A0A087X2M3_POEFO Loading...

NIN1 (RPN12) binding

AlphaFold DB , UniProt , Accession A0A087X2M3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 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
1V90.9Very high90.1Very high44 Ų4456.3 Ų56.327%0.26728%0.275SS..  0-77.70-173.90000112.7E3 F4 S5 I19 L22 A23 M197V1-E3 VanDerWaalsContact C-N 3.32Å; V1-E3 PolarHBondContact O-N 3.42Å; V1-E3 VanDerWaalsContact O-N 3.12Å; V1-F4 WeakPolarHBondContact O-CA 3.42Å; V1-F4 VanDerWaalsContact O-CB 3.23Å; V1-F4 WeakPolarHBondContact O-CB 3.43Å; V1-F4 PolarHBondContact O-N 3Å; V1-S5 PolarHBondContact O-N 3Å; V1-S5 PolarHBondContact O-OG 3.21Å; V1-I19 HydrophobicContact CG1-CD1 4.43Å; V1-I19 HydrophobicContact CG1-CG2 4.36Å; V1-L22 HydrophobicContact CG1-CB 3.59Å; V1-L22 HydrophobicContact CG1-CD1 4.14Å; V1-A23 HydrophobicContact CG2-CB 4.21Å; V1-M197 HydrophobicContact CG2-CE 4.22Å
2T94Very high89.9Confident54 Ų5459.8 Ų59.833%0.33131%0.305SS..Hα-helixtrans-50.3-44.2-170.9-51.50000115K6 Y11T2-K6 WeakPolarHBondContact O-CG 3.46Å; T2-K6 PolarHBondContact O-N 2.96Å; T2-Y11 HydrophobicContact CG2-CD2 4.14Å; T2-Y11 HydrophobicContact CG2-CE2 3.67Å
3E93.6Very high89.6Confident143 Ų14357.8 Ų57.867%0.66830%0.3SS*.Hα-helixtrans-69.5-37.9177.6-63.4179.7173.400112.5V1 K6 K7V1-E3 VanDerWaalsContact C-N 3.32Å; V1-E3 PolarHBondContact O-N 3.42Å; V1-E3 VanDerWaalsContact O-N 3.12Å; E3-K6 WeakPolarHBondContact O-CB 3.49Å; E3-K6 PolarHBondContact O-N 3.07Å; E3-K7 WeakPolarHBondContact O-CG 3.47Å; E3-K7 PolarHBondContact O-N 3.49Å
4F92.8Very high89.8Confident12 Ų1254.9 Ų54.95%0.05329%0.285CS..Hα-helixtrans-60.3-52.2174.3-165.1-75.3000110.5V1 K6 K7 T8 K39 P42 V193 Q196 M197V1-F4 WeakPolarHBondContact O-CA 3.42Å; V1-F4 VanDerWaalsContact O-CB 3.23Å; V1-F4 WeakPolarHBondContact O-CB 3.43Å; V1-F4 PolarHBondContact O-N 3Å; F4-K6 PolarHBondContact O-N 3.39Å; F4-K6 VanDerWaalsContact O-N 3.17Å; F4-K7 WeakPolarHBondContact O-CA 3.44Å; F4-K7 WeakPolarHBondContact O-CB 3.46Å; F4-K7 PolarHBondContact O-N 3.34Å; F4-T8 HydrophobicContact CD1-CG2 3.65Å; F4-T8 HydrophobicContact CE1-CG2 3.49Å; F4-T8 VanDerWaalsContact CE1-CG2 3.49Å; F4-T8 WeakPolarHBondContact O-CG2 3.32Å; F4-T8 PolarHBondContact O-N 3.42Å; F4-K39 HydrophobicContact CE2-CB 4.4Å; F4-K39 VanDerWaalsContact CE2-O 3.31Å; F4-K39 WeakPolarHBondContact CE2-O 3.23Å; F4-P42 HydrophobicContact CE1-CB 4.02Å; F4-P42 HydrophobicContact CE1-CG 4.49Å; F4-P42 HydrophobicContact CE2-CB 4.28Å; F4-P42 HydrophobicContact CZ-CB 3.69Å; F4-P42 HydrophobicContact CZ-CG 4.3Å; F4-V193 HydrophobicContact CD1-CG1 4.25Å; F4-Q196 HydrophobicContact CE1-CB 3.71Å; F4-Q196 HydrophobicContact CZ-CB 3.91Å; F4-Q196 WeakPolarHBondContact CZ-O 3.07Å; F4-M197 HydrophobicContact CD1-CG 3.54Å; F4-M197 HydrophobicContact CD1-SD 4.14Å; F4-M197 HydrophobicContact CD2-CG 3.98Å; F4-M197 HydrophobicContact CE1-CB 4.47Å; F4-M197 HydrophobicContact CE1-CG 3.45Å; F4-M197 VanDerWaalsContact CE1-CG 3.45Å; F4-M197 HydrophobicContact CE2-CG 3.88Å; F4-M197 HydrophobicContact CG-CG 3.82Å; F4-M197 HydrophobicContact CG-SD 4.24Å; F4-M197 HydrophobicContact CZ-CB 4.38Å; F4-M197 HydrophobicContact CZ-CG 3.63Å
5S91.9Very high90Very high0 Ų054.3 Ų54.30%029%0.287CS..Hα-helixtrans-61.3-25.1176.7-47.60000113.6V1 T8 G9 D10 Y11V1-S5 PolarHBondContact O-N 3Å; V1-S5 PolarHBondContact O-OG 3.21Å; S5-T8 PolarHBondContact O-OG1 2.86Å; S5-G9 PolarHBondContact O-N 2.97Å; S5-G9 VanDerWaalsContact O-N 3.12Å; S5-D10 PolarHBondContact O-N 3.17Å; S5-D10 VanDerWaalsContact O-N 3.16Å; S5-Y11 WeakPolarHBondContact O-CB 3.44Å; S5-Y11 PolarHBondContact O-N 2.91Å
6K90.6Very high90.3Very high117 Ų11755.8 Ų55.851%0.50931%0.31SS..Hα-helixtrans-74.1-36.5171.5-74.3172.1-178.7176.80111.7T2 E3 F4 G9 Y11T2-K6 WeakPolarHBondContact O-CG 3.46Å; T2-K6 PolarHBondContact O-N 2.96Å; E3-K6 WeakPolarHBondContact O-CB 3.49Å; E3-K6 PolarHBondContact O-N 3.07Å; F4-K6 PolarHBondContact O-N 3.39Å; F4-K6 VanDerWaalsContact O-N 3.17Å; K6-G9 PolarHBondContact O-N 3.45Å; K6-Y11 HydrophobicContact CG-CD1 3.93Å; K6-Y11 HydrophobicContact CG-CD2 4.25Å; K6-Y11 HydrophobicContact CG-CG 3.71Å
7K88.8Confident90.7Very high98 Ų9857.9 Ų57.943%0.42632%0.324SS..Hα-helixtrans-69.2-40.8174.6-68.7174.7-175.9175.20112E3 F4 G9 E41 P42E3-K7 WeakPolarHBondContact O-CG 3.47Å; E3-K7 PolarHBondContact O-N 3.49Å; F4-K7 WeakPolarHBondContact O-CA 3.44Å; F4-K7 WeakPolarHBondContact O-CB 3.46Å; F4-K7 PolarHBondContact O-N 3.34Å; K7-G9 VanDerWaalsContact C-N 3.29Å; K7-G9 PolarHBondContact O-N 2.94Å; K7-E41 IonicContact NZ-OE1 2.71Å; K7-E41 PolarHBondContact NZ-OE1 3.33Å; K7-P42 HydrophobicContact CB-CG 3.7Å
8T85.6Confident90.9Very high25 Ų2556.2 Ų56.215%0.15332%0.315CS..Hα-helixtrans-67.5-31.6172.974.40000112.2F4 S5 D10 P42 V193 Q196F4-T8 HydrophobicContact CD1-CG2 3.65Å; F4-T8 HydrophobicContact CE1-CG2 3.49Å; F4-T8 VanDerWaalsContact CE1-CG2 3.49Å; F4-T8 WeakPolarHBondContact O-CG2 3.32Å; F4-T8 PolarHBondContact O-N 3.42Å; S5-T8 PolarHBondContact O-OG1 2.86Å; T8-D10 VanDerWaalsContact CB-OD2 3.24Å; T8-D10 WeakPolarHBondContact CB-OD2 3.4Å; T8-D10 PolarHBondContact OG1-N 3.16Å; T8-D10 PolarHBondContact OG1-OD2 2.92Å; T8-P42 HydrophobicContact CG2-CB 4.14Å; T8-P42 HydrophobicContact CG2-CG 4.3Å; T8-V193 HydrophobicContact CG2-CG2 4.46Å; T8-Q196 HydrophobicContact CG2-CB 4.47Å
9G84.6Confident91.2Very high16 Ų1654.6 Ų54.617%0.16531%0.305CS..THydrogen-bonded Turntrans94.92.2-178.900000114.4S5 K6 K7 P12S5-G9 PolarHBondContact O-N 2.97Å; S5-G9 VanDerWaalsContact O-N 3.12Å; K6-G9 PolarHBondContact O-N 3.45Å; K7-G9 VanDerWaalsContact C-N 3.29Å; K7-G9 PolarHBondContact O-N 2.94Å; G9-P12 VanDerWaalsContact O-CD 3.24Å; G9-P12 WeakPolarHBondContact O-CD 3.35Å
10D87.9Confident91.5Very high13 Ų1359.4 Ų59.47%0.0732%0.322CS..  trans-82.2-15.3178.9-60.1-75.9000113.3S5 T8 P12 S13 L14 A189 N192 V193S5-D10 PolarHBondContact O-N 3.17Å; S5-D10 VanDerWaalsContact O-N 3.16Å; T8-D10 VanDerWaalsContact CB-OD2 3.24Å; T8-D10 WeakPolarHBondContact CB-OD2 3.4Å; T8-D10 PolarHBondContact OG1-N 3.16Å; T8-D10 PolarHBondContact OG1-OD2 2.92Å; D10-P12 VanDerWaalsContact C-N 3.32Å; D10-P12 VanDerWaalsContact O-N 3.14Å; D10-S13 PolarHBondContact O-N 2.93Å; D10-S13 PolarHBondContact O-OG 3.33Å; D10-L14 HydrophobicContact CB-CD1 4.48Å; D10-L14 PolarHBondContact O-N 3.23Å; D10-A189 HydrophobicContact CB-CB 4.21Å; D10-N192 PolarHBondContact OD1-ND2 3.1Å; D10-V193 HydrophobicContact CB-CG2 3.83Å
11Y90.8Very high91.7Very high97 Ų9759.5 Ų59.538%0.3833%0.325SS..G310 helixtrans-47.5-41.3179179.8-100000115.1T2 S5 K6 S13 L14 I19T2-Y11 HydrophobicContact CG2-CD2 4.14Å; T2-Y11 HydrophobicContact CG2-CE2 3.67Å; S5-Y11 WeakPolarHBondContact O-CB 3.44Å; S5-Y11 PolarHBondContact O-N 2.91Å; K6-Y11 HydrophobicContact CG-CD1 3.93Å; K6-Y11 HydrophobicContact CG-CD2 4.25Å; K6-Y11 HydrophobicContact CG-CG 3.71Å; Y11-S13 PolarHBondContact O-N 3.19Å; Y11-L14 PolarHBondContact O-N 2.94Å; Y11-L14 VanDerWaalsContact O-N 3.16Å; Y11-I19 HydrophobicContact CD2-CD1 4.09Å; Y11-I19 HydrophobicContact CE2-CD1 4.34Å
12P87.7Confident92Very high99 Ų9957.5 Ų57.564%0.64331%0.313SS*.G310 helixtrans-69.2-11.1179.6-19.434.2000115.8G9 D10G9-P12 VanDerWaalsContact O-CD 3.24Å; G9-P12 WeakPolarHBondContact O-CD 3.35Å; D10-P12 VanDerWaalsContact C-N 3.32Å; D10-P12 VanDerWaalsContact O-N 3.14Å
13S86.2Confident92.1Very high33 Ų3356.9 Ų56.923%0.23131%0.313CS..G310 helixtrans-98-16.5170.347.70000113.7D10 Y11 A189 S227D10-S13 PolarHBondContact O-N 2.93Å; D10-S13 PolarHBondContact O-OG 3.33Å; Y11-S13 PolarHBondContact O-N 3.19Å; S13-A189 VanDerWaalsContact OG-CB 3.22Å; S13-A189 WeakPolarHBondContact OG-CB 3.41Å; S13-S227 WeakPolarHBondContact CB-OG 3.29Å; S13-S227 PolarHBondContact OG-OG 2.99Å
14L91.4Very high92.2Very high18 Ų1854.5 Ų54.59%0.09431%0.305CS..  trans-84.1132.8-177.5-65.5170.4000110.8D10 Y11 D18 I19 L22 A189 M190 V193D10-L14 HydrophobicContact CB-CD1 4.48Å; D10-L14 PolarHBondContact O-N 3.23Å; Y11-L14 PolarHBondContact O-N 2.94Å; Y11-L14 VanDerWaalsContact O-N 3.16Å; L14-D18 HydrophobicContact CB-CB 4.34Å; L14-D18 HydrophobicContact CD2-CB 3.87Å; L14-I19 HydrophobicContact CB-CD1 4.04Å; L14-I19 HydrophobicContact CB-CG1 4.28Å; L14-I19 HydrophobicContact CD1-CD1 3.86Å; L14-L22 HydrophobicContact CD1-CD1 3.9Å; L14-L22 HydrophobicContact CD2-CD1 4.41Å; L14-A189 HydrophobicContact CD2-CB 3.92Å; L14-A189 HydrophobicContact CG-CB 4.34Å; L14-M190 HydrophobicContact CD2-CG 3.69Å; L14-V193 HydrophobicContact CD1-CG2 4.27Å
15S93.4Very high92.3Very high46 Ų4654.6 Ų54.632%0.32231%0.306SS..  trans-81.8168.5172.674.30000111.9T17 D18 I19S15-T17 PolarHBondContact O-N 3.43Å; S15-T17 PolarHBondContact OG-N 2.96Å; S15-T17 PolarHBondContact OG-OG1 2.89Å; S15-D18 WeakPolarHBondContact CA-OD2 3.45Å; S15-D18 VanDerWaalsContact CB-OD2 3.24Å; S15-D18 WeakPolarHBondContact CB-OD2 3.45Å; S15-D18 PolarHBondContact N-OD2 3.36Å; S15-D18 PolarHBondContact O-N 3.28Å; S15-D18 VanDerWaalsContact O-N 3.16Å; S15-D18 PolarHBondContact OG-N 3.28Å; S15-D18 PolarHBondContact OG-OD1 3.03Å; S15-D18 PolarHBondContact OG-OD2 3.22Å; S15-I19 WeakPolarHBondContact O-CG1 3.39Å; S15-I19 PolarHBondContact O-N 2.93Å; S15-I19 VanDerWaalsContact O-N 3.14Å
16A94.9Very high92.5Very high78 Ų7858.2 Ų58.265%0.64532%0.32SS*.Hα-helixtrans-63.7-24.2176.100000113.4K20A16-K20 WeakPolarHBondContact O-CG 3.42Å
17T96.2Very high92.7Very high91 Ų9158.3 Ų58.356%0.55832%0.322SS*.Hα-helixtrans-75.6-41.1172.2340000111.5S15 I19 K20 V21S15-T17 PolarHBondContact O-N 3.43Å; S15-T17 PolarHBondContact OG-N 2.96Å; S15-T17 PolarHBondContact OG-OG1 2.89Å; T17-I19 PolarHBondContact O-N 3.05Å; T17-K20 WeakPolarHBondContact O-CA 3.5Å; T17-K20 WeakPolarHBondContact O-CB 3.42Å; T17-K20 PolarHBondContact O-N 2.9Å; T17-V21 PolarHBondContact O-N 3.17Å
18D95.8Very high93Very high28 Ų2856.4 Ų56.415%0.1532%0.317CS..Hα-helixtrans-64.2-42.5-179.1-48.7-31.3000110.8L14 S15 K20 V21 L22 M190L14-D18 HydrophobicContact CB-CB 4.34Å; L14-D18 HydrophobicContact CD2-CB 3.87Å; S15-D18 WeakPolarHBondContact CA-OD2 3.45Å; S15-D18 VanDerWaalsContact CB-OD2 3.24Å; S15-D18 WeakPolarHBondContact CB-OD2 3.45Å; S15-D18 PolarHBondContact N-OD2 3.36Å; S15-D18 PolarHBondContact O-N 3.28Å; S15-D18 VanDerWaalsContact O-N 3.16Å; S15-D18 PolarHBondContact OG-N 3.28Å; S15-D18 PolarHBondContact OG-OD1 3.03Å; S15-D18 PolarHBondContact OG-OD2 3.22Å; D18-K20 PolarHBondContact O-N 3.11Å; D18-V21 PolarHBondContact O-N 3.33Å; D18-V21 VanDerWaalsContact O-N 3.17Å; D18-L22 WeakPolarHBondContact O-CB 3.32Å; D18-L22 VanDerWaalsContact O-CG 3.26Å; D18-L22 WeakPolarHBondContact O-CG 3.39Å; D18-L22 PolarHBondContact O-N 3.29Å; D18-M190 HydrophobicContact CB-CE 4.1Å; D18-M190 HydrophobicContact CB-CG 4.01Å; D18-M190 HydrophobicContact CB-SD 3.81Å; D18-M190 WeakPolarHBondContact OD1-CE 3.42Å
19I96Very high93.4Very high26 Ų2655.3 Ų55.313%0.13331%0.31CS..Hα-helixtrans-59.8-34174.2-62.4-66.6000112V1 Y11 L14 S15 T17 L22 A23V1-I19 HydrophobicContact CG1-CD1 4.43Å; V1-I19 HydrophobicContact CG1-CG2 4.36Å; Y11-I19 HydrophobicContact CD2-CD1 4.09Å; Y11-I19 HydrophobicContact CE2-CD1 4.34Å; L14-I19 HydrophobicContact CB-CD1 4.04Å; L14-I19 HydrophobicContact CB-CG1 4.28Å; L14-I19 HydrophobicContact CD1-CD1 3.86Å; S15-I19 WeakPolarHBondContact O-CG1 3.39Å; S15-I19 PolarHBondContact O-N 2.93Å; S15-I19 VanDerWaalsContact O-N 3.14Å; T17-I19 PolarHBondContact O-N 3.05Å; I19-L22 HydrophobicContact CD1-CD1 4.46Å; I19-A23 WeakPolarHBondContact O-CB 3.47Å; I19-A23 PolarHBondContact O-N 3.14Å
20K96.7Very high93.9Very high150 Ų15058.1 Ų58.165%0.65232%0.321SS*.Hα-helixtrans-72-41.1175.1-71.6173.6-178.1-174.50112.1A16 T17 D18 A23 L24A16-K20 WeakPolarHBondContact O-CG 3.42Å; T17-K20 WeakPolarHBondContact O-CA 3.5Å; T17-K20 WeakPolarHBondContact O-CB 3.42Å; T17-K20 PolarHBondContact O-N 2.9Å; D18-K20 PolarHBondContact O-N 3.11Å; K20-A23 PolarHBondContact O-N 3.18Å; K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 PolarHBondContact O-N 3.42Å
21V96.6Very high94.2Very high62 Ų6263.5 Ų63.538%0.37635%0.345SS..Hα-helixtrans-61.4-48.6175.21740000110.1T17 D18 A23 L24 T25T17-V21 PolarHBondContact O-N 3.17Å; D18-V21 PolarHBondContact O-N 3.33Å; D18-V21 VanDerWaalsContact O-N 3.17Å; V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 PolarHBondContact O-N 2.93Å; V21-L24 PolarHBondContact O-N 2.87Å; V21-T25 WeakPolarHBondContact O-CG2 3.48Å; V21-T25 PolarHBondContact O-N 2.86Å; V21-T25 PolarHBondContact O-OG1 2.88Å
22L96Very high94.3Very high1 Ų162.4 Ų62.41%0.00534%0.344CS..Hα-helixtrans-58.3-38.6175.2-67.4173000112.7V1 L14 D18 I19 T25 Y26 M190 V193 L194V1-L22 HydrophobicContact CG1-CB 3.59Å; V1-L22 HydrophobicContact CG1-CD1 4.14Å; L14-L22 HydrophobicContact CD1-CD1 3.9Å; L14-L22 HydrophobicContact CD2-CD1 4.41Å; D18-L22 WeakPolarHBondContact O-CB 3.32Å; D18-L22 VanDerWaalsContact O-CG 3.26Å; D18-L22 WeakPolarHBondContact O-CG 3.39Å; D18-L22 PolarHBondContact O-N 3.29Å; I19-L22 HydrophobicContact CD1-CD1 4.46Å; L22-T25 WeakPolarHBondContact CA-OG1 3.27Å; L22-T25 PolarHBondContact O-OG1 3.44Å; L22-Y26 WeakPolarHBondContact O-CB 3.38Å; L22-Y26 PolarHBondContact O-N 3.12Å; L22-Y26 VanDerWaalsContact O-N 3.14Å; L22-M190 HydrophobicContact CD2-CB 4.37Å; L22-V193 HydrophobicContact CD1-CG1 4.16Å; L22-V193 HydrophobicContact CD2-CG1 4.48Å; L22-L194 HydrophobicContact CD2-CD1 3.89Å; L22-L194 HydrophobicContact CD2-CD2 3.57Å; L22-L194 HydrophobicContact CD2-CG 3.44Å; L22-L194 VanDerWaalsContact CD2-CG 3.44Å
23A96.3Very high94.4Very high42 Ų4260.7 Ų60.735%0.34733%0.331SS..Hα-helixtrans-69.4-41.2176.100000112.7V1 I19 K20 V21 Y26 Q27V1-A23 HydrophobicContact CG2-CB 4.21Å; I19-A23 WeakPolarHBondContact O-CB 3.47Å; I19-A23 PolarHBondContact O-N 3.14Å; K20-A23 PolarHBondContact O-N 3.18Å; V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 PolarHBondContact O-N 2.93Å; A23-Y26 PolarHBondContact O-N 3.15Å; A23-Q27 PolarHBondContact O-N 3.06Å
