBondContact O-CG2 3.38Å; S454-V458 PolarHBondContact O-N 2.96Å
455A97Very high90.2Very high3 Ų347.2 Ų47.23%0.02526%0.257CS..Hα-helixtrans-60.2-37.6177.900000112.1S414 L417 M418 Y451 E452S414-A455 PolarHBondContact OG-O 2.8Å; L417-A455 HydrophobicContact CB-CB 3.87Å; L417-A455 HydrophobicContact CD1-CB 4.39Å; M418-A455 HydrophobicContact CG-CB 3.75Å; M418-A455 HydrophobicContact SD-CB 3.67Å; Y451-A455 WeakPolarHBondContact O-CB 3.41Å; Y451-A455 PolarHBondContact O-N 2.91Å; E452-A455 PolarHBondContact O-N 2.95Å
456K95.9Very high89.3Confident151 Ų15146.5 Ų46.566%0.65726%0.259SS*.Hα-helixtrans-70-43.8173.6-68.4171.9-174.4173.70111.7E452 E453 S454 V458 K459E452-K456 WeakPolarHBondContact O-CG 3.46Å; E452-K456 PolarHBondContact O-N 3.01Å; E452-K456 VanDerWaalsContact O-N 3.08Å; E453-K456 PolarHBondContact O-N 3.47Å; S454-K456 VanDerWaalsContact C-N 3.26Å; S454-K456 PolarHBondContact O-N 3Å; K456-V458 VanDerWaalsContact C-N 3.32Å; K456-V458 PolarHBondContact O-N 2.76Å; K456-K459 WeakPolarHBondContact O-CB 3.39Å; K456-K459 PolarHBondContact O-N 2.91Å
457F95.1Very high88.4Confident51 Ų5148.7 Ų48.722%0.22427%0.273CS..Hα-helixtrans-58.4-41.5178.5177.2-96.7000112.5V369 I371 E453 S454 K459 T460 V463 W464V369-F457 HydrophobicContact CG1-CB 4.19Å; V369-F457 HydrophobicContact CG1-CG 4.36Å; V369-F457 WeakPolarHBondContact O-CD2 3.49Å; V369-F457 WeakPolarHBondContact O-CE2 3.41Å; I371-F457 HydrophobicContact CB-CD1 4.45Å; I371-F457 HydrophobicContact CB-CE1 4.36Å; I371-F457 HydrophobicContact CD1-CD1 3.76Å; I371-F457 HydrophobicContact CD1-CE1 4.47Å; I371-F457 HydrophobicContact CG1-CD1 3.82Å; I371-F457 HydrophobicContact CG1-CE1 4.19Å; E453-F457 WeakPolarHBondContact O-CB 3.49Å; E453-F457 PolarHBondContact O-N 3.38Å; S454-F457 WeakPolarHBondContact O-CB 3.38Å; S454-F457 PolarHBondContact O-N 3.4Å; S454-F457 VanDerWaalsContact O-N 3.15Å; F457-K459 PolarHBondContact O-N 3.06Å; F457-K459 VanDerWaalsContact O-N 3.08Å; F457-T460 WeakPolarHBondContact O-CB 3.3Å; F457-T460 PolarHBondContact O-N 3.37Å; F457-T460 PolarHBondContact O-OG1 2.98Å; F457-V463 HydrophobicContact CE1-CG1 3.64Å; F457-V463 HydrophobicContact CE2-CG1 4.3Å; F457-V463 HydrophobicContact CE2-CG2 4.16Å; F457-V463 HydrophobicContact CZ-CB 4.44Å; F457-V463 HydrophobicContact CZ-CG1 3.45Å; F457-V463 VanDerWaalsContact CZ-CG1 3.45Å; F457-V463 HydrophobicContact CZ-CG2 4.11Å; F457-W464 HydrophobicContact CD1-CZ2 4.28Å; F457-W464 HydrophobicContact CE1-CH2 4.16Å; F457-W464 HydrophobicContact CE1-CZ2 4.06Å
458V94.3Very high87.6Confident0 Ų048.8 Ų48.80%027%0.274CS..Hα-helixtrans-55-31.1176.1171.80000112.5I371 K410 L413 L417 S454 K456 T460 W464I371-V458 HydrophobicContact CD1-CG2 3.35Å; K410-V458 HydrophobicContact CB-CG1 3.99Å; K410-V458 HydrophobicContact CG-CG1 4.21Å; K410-V458 WeakPolarHBondContact O-CG1 3.14Å; L413-V458 HydrophobicContact CB-CG1 4.15Å; L413-V458 HydrophobicContact CD2-CG1 4.22Å; L413-V458 HydrophobicContact CD2-CG2 3.65Å; L413-V458 HydrophobicContact CG-CG1 4.35Å; L413-V458 HydrophobicContact CG-CG2 3.88Å; L417-V458 HydrophobicContact CD1-CG2 4.1Å; S454-V458 WeakPolarHBondContact O-CG2 3.38Å; S454-V458 PolarHBondContact O-N 2.96Å; K456-V458 VanDerWaalsContact C-N 3.32Å; K456-V458 PolarHBondContact O-N 2.76Å; V458-T460 VanDerWaalsContact C-N 3.35Å; V458-W464 HydrophobicContact CG2-CZ2 4.25Å; V458-W464 PolarHBondContact O-NE1 3.33Å