24L96.2Very high94.6Very high93 Ų9360 Ų6049%0.48733%0.33SS..Hα-helixtrans-63.2-44.4175.9179.261.8000111.4K20 V21 Y26 Q27 L28K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 PolarHBondContact O-N 3.42Å; V21-L24 PolarHBondContact O-N 2.87Å; L24-Y26 VanDerWaalsContact C-N 3.3Å; L24-Y26 PolarHBondContact O-N 3.5Å; L24-Q27 PolarHBondContact O-N 3.16Å; L24-L28 HydrophobicContact CD1-CD1 4.32Å; L24-L28 HydrophobicContact CD1-CG 4.34Å; L24-L28 HydrophobicContact CG-CD1 4.23Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 2.89Å
25T95.1Very high94.5Very high14 Ų1462.9 Ų62.99%0.08635%0.351CS..Hα-helixtrans-64.8-36.5178.154.70000111.9V21 L22 Q29 C183V21-T25 WeakPolarHBondContact O-CG2 3.48Å; V21-T25 PolarHBondContact O-N 2.86Å; V21-T25 PolarHBondContact O-OG1 2.88Å; L22-T25 WeakPolarHBondContact CA-OG1 3.27Å; L22-T25 PolarHBondContact O-OG1 3.44Å; T25-Q29 WeakPolarHBondContact O-CB 3.48Å; T25-Q29 PolarHBondContact O-N 3.3Å; T25-Q29 VanDerWaalsContact O-N 3.07Å; T25-C183 HydrophobicContact CG2-CB 3.66Å
26Y95.3Very high94.1Very high76 Ų7669.1 Ų69.130%0.29838%0.375SS..Hα-helixtrans-67.1-39.9173.8-176.7-97.6000112.4L22 A23 L24 Q29 L30 L38 M197 L199L22-Y26 WeakPolarHBondContact O-CB 3.38Å; L22-Y26 PolarHBondContact O-N 3.12Å; L22-Y26 VanDerWaalsContact O-N 3.14Å; A23-Y26 PolarHBondContact O-N 3.15Å; L24-Y26 VanDerWaalsContact C-N 3.3Å; L24-Y26 PolarHBondContact O-N 3.5Å; Y26-Q29 PolarHBondContact O-N 3.16Å; Y26-L30 HydrophobicContact CD1-CD1 3.97Å; Y26-L30 HydrophobicContact CE1-CD1 3.48Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.48Å; Y26-L30 HydrophobicContact CE1-CG 4.29Å; Y26-L30 WeakPolarHBondContact O-CG 3.26Å; Y26-L30 PolarHBondContact O-N 3.26Å; Y26-L30 VanDerWaalsContact O-N 3.16Å; Y26-L38 HydrophobicContact CD2-CD1 3.91Å; Y26-L38 HydrophobicContact CD2-CD2 3.93Å; Y26-L38 HydrophobicContact CE2-CB 4.35Å; Y26-L38 HydrophobicContact CE2-CD1 3.55Å; Y26-L38 HydrophobicContact CE2-CD2 3.94Å; Y26-L38 HydrophobicContact CE2-CG 4.16Å; Y26-M197 HydrophobicContact CD2-CE 3.24Å; Y26-M197 HydrophobicContact CE2-CE 3.75Å; Y26-M197 HydrophobicContact CG-CE 3.99Å; Y26-L199 HydrophobicContact CD2-CD1 4.38Å
27Q95.5Very high93.6Very high118 Ų11870 Ų7055%0.55137%0.369SS*.Hα-helixtrans-62.8-49.1175.3-178.9-178.3-32.800111.6A23 L24 Q29 L30 E31A23-Q27 PolarHBondContact O-N 3.06Å; L24-Q27 PolarHBondContact O-N 3.16Å; Q27-Q29 VanDerWaalsContact C-N 3.31Å; Q27-Q29 PolarHBondContact O-N 2.85Å; Q27-L30 PolarHBondContact O-N 2.61Å; Q27-L30 VanDerWaalsContact O-N 3.17Å; Q27-E31 PolarHBondContact O-N 3.14Å
28L95.2Very high93.2Very high58 Ų5866.9 Ų66.930%0.30435%0.349SS..Hα-helixtrans-63.4-35.8179.3-67.8172.8000112.3L24 E31 H32 V181L24-L28 HydrophobicContact CD1-CD1 4.32Å; L24-L28 HydrophobicContact CD1-CG 4.34Å; L24-L28 HydrophobicContact CG-CD1 4.23Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 2.89Å; L28-E31 PolarHBondContact O-N 3.5Å; L28-H32 PolarHBondContact O-N 2.96Å; L28-V181 HydrophobicContact CB-CG1 3.95Å; L28-V181 HydrophobicContact CB-CG2 4.48Å
29Q94Very high92.8Very high3 Ų368.4 Ų68.41%0.01435%0.354CS..Hα-helixtrans-60.7-46.9173.4-179.169.912.900111.2T25 Y26 Q27 E31 V33 G34 L38 V181 L199T25-Q29 WeakPolarHBondContact O-CB 3.48Å; T25-Q29 PolarHBondContact O-N 3.3Å; T25-Q29 VanDerWaalsContact O-N 3.07Å; Y26-Q29 PolarHBondContact O-N 3.16Å; Q27-Q29 VanDerWaalsContact C-N 3.31Å; Q27-Q29 PolarHBondContact O-N 2.85Å; Q29-E31 VanDerWaalsContact C-N 3.31Å; Q29-E31 PolarHBondContact O-N 3.46Å; Q29-V33 CarbonylContact O-C 3.56Å; Q29-V33 WeakPolarHBondContact O-CA 3.47Å; Q29-V33 WeakPolarHBondContact O-CB 3.3Å; Q29-V33 PolarHBondContact O-N 2.96Å; Q29-G34 PolarHBondContact O-N 3.12Å; Q29-L38 HydrophobicContact CB-CD1 4.39Å; Q29-L38 HydrophobicContact CG-CD1 3.79Å; Q29-L38 HydrophobicContact CG-CD2 4.14Å; Q29-L38 HydrophobicContact CG-CG 4.05Å; Q29-V181 HydrophobicContact CB-CG1 4.39Å; Q29-L199 HydrophobicContact CB-CD2 3.56Å; Q29-L199 HydrophobicContact CG-CD2 3.65Å
30L94.1Very high92.2Very high74 Ų7471.5 Ų71.539%0.38738%0.384SS..Hα-helixtrans-63.6-36.2177.4-71.6175.9000112.6Y26 Q27 L38Y26-L30 HydrophobicContact CD1-CD1 3.97Å; Y26-L30 HydrophobicContact CE1-CD1 3.48Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.48Å; Y26-L30 HydrophobicContact CE1-CG 4.29Å; Y26-L30 WeakPolarHBondContact O-CG 3.26Å; Y26-L30 PolarHBondContact O-N 3.26Å; Y26-L30 VanDerWaalsContact O-N 3.16Å; Q27-L30 PolarHBondContact O-N 2.61Å; Q27-L30 VanDerWaalsContact O-N 3.17Å; L30-L38 HydrophobicContact CD2-CD1 3.69Å; L30-L38 HydrophobicContact CG-CD1 4.05Å
31E95.1Very high91.7Very high126 Ų12670.4 Ų70.459%0.58938%0.381SS*.Hα-helixtrans-73.2-39.3-178.9-169.3179.115100113.4Q27 L28 Q29Q27-E31 PolarHBondContact O-N 3.14Å; L28-E31 PolarHBondContact O-N 3.5Å; Q29-E31 VanDerWaalsContact C-N 3.31Å; Q29-E31 PolarHBondContact O-N 3.46Å
32H92.8Very high91.1Very high75 Ų7568.1 Ų68.135%0.34737%0.367SS..Hα-helixtrans-107.5-16.8-170.7-61.8-28.8000115.5L28 R180 V181L28-H32 PolarHBondContact O-N 2.96Å; H32-R180 HydrophobicContact CB-CG 4.47Å; H32-R180 PolarHBondContact O-NH1 2.98Å; H32-V181 HydrophobicContact CB-CG2 3.96Å
33V90.5Very high90.2Very high62 Ų6271 Ų7138%0.37638%0.383SS..THydrogen-bonded Turntrans-131.4-34.7-175.8-170.60000111.9Q29 R180 V181Q29-V33 CarbonylContact O-C 3.56Å; Q29-V33 WeakPolarHBondContact O-CA 3.47Å; Q29-V33 WeakPolarHBondContact O-CB 3.3Å; Q29-V33 PolarHBondContact O-N 2.96Å; V33-R180 HydrophobicContact CG2-CB 4.39Å; V33-V181 HydrophobicContact CG2-CG2 4.26Å
34G90.6Very high88.9Confident20 Ų2074.6 Ų74.621%0.20640%0.395CS..  trans94.2-175.7-178.200000113.9Q29Q29-G34 PolarHBondContact O-N 3.12Å
35S89.5Confident87.9Confident78 Ų7876 Ų7655%0.54540%0.398SS..SBendtrans-86.2-2.5-169.955.30000116N37 L38S35-N37 VanDerWaalsContact C-N 3.31Å; S35-N37 PolarHBondContact O-N 2.89Å; S35-L38 PolarHBondContact O-N 2.88Å; S35-L38 VanDerWaalsContact O-N 3.11Å
36Q85Confident87.3Confident176 Ų17678.6 Ų78.682%0.82241%0.414SS*.THydrogen-bonded Turntrans-61.8-34.8-165.7-55.3-172.353.900113.9
37N82.8Confident87Confident98 Ų9878.2 Ų78.252%0.52442%0.419SS..THydrogen-bonded Turntrans-96.9-0.4-178-60.5-10000113.1S35S35-N37 VanDerWaalsContact C-N 3.31Å; S35-N37 PolarHBondContact O-N 2.89Å
38L88.4Confident86.7Confident25 Ų2578.5 Ų78.513%0.13142%0.423CS..  trans-92.5131.5-171.4-75.7172.4000112.1Y26 Q29 L30 S35 M197 L199Y26-L38 HydrophobicContact CD2-CD1 3.91Å; Y26-L38 HydrophobicContact CD2-CD2 3.93Å; Y26-L38 HydrophobicContact CE2-CB 4.35Å; Y26-L38 HydrophobicContact CE2-CD1 3.55Å; Y26-L38 HydrophobicContact CE2-CD2 3.94Å; Y26-L38 HydrophobicContact CE2-CG 4.16Å; Q29-L38 HydrophobicContact CB-CD1 4.39Å; Q29-L38 HydrophobicContact CG-CD1 3.79Å; Q29-L38 HydrophobicContact CG-CD2 4.14Å; Q29-L38 HydrophobicContact CG-CG 4.05Å; L30-L38 HydrophobicContact CD2-CD1 3.69Å; L30-L38 HydrophobicContact CG-CD1 4.05Å; S35-L38 PolarHBondContact O-N 2.88Å; S35-L38 VanDerWaalsContact O-N 3.11Å; L38-M197 WeakPolarHBondContact CA-O 3.4Å; L38-M197 WeakPolarHBondContact CD2-O 3.31Å; L38-L199 HydrophobicContact CD2-CD1 4.42Å; L38-L199 HydrophobicContact CD2-CD2 3.74Å; L38-L199 HydrophobicContact CD2-CG 3.73Å
39K87.2Confident86.5Confident59 Ų5979.5 Ų79.526%0.25743%0.426SS..  trans-92.8124.3176.5-55.8-165.5-176-171.50111F4 D43 Q196 M197 D252F4-K39 HydrophobicContact CE2-CB 4.4Å; F4-K39 VanDerWaalsContact CE2-O 3.31Å; F4-K39 WeakPolarHBondContact CE2-O 3.23Å; K39-D43 IonicContact NZ-OD2 3.06Å; K39-D43 PolarHBondContact NZ-OD2 3.17Å; K39-Q196 WeakPolarHBondContact CD-O 3.18Å; K39-M197 PolarHBondContact N-O 3.28Å; K39-D252 PolarHBondContact NZ-O 3.42Å
40A84.6Confident86.2Confident91 Ų9182.2 Ų82.275%0.75245%0.445SS*.SBendtrans-75.1-28.6175.900000112.9
41E86.1Confident85.9Confident127 Ų12781 Ų8159%0.59344%0.441SS*.SBendtrans-133.9148.2175.7-57-158.2132.200110.2K7K7-E41 IonicContact NZ-OE1 2.71Å; K7-E41 PolarHBondContact NZ-OE1 3.33Å
42P83.7Confident85.5Confident14 Ų1482.9 Ų82.99%0.09145%0.45CS..  trans-73.2131.9178.628.3-32.8000111.3F4 K7 T8 L44F4-P42 HydrophobicContact CE1-CB 4.02Å; F4-P42 HydrophobicContact CE1-CG 4.49Å; F4-P42 HydrophobicContact CE2-CB 4.28Å; F4-P42 HydrophobicContact CZ-CB 3.69Å; F4-P42 HydrophobicContact CZ-CG 4.3Å; K7-P42 HydrophobicContact CB-CG 3.7Å; T8-P42 HydrophobicContact CG2-CB 4.14Å; T8-P42 HydrophobicContact CG2-CG 4.3Å; P42-L44 HydrophobicContact CG-CD2 4.43Å; P42-L44 PolarHBondContact O-N 2.93Å
43D76.8Confident85.2Confident62 Ų6286.4 Ų86.433%0.33246%0.46SS..  trans-65.597.6168.3-82.9-53.4000109.8K39 K45K39-D43 IonicContact NZ-OD2 3.06Å; K39-D43 PolarHBondContact NZ-OD2 3.17Å; D43-K45 HydrophobicContact CB-CD 4.44Å; D43-K45 HydrophobicContact CB-CG 4.48Å; D43-K45 PolarHBondContact O-N 2.92Å
44L68.1Low85.1Confident117 Ų11785.6 Ų85.661%0.61345%0.452SS*.  trans-73.546179.6-65.4176.8000113.4P42 V46P42-L44 HydrophobicContact CG-CD2 4.43Å; P42-L44 PolarHBondContact O-N 2.93Å; L44-V46 VanDerWaalsContact C-N 3.3Å; L44-V46 PolarHBondContact O-N 2.91Å
45K76.4Confident84.9Confident123 Ų12386 Ų8654%0.53545%0.451SS..  trans-76.780.4171.9-67173.5-175.5166.50109D43 I255D43-K45 HydrophobicContact CB-CD 4.44Å; D43-K45 HydrophobicContact CB-CG 4.48Å; D43-K45 PolarHBondContact O-N 2.92Å; K45-I255 PolarHBondContact O-N 2.94Å
46V82.3Confident84.8Confident69 Ų6987.2 Ų87.242%0.41845%0.448SS..EExtended strand (participates in β ladder)trans-90.7111.9178.9-175.70000110.6L44 I255 M257L44-V46 VanDerWaalsContact C-N 3.3Å; L44-V46 PolarHBondContact O-N 2.91Å; V46-I255 CarbonylContact C-O 3.56Å; V46-I255 VanDerWaalsContact CA-O 3.29Å; V46-I255 WeakPolarHBondContact CA-O 3.13Å; V46-M257 HydrophobicContact CG1-CE 4.21Å; V46-M257 HydrophobicContact CG1-CG 4.28Å; V46-M257 HydrophobicContact CG1-SD 4.31Å
47T88.3Confident84.9Confident67 Ų6779.6 Ų79.641%0.41142%0.416SS..EExtended strand (participates in β ladder)trans-98.6127.6173.4-500000110.1Q49 I255 Q256 M257T47-Q49 HydrophobicContact CG2-CG 4.47Å; T47-I255 PolarHBondContact N-O 3.34Å; T47-Q256 CarbonylContact O-C 3.55Å; T47-Q256 WeakPolarHBondContact O-CA 3.33Å; T47-M257 PolarHBondContact O-N 3.11Å
48I90.1Very high84.9Confident124 Ų12476.4 Ų76.464%0.63640%0.4SS*.EExtended strand (participates in β ladder)trans-95.7110.5175.2-61.9173.9000108.3F259I48-F259 HydrophobicContact CG1-CE2 4.21Å; I48-F259 HydrophobicContact CG2-CD2 3.56Å; I48-F259 HydrophobicContact CG2-CE2 3.89Å; I48-F259 HydrophobicContact CG2-CG 4.43Å
49Q89.4Confident84.6Confident79 Ų7976.5 Ų76.537%0.36940%0.402SS..EExtended strand (participates in β ladder)trans-99.1157.5167.9-68.6-172.43.400110.1T47 M257 H258 F259T47-Q49 HydrophobicContact CG2-CG 4.47Å; Q49-M257 PolarHBondContact N-O 3.48Å; Q49-M257 VanDerWaalsContact O-O 3.09Å; Q49-H258 PolarHBondContact OE1-CE1 3.35Å; Q49-H258 PolarHBondContact OE1-ND1 3.35Å; Q49-F259 PolarHBondContact O-N 3.48Å
50S88.8Confident84Confident60 Ų6080.9 Ų80.942%0.4242%0.423SS..EExtended strand (participates in β ladder)trans-132.5137.4178.6-168.90000112.6F259 K261S50-F259 CarbonylContact C-O 3.56Å; S50-F259 VanDerWaalsContact CA-O 3.23Å; S50-F259 WeakPolarHBondContact CA-O 3.37Å; S50-F259 PolarHBondContact OG-O 3.03Å; S50-K261 WeakPolarHBondContact OG-CD 3.48Å; S50-K261 WeakPolarHBondContact OG-CE 3.13Å; S50-K261 VanDerWaalsContact OG-CG 3.24Å; S50-K261 WeakPolarHBondContact OG-CG 3.38Å
51T87.3Confident83.9Confident48 Ų4880.7 Ų80.729%0.29441%0.408SS..EExtended strand (participates in β ladder)trans-125.7149.9-178.9-174.60000110.7R53 F259 S260 K261T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 HydrophobicContact CG2-CB 4.41Å; T51-R53 PolarHBondContact OG1-N 3.45Å; T51-R53 VanDerWaalsContact OG1-N 3.16Å; T51-F259 PolarHBondContact N-O 3.03Å; T51-S260 CarbonylContact O-C 3.57Å; T51-S260 WeakPolarHBondContact O-CA 3.38Å; T51-K261 PolarHBondContact O-N 3.38Å
52Q86.6Confident83.7Confident167 Ų16777.1 Ų77.178%0.7840%0.4SS*.SBendtrans-82.8-12.6168.5-59.7-158.329.700112.7N262Q52-N262 PolarHBondContact O-ND2 3.03Å
53R85.8Confident83.7Confident148 Ų14878.7 Ų78.756%0.55842%0.419SS*.SBendtrans-68141.9-179.2-62.6-175.4-177.2-1741.9111T51 S260T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 HydrophobicContact CG2-CB 4.41Å; T51-R53 PolarHBondContact OG1-N 3.45Å; T51-R53 VanDerWaalsContact OG1-N 3.16Å; R53-S260 WeakPolarHBondContact O-CB 3.37Å; R53-S260 PolarHBondContact O-OG 3.37Å
54H88.4Confident84Confident46 Ų4681.8 Ų81.821%0.21343%0.43CS..  trans-70.6142.3175.1-169.5-106.8000110.9E56 A57 V265H54-E56 IonicContact CE1-OE2 3.6Å; H54-E56 PolarHBondContact ND1-N 2.84Å; H54-E56 PolarHBondContact O-N 3.47Å; H54-E56 VanDerWaalsContact O-N 3.11Å; H54-A57 WeakPolarHBondContact O-CB 3.42Å; H54-A57 PolarHBondContact O-N 3.38Å; H54-V265 VanDerWaalsContact CD2-CG2 3.45Å; H54-V265 WeakPolarHBondContact CD2-CG2 3.38Å
55P87.2Confident84.8Confident28 Ų2881.5 Ų81.518%0.18243%0.425CS..THydrogen-bonded Turntrans-64.9-13.6-179.2-24.435.2000116K244 V265P55-K244 HydrophobicContact CB-CB 4.33Å; P55-K244 WeakPolarHBondContact CB-O 3.35Å; P55-V265 VanDerWaalsContact CD-CG2 3.41Å; P55-V265 HydrophobicContact CG-CG2 4Å
56E87.4Confident84.9Confident104 Ų10479.7 Ų79.749%0.48642%0.421SS..THydrogen-bonded Turntrans-97.27.7172-57.7-172.7128.700113H54 R347H54-E56 IonicContact CE1-OE2 3.6Å; H54-E56 PolarHBondContact ND1-N 2.84Å; H54-E56 PolarHBondContact O-N 3.47Å; H54-E56 VanDerWaalsContact O-N 3.11Å; E56-R347 IonicContact OE1-CZ 2.59Å; E56-R347 IonicContact OE1-NH1 3.22Å; E56-R347 PolarHBondContact OE1-NH1 3.19Å; E56-R347 IonicContact OE1-NH2 2.78Å; E56-R347 PolarHBondContact OE1-NH2 3.37Å; E56-R347 IonicContact OE2-NH1 3.38Å; E56-R347 PolarHBondContact OE2-NH1 2.96Å
57A86.4Confident84.6Confident16 Ų1681 Ų8113%0.13243%0.431CS..SBendtrans-64.7138.817300000110.7H54 V59 F108H54-A57 WeakPolarHBondContact O-CB 3.42Å; H54-A57 PolarHBondContact O-N 3.38Å; A57-V59 HydrophobicContact CB-CG2 4.2Å; A57-V59 PolarHBondContact O-N 3.1Å; A57-F108 HydrophobicContact CB-CZ 4.35Å
58P84Confident83.4Confident31 Ų3182.5 Ų82.520%0.20144%0.444CS..  trans-79.656.6-173.334.7-37.8000112.3I61 F64P58-I61 HydrophobicContact CB-CB 4.46Å; P58-I61 HydrophobicContact CB-CD1 3.7Å; P58-I61 HydrophobicContact CB-CG1 4.21Å; P58-F64 HydrophobicContact CB-CB 4.26Å; P58-F64 HydrophobicContact CB-CD1 3.71Å; P58-F64 HydrophobicContact CB-CE1 4.2Å; P58-F64 HydrophobicContact CB-CG 3.95Å; P58-F64 HydrophobicContact CG-CD1 3.71Å; P58-F64 HydrophobicContact CG-CE1 4.26Å; P58-F64 HydrophobicContact CG-CG 4.34Å
59V81.1Confident81.7Confident27 Ų2787.2 Ų87.216%0.16445%0.454CS..THydrogen-bonded Turntrans-82.6134.8174.2-162.50000108.5A57A57-V59 HydrophobicContact CB-CG2 4.2Å; A57-V59 PolarHBondContact O-N 3.1Å
60H75.7Confident79.6Confident150 Ų15088.9 Ų88.969%0.69447%0.469SS*.THydrogen-bonded Turntrans61.739-174.8-49.5-68.3000113.5R213H60-R213 PolarHBondContact NE2-NH1 2.98Å
61I83.1Confident77.4Confident88 Ų8896.2 Ų96.245%0.45149%0.488SS..  trans-113.1115.6167.7-53.5-171.3000107.1P58 F64P58-I61 HydrophobicContact CB-CB 4.46Å; P58-I61 HydrophobicContact CB-CD1 3.7Å; P58-I61 HydrophobicContact CB-CG1 4.21Å; I61-F64 HydrophobicContact CB-CB 4.4Å; I61-F64 HydrophobicContact CB-CD2 4.04Å; I61-F64 HydrophobicContact CB-CG 4.44Å; I61-F64 HydrophobicContact CG2-CD2 3.58Å; I61-F64 HydrophobicContact CG2-CE2 4.03Å; I61-F64 HydrophobicContact CG2-CG 4.45Å; I61-F64 WeakPolarHBondContact O-CB 3.34Å; I61-F64 PolarHBondContact O-N 2.7Å; I61-F64 VanDerWaalsContact O-N 3.12Å
62A81.4Confident74.9Confident52 Ų52100 Ų10043%0.4351%0.511SS..THydrogen-bonded Turntrans-57.4141.917800000111.4F64 I158 V166A62-F64 PolarHBondContact O-N 3.17Å; A62-I158 HydrophobicContact CB-CD1 4.12Å; A62-I158 HydrophobicContact CB-CG1 4.48Å; A62-V166 HydrophobicContact CB-CB 4.48Å; A62-V166 HydrophobicContact CB-CG1 3.41Å; A62-V166 VanDerWaalsContact CB-CG1 3.41Å; A62-V166 HydrophobicContact CB-CG2 4.32Å
63G82.8Confident72.7Confident47 Ų47101.8 Ų101.849%0.48552%0.516SS..THydrogen-bonded Turntrans75.40.7-174.200000115.4
64F84Confident70.2Confident127 Ų12799.3 Ų99.356%0.55753%0.527SS*.  trans-101.691.7167-81.1-102.2000110P58 I61 A62 L66P58-F64 HydrophobicContact CB-CB 4.26Å; P58-F64 HydrophobicContact CB-CD1 3.71Å; P58-F64 HydrophobicContact CB-CE1 4.2Å; P58-F64 HydrophobicContact CB-CG 3.95Å; P58-F64 HydrophobicContact CG-CD1 3.71Å; P58-F64 HydrophobicContact CG-CE1 4.26Å; P58-F64 HydrophobicContact CG-CG 4.34Å; I61-F64 HydrophobicContact CB-CB 4.4Å; I61-F64 HydrophobicContact CB-CD2 4.04Å; I61-F64 HydrophobicContact CB-CG 4.44Å; I61-F64 HydrophobicContact CG2-CD2 3.58Å; I61-F64 HydrophobicContact CG2-CE2 4.03Å; I61-F64 HydrophobicContact CG2-CG 4.45Å; I61-F64 WeakPolarHBondContact O-CB 3.34Å; I61-F64 PolarHBondContact O-N 2.7Å; I61-F64 VanDerWaalsContact O-N 3.12Å; A62-F64 PolarHBondContact O-N 3.17Å; F64-L66 WeakPolarHBondContact O-CD1 3.34Å; F64-L66 PolarHBondContact O-N 3.07Å
65H83.4Confident67.5Low111 Ų111100.9 Ų100.951%0.51456%0.556SS.*  trans-69.2128.3171.1-177.9-138.2000110.6
66L79.1Confident64.9Low84 Ų84105.3 Ų105.344%0.4459%0.587SS.*  trans-115.1100.5167.6-77.985.3000107.5F64 S68F64-L66 WeakPolarHBondContact O-CD1 3.34Å; F64-L66 PolarHBondContact O-N 3.07Å; L66-S68 PolarHBondContact O-N 3Å; L66-S68 VanDerWaalsContact O-N 3.13Å
67P75.8Confident62.1Low97 Ų97104 Ų10463%0.6360%0.603SS**  trans-59.5121.5-175.922.8-33.4000110.2R69P67-R69 PolarHBondContact O-N 3.38Å
68S63.7Low59.3Low98 Ų98109.5 Ų109.569%0.68564%0.64SS**  trans-74.5122.7168.994.40000107.3L66 V70L66-S68 PolarHBondContact O-N 3Å; L66-S68 VanDerWaalsContact O-N 3.13Å; S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.88Å
69R53.4Low56.5Low223 Ų223111.5 Ų111.584%0.84267%0.666SS**  trans-67.895.5171-91-173.1170.9172.8-2.6108.1P67 R71P67-R69 PolarHBondContact O-N 3.38Å; R69-R71 PolarHBondContact O-N 3.14Å; R69-R71 VanDerWaalsContact O-N 3.1Å
70V46.3Very low54.2Low115 Ų115116.7 Ų116.770%0.69770%0.7SS**  trans-56.5115.5161.4179.60000106.5S68 T72S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.88Å; V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 3.29Å
71R42.3Very low51.8Low214 Ų214113.2 Ų113.281%0.80871%0.705SS**  trans-7092.4170-89.7-177.8155.1-174.8-5.6107.4R69 K73R69-R71 PolarHBondContact O-N 3.14Å; R69-R71 VanDerWaalsContact O-N 3.1Å; R71-K73 PolarHBondContact O-N 3.3Å
72T35.5Very low49.1Very low126 Ų126115.3 Ų115.377%0.77373%0.727SS**  trans-54.2111.2164.543.80000108V70 A74V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 3.29Å; T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 2.8Å
73K39.4Very low46.4Very low205 Ų205115.7 Ų115.789%0.89174%0.736SS**  trans-68.695172.7-77.7-177.8176.4176.80107.6R71 G75R71-K73 PolarHBondContact O-N 3.3Å; K73-G75 PolarHBondContact O-N 3.34Å
74A34.4Very low43.8Very low97 Ų97121.6 Ų121.680%0.80276%0.757SS**  trans-54.4127.3167.600000108.8T72 S76T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 2.8Å; A74-S76 PolarHBondContact O-N 2.95Å
75G32.2Very low41Very low79 Ų79119 Ų11981%0.81477%0.766SS**  trans-64.6131.6-166.700000113.3K73 G77K73-G75 PolarHBondContact O-N 3.34Å; G75-G77 PolarHBondContact O-N 3.27Å
76S31.3Very low39Very low120 Ų120119.8 Ų119.884%0.83978%0.781SS**  trans-76.1114.6167.554.70000110.2A74A74-S76 PolarHBondContact O-N 2.95Å
77G28.6Very low36.4Very low78 Ų78122.2 Ų122.280%0.80480%0.799SS**  trans-61146166.300000111.9G75G75-G77 PolarHBondContact O-N 3.27Å
78S27.5Very low34Very low131 Ų131120.6 Ų120.692%0.91680%0.8SS**  trans-77.9145.9-168.950.20000115.8
79G25.7Very low32.4Very low72 Ų72121.7 Ų121.774%0.74281%0.805SS**  trans-168.7123165.800000111.1
80P32.7Very low31.2Very low136 Ų136117.8 Ų117.888%0.88381%0.806SS**  trans-111.9161.1-158.240.3-35.8000117.7
81G25Very low30.4Very low78 Ų78121.1 Ų121.180%0.80481%0.814SS**  trans107.2146.4158.500000115.4
82S25.9Very low29.8Very low131 Ų131119.6 Ų119.692%0.91682%0.816SS**  cis-166.4152.1-13.2-169.70000108.9
83G24.4Very low29.5Very low60 Ų60119.3 Ų119.362%0.61982%0.816SS**  trans120.896.5158.300000119.5
84N29.7Very low28.9Very low172 Ų172116.8 Ų116.892%0.9281%0.813SS**  trans61.3118.3140.5-55.8-8.1000122
85G24.9Very low28.7Very low72 Ų72120.2 Ų120.274%0.74282%0.815SS**  trans-92.6-150.7153.100000111.5
86P40.7Very low28.8Very low127 Ų127121.2 Ų121.283%0.82581%0.808SS**  cis-109.6-164.3-1.733.2-13.3000110.8
87T25.2Very low29Very low135 Ų135120.8 Ų120.883%0.82881%0.811SS**  cis-135.4-154.916.256.90000112.2
88G25Very low29Very low64 Ų64121.6 Ų121.666%0.6681%0.805SS**  trans-116.3-158.5-17900000114.3
89P30.8Very low29.5Very low121 Ų121121.1 Ų121.179%0.78680%0.801SS**  cis-123.2152.213.139.9-26.3000117
90V27.5Very low29.6Very low141 Ų141126.5 Ų126.586%0.85581%0.807SS**  trans16.6111.2149.1-168.80000118.6
91Q28.8Very low30Very low185 Ų185126 Ų12686%0.86480%0.802SS**  trans-119.2145.1151.6-72.3-179.9-0.900109.4
92Q29.9Very low30.3Very low181 Ų181127.9 Ų127.985%0.84679%0.793SS**PPolyproline II helixtrans-71.8146.8177.1-72174.9-15.500110.5D94Q92-D94 PolarHBondContact O-N 3.32Å
93P30.7Very low30.9Very low121 Ų121129.4 Ų129.479%0.78679%0.786SS**PPolyproline II helixtrans-77.5126.7-169.129.6-34.6000113.2
94D25.5Very low31.4Very low152 Ų152132.6 Ų132.681%0.81379%0.789SS**PPolyproline II helixtrans-59.5139.9164.5-68.9-64000111.6Q92 P96Q92-D94 PolarHBondContact O-N 3.32Å; D94-P96 WeakPolarHBondContact O-CD 3.49Å
95I31.4Very low31.7Very low168 Ų168133.5 Ų133.586%0.86279%0.785SS**  trans-87.9114.5170.9-60.2173.5000107.9
96P32.7Very low32.2Very low101 Ų101132.6 Ų132.666%0.65677%0.767SS**  trans-72.8136-177.328.9-34.1000111.3D94 S98D94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-S98 PolarHBondContact O-N 3.47Å
97A36.6Very low32Very low110 Ų110129 Ų12991%0.90975%0.746SS**  trans-71.4109.2165.600000109.4
98S28.1Very low32.7Very low96 Ų96129.4 Ų129.467%0.67174%0.736SS**  trans-108.7118.2167.552.90000109.8P96P96-S98 PolarHBondContact O-N 3.47Å
99S37.8Very low33.3Very low120 Ų120136 Ų13684%0.83974%0.741SS**  trans-96.591.6-178.352.20000111
100E28.4Very low33.8Very low185 Ų185138.4 Ų138.486%0.86474%0.739SS**  trans-130.6145.8167.3-66.7-171.6174.100110D102E100-D102 PolarHBondContact O-N 2.88Å
101T41.4Very low34.5Very low127 Ų127141.4 Ų141.478%0.77974%0.735SS**  trans-92.696.8-156.546.30000113.5
102D30.9Very low35Very low116 Ų116143.4 Ų143.462%0.6274%0.735SS**  trans-98.173.7164.1-82.6-30.9000110.6E100 D104 F105E100-D102 PolarHBondContact O-N 2.88Å; D102-D104 PolarHBondContact O-N 3.45Å; D102-F105 HydrophobicContact CB-CB 4.47Å
103E37.8Very low35.6Very low163 Ų163141.7 Ų141.776%0.76273%0.732SS**THydrogen-bonded Turntrans-62.8-31177.6-64.4-154.4121.900112.2S106E103-S106 PolarHBondContact O-N 3.21Å; E103-S106 PolarHBondContact O-OG 2.99Å
104D36Very low36.3Very low128 Ų128141.8 Ų141.868%0.68473%0.732SS**G310 helixtrans-71.8-36.1-176.6-78.7-41.2000114.3D102 S106 S107D102-D104 PolarHBondContact O-N 3.45Å; D104-S106 PolarHBondContact O-N 3.37Å; D104-S107 WeakPolarHBondContact O-CB 3.32Å; D104-S107 PolarHBondContact O-N 3.5Å; D104-S107 PolarHBondContact O-OG 2.75Å
105F34.8Very low37.4Very low191 Ų191139.7 Ų139.784%0.83873%0.725SS**G310 helixtrans-76.1-10.5-179.9-145.3-100.1000112.9D102 S107D102-F105 HydrophobicContact CB-CB 4.47Å; F105-S107 VanDerWaalsContact C-N 3.3Å
106S35.7Very low38.2Very low53 Ų53137 Ų13737%0.37172%0.718SS.*G310 helixtrans-84.8-3.1167.790.80000113.4E103 D104 F108 K264E103-S106 PolarHBondContact O-N 3.21Å; E103-S106 PolarHBondContact O-OG 2.99Å; D104-S106 PolarHBondContact O-N 3.37Å; S106-F108 PolarHBondContact O-N 3.11Å; S106-K264 PolarHBondContact O-NZ 2.89Å; S106-K264 PolarHBondContact OG-NZ 2.87Å
107S36.5Very low39.1Very low52 Ų52136.1 Ų136.136%0.36471%0.714SS.*  trans-80.184.8178.978.90000110.8D104 F105 R109D104-S107 WeakPolarHBondContact O-CB 3.32Å; D104-S107 PolarHBondContact O-N 3.5Å; D104-S107 PolarHBondContact O-OG 2.75Å; F105-S107 VanDerWaalsContact C-N 3.3Å; S107-R109 PolarHBondContact O-N 3.35Å
108F40.1Very low40Very low142 Ų142134.9 Ų134.962%0.62370%0.695SS**  trans-59.785.3161.8-87.1-101.6000109.5A57 S106 F110A57-F108 HydrophobicContact CB-CZ 4.35Å; S106-F108 PolarHBondContact O-N 3.11Å; F108-F110 PolarHBondContact O-N 3.41Å
109R38.2Very low41.3Very low204 Ų204136 Ų13677%0.7769%0.694SS**  trans-72.863.1174.5-71.6-177175.2-177.2-2110.5S107 W111S107-R109 PolarHBondContact O-N 3.35Å; R109-W111 PolarHBondContact O-N 2.76Å
110F41.8Very low42Very low171 Ų171137.1 Ų137.175%0.7569%0.686SS**  trans-72.313.6175.4-167.5-101.4000113.4F108F108-F110 PolarHBondContact O-N 3.41Å
111W41.5Very low43.2Very low203 Ų203134 Ų13477%0.76968%0.675SS**SBendtrans-129.2103169.5-53.698000106.4R109R109-W111 PolarHBondContact O-N 2.76Å
112R39.1Very low43.9Very low227 Ų227133.1 Ų133.186%0.85767%0.665SS**PPolyproline II helixtrans-65.3133.9162-84.5-173.8163.8113.8-4107.7
113D43Very low45Very low146 Ų146133 Ų13378%0.78166%0.664SS**PPolyproline II helixtrans-57147.6150.4-70-55.9000108.4V115D113-V115 PolarHBondContact O-N 3.16Å
114P44.5Very low45.9Very low122 Ų122131 Ų13179%0.79266%0.659SS**PPolyproline II helixtrans-53.9130.5-17823.1-33.4000110
115V48.7Very low46.8Very low108 Ų108131.7 Ų131.766%0.65566%0.661SS**PPolyproline II helixtrans-54.7132.9177.6-158.70000107.7D113 S117D113-V115 PolarHBondContact O-N 3.16Å; V115-S117 PolarHBondContact O-N 3.38Å
116P49Very low47.4Very low113 Ų113129 Ų12973%0.73466%0.655SS**PPolyproline II helixtrans-54.1140.4171.722.4-32.5000109.6V118P116-V118 PolarHBondContact O-N 2.89Å
117S51.6Low47.6Very low81 Ų81133.6 Ų133.657%0.56668%0.675SS**PPolyproline II helixtrans-64.1116.7-177.645.90000110.2V115 D119V115-S117 PolarHBondContact O-N 3.38Å; S117-D119 PolarHBondContact O-N 3.17Å
118V54.2Low48Very low85 Ų85137.5 Ų137.552%0.51570%0.697SS.*THydrogen-bonded Turntrans-75.817.2179.6-1570000111.7P116 Q120 L122P116-V118 PolarHBondContact O-N 2.89Å; V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.71Å; V118-L122 HydrophobicContact CG1-CD1 4.43Å; V118-L122 WeakPolarHBondContact O-CB 3.3Å
119D56.3Low47.8Very low119 Ų119134.3 Ų134.364%0.63670%0.703SS**THydrogen-bonded Turntrans-82.3-8.9-169.8-57-39.5000113.4S117S117-D119 PolarHBondContact O-N 3.17Å
120Q53.2Low47.3Very low143 Ų143128.4 Ų128.467%0.66871%0.707SS**THydrogen-bonded Turntrans-98.4-57.9179.3-73.3173.7-19.400110.9V118 L122 L123 D124V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.71Å; Q120-L122 PolarHBondContact O-N 3.23Å; Q120-L122 VanDerWaalsContact O-N 3.09Å; Q120-L123 WeakPolarHBondContact O-CB 3.41Å; Q120-L123 PolarHBondContact O-N 3.17Å; Q120-D124 PolarHBondContact O-N 2.93Å
121D52.5Low46.6Very low121 Ų121125.6 Ų125.665%0.64772%0.715SS**Hα-helixtrans-57.9-27.9178.8-51.6-7.7000113.5
122L55.6Low45.9Very low108 Ų108121 Ų12157%0.56571%0.714SS**Hα-helixtrans-83.2-18.7176.7-137.893.7000113.6V118 Q120 L126V118-L122 HydrophobicContact CG1-CD1 4.43Å; V118-L122 WeakPolarHBondContact O-CB 3.3Å; Q120-L122 PolarHBondContact O-N 3.23Å; Q120-L122 VanDerWaalsContact O-N 3.09Å; L122-L126 WeakPolarHBondContact O-CG 3.32Å
123L54.9Low45.4Very low114 Ų114115 Ų11560%0.59771%0.707SS**Hα-helixtrans-80.6-40.7176.5-121.767.3000110.7Q120 L125 L126Q120-L123 WeakPolarHBondContact O-CB 3.41Å; Q120-L123 PolarHBondContact O-N 3.17Å; L123-L125 PolarHBondContact O-N 2.92Å; L123-L126 PolarHBondContact O-N 2.6Å
124D56.1Low44.6Very low121 Ų121117.2 Ų117.265%0.64771%0.712SS**Hα-helixtrans-63.8-25.4178.9-68.6-7.3000112.6Q120 L126Q120-D124 PolarHBondContact O-N 2.93Å; D124-L126 VanDerWaalsContact C-N 3.33Å