459K91.7Very high86.5Confident76 Ų7651.9 Ų51.933%0.3329%0.293SS..THydrogen-bonded Turntrans-85-4.3-177.8-65.2-65.2-174.2173.50114.2K410 D411 K456 F457K410-K459 HydrophobicContact CB-CD 4.12Å; D411-K459 VanDerWaalsContact CA-NZ 3.3Å; D411-K459 VanDerWaalsContact N-NZ 3.17Å; D411-K459 IonicContact OD1-NZ 2.65Å; D411-K459 PolarHBondContact OD1-NZ 2.94Å; D411-K459 IonicContact OD2-NZ 2.72Å; K456-K459 WeakPolarHBondContact O-CB 3.39Å; K456-K459 PolarHBondContact O-N 2.91Å; F457-K459 PolarHBondContact O-N 3.06Å; F457-K459 VanDerWaalsContact O-N 3.08Å
460T87.3Confident85.2Confident62 Ų6249.3 Ų49.338%0.3829%0.288SS..  trans-69.8129.3179.5-54.30000110.9F457 V458 A462 V463F457-T460 WeakPolarHBondContact O-CB 3.3Å; F457-T460 PolarHBondContact O-N 3.37Å; F457-T460 PolarHBondContact O-OG1 2.98Å; V458-T460 VanDerWaalsContact C-N 3.35Å; T460-A462 VanDerWaalsContact C-N 3.34Å; T460-A462 PolarHBondContact O-N 2.94Å; T460-V463 HydrophobicContact CG2-CG2 4.03Å
461P71.7Confident83.5Confident116 Ų11654.3 Ų54.375%0.75333%0.33SS*.THydrogen-bonded Turntrans-60.1-30.5-169.7-28.735.2000116.7
462A67.6Low82.7Confident100 Ų10056.6 Ų56.683%0.82634%0.344SS*.THydrogen-bonded Turntrans-101.36.7-165.500000115.5T460T460-A462 VanDerWaalsContact C-N 3.34Å; T460-A462 PolarHBondContact O-N 2.94Å
463V72.9Confident81.9Confident48 Ų4857.3 Ų57.329%0.29135%0.352SS..SBendtrans-90.7-24.8-165.8178.40000113.5F457 T460F457-V463 HydrophobicContact CE1-CG1 3.64Å; F457-V463 HydrophobicContact CE2-CG1 4.3Å; F457-V463 HydrophobicContact CE2-CG2 4.16Å; F457-V463 HydrophobicContact CZ-CB 4.44Å; F457-V463 HydrophobicContact CZ-CG1 3.45Å; F457-V463 VanDerWaalsContact CZ-CG1 3.45Å; F457-V463 HydrophobicContact CZ-CG2 4.11Å; T460-V463 HydrophobicContact CG2-CG2 4.03Å
464W82Confident81.1Confident23 Ų2357.7 Ų57.79%0.08736%0.358CS..SBendtrans-113137.9-162.9-54.9108.5000113.6I371 F376 F457 V458I371-W464 HydrophobicContact CB-CH2 4.13Å; I371-W464 HydrophobicContact CG2-CH2 4.37Å; F376-W464 HydrophobicContact CB-CD2 4.02Å; F376-W464 HydrophobicContact CB-CE3 3.49Å; F376-W464 VanDerWaalsContact CB-CE3 3.49Å; F376-W464 HydrophobicContact CB-CH2 4.03Å; F376-W464 HydrophobicContact CB-CZ3 3.51Å; F376-W464 HydrophobicContact CD1-CB 3.82Å; F376-W464 AromaticContact CD1-CD2 3.83Å; F376-W464 HydrophobicContact CD1-CD2 3.83Å; F376-W464 AromaticContact CD1-CE3 3.77Å; F376-W464 HydrophobicContact CD1-CE3 3.77Å; F376-W464 AromaticContact CD1-CG 3.87Å; F376-W464 HydrophobicContact CD1-CG 3.87Å; F376-W464 AromaticContact CD2-CD2 3.87Å; F376-W464 HydrophobicContact CD2-CD2 3.87Å; F376-W464 HydrophobicContact CD2-CE3 4.24Å; F376-W464 HydrophobicContact CD2-CG 4.15Å; F376-W464 HydrophobicContact CE1-CB 3.52Å; F376-W464 HydrophobicContact CE1-CD2 