125L55.3Low43.9Very low141 Ų141118 Ų11874%0.73871%0.714SS**THydrogen-bonded Turntrans-79.4-9.6173.8-70.7172.8000114.2L123L123-L125 PolarHBondContact O-N 2.92Å
126L47.3Very low42.9Very low136 Ų136121.3 Ų121.371%0.71272%0.723SS**THydrogen-bonded Turntrans-101.9-12.6-179-68.3171.9000113.7L122 L123 D124L122-L126 WeakPolarHBondContact O-CG 3.32Å; L123-L126 PolarHBondContact O-N 2.6Å; D124-L126 VanDerWaalsContact C-N 3.33Å
127D40.9Very low42Very low148 Ų148124.4 Ų124.479%0.79173%0.727SS**SBendtrans-88.7-9.1-178.7-156.138.1000113.7G129D127-G129 VanDerWaalsContact C-N 3.26Å; D127-G129 PolarHBondContact O-N 3.28Å; D127-G129 VanDerWaalsContact O-N 3.09Å
128V43.7Very low40.9Very low135 Ų135131.3 Ų131.382%0.81874%0.741SS**  trans-89.958.5177.2-163.30000111.2
129G35.5Very low39.5Very low74 Ų74131.3 Ų131.376%0.76376%0.758SS**  trans-96.2106.2-179.500000114.6D127D127-G129 VanDerWaalsContact C-N 3.26Å; D127-G129 PolarHBondContact O-N 3.28Å; D127-G129 VanDerWaalsContact O-N 3.09Å
130G28.9Very low38.1Very low81 Ų81130.7 Ų130.784%0.83577%0.77SS**  trans112.2105.8141.900000119.3
131A26.5Very low36.7Very low111 Ų111127.5 Ų127.592%0.91778%0.775SS**  trans-147.3155.9144.800000109.2
132S26.7Very low36Very low108 Ų108128 Ų12876%0.75579%0.785SS**  trans-112.5154.2-155.9-166.30000115.1
133S28.1Very low34.7Very low101 Ų101126.3 Ų126.371%0.70679%0.793SS**  trans60.7121.4150.7-57.80000120
134Q26.3Very low33.3Very low192 Ų192129.3 Ų129.390%0.89781%0.809SS**  -176.7159.798.2-96.5-179.50.200112.3
135V31.6Very low32.1Very low138 Ų138127.5 Ų127.584%0.83681%0.811SS**  trans-102.4133174.6174.30000108.3
136E27.4Very low30.8Very low178 Ų178128 Ų12883%0.83281%0.814SS**  trans-145.4147.2150.3-85.4-129.6151.700110.7
137E29.8Very low29.9Very low177 Ų177128.8 Ų128.883%0.82782%0.819SS**  trans-113136.1179.7-178.3-165.2-164.700108.6
138R27.2Very low29.5Very low226 Ų226129.1 Ų129.185%0.85382%0.816SS**  trans-174.7133.2160.9-105152.4-153.9-90.53.8114.7
139G25Very low28.9Very low85 Ų85126.4 Ų126.488%0.87680%0.803SS**  trans91.7126.3133.100000118.5
140A26.8Very low28.9Very low107 Ų107129.3 Ų129.388%0.88480%0.801SS**  trans-101.4137.5-172.200000115.9
141G25.4Very low29.4Very low75 Ų75130.7 Ų130.777%0.77379%0.789SS**  trans76174.3140.200000120.2
142P37.5Very low30.4Very low132 Ų132133.9 Ų133.986%0.85779%0.785SS**  cis-136.1153-25.138.5-22.9000115.3
143G27Very low31.7Very low72 Ų72135.3 Ų135.374%0.74278%0.784SS**  trans85.7129.5151.300000118.8
144L26.8Very low32.9Very low178 Ų178136 Ų13693%0.93278%0.78SS**  -176.3138.8125.7-99.5166.8000111.6
145A30.2Very low34.7Very low82 Ų82133 Ų13368%0.67877%0.77SS**  trans57.8106164.700000119.2N147A145-N147 PolarHBondContact O-N 3.12Å
146D28.3Very low36.7Very low151 Ų151128.3 Ų128.381%0.80775%0.75SS**  trans-54.2102.7144.2-85.6-50000109.1Q148D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 3.16Å
147N28.6Very low39.4Very low154 Ų154128 Ų12882%0.82474%0.741SS**  trans-82.190.9150-91.5-13.7000106.4A145 S149A145-N147 PolarHBondContact O-N 3.12Å; N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 PolarHBondContact O-N 3.2Å
148Q32.9Very low42.1Very low155 Ų155123.3 Ų123.372%0.72472%0.721SS**  trans-66.291.5165.6-160.4144.993.600106.6D146 D150D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 3.16Å; Q148-D150 PolarHBondContact O-N 2.96Å; Q148-D150 VanDerWaalsContact O-N 3.16Å
149S30.3Very low45.1Very low77 Ų77114.9 Ų114.954%0.53870%0.695SS.*  trans-67.1107.516345.80000106.4N147 D151N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 PolarHBondContact O-N 3.2Å; S149-D151 VanDerWaalsContact CB-OD2 3.29Å; S149-D151 WeakPolarHBondContact CB-OD2 3.24Å; S149-D151 PolarHBondContact O-N 2.8Å; S149-D151 PolarHBondContact OG-OD2 2.9Å
150D36.6Very low48.3Very low136 Ų136116.7 Ų116.773%0.72769%0.691SS**  trans-68.479.5163-74.1-38.1000107.1Q148 E152Q148-D150 PolarHBondContact O-N 2.96Å; Q148-D150 VanDerWaalsContact O-N 3.16Å; D150-E152 PolarHBondContact O-N 3.48Å
151D38Very low51.1Low110 Ų110116.9 Ų116.959%0.58869%0.686SS**  trans-72.767.2177-69.4-55.8000109.4S149 D153 D154S149-D151 VanDerWaalsContact CB-OD2 3.29Å; S149-D151 WeakPolarHBondContact CB-OD2 3.24Å; S149-D151 PolarHBondContact O-N 2.8Å; S149-D151 PolarHBondContact OG-OD2 2.9Å; D151-D153 PolarHBondContact O-N 3Å; D151-D154 PolarHBondContact O-N 3.19Å
152E48.3Very low53.9Low178 Ų178115.2 Ų115.283%0.83266%0.659SS**THydrogen-bonded Turntrans-61-4.1172.9-65.3-169.2151.900112.9D150D150-E152 PolarHBondContact O-N 3.48Å
153D53.2Low56.3Low138 Ų138112.2 Ų112.274%0.73864%0.636SS**THydrogen-bonded Turntrans-85.5-3.6177.1-79.5-33000114.4D151 D155D151-D153 PolarHBondContact O-N 3Å; D153-D155 PolarHBondContact O-N 2.72Å
154D54.1Low58.9Low114 Ų114118.3 Ų118.361%0.6164%0.636SS**  trans-815.1-176.6-148.823.5000114.2D151 G156 W157D151-D154 PolarHBondContact O-N 3.19Å; D154-G156 PolarHBondContact O-N 3.15Å; D154-W157 PolarHBondContact OD1-NE1 2.99Å
155D63.3Low61.2Low130 Ų130114.9 Ų114.970%0.69562%0.615SS**THydrogen-bonded Turntrans-80.9117.2-175-146.61.8000112.6D153D153-D155 PolarHBondContact O-N 2.72Å
156G72.9Confident63.4Low40 Ų40112.7 Ų112.741%0.41259%0.593SS.*THydrogen-bonded Turntrans1044.3174.800000117.3D154D154-G156 PolarHBondContact O-N 3.15Å
157W85.5Confident65.3Low170 Ų170113.5 Ų113.564%0.64459%0.59SS**  trans-64.5148.9169.7-73.697.4000112.6D154 T159 N162D154-W157 PolarHBondContact OD1-NE1 2.99Å; W157-T159 HydrophobicContact CB-CG2 4.09Å; W157-N162 PolarHBondContact O-ND2 3.23Å
158I86.9Confident66.9Low80 Ų80110.5 Ų110.541%0.4157%0.572SS.*  trans-98.2107.7167.2-56.1177.6000108.1A62 N162 I163 V166A62-I158 HydrophobicContact CB-CD1 4.12Å; A62-I158 HydrophobicContact CB-CG1 4.48Å; I158-N162 WeakPolarHBondContact CA-OD1 3.42Å; I158-I163 HydrophobicContact CG2-CB 4.38Å; I158-I163 HydrophobicContact CG2-CG1 4.35Å; I158-V166 HydrophobicContact CD1-CG1 4.37Å
159T89.1Confident68.1Low49 Ų49107.5 Ų107.530%0.30156%0.558SS.*  trans-108.1161.6-175.664.90000111.2W157 S161 N162 I163W157-T159 HydrophobicContact CB-CG2 4.09Å; T159-S161 PolarHBondContact O-N 2.89Å; T159-S161 VanDerWaalsContact O-N 3.12Å; T159-N162 PolarHBondContact N-OD1 3.27Å; T159-N162 PolarHBondContact O-N 2.9Å; T159-N162 VanDerWaalsContact O-N 3.16Å; T159-N162 PolarHBondContact O-OD1 3.01Å; T159-N162 PolarHBondContact OG1-N 3.25Å; T159-I163 WeakPolarHBondContact O-CB 3.4Å; T159-I163 PolarHBondContact O-N 2.87Å
160P91.4Very high69.1Low123 Ų123107.4 Ų107.480%0.79956%0.557SS**THydrogen-bonded Turntrans-55.2-28.3172.5-26.536000113.6I163P160-I163 WeakPolarHBondContact O-CG2 3.4Å
161S87.5Confident69.7Low111 Ų111101.5 Ų101.578%0.77653%0.527SS*.THydrogen-bonded Turntrans-71.7-44.7176.8-50.90000112.4T159T159-S161 PolarHBondContact O-N 2.89Å; T159-S161 VanDerWaalsContact O-N 3.12Å
162N84.4Confident70.3Confident40 Ų40100.3 Ų100.321%0.21452%0.52CS..THydrogen-bonded Turntrans-93.7-11.5-175.375.119.6000114.8W157 I158 T159 R164 Q165 V166W157-N162 PolarHBondContact O-ND2 3.23Å; I158-N162 WeakPolarHBondContact CA-OD1 3.42Å; T159-N162 PolarHBondContact N-OD1 3.27Å; T159-N162 PolarHBondContact O-N 2.9Å; T159-N162 VanDerWaalsContact O-N 3.16Å; T159-N162 PolarHBondContact O-OD1 3.01Å; T159-N162 PolarHBondContact OG1-N 3.25Å; N162-R164 PolarHBondContact O-N 2.8Å; N162-Q165 WeakPolarHBondContact O-CA 3.36Å; N162-Q165 WeakPolarHBondContact O-CB 3.39Å; N162-Q165 PolarHBondContact O-N 2.99Å; N162-V166 PolarHBondContact O-N 3.34Å
163I86.1Confident70.3Confident69 Ų6996.3 Ų96.335%0.35450%0.497SS..Hα-helixtrans-57.8-27.4-176-165.6168.2000114.2I158 T159 P160 K167I158-I163 HydrophobicContact CG2-CB 4.38Å; I158-I163 HydrophobicContact CG2-CG1 4.35Å; T159-I163 WeakPolarHBondContact O-CB 3.4Å; T159-I163 PolarHBondContact O-N 2.87Å; P160-I163 WeakPolarHBondContact O-CG2 3.4Å; I163-K167 HydrophobicContact CG1-CD 4.38Å; I163-K167 WeakPolarHBondContact O-CB 3.24Å; I163-K167 WeakPolarHBondContact O-CD 3.46Å; I163-K167 WeakPolarHBondContact O-CG 3.48Å; I163-K167 PolarHBondContact O-N 2.65Å
164R82Confident70.2Confident200 Ų20092 Ų9276%0.75548%0.476SS*.Hα-helixtrans-71.1-42.2173.8-67.5-175.5-179.1-178.81.6111.7N162 M168N162-R164 PolarHBondContact O-N 2.8Å; R164-M168 WeakPolarHBondContact O-CG 3.35Å; R164-M168 PolarHBondContact O-N 3.32Å
165Q74.5Confident70.3Confident105 Ų10594.6 Ų94.649%0.49149%0.485SS..Hα-helixtrans-65.2-52.3176.1-176.8177.24.800110.4N162 K167 M168 E169 W173N162-Q165 WeakPolarHBondContact O-CA 3.36Å; N162-Q165 WeakPolarHBondContact O-CB 3.39Å; N162-Q165 PolarHBondContact O-N 2.99Å; Q165-K167 PolarHBondContact O-N 2.62Å; Q165-K167 VanDerWaalsContact O-N 3.15Å; Q165-M168 CarbonylContact O-C 3.53Å; Q165-M168 WeakPolarHBondContact O-CA 3.5Å; Q165-M168 PolarHBondContact O-N 3.16Å; Q165-E169 WeakPolarHBondContact O-CB 3.45Å; Q165-E169 PolarHBondContact O-N 3.23Å; Q165-W173 HydrophobicContact CG-CZ2 4.16Å
166V76.4Confident69.9Low36 Ų3693.1 Ų93.122%0.21848%0.482CS..Hα-helixtrans-55-35.2177.3169.90000112.6A62 I158 N162 M168A62-V166 HydrophobicContact CB-CB 4.48Å; A62-V166 HydrophobicContact CB-CG1 3.41Å; A62-V166 VanDerWaalsContact CB-CG1 3.41Å; A62-V166 HydrophobicContact CB-CG2 4.32Å; I158-V166 HydrophobicContact CD1-CG1 4.37Å; N162-V166 PolarHBondContact O-N 3.34Å; V166-M168 VanDerWaalsContact C-N 3.3Å; V166-M168 PolarHBondContact O-N 3.23Å
167K68.6Low69.2Low169 Ų16994.1 Ų94.174%0.73549%0.486SS*.Hα-helixtrans-71.1-21175.3-80.4173.7178.3178.30114.3I163 Q165I163-K167 HydrophobicContact CG1-CD 4.38Å; I163-K167 WeakPolarHBondContact O-CB 3.24Å; I163-K167 WeakPolarHBondContact O-CD 3.46Å; I163-K167 WeakPolarHBondContact O-CG 3.48Å; I163-K167 PolarHBondContact O-N 2.65Å; Q165-K167 PolarHBondContact O-N 2.62Å; Q165-K167 VanDerWaalsContact O-N 3.15Å
168M63.7Low68.4Low91 Ų9194.1 Ų94.145%0.44850%0.499SS..Hα-helixtrans-100.4-13.5179-64.9179.2-177.800112.8R164 Q165 V166 S170 W173R164-M168 WeakPolarHBondContact O-CG 3.35Å; R164-M168 PolarHBondContact O-N 3.32Å; Q165-M168 CarbonylContact O-C 3.53Å; Q165-M168 WeakPolarHBondContact O-CA 3.5Å; Q165-M168 PolarHBondContact O-N 3.16Å; V166-M168 VanDerWaalsContact C-N 3.3Å; V166-M168 PolarHBondContact O-N 3.23Å; M168-S170 PolarHBondContact O-N 2.76Å; M168-W173 HydrophobicContact CB-CH2 4.22Å
169E57Low68.2Low91 Ų9191.9 Ų91.943%0.42549%0.489SS..  trans-83.793.4-169.2-164.1159.1-144.100112.6Q165 W173Q165-E169 WeakPolarHBondContact O-CB 3.45Å; Q165-E169 PolarHBondContact O-N 3.23Å; E169-W173 HydrophobicContact CB-CH2 4.42Å; E169-W173 HydrophobicContact CB-CZ2 3.72Å; E169-W173 HydrophobicContact CG-CZ2 3.65Å; E169-W173 PolarHBondContact OE1-NE1 2.96Å
170S52.3Low68.1Low75 Ų7598.5 Ų98.552%0.52451%0.509SS..SBendtrans-129.712.8166.366.50000112.9M168M168-S170 PolarHBondContact O-N 2.76Å
171S49Very low68Low13 Ų1393.2 Ų93.29%0.09147%0.474CS..SBendtrans-147.5133.7-170.9-53.20000110.3W173 I209S171-W173 PolarHBondContact O-N 3.45Å; S171-I209 WeakPolarHBondContact OG-CD1 3.19Å
172D50.5Low68.2Low85 Ų8589.3 Ų89.346%0.45545%0.452SS..  trans-61122.9172.7-64.6-39.3000109.1
173W48Very low68.6Low93 Ų9387.7 Ų87.735%0.35244%0.443SS..  trans-70.7151.8-169.6-51.9104.4000113.7Q165 M168 E169 S171 L207Q165-W173 HydrophobicContact CG-CZ2 4.16Å; M168-W173 HydrophobicContact CB-CH2 4.22Å; E169-W173 HydrophobicContact CB-CH2 4.42Å; E169-W173 HydrophobicContact CB-CZ2 3.72Å; E169-W173 HydrophobicContact CG-CZ2 3.65Å; E169-W173 PolarHBondContact OE1-NE1 2.96Å; S171-W173 PolarHBondContact O-N 3.45Å; W173-L207 HydrophobicContact CE3-CD1 3.48Å; W173-L207 VanDerWaalsContact CE3-CD1 3.48Å; W173-L207 HydrophobicContact CZ3-CD1 3.77Å
174T50.8Low68.8Low48 Ų4889.5 Ų89.529%0.29445%0.453SS..  trans-141.9160.4160.1-25.20000109.3R210T174-R210 WeakPolarHBondContact OG1-CD 3.41Å
175E55.3Low69.2Low169 Ų16980.6 Ų80.679%0.7942%0.421SS*.  trans-51.2150.6175.2-63.6-115127.900112.6A177E175-A177 PolarHBondContact O-N 3.12Å
176P55.4Low69.8Low98 Ų9880.6 Ų80.664%0.63643%0.428SS*.  trans-65.897.1176.428-34.5000110.6L207P176-L207 HydrophobicContact CB-CD2 3.94Å; P176-L207 HydrophobicContact CG-CD2 4.45Å
177A58.1Low70.3Confident61 Ų6181.9 Ų81.950%0.50443%0.434SS..  trans-70.9133.2167.100000109.6E175 V179 V208E175-A177 PolarHBondContact O-N 3.12Å; A177-V179 VanDerWaalsContact C-N 3.35Å; A177-V179 HydrophobicContact CB-CG2 3.95Å; A177-V179 PolarHBondContact O-N 3.49Å; A177-V208 HydrophobicContact CB-CG2 4.17Å
178D70.3Confident71.2Confident170 Ų17078.3 Ų78.391%0.90942%0.419SS*.  trans-68.991.7171.7-176.617.5000109.5
179V80.9Confident72.4Confident33 Ų3374.1 Ų74.120%0.240%0.399CS..  trans-106.2113.3-174.11710000109.9A177 V181 H200 V208A177-V179 VanDerWaalsContact C-N 3.35Å; A177-V179 HydrophobicContact CB-CG2 3.95Å; A177-V179 PolarHBondContact O-N 3.49Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 WeakPolarHBondContact CG1-O 3.42Å; V179-V181 PolarHBondContact O-N 3.03Å; V179-H200 HydrophobicContact CG1-CB 3.67Å; V179-H200 VanDerWaalsContact CG1-CD2 3.49Å; V179-H200 WeakPolarHBondContact CG1-CD2 3.47Å; V179-H200 HydrophobicContact CG2-CB 4.48Å; V179-V208 HydrophobicContact CG2-CG2 3.78Å
180R87.8Confident74.1Confident188 Ų18870.8 Ų70.871%0.70938%0.383SS*.SBendtrans-64-30.1-179.7-167.4173.6-172.5169.25.5114.3H32 V33H32-R180 HydrophobicContact CB-CG 4.47Å; H32-R180 PolarHBondContact O-NH1 2.98Å; V33-R180 HydrophobicContact CG2-CB 4.39Å
181V90.4Very high75.9Confident12 Ų1267.4 Ų67.47%0.07336%0.359CS..SBendtrans-141.1120.9179-179.50000109.7L28 Q29 H32 V33 V179L28-V181 HydrophobicContact CB-CG1 3.95Å; L28-V181 HydrophobicContact CB-CG2 4.48Å; Q29-V181 HydrophobicContact CB-CG1 4.39Å; H32-V181 HydrophobicContact CB-CG2 3.96Å; V33-V181 HydrophobicContact CG2-CG2 4.26Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 WeakPolarHBondContact CG1-O 3.42Å; V179-V181 PolarHBondContact O-N 3.03Å
182G90.8Very high77.9Confident30 Ų3067.2 Ų67.231%0.30936%0.357SS..EExtended strand (participates in β ladder)trans-150.4155.6176.900000112.1H200G182-H200 VanDerWaalsContact CA-O 3.32Å; G182-H200 WeakPolarHBondContact CA-O 3.45Å
183C92Very high79.8Confident5 Ų563.2 Ų63.23%0.03434%0.336CS..EExtended strand (participates in β ladder)trans-104.5119.1178.3-173.70000110.7T25 T185 L194 H200 V201 L202T25-C183 HydrophobicContact CG2-CB 3.66Å; C183-T185 PolarHBondContact O-N 2.84Å; C183-L194 HydrophobicContact CB-CD1 3.66Å; C183-L194 HydrophobicContact CB-CD2 4.32Å; C183-H200 PolarHBondContact N-O 2.97Å; C183-V201 WeakPolarHBondContact O-CA 3.17Å; C183-L202 PolarHBondContact O-N 2.99Å
184L91.6Very high81.9Confident108 Ų10858.8 Ų58.857%0.56532%0.319SS*.EExtended strand (participates in β ladder)trans-82.9114.2170-169.8153.6000109.4L202L184-L202 WeakPolarHBondContact CA-O 3.24Å; L184-L202 HydrophobicContact CB-CB 4.36Å
185T89.4Confident83.8Confident13 Ų1357 Ų578%0.0831%0.308CS..  trans-154.7142-179.5-179.90000112.4C183 D187 M190 Q191 L194 V201C183-T185 PolarHBondContact O-N 2.84Å; T185-D187 PolarHBondContact OG1-N 3.03Å; T185-M190 HydrophobicContact CG2-CB 4.01Å; T185-M190 WeakPolarHBondContact OG1-CE 3.48Å; T185-Q191 HydrophobicContact CG2-CG 3.98Å; T185-Q191 PolarHBondContact O-NE2 2.91Å; T185-L194 HydrophobicContact CG2-CD1 4Å; T185-V201 HydrophobicContact CG2-CG1 4.1Å
186T86.9Confident85.4Confident105 Ų10549.2 Ų49.264%0.64427%0.271SS*.  trans-100.2-1.6176.554.80000113.3V204T186-V204 HydrophobicContact CG2-CG2 3.93Å
187D88.4Confident87.1Confident63 Ų6344.7 Ų44.734%0.33724%0.242SC..  trans-89.2116.7-179.3-171.7-75.1000111.8T185 A189 M190 Q191T185-D187 PolarHBondContact OG1-N 3.03Å; D187-A189 PolarHBondContact O-N 3.33Å; D187-A189 VanDerWaalsContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CA 3.45Å; D187-A189 VanDerWaalsContact OD1-CB 3.24Å; D187-A189 WeakPolarHBondContact OD1-CB 3.38Å; D187-A189 PolarHBondContact OD1-N 3.48Å; D187-M190 HydrophobicContact CB-CB 4.38Å; D187-M190 HydrophobicContact CB-CE 3.7Å; D187-M190 HydrophobicContact CB-CG 4.31Å; D187-M190 WeakPolarHBondContact O-CB 3.16Å; D187-M190 PolarHBondContact O-N 3.12Å; D187-M190 PolarHBondContact OD1-N 3Å; D187-Q191 WeakPolarHBondContact O-CG 3.2Å; D187-Q191 PolarHBondContact O-N 2.78Å
188F87.4Confident88.6Confident93 Ų9342.9 Ų42.941%0.40823%0.228SC..Hα-helixtrans-56.5-32-178.3-62.3-67.3000114.3Q191 N192F188-Q191 PolarHBondContact O-N 3.5Å; F188-N192 WeakPolarHBondContact O-CB 3.44Å; F188-N192 PolarHBondContact O-N 3.03Å; F188-N192 PolarHBondContact O-ND2 3.16Å; F188-N192 PolarHBondContact O-OD1 3.47Å
189A89.2Confident89.6Confident4 Ų435.1 Ų35.13%0.03319%0.187CC..Hα-helixtrans-72.3-36.4178.700000111.6D10 S13 L14 D187 V193D10-A189 HydrophobicContact CB-CB 4.21Å; S13-A189 VanDerWaalsContact OG-CB 3.22Å; S13-A189 WeakPolarHBondContact OG-CB 3.41Å; L14-A189 HydrophobicContact CD2-CB 3.92Å; L14-A189 HydrophobicContact CG-CB 4.34Å; D187-A189 PolarHBondContact O-N 3.33Å; D187-A189 VanDerWaalsContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CA 3.45Å; D187-A189 VanDerWaalsContact OD1-CB 3.24Å; D187-A189 WeakPolarHBondContact OD1-CB 3.38Å; D187-A189 PolarHBondContact OD1-N 3.48Å; A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 3.47Å
190M92Very high90Very high20 Ų2036.8 Ų36.810%0.09919%0.192CC..Hα-helixtrans-64.8-47.2169.8-71.3-163.7-105.300111L14 D18 L22 T185 D187 N192 V193 L194L14-M190 HydrophobicContact CD2-CG 3.69Å; D18-M190 HydrophobicContact CB-CE 4.1Å; D18-M190 HydrophobicContact CB-CG 4.01Å; D18-M190 HydrophobicContact CB-SD 3.81Å; D18-M190 WeakPolarHBondContact OD1-CE 3.42Å; L22-M190 HydrophobicContact CD2-CB 4.37Å; T185-M190 HydrophobicContact CG2-CB 4.01Å; T185-M190 WeakPolarHBondContact OG1-CE 3.48Å; D187-M190 HydrophobicContact CB-CB 4.38Å; D187-M190 HydrophobicContact CB-CE 3.7Å; D187-M190 HydrophobicContact CB-CG 4.31Å; D187-M190 WeakPolarHBondContact O-CB 3.16Å; D187-M190 PolarHBondContact O-N 3.12Å; D187-M190 PolarHBondContact OD1-N 3Å; M190-N192 PolarHBondContact O-N 3.17Å; M190-V193 PolarHBondContact O-N 2.86Å; M190-L194 WeakPolarHBondContact O-CB 3.42Å; M190-L194 WeakPolarHBondContact O-CD1 3.41Å; M190-L194 VanDerWaalsContact O-CG 3.27Å; M190-L194 WeakPolarHBondContact O-CG 3.42Å; M190-L194 PolarHBondContact O-N 2.91Å
191Q90.8Very high90.1Very high5 Ų527.8 Ų27.82%0.02316%0.159CC..Hα-helixtrans-58.4-47.9179.4-61.6176.6-11.800111.8T185 D187 F188 V193 L194 I195 V201T185-Q191 HydrophobicContact CG2-CG 3.98Å; T185-Q191 PolarHBondContact O-NE2 2.91Å; D187-Q191 WeakPolarHBondContact O-CG 3.2Å; D187-Q191 PolarHBondContact O-N 2.78Å; F188-Q191 PolarHBondContact O-N 3.5Å; Q191-V193 VanDerWaalsContact C-N 3.31Å; Q191-V193 PolarHBondContact O-N 3.06Å; Q191-L194 PolarHBondContact O-N 2.85Å; Q191-I195 VanDerWaalsContact O-CG1 3.3Å; Q191-I195 WeakPolarHBondContact O-CG1 3.4Å; Q191-I195 PolarHBondContact O-N 2.56Å; Q191-V201 HydrophobicContact CB-CG1 4.4Å; Q191-V201 HydrophobicContact CG-CG1 3.85Å
192N89.4Confident90Very high9 Ų929 Ų295%0.04816%0.164CC..Hα-helixtrans-55.1-44.4177.4-72.2-13.2000112.3D10 F188 M190 Q196D10-N192 PolarHBondContact OD1-ND2 3.1Å; F188-N192 WeakPolarHBondContact O-CB 3.44Å; F188-N192 PolarHBondContact O-N 3.03Å; F188-N192 PolarHBondContact O-ND2 3.16Å; F188-N192 PolarHBondContact O-OD1 3.47Å; M190-N192 PolarHBondContact O-N 3.17Å; N192-Q196 WeakPolarHBondContact O-CB 3.4Å; N192-Q196 WeakPolarHBondContact O-CG 3.37Å; N192-Q196 PolarHBondContact O-N 3.04Å; N192-Q196 PolarHBondContact O-NE2 3.4Å
193V91.5Very high89.6Confident0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-71.2-43.9-179.3170.30000111.1F4 T8 D10 L14 L22 A189 M190 Q191 Q196 M197F4-V193 HydrophobicContact CD1-CG1 4.25Å; T8-V193 HydrophobicContact CG2-CG2 4.46Å; D10-V193 HydrophobicContact CB-CG2 3.83Å; L14-V193 HydrophobicContact CD1-CG2 4.27Å; L22-V193 HydrophobicContact CD1-CG1 4.16Å; L22-V193 HydrophobicContact CD2-CG1 4.48Å; A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 3.47Å; M190-V193 PolarHBondContact O-N 2.86Å; Q191-V193 VanDerWaalsContact C-N 3.31Å; Q191-V193 PolarHBondContact O-N 3.06Å; V193-Q196 PolarHBondContact O-N 3.13Å; V193-M197 HydrophobicContact CG1-CG 4.29Å; V193-M197 HydrophobicContact CG1-SD 3.78Å; V193-M197 WeakPolarHBondContact O-CB 3.22Å; V193-M197 VanDerWaalsContact O-CG 3.3Å; V193-M197 WeakPolarHBondContact O-CG 3.33Å; V193-M197 PolarHBondContact O-N 3.04Å
194L92.4Very high89.1Confident1 Ų132.1 Ų32.11%0.00518%0.178CC..Hα-helixtrans-60.7-49.4179.5-72.9162.7000111.6L22 C183 T185 M190 Q191 Q196 M197 G198 L199 V201L22-L194 HydrophobicContact CD2-CD1 3.89Å; L22-L194 HydrophobicContact CD2-CD2 3.57Å; L22-L194 HydrophobicContact CD2-CG 3.44Å; L22-L194 VanDerWaalsContact CD2-CG 3.44Å; C183-L194 HydrophobicContact CB-CD1 3.66Å; C183-L194 HydrophobicContact CB-CD2 4.32Å; T185-L194 HydrophobicContact CG2-CD1 4Å; M190-L194 WeakPolarHBondContact O-CB 3.42Å; M190-L194 WeakPolarHBondContact O-CD1 3.41Å; M190-L194 VanDerWaalsContact O-CG 3.27Å; M190-L194 WeakPolarHBondContact O-CG 3.42Å; M190-L194 PolarHBondContact O-N 2.91Å; Q191-L194 PolarHBondContact O-N 2.85Å; L194-Q196 PolarHBondContact O-N 3.12Å; L194-M197 PolarHBondContact O-N 2.83Å; L194-M197 VanDerWaalsContact O-N 3.12Å; L194-G198 PolarHBondContact O-N 2.89Å; L194-G198 VanDerWaalsContact O-N 3.15Å; L194-L199 CarbonylContact C-O 3.59Å; L194-L199 HydrophobicContact CB-CB 4.22Å; L194-L199 HydrophobicContact CD2-CB 3.72Å; L194-L199 HydrophobicContact CD2-CD1 3.61Å; L194-L199 HydrophobicContact CD2-CG 4.31Å; L194-L199 PolarHBondContact O-N 3.4Å; L194-V201 HydrophobicContact CB-CG2 3.43Å; L194-V201 VanDerWaalsContact CB-CG2 3.43Å; L194-V201 HydrophobicContact CD1-CG2 3.86Å; L194-V201 HydrophobicContact CG-CG2 4.27Å
195I90.4Very high88.3Confident11 Ų1129 Ų296%0.05617%0.171CC..Hα-helixtrans-59.6-46.6177.8-63.6169000110.4Q191 M197 G198 V201 I209 A212 V249 G250Q191-I195 VanDerWaalsContact O-CG1 3.3Å; Q191-I195 WeakPolarHBondContact O-CG1 3.4Å; Q191-I195 PolarHBondContact O-N 2.56Å; I195-M197 VanDerWaalsContact C-N 3.29Å; I195-M197 PolarHBondContact O-N 2.62Å; I195-G198 PolarHBondContact O-N 2.91Å; I195-V201 HydrophobicContact CG1-CG2 3.95Å; I195-I209 HydrophobicContact CD1-CG2 4.4Å; I195-A212 HydrophobicContact CD1-CB 3.78Å; I195-V249 HydrophobicContact CB-CG1 4.28Å; I195-V249 HydrophobicContact CG2-CG1 3.87Å; I195-G250 WeakPolarHBondContact CG2-O 3.48Å
196Q89.4Confident87.7Confident4 Ų430.5 Ų30.52%0.01919%0.189CC..Hα-helixtrans-64.5-30.5177-77.5171.579.500113.5F4 T8 K39 N192 V193 L194 G198 V249F4-Q196 HydrophobicContact CE1-CB 3.71Å; F4-Q196 HydrophobicContact CZ-CB 3.91Å; F4-Q196 WeakPolarHBondContact CZ-O 3.07Å; T8-Q196 HydrophobicContact CG2-CB 4.47Å; K39-Q196 WeakPolarHBondContact CD-O 3.18Å; N192-Q196 WeakPolarHBondContact O-CB 3.4Å; N192-Q196 WeakPolarHBondContact O-CG 3.37Å; N192-Q196 PolarHBondContact O-N 3.04Å; N192-Q196 PolarHBondContact O-NE2 3.4Å; V193-Q196 PolarHBondContact O-N 3.13Å; L194-Q196 PolarHBondContact O-N 3.12Å; Q196-G198 VanDerWaalsContact C-N 3.27Å; Q196-G198 PolarHBondContact O-N 2.99Å; Q196-V249 HydrophobicContact CG-CG1 4.35Å
197M91.3Very high87.4Confident4 Ų427.7 Ų27.72%0.0217%0.17CC..Hα-helixtrans-76.1-11174.3-75.2-177.55700113.5V1 F4 Y26 L38 K39 V193 L194 I195 L199V1-M197 HydrophobicContact CG2-CE 4.22Å; F4-M197 HydrophobicContact CD1-CG 3.54Å; F4-M197 HydrophobicContact CD1-SD 4.14Å; F4-M197 HydrophobicContact CD2-CG 3.98Å; F4-M197 HydrophobicContact CE1-CB 4.47Å; F4-M197 HydrophobicContact CE1-CG 3.45Å; F4-M197 VanDerWaalsContact CE1-CG 3.45Å; F4-M197 HydrophobicContact CE2-CG 3.88Å; F4-M197 HydrophobicContact CG-CG 3.82Å; F4-M197 HydrophobicContact CG-SD 4.24Å; F4-M197 HydrophobicContact CZ-CB 4.38Å; F4-M197 HydrophobicContact CZ-CG 3.63Å; Y26-M197 HydrophobicContact CD2-CE 3.24Å; Y26-M197 HydrophobicContact CE2-CE 3.75Å; Y26-M197 HydrophobicContact CG-CE 3.99Å; L38-M197 WeakPolarHBondContact CA-O 3.4Å; L38-M197 WeakPolarHBondContact CD2-O 3.31Å; K39-M197 PolarHBondContact N-O 3.28Å; V193-M197 HydrophobicContact CG1-CG 4.29Å; V193-M197 HydrophobicContact CG1-SD 3.78Å; V193-M197 WeakPolarHBondContact O-CB 3.22Å; V193-M197 VanDerWaalsContact O-CG 3.3Å; V193-M197 WeakPolarHBondContact O-CG 3.33Å; V193-M197 PolarHBondContact O-N 3.04Å; L194-M197 PolarHBondContact O-N 2.83Å; L194-M197 VanDerWaalsContact O-N 3.12Å; I195-M197 VanDerWaalsContact C-N 3.29Å; I195-M197 PolarHBondContact O-N 2.62Å; M197-L199 HydrophobicContact CB-CD1 4.31Å; M197-L199 HydrophobicContact CB-CG 4.43Å; M197-L199 HydrophobicContact CE-CD1 3.96Å
198G89.4Confident87.2Confident22 Ų2225.3 Ų25.323%0.22716%0.158CC..THydrogen-bonded Turntrans80.520.5-172.400000113.9L194 I195 Q196L194-G198 PolarHBondContact O-N 2.89Å; L194-G198 VanDerWaalsContact O-N 3.15Å; I195-G198 PolarHBondContact O-N 2.91Å; Q196-G198 VanDerWaalsContact C-N 3.27Å; Q196-G198 PolarHBondContact O-N 2.99Å
199L90.5Very high87Confident8 Ų821.2 Ų21.24%0.04214%0.14CC..  trans-95.6138.2176.8-74.5169.3000111.1Y26 Q29 L38 L194 M197Y26-L199 HydrophobicContact CD2-CD1 4.38Å; Q29-L199 HydrophobicContact CB-CD2 3.56Å; Q29-L199 HydrophobicContact CG-CD2 3.65Å; L38-L199 HydrophobicContact CD2-CD1 4.42Å; L38-L199 HydrophobicContact CD2-CD2 3.74Å; L38-L199 HydrophobicContact CD2-CG 3.73Å; L194-L199 CarbonylContact C-O 3.59Å; L194-L199 HydrophobicContact CB-CB 4.22Å; L194-L199 HydrophobicContact CD2-CB 3.72Å; L194-L199 HydrophobicContact CD2-CD1 3.61Å; L194-L199 HydrophobicContact CD2-CG 4.31Å; L194-L199 PolarHBondContact O-N 3.4Å; M197-L199 HydrophobicContact CB-CD1 4.31Å; M197-L199 HydrophobicContact CB-CG 4.43Å; M197-L199 HydrophobicContact CE-CD1 3.96Å
200H89.8Confident86.7Confident67 Ų6727.2 Ų27.231%0.3116%0.162SC..EExtended strand (participates in β ladder)trans-72.3132.7178.6-61.3-67.2000112V179 G182 C183V179-H200 HydrophobicContact CG1-CB 3.67Å; V179-H200 VanDerWaalsContact CG1-CD2 3.49Å; V179-H200 WeakPolarHBondContact CG1-CD2 3.47Å; V179-H200 HydrophobicContact CG2-CB 4.48Å; G182-H200 VanDerWaalsContact CA-O 3.32Å; G182-H200 WeakPolarHBondContact CA-O 3.45Å; C183-H200 PolarHBondContact N-O 2.97Å
201V89.7Confident86.2Confident0 Ų032.1 Ų32.10%018%0.179CC..EExtended strand (participates in β ladder)trans-108.1132.5174.9-174.70000108.4C183 T185 Q191 L194 I195 V208 I209C183-V201 WeakPolarHBondContact O-CA 3.17Å; T185-V201 HydrophobicContact CG2-CG1 4.1Å; Q191-V201 HydrophobicContact CB-CG1 4.4Å; Q191-V201 HydrophobicContact CG-CG1 3.85Å; L194-V201 HydrophobicContact CB-CG2 3.43Å; L194-V201 VanDerWaalsContact CB-CG2 3.43Å; L194-V201 HydrophobicContact CD1-CG2 3.86Å; L194-V201 HydrophobicContact CG-CG2 4.27Å; I195-V201 HydrophobicContact CG1-CG2 3.95Å; V201-V208 WeakPolarHBondContact O-CA 3.48Å; V201-I209 HydrophobicContact CB-CB 4.27Å; V201-I209 HydrophobicContact CG1-CB 4.41Å; V201-I209 HydrophobicContact CG1-CD1 3.92Å; V201-I209 PolarHBondContact O-N 2.81Å
202L88.6Confident85.7Confident37 Ų3732.1 Ų32.119%0.19418%0.18CC..EExtended strand (participates in β ladder)trans-106.5135.9176.7-59.8178.8000110.5C183 L184 L207 V208C183-L202 PolarHBondContact O-N 2.99Å; L184-L202 WeakPolarHBondContact CA-O 3.24Å; L184-L202 HydrophobicContact CB-CB 4.36Å; L202-L207 WeakPolarHBondContact CA-O 3.24Å; L202-V208 HydrophobicContact CD2-CB 4.5Å; L202-V208 HydrophobicContact CD2-CG2 3.71Å
203S82.7Confident85.5Confident8 Ų835.7 Ų35.76%0.05619%0.193CC..  trans-73.7168166.2-1750000110.8G205 G206 L207S203-G205 PolarHBondContact O-N 3.03Å; S203-G206 PolarHBondContact O-N 3.31Å; S203-L207 PolarHBondContact N-O 2.59Å
204V81.1Confident85.2Confident93 Ų9335.8 Ų35.856%0.56419%0.194SC*.THydrogen-bonded Turntrans-58.5-28175.1-177.80000111.8T186 G206T186-V204 HydrophobicContact CG2-CG2 3.93Å; V204-G206 VanDerWaalsContact C-N 3.28Å; V204-G206 PolarHBondContact O-N 2.78Å