4.26Å; F376-W464 AromaticContact CE1-CG 3.82Å; F376-W464 HydrophobicContact CE1-CG 3.82Å; F376-W464 HydrophobicContact CE2-CD2 4.32Å; F376-W464 HydrophobicContact CE2-CG 4.12Å; F376-W464 HydrophobicContact CG-CB 4.47Å; F376-W464 AromaticContact CG-CD2 3.61Å; F376-W464 HydrophobicContact CG-CD2 3.61Å; F376-W464 AromaticContact CG-CE3 3.55Å; F376-W464 HydrophobicContact CG-CE3 3.55Å; F376-W464 HydrophobicContact CG-CG 4.03Å; F376-W464 HydrophobicContact CG-CZ3 4.07Å; F376-W464 HydrophobicContact CZ-CB 3.98Å; F376-W464 AromaticContact CZ-CG 3.95Å; F376-W464 HydrophobicContact CZ-CG 3.95Å; F457-W464 HydrophobicContact CD1-CZ2 4.28Å; F457-W464 HydrophobicContact CE1-CH2 4.16Å; F457-W464 HydrophobicContact CE1-CZ2 4.06Å; V458-W464 HydrophobicContact CG2-CZ2 4.25Å; V458-W464 PolarHBondContact O-NE1 3.33Å
465P72.6Confident80.2Confident59 Ų5961.1 Ų61.138%0.38338%0.379SS..  trans-66.5138.8177.926.4-32.5000111.3V467P465-V467 VanDerWaalsContact C-N 3.27Å
466S74.8Confident79.1Confident71 Ų7164.7 Ų64.750%0.49740%0.401SS..SBendtrans-83.7-2.5176.756.60000114V401V401-S466 PolarHBondContact N-O 3.21Å
467V76.9Confident78Confident61 Ų6158.9 Ų58.937%0.3738%0.384SS..EExtended strand (participates in β ladder)trans-124.1123-177.6-179.20000108.8S398 P465 T469S398-V467 VanDerWaalsContact CB-CG1 3.45Å; P465-V467 VanDerWaalsContact C-N 3.27Å; V467-T469 HydrophobicContact CG1-CG2 4.25Å
468L79.5Confident76.8Confident4 Ų459.5 Ų59.52%0.02140%0.396CS..EExtended strand (participates in β ladder)trans-90.6102.7174-121.7162.1000108.1R377 L380 L392 S398 A399 V401 W405R377-L468 HydrophobicContact CB-CD2 4.34Å; R377-L468 HydrophobicContact CG-CD2 4.36Å; L380-L468 HydrophobicContact CB-CD1 3.63Å; L380-L468 HydrophobicContact CD1-CD1 3.57Å; L380-L468 HydrophobicContact CD1-CG 4.01Å; L380-L468 HydrophobicContact CG-CD1 4.21Å; L392-L468 HydrophobicContact CD2-CB 4.36Å; L392-L468 HydrophobicContact CD2-CD1 4.18Å; S398-L468 CarbonylContact C-O 3.57Å; S398-L468 VanDerWaalsContact CA-O 3.25Å; S398-L468 WeakPolarHBondContact CA-O 3.46Å; A399-L468 PolarHBondContact N-O 3.03Å; A399-L468 PolarHBondContact O-N 3Å; V401-L468 HydrophobicContact CG2-CB 3.93Å; V401-L468 HydrophobicContact CG2-CD1 3.93Å; V401-L468 HydrophobicContact CG2-CG 4.27Å; W405-L468 HydrophobicContact CH2-CD1 4.34Å; W405-L468 HydrophobicContact CZ2-CD1 4.49Å
469T75Confident75.4Confident73 Ų7364.1 Ų64.145%0.44843%0.426SS..EExtended strand (participates in β ladder)trans-82.8147175.152.30000110.9H353 R377 V467H353-T469 PolarHBondContact ND1-O 3.14Å; R377-T469 PolarHBondContact NH2-O 3.37Å; V467-T469 HydrophobicContact CG1-CG2 4.25Å
470A67.9Low74.1Confident35 Ų3563.1 Ų63.129%0.28943%0.434SS..  trans-61143.5158.800000108.8S397S397-A470 PolarHBondContact O-N 2.85Å
471A60.9Low72.9Confident105 Ų10563.2 Ų63.287%0.86844%0.439SS*.  trans-70.50-176.700000112.2N354N354-A471 HydrophobicContact CB-CB 4.4Å; N354-A471 WeakPolarHBondContact ND2-CB 3.27Å

Retrieved 471 of 471 residues in 479.1 ms (Link to these results)

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