205G73.6Confident85.1Confident42 Ų4238.9 Ų38.943%0.43321%0.206SC..THydrogen-bonded Turntrans-80.26.9173.400000115.6S203 L207S203-G205 PolarHBondContact O-N 3.03Å; G205-L207 VanDerWaalsContact C-N 3.26Å; G205-L207 PolarHBondContact O-N 2.93Å
206G76.8Confident85.2Confident44 Ų4439.2 Ų39.245%0.45421%0.207SC..SBendtrans77.61.1-179.700000115.6S203 V204S203-G206 PolarHBondContact O-N 3.31Å; V204-G206 VanDerWaalsContact C-N 3.28Å; V204-G206 PolarHBondContact O-N 2.78Å
207L81.1Confident85.4Confident46 Ų4639.7 Ų39.724%0.24121%0.21CC..  trans-85.3145.6-179.6-62.5174000112W173 P176 L202 S203 G205W173-L207 HydrophobicContact CE3-CD1 3.48Å; W173-L207 VanDerWaalsContact CE3-CD1 3.48Å; W173-L207 HydrophobicContact CZ3-CD1 3.77Å; P176-L207 HydrophobicContact CB-CD2 3.94Å; P176-L207 HydrophobicContact CG-CD2 4.45Å; L202-L207 WeakPolarHBondContact CA-O 3.24Å; S203-L207 PolarHBondContact N-O 2.59Å; G205-L207 VanDerWaalsContact C-N 3.26Å; G205-L207 PolarHBondContact O-N 2.93Å
208V84.9Confident85.6Confident13 Ų1342.8 Ų42.88%0.07922%0.221CC..BIsolated β-bridgetrans-79126.2-178.3-178.80000110.8A177 V179 V201 L202 R210A177-V208 HydrophobicContact CB-CG2 4.17Å; V179-V208 HydrophobicContact CG2-CG2 3.78Å; V201-V208 WeakPolarHBondContact O-CA 3.48Å; L202-V208 HydrophobicContact CD2-CB 4.5Å; L202-V208 HydrophobicContact CD2-CG2 3.71Å; V208-R210 PolarHBondContact O-N 3.16Å
209I83.6Confident85.8Confident8 Ų841.7 Ų41.74%0.04121%0.21CC..  trans-85.3105.2177-58.4173000108.8S171 I195 V201S171-I209 WeakPolarHBondContact OG-CD1 3.19Å; I195-I209 HydrophobicContact CD1-CG2 4.4Å; V201-I209 HydrophobicContact CB-CB 4.27Å; V201-I209 HydrophobicContact CG1-CB 4.41Å; V201-I209 HydrophobicContact CG1-CD1 3.92Å; V201-I209 PolarHBondContact O-N 2.81Å
210R81.5Confident86Confident129 Ų12945.2 Ų45.249%0.48723%0.226SC..  trans-83.2-33.4175-69.8-176.268.1160.90.8113.6T174 V208 D251T174-R210 WeakPolarHBondContact OG1-CD 3.41Å; V208-R210 PolarHBondContact O-N 3.16Å; R210-D251 HydrophobicContact CB-CB 4.36Å; R210-D251 IonicContact CZ-OD2 3.32Å; R210-D251 IonicContact NE-OD2 3.1Å; R210-D251 PolarHBondContact NE-OD2 2.81Å; R210-D251 VanDerWaalsContact NE-OD2 3.1Å; R210-D251 IonicContact NH2-OD2 2.7Å; R210-D251 PolarHBondContact NH2-OD2 3.5Å; R210-D251 VanDerWaalsContact O-CA 3.32Å; R210-D251 WeakPolarHBondContact O-CA 3.45Å; R210-D251 WeakPolarHBondContact O-CB 3.31Å; R210-D251 PolarHBondContact O-N 2.66Å; R210-D251 VanDerWaalsContact O-N 3.14Å
211R82.3Confident86.2Confident124 Ų12444.6 Ų44.647%0.46823%0.233SC..  trans-137.5124.2-173.1-165.6173.7-69.6167-0.4109.3T248 V249R211-T248 HydrophobicContact CG-CG2 3.62Å; R211-V249 WeakPolarHBondContact CA-O 3.3Å; R211-V249 WeakPolarHBondContact CG-O 3.26Å
212A80.5Confident86.5Confident4 Ų446.6 Ų46.63%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-111.1112.8-177.500000109.9I195 T248 V249I195-A212 HydrophobicContact CD1-CB 3.78Å; A212-T248 WeakPolarHBondContact O-CA 3.23Å; A212-V249 PolarHBondContact N-O 3.08Å; A212-V249 PolarHBondContact O-N 2.83Å
213R84.6Confident86.7Confident84 Ų8450.9 Ų50.932%0.31726%0.264SS..EExtended strand (participates in β ladder)trans-95.8105170.3-173.1-179.1-175.8144.86.4109.7H60 V247H60-R213 PolarHBondContact NE2-NH1 2.98Å; R213-V247 CarbonylContact C-O 3.5Å; R213-V247 WeakPolarHBondContact CA-O 3.35Å
214S85.7Confident87.1Confident3 Ų356.7 Ų56.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-115.9179.1179.1640000111.6V247S214-V247 PolarHBondContact N-O 3.26Å; S214-V247 PolarHBondContact O-N 3.28Å; S214-V247 VanDerWaalsContact O-O 3.12Å
215Y89.4Confident87.6Confident66 Ų6654.5 Ų54.526%0.25927%0.272SS..EExtended strand (participates in β ladder)trans-122.7141.9170.9-65.6-82.3000109.8K244 L245 A246Y215-K244 HydrophobicContact CD1-CD 4.12Å; Y215-K244 HydrophobicContact CD1-CG 3.88Å; Y215-K244 HydrophobicContact CE1-CD 4.49Å; Y215-K244 HydrophobicContact CG-CD 4.37Å; Y215-K244 HydrophobicContact CG-CG 4.29Å; Y215-L245 WeakPolarHBondContact CA-O 3.32Å; Y215-A246 HydrophobicContact CD1-CB 3.76Å; Y215-A246 HydrophobicContact CE1-CB 3.66Å
216I92Very high88.3Confident17 Ų1753.1 Ų53.19%0.08726%0.255CS..EExtended strand (participates in β ladder)trans-124.2163.5171.568.9175.2000110.1T225 L245 V247I216-T225 HydrophobicContact CD1-CG2 3.61Å; I216-L245 HydrophobicContact CD1-CD2 4.44Å; I216-L245 HydrophobicContact CG1-CB 4.19Å; I216-L245 HydrophobicContact CG1-CD2 4.47Å; I216-L245 PolarHBondContact N-O 3.45Å; I216-L245 PolarHBondContact O-N 3.38Å; I216-V247 HydrophobicContact CD1-CG2 3.67Å; I216-V247 HydrophobicContact CG1-CG2 3.72Å; I216-V247 HydrophobicContact CG2-CG2 4.32Å
217L94.4Very high88.8Confident15 Ų1552.2 Ų52.28%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-100.2120.3170.4-63.5-179.4000109.7T225 T226 N228 M229 K231 L242 K243 K244L217-T225 CarbonylContact O-C 3.58Å; L217-T225 WeakPolarHBondContact O-CA 3.37Å; L217-T226 HydrophobicContact CB-CG2 3.9Å; L217-T226 PolarHBondContact N-O 3.12Å; L217-T226 PolarHBondContact O-N 3.11Å; L217-N228 WeakPolarHBondContact CD1-O 3.29Å; L217-M229 HydrophobicContact CD2-CE 3.97Å; L217-M229 HydrophobicContact CD2-SD 4.11Å; L217-M229 HydrophobicContact CG-CE 4.32Å; L217-M229 HydrophobicContact CG-SD 3.83Å; L217-K231 HydrophobicContact CD1-CB 4.32Å; L217-K231 WeakPolarHBondContact CD1-O 3.35Å; L217-L242 HydrophobicContact CB-CB 4.15Å; L217-L242 HydrophobicContact CB-CD1 4.13Å; L217-L242 HydrophobicContact CB-CD2 4.17Å; L217-L242 HydrophobicContact CB-CG 4.38Å; L217-L242 HydrophobicContact CD1-CB 4.36Å; L217-L242 HydrophobicContact CD1-CD1 3.8Å; L217-K243 WeakPolarHBondContact CA-O 3.36Å; L217-K244 HydrophobicContact CD2-CB 4.3Å
218R94.6Very high89.1Confident68 Ų6852.7 Ų52.726%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-106.1130.4172.7-173.2173.2178.6-98.78.3110.3T225 K243 L245R218-T225 HydrophobicContact CB-CG2 4.08Å; R218-T225 HydrophobicContact CG-CG2 3.96Å; R218-K243 PolarHBondContact N-O 3.32Å; R218-K243 PolarHBondContact O-N 3.32Å; R218-L245 HydrophobicContact CB-CD2 4.42Å
219C95.3Very high89.3Confident0 Ų056.3 Ų56.30%026%0.261CS..EExtended strand (participates in β ladder)trans-70.8128170.6-177.80000110A221 C222 F223 R224 C234 T241 L242C219-A221 VanDerWaalsContact C-N 3.31Å; C219-A221 PolarHBondContact SG-N 3.27Å; C219-A221 VanDerWaalsContact SG-N 3.41Å; C219-C222 PolarHBondContact SG-N 3.45Å; C219-C222 PolarHBondContact SG-SG 2.58Å; C219-F223 WeakPolarHBondContact O-CA 3.4Å; C219-F223 PolarHBondContact O-N 3.02Å; C219-F223 VanDerWaalsContact O-N 3.17Å; C219-R224 WeakPolarHBondContact CB-O 3.3Å; C219-R224 PolarHBondContact N-O 3.49Å; C219-C234 HydrophobicContact CB-CB 4.23Å; C219-T241 PolarHBondContact SG-OG1 3.41Å; C219-L242 HydrophobicContact CB-CD2 4.09Å
220H94.1Very high89.6Confident81 Ų8160.8 Ų60.838%0.37529%0.293SS..THydrogen-bonded Turntrans-82.4-7.7175.870.3-90.5000114F223 T241 M266H220-F223 WeakPolarHBondContact O-CE1 3.5Å; H220-T241 VanDerWaalsContact CE1-CB 3.46Å; H220-T241 WeakPolarHBondContact CE1-CB 3.42Å; H220-T241 PolarHBondContact N-O 2.85Å; H220-T241 VanDerWaalsContact N-O 3.12Å; H220-T241 PolarHBondContact ND1-O 2.82Å; H220-M266 HydrophobicContact CB-CE 3.91Å; H220-M266 HydrophobicContact CB-SD 4.17Å
221A94.5Very high90.1Very high55 Ų5557.2 Ų57.246%0.45528%0.281SS..THydrogen-bonded Turntrans-99.2-47.6-179.300000113.4C219 T241C219-A221 VanDerWaalsContact C-N 3.31Å; C219-A221 PolarHBondContact SG-N 3.27Å; C219-A221 VanDerWaalsContact SG-N 3.41Å; A221-T241 HydrophobicContact CB-CG2 4.23Å
222C95.4Very high90.6Very high42 Ų4253.7 Ų53.728%0.28428%0.278SS..THydrogen-bonded Turntrans-1096178720000113.9C219 R224 C234 C237C219-C222 PolarHBondContact SG-N 3.45Å; C219-C222 PolarHBondContact SG-SG 2.58Å; C222-R224 PolarHBondContact O-N 2.2Å; C222-C234 VanDerWaalsContact SG-SG 3.62Å; C222-C237 HydrophobicContact CB-CB 4.25Å; C222-C237 VanDerWaalsContact SG-SG 3.67Å
223F92.9Very high91.3Very high127 Ų12753.8 Ų53.856%0.55728%0.278SS*.  trans60.7-7176.9-49.6-52.4000117.5C219 H220C219-F223 WeakPolarHBondContact O-CA 3.4Å; C219-F223 PolarHBondContact O-N 3.02Å; C219-F223 VanDerWaalsContact O-N 3.17Å; H220-F223 WeakPolarHBondContact O-CE1 3.5Å
224R91.1Very high91.8Very high129 Ų12949.9 Ų49.949%0.48726%0.264SS..  trans-63.1138.3175.5-161.972.8-157-179.15.7111.3C219 C222 H236C219-R224 WeakPolarHBondContact CB-O 3.3Å; C219-R224 PolarHBondContact N-O 3.49Å; C222-R224 PolarHBondContact O-N 2.2Å; R224-H236 HydrophobicContact CB-CB 4.3Å; R224-H236 HydrophobicContact CG-CB 4.41Å
225T90.6Very high92.1Very high48 Ų4853.5 Ų53.529%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-95.4155.617646.30000111.7I216 L217 R218I216-T225 HydrophobicContact CD1-CG2 3.61Å; L217-T225 CarbonylContact O-C 3.58Å; L217-T225 WeakPolarHBondContact O-CA 3.37Å; R218-T225 HydrophobicContact CB-CG2 4.08Å; R218-T225 HydrophobicContact CG-CG2 3.96Å
226T89.3Confident92.3Very high12 Ų1256.8 Ų56.87%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-145135.9164-175.30000109.7L217 N228 L242L217-T226 HydrophobicContact CB-CG2 3.9Å; L217-T226 PolarHBondContact N-O 3.12Å; L217-T226 PolarHBondContact O-N 3.11Å; T226-N228 VanDerWaalsContact C-N 3.32Å; T226-N228 PolarHBondContact OG1-N 3.1Å; T226-L242 HydrophobicContact CG2-CD1 4.18Å; T226-L242 HydrophobicContact CG2-CD2 4.34Å
227S86.3Confident92.4Very high25 Ų2558 Ų5818%0.17531%0.314CS..  trans-73.6-19.3173.636.40000113S13 M229S13-S227 WeakPolarHBondContact CB-OG 3.29Å; S13-S227 PolarHBondContact OG-OG 2.99Å; S227-M229 PolarHBondContact O-N 3.2Å
228N88Confident92.4Very high56 Ų5659 Ų5930%0.29933%0.328SS..  trans-76.497.6-177.4-173-26000111.8L217 T226 S230 K231L217-N228 WeakPolarHBondContact CD1-O 3.29Å; T226-N228 VanDerWaalsContact C-N 3.32Å; T226-N228 PolarHBondContact OG1-N 3.1Å; N228-S230 PolarHBondContact O-N 3.35Å; N228-S230 VanDerWaalsContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.47Å; N228-S230 PolarHBondContact OD1-N 3.3Å; N228-S230 PolarHBondContact OD1-OG 3.14Å; N228-K231 HydrophobicContact CB-CG 4.18Å; N228-K231 PolarHBondContact O-N 3.29Å
229M88.6Confident92.5Very high89 Ų8960.1 Ų60.144%0.43834%0.339SS..THydrogen-bonded Turntrans-67-8.1-177.4-64.4-57.8-66.400115.4L217 S227 K244L217-M229 HydrophobicContact CD2-CE 3.97Å; L217-M229 HydrophobicContact CD2-SD 4.11Å; L217-M229 HydrophobicContact CG-CE 4.32Å; L217-M229 HydrophobicContact CG-SD 3.83Å; S227-M229 PolarHBondContact O-N 3.2Å; M229-K244 HydrophobicContact CE-CD 4.15Å; M229-K244 HydrophobicContact CE-CG 4.05Å
230S90.3Very high92.4Very high102 Ų10266.6 Ų66.671%0.71337%0.37SS*.THydrogen-bonded Turntrans-83.4-15.4176.173.80000113.9N228N228-S230 PolarHBondContact O-N 3.35Å; N228-S230 VanDerWaalsContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.47Å; N228-S230 PolarHBondContact OD1-N 3.3Å; N228-S230 PolarHBondContact OD1-OG 3.14Å
231K91.9Very high92.5Very high55 Ų5563.7 Ų63.724%0.23936%0.358CS..  trans-73.2128.5-175.5-71.3-75-168.1165.90111.9L217 N228 L242 E291L217-K231 HydrophobicContact CD1-CB 4.32Å; L217-K231 WeakPolarHBondContact CD1-O 3.35Å; N228-K231 HydrophobicContact CB-CG 4.18Å; N228-K231 PolarHBondContact O-N 3.29Å; K231-L242 HydrophobicContact CB-CD1 3.79Å; K231-E291 IonicContact NZ-OE1 2.73Å; K231-E291 PolarHBondContact NZ-OE1 3.31Å; K231-E291 IonicContact NZ-OE2 2.6Å; K231-E291 PolarHBondContact NZ-OE2 3.46Å
232A92.7Very high92.5Very high49 Ų4962.2 Ų62.241%0.40534%0.342SS..SBendtrans-91.4-33.7168.200000112.7Q240A232-Q240 WeakPolarHBondContact O-CG 3.31Å
233F95.9Very high92.5Very high7 Ų763.6 Ų63.63%0.03134%0.343CS..SBendtrans-104.1145.5-177.7-59.8-78.9000110.8G238 Q240 L242 H288 L289 E291F233-G238 VanDerWaalsContact CD1-O 3.31Å; F233-G238 WeakPolarHBondContact CD1-O 3.14Å; F233-Q240 HydrophobicContact CD1-CB 3.78Å; F233-Q240 HydrophobicContact CD1-CG 4.14Å; F233-Q240 HydrophobicContact CE1-CB 3.76Å; F233-Q240 HydrophobicContact CE1-CG 4.02Å; F233-L242 WeakPolarHBondContact O-CD1 3.42Å; F233-H288 AromaticContact CE2-CD2 3.82Å; F233-H288 AromaticContact CE2-CE1 3.8Å; F233-H288 AromaticContact CE2-NE2 3.56Å; F233-H288 AromaticContact CZ-CD2 3.89Å; F233-L289 VanDerWaalsContact CE1-C 3.47Å; F233-L289 WeakPolarHBondContact CE1-O 3.23Å; F233-E291 HydrophobicContact CB-CB 4.15Å; F233-E291 HydrophobicContact CD2-CB 3.89Å; F233-E291 HydrophobicContact CD2-CG 4.34Å; F233-E291 HydrophobicContact CG-CB 4.26Å
234C95.1Very high92.5Very high2 Ų261.1 Ų61.11%0.01433%0.332CS..  trans-72.4124.2177.5-179.90000110.5C219 C222 H236 C237 G238 N239 L242C219-C234 HydrophobicContact CB-CB 4.23Å; C222-C234 VanDerWaalsContact SG-SG 3.62Å; C234-H236 PolarHBondContact O-N 3.31Å; C234-H236 VanDerWaalsContact O-N 3.08Å; C234-C237 PolarHBondContact O-N 2.81Å; C234-G238 WeakPolarHBondContact O-CA 3.46Å; C234-G238 PolarHBondContact O-N 2.85Å; C234-N239 PolarHBondContact N-O 3.49Å; C234-L242 HydrophobicContact CB-CD2 3.99Å; C234-L242 HydrophobicContact CB-CG 4.26Å
235P92.4Very high92.6Very high78 Ų7855.5 Ų55.551%0.50631%0.312SS..THydrogen-bonded Turntrans-67-12.5-177.927.4-35.8000114.1
236H92.7Very high92.6Very high136 Ų13653.7 Ų53.763%0.6330%0.302SS*.THydrogen-bonded Turntrans-95.7-38.1178.8-175-57.1000113.3R224 C234R224-H236 HydrophobicContact CB-CB 4.3Å; R224-H236 HydrophobicContact CG-CB 4.41Å; C234-H236 PolarHBondContact O-N 3.31Å; C234-H236 VanDerWaalsContact O-N 3.08Å
237C94.9Very high92.6Very high42 Ų4253.5 Ų53.528%0.28430%0.3SS..THydrogen-bonded Turntrans-121.35.6-174.170.40000114.4C222 C234 N239C222-C237 HydrophobicContact CB-CB 4.25Å; C222-C237 VanDerWaalsContact SG-SG 3.67Å; C234-C237 PolarHBondContact O-N 2.81Å; C237-N239 PolarHBondContact O-N 2.92Å; C237-N239 PolarHBondContact O-ND2 2.92Å
238G94.4Very high92.8Very high37 Ų3753 Ų5338%0.38130%0.296SS..  trans69.5-21.8178.400000115.5F233 C234F233-G238 VanDerWaalsContact CD1-O 3.31Å; F233-G238 WeakPolarHBondContact CD1-O 3.14Å; C234-G238 WeakPolarHBondContact O-CA 3.46Å; C234-G238 PolarHBondContact O-N 2.85Å
239N95.2Very high92.8Very high91 Ų9150.4 Ų50.449%0.48728%0.283SS..SBendtrans-71149.4-173.7-67.3-52.1000113.3C234 C237 T241C234-N239 PolarHBondContact N-O 3.49Å; C237-N239 PolarHBondContact O-N 2.92Å; C237-N239 PolarHBondContact O-ND2 2.92Å; N239-T241 HydrophobicContact CB-CG2 3.69Å; N239-T241 PolarHBondContact O-N 2.9Å; N239-T241 PolarHBondContact O-OG1 3.23Å
240Q95Very high92.7Very high136 Ų13646.5 Ų46.564%0.63627%0.265SS*.SBendtrans-78.254.8175.8-156.3-172.7-1.800112.2A232 F233A232-Q240 WeakPolarHBondContact O-CG 3.31Å; F233-Q240 HydrophobicContact CD1-CB 3.78Å; F233-Q240 HydrophobicContact CD1-CG 4.14Å; F233-Q240 HydrophobicContact CE1-CB 3.76Å; F233-Q240 HydrophobicContact CE1-CG 4.02Å
241T94.7Very high92.3Very high20 Ų2044.6 Ų44.612%0.12325%0.247CC..  trans-11511.4-166.747.40000113.5C219 H220 A221 N239C219-T241 PolarHBondContact SG-OG1 3.41Å; H220-T241 VanDerWaalsContact CE1-CB 3.46Å; H220-T241 WeakPolarHBondContact CE1-CB 3.42Å; H220-T241 PolarHBondContact N-O 2.85Å; H220-T241 VanDerWaalsContact N-O 3.12Å; H220-T241 PolarHBondContact ND1-O 2.82Å; A221-T241 HydrophobicContact CB-CG2 4.23Å; N239-T241 HydrophobicContact CB-CG2 3.69Å; N239-T241 PolarHBondContact O-N 2.9Å; N239-T241 PolarHBondContact O-OG1 3.23Å
242L95.2Very high91.7Very high24 Ų2447 Ų4713%0.12626%0.262CS..EExtended strand (participates in β ladder)trans-70.3138.9176.6-68-176.8000112L217 C219 T226 K231 F233 C234L217-L242 HydrophobicContact CB-CB 4.15Å; L217-L242 HydrophobicContact CB-CD1 4.13Å; L217-L242 HydrophobicContact CB-CD2 4.17Å; L217-L242 HydrophobicContact CB-CG 4.38Å; L217-L242 HydrophobicContact CD1-CB 4.36Å; L217-L242 HydrophobicContact CD1-CD1 3.8Å; C219-L242 HydrophobicContact CB-CD2 4.09Å; T226-L242 HydrophobicContact CG2-CD1 4.18Å; T226-L242 HydrophobicContact CG2-CD2 4.34Å; K231-L242 HydrophobicContact CB-CD1 3.79Å; F233-L242 WeakPolarHBondContact O-CD1 3.42Å; C234-L242 HydrophobicContact CB-CD2 3.99Å; C234-L242 HydrophobicContact CB-CG 4.26Å
243K94.7Very high91.1Very high70 Ų7044.7 Ų44.730%0.30424%0.243SC..EExtended strand (participates in β ladder)trans-134.1135177.9-63.2-72.2179.1169.70109.6L217 R218 V265 M266L217-K243 WeakPolarHBondContact CA-O 3.36Å; R218-K243 PolarHBondContact N-O 3.32Å; R218-K243 PolarHBondContact O-N 3.32Å; K243-V265 HydrophobicContact CD-CG1 4.26Å; K243-V265 PolarHBondContact NZ-O 3.29Å; K243-M266 HydrophobicContact CB-CE 4.4Å; K243-M266 HydrophobicContact CD-SD 4.28Å; K243-M266 HydrophobicContact CG-CE 3.89Å; K243-M266 HydrophobicContact CG-SD 4.12Å
244K94Very high90.7Very high76 Ų7645.3 Ų45.333%0.3325%0.249SC..EExtended strand (participates in β ladder)trans-67.1129.2178-175.6175.2176.9-169.10110.3P55 Y215 L217 M229P55-K244 HydrophobicContact CB-CB 4.33Å; P55-K244 WeakPolarHBondContact CB-O 3.35Å; Y215-K244 HydrophobicContact CD1-CD 4.12Å; Y215-K244 HydrophobicContact CD1-CG 3.88Å; Y215-K244 HydrophobicContact CE1-CD 4.49Å; Y215-K244 HydrophobicContact CG-CD 4.37Å; Y215-K244 HydrophobicContact CG-CG 4.29Å; L217-K244 HydrophobicContact CD2-CB 4.3Å; M229-K244 HydrophobicContact CE-CD 4.15Å; M229-K244 HydrophobicContact CE-CG 4.05Å
245L92.3Very high90.3Very high11 Ų1146.1 Ų46.16%0.05825%0.253CS..EExtended strand (participates in β ladder)trans-130.1131.6179.1-172.171.9000107.8Y215 I216 R218 M257 H258 F259Y215-L245 WeakPolarHBondContact CA-O 3.32Å; I216-L245 HydrophobicContact CD1-CD2 4.44Å; I216-L245 HydrophobicContact CG1-CB 4.19Å; I216-L245 HydrophobicContact CG1-CD2 4.47Å; I216-L245 PolarHBondContact N-O 3.45Å; I216-L245 PolarHBondContact O-N 3.38Å; R218-L245 HydrophobicContact CB-CD2 4.42Å; L245-M257 HydrophobicContact CD2-CB 4.22Å; L245-M257 HydrophobicContact CD2-CG 4.44Å; L245-M257 HydrophobicContact CD2-SD 4.09Å; L245-H258 VanDerWaalsContact CD1-O 3.26Å; L245-H258 WeakPolarHBondContact CD1-O 3.37Å; L245-F259 HydrophobicContact CD1-CB 4.42Å; L245-F259 HydrophobicContact CD1-CD1 3.81Å; L245-F259 HydrophobicContact CD1-CD2 4.17Å; L245-F259 HydrophobicContact CD1-CE1 4.06Å; L245-F259 HydrophobicContact CD1-CE2 4.4Å; L245-F259 HydrophobicContact CD1-CG 3.87Å; L245-F259 HydrophobicContact CD1-CZ 4.35Å; L245-F259 HydrophobicContact CD2-CE1 4.22Å; L245-F259 HydrophobicContact CD2-CE2 4.25Å; L245-F259 HydrophobicContact CD2-CZ 3.95Å
246A91.5Very high90.2Very high10 Ų1045.3 Ų45.38%0.08324%0.242CC..EExtended strand (participates in β ladder)trans-81140.6172.300000109.9Y215 H258Y215-A246 HydrophobicContact CD1-CB 3.76Å; Y215-A246 HydrophobicContact CE1-CB 3.66Å; A246-H258 HydrophobicContact CB-CB 4.03Å; A246-H258 PolarHBondContact O-CD2 3.24Å; A246-H258 PolarHBondContact O-N 2.9Å
247V89.8Confident90.2Very high7 Ų740.5 Ų40.54%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-131.4135.4178.2179.40000108.8R213 S214 I216 V249 I255 Q256 M257R213-V247 CarbonylContact C-O 3.5Å; R213-V247 WeakPolarHBondContact CA-O 3.35Å; S214-V247 PolarHBondContact N-O 3.26Å; S214-V247 PolarHBondContact O-N 3.28Å; S214-V247 VanDerWaalsContact O-O 3.12Å; I216-V247 HydrophobicContact CD1-CG2 3.67Å; I216-V247 HydrophobicContact CG1-CG2 3.72Å; I216-V247 HydrophobicContact CG2-CG2 4.32Å; V247-V249 HydrophobicContact CG1-CG2 4.47Å; V247-I255 HydrophobicContact CG1-CG2 3.57Å; V247-Q256 CarbonylContact C-O 3.57Å; V247-Q256 VanDerWaalsContact CA-O 3.3Å; V247-Q256 WeakPolarHBondContact CA-O 3.35Å; V247-M257 HydrophobicContact CG2-CG 4.25Å
248T89.6Confident90.1Very high15 Ų1540 Ų409%0.09221%0.213CC..EExtended strand (participates in β ladder)trans-114.7120.7171.8-54.10000108.2R211 A212 Q256 H258R211-T248 HydrophobicContact CG-CG2 3.62Å; A212-T248 WeakPolarHBondContact O-CA 3.23Å; T248-Q256 PolarHBondContact N-O 3.44Å; T248-Q256 PolarHBondContact O-N 2.88Å; T248-H258 PolarHBondContact OG1-NE2 3.41Å; T248-H258 VanDerWaalsContact OG1-NE2 3.12Å
249V88.3Confident90.1Very high2 Ų240.6 Ų40.61%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-95120.5169.9-174.40000107.6I195 Q196 R211 A212 V247 S254I195-V249 HydrophobicContact CB-CG1 4.28Å; I195-V249 HydrophobicContact CG2-CG1 3.87Å; Q196-V249 HydrophobicContact CG-CG1 4.35Å; R211-V249 WeakPolarHBondContact CA-O 3.3Å; R211-V249 WeakPolarHBondContact CG-O 3.26Å; A212-V249 PolarHBondContact N-O 3.08Å; A212-V249 PolarHBondContact O-N 2.83Å; V247-V249 HydrophobicContact CG1-CG2 4.47Å; V249-S254 WeakPolarHBondContact CA-O 3.41Å
250G85.7Confident89.9Confident7 Ų737.7 Ų37.77%0.07219%0.193CC..  trans-80.2166.4173.900000112.5I195 D252 G253 S254I195-G250 WeakPolarHBondContact CG2-O 3.48Å; G250-D252 PolarHBondContact O-N 2.85Å; G250-G253 WeakPolarHBondContact O-CA 3.21Å; G250-G253 PolarHBondContact O-N 2.81Å; G250-S254 PolarHBondContact N-O 2.87Å
251D81.6Confident89.8Confident61 Ų6138.9 Ų38.933%0.32620%0.196SC..THydrogen-bonded Turntrans-61.3-32.2173.937.5-10.7000112.5R210 G253R210-D251 HydrophobicContact CB-CB 4.36Å; R210-D251 IonicContact CZ-OD2 3.32Å; R210-D251 IonicContact NE-OD2 3.1Å; R210-D251 PolarHBondContact NE-OD2 2.81Å; R210-D251 VanDerWaalsContact NE-OD2 3.1Å; R210-D251 IonicContact NH2-OD2 2.7Å; R210-D251 PolarHBondContact NH2-OD2 3.5Å; R210-D251 VanDerWaalsContact O-CA 3.32Å; R210-D251 WeakPolarHBondContact O-CA 3.45Å; R210-D251 WeakPolarHBondContact O-CB 3.31Å; R210-D251 PolarHBondContact O-N 2.66Å; R210-D251 VanDerWaalsContact O-N 3.14Å; D251-G253 PolarHBondContact O-N 3.13Å; D251-G253 VanDerWaalsContact O-N 3.11Å
252D80.6Confident89.6Confident106 Ų10639.3 Ų39.357%0.56720%0.197SC*.THydrogen-bonded Turntrans-65.4-7.2169.6-64.3-38.5000114K39 G250 S254K39-D252 PolarHBondContact NZ-O 3.42Å; G250-D252 PolarHBondContact O-N 2.85Å; D252-S254 VanDerWaalsContact C-N 3.25Å; D252-S254 PolarHBondContact O-N 3.03Å
253G79Confident89.4Confident1 Ų143.3 Ų43.31%0.0123%0.225CC..  trans77.44.8-168.100000114.2G250 D251G250-G253 WeakPolarHBondContact O-CA 3.21Å; G250-G253 PolarHBondContact O-N 2.81Å; D251-G253 PolarHBondContact O-N 3.13Å; D251-G253 VanDerWaalsContact O-N 3.11Å
254S87Confident89.1Confident20 Ų2045.2 Ų45.214%0.1423%0.233CC..  trans-67142.5176.3630000111.7V249 G250 D252V249-S254 WeakPolarHBondContact CA-O 3.41Å; G250-S254 PolarHBondContact N-O 2.87Å; D252-S254 VanDerWaalsContact C-N 3.25Å; D252-S254 PolarHBondContact O-N 3.03Å
255I87.5Confident88.9Confident19 Ų1942.3 Ų42.310%0.09722%0.222CC..EExtended strand (participates in β ladder)trans-114.8111-172.7-57.3-179.8000109.5K45 V46 T47 V247 M257K45-I255 PolarHBondContact O-N 2.94Å; V46-I255 CarbonylContact C-O 3.56Å; V46-I255 VanDerWaalsContact CA-O 3.29Å; V46-I255 WeakPolarHBondContact CA-O 3.13Å; T47-I255 PolarHBondContact N-O 3.34Å; V247-I255 HydrophobicContact CG1-CG2 3.57Å; I255-M257 HydrophobicContact CG2-CE 4.16Å; I255-M257 HydrophobicContact CG2-CG 4.34Å
256Q91Very high88.9Confident61 Ų6146.9 Ų46.929%0.28524%0.244SC..EExtended strand (participates in β ladder)trans-99.4118176.5-53.7-171.8-200110.5T47 V247 T248T47-Q256 CarbonylContact O-C 3.55Å; T47-Q256 WeakPolarHBondContact O-CA 3.33Å; V247-Q256 CarbonylContact C-O 3.57Å; V247-Q256 VanDerWaalsContact CA-O 3.3Å; V247-Q256 WeakPolarHBondContact CA-O 3.35Å; T248-Q256 PolarHBondContact N-O 3.44Å; T248-Q256 PolarHBondContact O-N 2.88Å
257M92.6Very high88.9Confident34 Ų3449.9 Ų49.917%0.16726%0.259CS..EExtended strand (participates in β ladder)trans-102.4124.3179.2-64.8-165.5-177.100111.2V46 T47 Q49 L245 V247 I255 F259V46-M257 HydrophobicContact CG1-CE 4.21Å; V46-M257 HydrophobicContact CG1-CG 4.28Å; V46-M257 HydrophobicContact CG1-SD 4.31Å; T47-M257 PolarHBondContact O-N 3.11Å; Q49-M257 PolarHBondContact N-O 3.48Å; Q49-M257 VanDerWaalsContact O-O 3.09Å; L245-M257 HydrophobicContact CD2-CB 4.22Å; L245-M257 HydrophobicContact CD2-CG 4.44Å; L245-M257 HydrophobicContact CD2-SD 4.09Å; V247-M257 HydrophobicContact CG2-CG 4.25Å; I255-M257 HydrophobicContact CG2-CE 4.16Å; I255-M257 HydrophobicContact CG2-CG 4.34Å; M257-F259 HydrophobicContact CB-CD2 4.13Å; M257-F259 HydrophobicContact CB-CE2 3.61Å; M257-F259 HydrophobicContact SD-CE2 4.34Å; M257-F259 HydrophobicContact SD-CZ 4.48Å
258H92.2Very high88.9Confident31 Ų3154.1 Ų54.114%0.14429%0.286CS..EExtended strand (participates in β ladder)trans-101.591.1-172.2-63.6-90.8000112.1Q49 L245 A246 T248Q49-H258 PolarHBondContact OE1-CE1 3.35Å; Q49-H258 PolarHBondContact OE1-ND1 3.35Å; L245-H258 VanDerWaalsContact CD1-O 3.26Å; L245-H258 WeakPolarHBondContact CD1-O 3.37Å; A246-H258 HydrophobicContact CB-CB 4.03Å; A246-H258 PolarHBondContact O-CD2 3.24Å; A246-H258 PolarHBondContact O-N 2.9Å; T248-H258 PolarHBondContact OG1-NE2 3.41Å; T248-H258 VanDerWaalsContact OG1-NE2 3.12Å
259F93.9Very high89Confident50 Ų5063.5 Ų63.522%0.21932%0.32CS..EExtended strand (participates in β ladder)trans-82.6121.4-176.9-74-96000113.1I48 Q49 S50 T51 L245 M257 K261I48-F259 HydrophobicContact CG1-CE2 4.21Å; I48-F259 HydrophobicContact CG2-CD2 3.56Å; I48-F259 HydrophobicContact CG2-CE2 3.89Å; I48-F259 HydrophobicContact CG2-CG 4.43Å; Q49-F259 PolarHBondContact O-N 3.48Å; S50-F259 CarbonylContact C-O 3.56Å; S50-F259 VanDerWaalsContact CA-O 3.23Å; S50-F259 WeakPolarHBondContact CA-O 3.37Å; S50-F259 PolarHBondContact OG-O 3.03Å; T51-F259 PolarHBondContact N-O 3.03Å; L245-F259 HydrophobicContact CD1-CB 4.42Å; L245-F259 HydrophobicContact CD1-CD1 3.81Å; L245-F259 HydrophobicContact CD1-CD2 4.17Å; L245-F259 HydrophobicContact CD1-CE1 4.06Å; L245-F259 HydrophobicContact CD1-CE2 4.4Å; L245-F259 HydrophobicContact CD1-CG 3.87Å; L245-F259 HydrophobicContact CD1-CZ 4.35Å; L245-F259 HydrophobicContact CD2-CE1 4.22Å; L245-F259 HydrophobicContact CD2-CE2 4.25Å; L245-F259 HydrophobicContact CD2-CZ 3.95Å; M257-F259 HydrophobicContact CB-CD2 4.13Å; M257-F259 HydrophobicContact CB-CE2 3.61Å; M257-F259 HydrophobicContact SD-CE2 4.34Å; M257-F259 HydrophobicContact SD-CZ 4.48Å; F259-K261 PolarHBondContact O-N 2.77Å
260S92.4Very high89.1Confident30 Ų3064.3 Ų64.321%0.2133%0.329CS..EExtended strand (participates in β ladder)trans-71.5119.1171.2161.80000111.8T51 R53 N262 V265T51-S260 CarbonylContact O-C 3.57Å; T51-S260 WeakPolarHBondContact O-CA 3.38Å; R53-S260 WeakPolarHBondContact O-CB 3.37Å; R53-S260 PolarHBondContact O-OG 3.37Å; S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 VanDerWaalsContact OG-CB 3.25Å; S260-N262 WeakPolarHBondContact OG-CB 3.45Å; S260-N262 PolarHBondContact OG-N 2.76Å; S260-N262 VanDerWaalsContact OG-N 3.12Å; S260-V265 WeakPolarHBondContact OG-CG2 3.46Å
261K91.6Very high89.3Confident161 Ų16168.7 Ų68.770%0.735%0.354SS*.  trans-77.5-5.6166-87.9168.2-175.1175.10113.7S50 T51 F259 P263S50-K261 WeakPolarHBondContact OG-CD 3.48Å; S50-K261 WeakPolarHBondContact OG-CE 3.13Å; S50-K261 VanDerWaalsContact OG-CG 3.24Å; S50-K261 WeakPolarHBondContact OG-CG 3.38Å; T51-K261 PolarHBondContact O-N 3.38Å; F259-K261 PolarHBondContact O-N 2.77Å; K261-P263 WeakPolarHBondContact O-CD 3.21Å
262N91.3Very high89.9Confident29 Ų2976.6 Ų76.616%0.15538%0.379CS..  trans-60.2119.5-177.4-166.4-56.9000111.6Q52 S260 K264 V265Q52-N262 PolarHBondContact O-ND2 3.03Å; S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 VanDerWaalsContact OG-CB 3.25Å; S260-N262 WeakPolarHBondContact OG-CB 3.45Å; S260-N262 PolarHBondContact OG-N 2.76Å; S260-N262 VanDerWaalsContact OG-N 3.12Å; N262-K264 PolarHBondContact O-N 3.06Å; N262-K264 VanDerWaalsContact O-N 3.13Å; N262-K264 VanDerWaalsContact OD1-CB 3.28Å; N262-K264 WeakPolarHBondContact OD1-CB 3.39Å; N262-K264 WeakPolarHBondContact OD1-CG 3.22Å; N262-K264 PolarHBondContact OD1-N 2.73Å; N262-V265 HydrophobicContact CB-CG2 4.21Å; N262-V265 WeakPolarHBondContact O-CB 3.3Å; N262-V265 PolarHBondContact O-N 2.85Å; N262-V265 VanDerWaalsContact O-N 3.09Å
263P89.9Confident90.5Very high108 Ų10875.1 Ų75.170%0.70137%0.369SS*.THydrogen-bonded Turntrans-65.9-19.6-173.626.2-35000113.2K261 V265 M266K261-P263 WeakPolarHBondContact O-CD 3.21Å; P263-V265 PolarHBondContact O-N 3.1Å; P263-M266 PolarHBondContact O-N 3.06Å
264K89.6Confident91.3Very high110 Ų11080.8 Ų80.848%0.47841%0.408SS..THydrogen-bonded Turntrans-65.2-23.3176.4-57.7174.3-173.3172.50112S106 N262S106-K264 PolarHBondContact O-NZ 2.89Å; S106-K264 PolarHBondContact OG-NZ 2.87Å; N262-K264 PolarHBondContact O-N 3.06Å; N262-K264 VanDerWaalsContact O-N 3.13Å; N262-K264 VanDerWaalsContact OD1-CB 3.28Å; N262-K264 WeakPolarHBondContact OD1-CB 3.39Å; N262-K264 WeakPolarHBondContact OD1-CG 3.22Å; N262-K264 PolarHBondContact OD1-N 2.73Å
265V90.4Very high91.6Very high16 Ų1684.1 Ų84.110%0.09742%0.424CS..THydrogen-bonded Turntrans-70.2-39.8-179.6179.40000112.7H54 P55 K243 S260 N262 P263H54-V265 VanDerWaalsContact CD2-CG2 3.45Å; H54-V265 WeakPolarHBondContact CD2-CG2 3.38Å; P55-V265 VanDerWaalsContact CD-CG2 3.41Å; P55-V265 HydrophobicContact CG-CG2 4Å; K243-V265 HydrophobicContact CD-CG1 4.26Å; K243-V265 PolarHBondContact NZ-O 3.29Å; S260-V265 WeakPolarHBondContact OG-CG2 3.46Å; N262-V265 HydrophobicContact CB-CG2 4.21Å; N262-V265 WeakPolarHBondContact O-CB 3.3Å; N262-V265 PolarHBondContact O-N 2.85Å; N262-V265 VanDerWaalsContact O-N 3.09Å; P263-V265 PolarHBondContact O-N 3.1Å
266M90.5Very high91.9Very high107 Ų10787 Ų8753%0.52744%0.444SS..THydrogen-bonded Turntrans-110.946.5-176.5-60.4-57.9-174.400111.3H220 K243 P263H220-M266 HydrophobicContact CB-CE 3.91Å; H220-M266 HydrophobicContact CB-SD 4.17Å; K243-M266 HydrophobicContact CB-CE 4.4Å; K243-M266 HydrophobicContact CD-SD 4.28Å; K243-M266 HydrophobicContact CG-CE 3.89Å; K243-M266 HydrophobicContact CG-SD 4.12Å; P263-M266 PolarHBondContact O-N 3.06Å
267N91.4Very high92.1Very high73 Ų7391 Ų9139%0.3947%0.467SS..  trans-92.6122.4179.9-167.5-22.7000111.2R269N267-R269 VanDerWaalsContact C-N 3.29Å; N267-R269 PolarHBondContact O-N 3.15Å; N267-R269 VanDerWaalsContact OD1-CB 3.27Å; N267-R269 WeakPolarHBondContact OD1-CB 3.26Å; N267-R269 WeakPolarHBondContact OD1-CG 3.23Å; N267-R269 PolarHBondContact OD1-N 3.2Å
268P91.2Very high92.2Very high96 Ų9695 Ų9562%0.62350%0.495SS*.  trans-77.5-7.6178.431.3-35.7000114G270 T271P268-G270 PolarHBondContact O-N 2.88Å; P268-T271 WeakPolarHBondContact O-CB 3.32Å; P268-T271 WeakPolarHBondContact O-CG2 3.33Å; P268-T271 PolarHBondContact O-N 2.89Å; P268-T271 PolarHBondContact O-OG1 2.77Å
269R92.1Very high92.3Very high211 Ų211102.4 Ų102.480%0.79652%0.522SS*.THydrogen-bonded Turntrans-58130.4-178.4-73177.8-175.9-168.60.5111.5N267 T271N267-R269 VanDerWaalsContact C-N 3.29Å; N267-R269 PolarHBondContact O-N 3.15Å; N267-R269 VanDerWaalsContact OD1-CB 3.27Å; N267-R269 WeakPolarHBondContact OD1-CB 3.26Å; N267-R269 WeakPolarHBondContact OD1-CG 3.23Å; N267-R269 PolarHBondContact OD1-N 3.2Å; R269-T271 VanDerWaalsContact C-N 3.33Å
270G89.3Confident92.4Very high19 Ų19103.5 Ų103.520%0.19655%0.547CS..THydrogen-bonded Turntrans82.5-0.7177.900000115.8P268 N349P268-G270 PolarHBondContact O-N 2.88Å; G270-N349 WeakPolarHBondContact CA-OD1 3.48Å
271T90.6Very high92.4Very high99 Ų99104.8 Ų104.861%0.60757%0.566SS**THydrogen-bonded Turntrans-72.7-52.9173.7590000111.3P268 R269 H273P268-T271 WeakPolarHBondContact O-CB 3.32Å; P268-T271 WeakPolarHBondContact O-CG2 3.33Å; P268-T271 PolarHBondContact O-N 2.89Å; P268-T271 PolarHBondContact O-OG1 2.77Å; R269-T271 VanDerWaalsContact C-N 3.33Å; T271-H273 PolarHBondContact O-N 3.12Å; T271-H273 PolarHBondContact O-ND1 2.92Å
272R94.4Very high92.5Very high227 Ų227105.7 Ų105.786%0.85757%0.57SS**  trans-79.8117.3178-170.6176.5-179.5-177.3-0111.7N351R272-N351 PolarHBondContact O-ND2 3.39Å
273H93.3Very high92.5Very high76 Ų76109.6 Ų109.635%0.35259%0.587SS.*  trans-154.7160.3174.661.5-77.2000109.8T271 L275 P350 N351T271-H273 PolarHBondContact O-N 3.12Å; T271-H273 PolarHBondContact O-ND1 2.92Å; H273-L275 PolarHBondContact O-N 3.19Å; H273-P350 HydrophobicContact CB-CB 4.08Å; H273-N351 WeakPolarHBondContact CB-OD1 3.19Å
274S94.3Very high92.6Very high119 Ų119105 Ų10583%0.83256%0.558SS**PPolyproline II helixtrans-72.4126.1178.5-56.40000110.9
275L93.8Very high92.6Very high91 Ų91103.9 Ų103.948%0.47657%0.569SS.*PPolyproline II helixtrans-86.8148.1175.4-63.2177.4000110.9H273 P287 L289H273-L275 PolarHBondContact O-N 3.19Å; L275-P287 HydrophobicContact CD2-CG 4.29Å; L275-L289 HydrophobicContact CD1-CD1 4.13Å; L275-L289 HydrophobicContact CD1-CD2 4.37Å
276P94Very high92.7Very high80 Ų80105.6 Ų105.652%0.51958%0.577SS.*PPolyproline II helixtrans-68152.7171.430.6-35.4000111P287P276-P287 HydrophobicContact CG-CG 4Å
277L95.4Very high92.7Very high144 Ų144102.7 Ų102.775%0.75457%0.567SS**PPolyproline II helixtrans-54.4137.5169.5-70.4163.8000110.4R279L277-R279 PolarHBondContact O-N 2.77Å
278P95.4Very high92.8Very high118 Ų118103.7 Ų103.777%0.76657%0.569SS**PPolyproline II helixtrans-63.2131.3-179.226.4-34.2000110.7
279R94.1Very high93Very high186 Ų186103.7 Ų103.770%0.70256%0.563SS**  trans-117.3140.8179.3-65-178.6-177.5-165.5-2.4111.3L277 A284 N286L277-R279 PolarHBondContact O-N 2.77Å; R279-A284 HydrophobicContact CB-CB 4.3Å; R279-A284 VanDerWaalsContact O-CB 3.23Å; R279-A284 WeakPolarHBondContact O-CB 3.48Å; R279-N286 PolarHBondContact N-OD1 3.41Å; R279-N286 VanDerWaalsContact N-OD1 3.13Å; R279-N286 PolarHBondContact O-ND2 3.33Å; R279-N286 PolarHBondContact O-OD1 3.12Å
280G94.6Very high93.1Very high73 Ų7396.8 Ų96.875%0.75354%0.544SS*.  trans-99.5-179.4171.600000113.2
281G94Very high93.3Very high58 Ų58100.6 Ų100.660%0.59856%0.557SS**SBendtrans96.6172.4174.700000115.2H283 A284 P296G281-H283 PolarHBondContact O-N 2.85Å; G281-A284 PolarHBondContact O-N 3.32Å; G281-P296 WeakPolarHBondContact O-CG 3.41Å
282K92.8Very high93.4Very high180 Ų180102.3 Ų102.378%0.78356%0.563SS**THydrogen-bonded Turntrans-61.3-20.6-168.6-61.3-178.7-177.9178.70114.8P296K282-P296 VanDerWaalsContact O-CB 3.31Å; K282-P296 WeakPolarHBondContact O-CB 3.48Å
283H91.4Very high93.4Very high111 Ų11193.5 Ų93.551%0.51453%0.531SS..THydrogen-bonded Turntrans-12617.1-174.2-54.9-49.4000113.2G281G281-H283 PolarHBondContact O-N 2.85Å
284A92.3Very high93.5Very high12 Ų12101.3 Ų101.310%0.09956%0.557CS.*  trans-62.5139.7172.300000111.2R279 G281 P296 Q298R279-A284 HydrophobicContact CB-CB 4.3Å; R279-A284 VanDerWaalsContact O-CB 3.23Å; R279-A284 WeakPolarHBondContact O-CB 3.48Å; G281-A284 PolarHBondContact O-N 3.32Å; A284-P296 HydrophobicContact CB-CG 4.4Å; A284-Q298 PolarHBondContact O-NE2 3.16Å; A284-Q298 VanDerWaalsContact O-NE2 3.1Å
285A88.4Confident93.4Very high85 Ų85100.2 Ų100.270%0.70254%0.538SS*.  trans-131.773.9178.900000108.7
286N92.7Very high93.4Very high52 Ų5297.9 Ų97.928%0.27853%0.528SS..  trans-79.5151.2177.3-58.9-35.8000109.9R279R279-N286 PolarHBondContact N-OD1 3.41Å; R279-N286 VanDerWaalsContact N-OD1 3.13Å; R279-N286 PolarHBondContact O-ND2 3.33Å; R279-N286 PolarHBondContact O-OD1 3.12Å
287P92.3Very high93.3Very high47 Ų47101.5 Ų101.531%0.30554%0.538SS..  trans-56.6150.6171.1-23.734.5000112L275 P276 L289 Q293L275-P287 HydrophobicContact CD2-CG 4.29Å; P276-P287 HydrophobicContact CG-CG 4Å; P287-L289 HydrophobicContact CB-CD2 4.17Å; P287-L289 HydrophobicContact CB-CG 4.39Å; P287-Q293 PolarHBondContact O-NE2 2.93Å; P287-Q293 PolarHBondContact O-OE1 3.1Å
288H93.1Very high93.1Very high94 Ų9498.1 Ų98.144%0.43552%0.518SS..  trans-88.4110.9177.6-167.1-177.7000109.8F233 V290 F295F233-H288 AromaticContact CE2-CD2 3.82Å; F233-H288 AromaticContact CE2-CE1 3.8Å; F233-H288 AromaticContact CE2-NE2 3.56Å; F233-H288 AromaticContact CZ-CD2 3.89Å; H288-V290 PolarHBondContact CD2-O 3.44Å; H288-V290 PolarHBondContact NE2-O 3.17Å; H288-V290 VanDerWaalsContact NE2-O 3.15Å; H288-F295 HydrophobicContact CB-CZ 3.76Å; H288-F295 AromaticContact CD2-CE2 3.68Å; H288-F295 AromaticContact CD2-CZ 3.64Å; H288-F295 AromaticContact CG-CE2 3.97Å; H288-F295 AromaticContact CG-CZ 3.67Å; H288-F295 AromaticContact NE2-CE2 3.83Å
289L94.2Very high92.9Very high96 Ų96100.5 Ų100.550%0.50351%0.512SS..  trans-118-25.7-169.5-58.6178.6000114F233 L275 P287F233-L289 VanDerWaalsContact CE1-C 3.47Å; F233-L289 WeakPolarHBondContact CE1-O 3.23Å; L275-L289 HydrophobicContact CD1-CD1 4.13Å; L275-L289 HydrophobicContact CD1-CD2 4.37Å; P287-L289 HydrophobicContact CB-CD2 4.17Å; P287-L289 HydrophobicContact CB-CG 4.39Å
290V95Very high92.9Very high66 Ų6693.2 Ų93.240%0.449%0.487SS..SBendtrans-139.7154.3179-62.20000110.4H288 D292 Q293H288-V290 PolarHBondContact CD2-O 3.44Å; H288-V290 PolarHBondContact NE2-O 3.17Å; H288-V290 VanDerWaalsContact NE2-O 3.15Å; V290-D292 WeakPolarHBondContact CG2-OD1 3.24Å; V290-D292 PolarHBondContact O-N 3.09Å; V290-Q293 HydrophobicContact CG2-CB 3.85Å; V290-Q293 VanDerWaalsContact O-CB 3.24Å; V290-Q293 WeakPolarHBondContact O-CB 3.21Å; V290-Q293 PolarHBondContact O-N 3.01Å
291E93.1Very high92.9Very high98 Ų9891.3 Ų91.346%0.45846%0.462SS..THydrogen-bonded Turntrans-63.6-40.2-173-167-175148.700113.6K231 F233 Q293K231-E291 IonicContact NZ-OE1 2.73Å; K231-E291 PolarHBondContact NZ-OE1 3.31Å; K231-E291 IonicContact NZ-OE2 2.6Å; K231-E291 PolarHBondContact NZ-OE2 3.46Å; F233-E291 HydrophobicContact CB-CB 4.15Å; F233-E291 HydrophobicContact CD2-CB 3.89Å; F233-E291 HydrophobicContact CD2-CG 4.34Å; F233-E291 HydrophobicContact CG-CB 4.26Å; E291-Q293 PolarHBondContact O-N 2.88Å
292D94Very high92.9Very high136 Ų13698.9 Ų98.973%0.72747%0.473SS*.THydrogen-bonded Turntrans-85.613-177.166.1-43.8000113.3V290 R294V290-D292 WeakPolarHBondContact CG2-OD1 3.24Å; V290-D292 PolarHBondContact O-N 3.09Å; D292-R294 PolarHBondContact O-N 3.44Å
293Q94.4Very high92.9Very high41 Ų4193.7 Ų93.719%0.19245%0.45CS..  trans-62.9122.3-176.3-175170.6-21.300112P287 V290 E291 F295P287-Q293 PolarHBondContact O-NE2 2.93Å; P287-Q293 PolarHBondContact O-OE1 3.1Å; V290-Q293 HydrophobicContact CG2-CB 3.85Å; V290-Q293 VanDerWaalsContact O-CB 3.24Å; V290-Q293 WeakPolarHBondContact O-CB 3.21Å; V290-Q293 PolarHBondContact O-N 3.01Å; E291-Q293 PolarHBondContact O-N 2.88Å; Q293-F295 HydrophobicContact CB-CE2 3.87Å; Q293-F295 HydrophobicContact CB-CZ 4.11Å; Q293-F295 HydrophobicContact CG-CE1 4.32Å; Q293-F295 HydrophobicContact CG-CE2 3.89Å; Q293-F295 HydrophobicContact CG-CZ 3.75Å; Q293-F295 WeakPolarHBondContact O-CD2 3.31Å; Q293-F295 WeakPolarHBondContact O-CE2 3.16Å; Q293-F295 PolarHBondContact O-N 3.35Å
294R93.8Very high93Very high241 Ų24190.2 Ų90.291%0.90944%0.44SS*.  trans-75.7120.5178.6-61.8-177.6-178.7-174.1-0.2111.1D292D292-R294 PolarHBondContact O-N 3.44Å
295F93.1Very high93Very high95 Ų9596.8 Ų96.842%0.41746%0.463SS..  trans-107.7141.8173.4-65.9-80000111.6H288 Q293H288-F295 HydrophobicContact CB-CZ 3.76Å; H288-F295 AromaticContact CD2-CE2 3.68Å; H288-F295 AromaticContact CD2-CZ 3.64Å; H288-F295 AromaticContact CG-CE2 3.97Å; H288-F295 AromaticContact CG-CZ 3.67Å; H288-F295 AromaticContact NE2-CE2 3.83Å; Q293-F295 HydrophobicContact CB-CE2 3.87Å; Q293-F295 HydrophobicContact CB-CZ 4.11Å; Q293-F295 HydrophobicContact CG-CE1 4.32Å; Q293-F295 HydrophobicContact CG-CE2 3.89Å; Q293-F295 HydrophobicContact CG-CZ 3.75Å; Q293-F295 WeakPolarHBondContact O-CD2 3.31Å; Q293-F295 WeakPolarHBondContact O-CE2 3.16Å; Q293-F295 PolarHBondContact O-N 3.35Å
296P93.3Very high93.1Very high43 Ų4397.7 Ų97.728%0.27945%0.452SS..  trans-59147.1169.1-2233.4000111.5G281 K282 A284 Q298G281-P296 WeakPolarHBondContact O-CG 3.41Å; K282-P296 VanDerWaalsContact O-CB 3.31Å; K282-P296 WeakPolarHBondContact O-CB 3.48Å; A284-P296 HydrophobicContact CB-CG 4.4Å; P296-Q298 VanDerWaalsContact C-N 3.32Å; P296-Q298 PolarHBondContact O-N 3.26Å
297Q91.9Very high93Very high155 Ų155102.8 Ų102.872%0.72447%0.472SS*.  trans-72.781.7-178.2-64-168.517.200112.4R299Q297-R299 PolarHBondContact O-N 3.39Å
298Q91.1Very high93Very high73 Ų73102.9 Ų102.934%0.34147%0.472SS..  trans-92.277.5176-63.1-171.826.800110.1A284 P296 I336A284-Q298 PolarHBondContact O-NE2 3.16Å; A284-Q298 VanDerWaalsContact O-NE2 3.1Å; P296-Q298 VanDerWaalsContact C-N 3.32Å; P296-Q298 PolarHBondContact O-N 3.26Å; Q298-I336 HydrophobicContact CB-CD1 3.87Å; Q298-I336 HydrophobicContact CB-CG1 4.27Å; Q298-I336 HydrophobicContact CB-CG2 4.39Å; Q298-I336 HydrophobicContact CG-CD1 4.49Å; Q298-I336 WeakPolarHBondContact O-CG2 3.48Å
299R92Very high92.9Very high168 Ų168102.8 Ų102.863%0.63448%0.475SS*.PPolyproline II helixtrans-94.4140.4-175.8-70.4178.8173.4-174.6-0.9112.2Q297Q297-R299 PolarHBondContact O-N 3.39Å
300L94.3Very high92.7Very high34 Ų34102.2 Ų102.218%0.17848%0.475CS..PPolyproline II helixtrans-69149.1168.1-67.4177.1000111.4A304 R305 I336 D338L300-A304 HydrophobicContact CB-CB 4.1Å; L300-A304 HydrophobicContact CD2-CB 4.18Å; L300-R305 HydrophobicContact CB-CG 3.9Å; L300-R305 HydrophobicContact CD1-CG 4.39Å; L300-R305 PolarHBondContact O-NE 3.12Å; L300-R305 PolarHBondContact O-NH2 3.39Å; L300-I336 HydrophobicContact CD2-CB 4.15Å; L300-I336 HydrophobicContact CD2-CG2 3.78Å; L300-I336 WeakPolarHBondContact CD2-O 3.46Å; L300-I336 HydrophobicContact CG-CG2 4.24Å; L300-D338 HydrophobicContact CD1-CB 4.04Å
301S94.6Very high92.6Very high32 Ų32108.2 Ų108.222%0.22450%0.496CS..PPolyproline II helixtrans-64.4169.8171.774.90000111.9K303 A304 R305 D326S301-K303 PolarHBondContact OG-N 3.04Å; S301-A304 VanDerWaalsContact OG-CB 3.32Å; S301-A304 WeakPolarHBondContact OG-CB 3.45Å; S301-A304 PolarHBondContact OG-N 3.15Å; S301-R305 WeakPolarHBondContact O-CG 3.25Å; S301-R305 PolarHBondContact O-N 3.02Å; S301-D326 VanDerWaalsContact CB-OD2 3.31Å; S301-D326 WeakPolarHBondContact CB-OD2 3.44Å; S301-D326 PolarHBondContact OG-OD2 3.11Å
302R93.3Very high92.4Very high218 Ų218107.2 Ų107.282%0.82349%0.494SS*.SBendtrans-61.3-45.4173.3-174.1177.1178.4-177-1.2110.9A304 R305 Q306R302-A304 PolarHBondContact O-N 3.31Å; R302-R305 PolarHBondContact O-N 3.22Å; R302-R305 VanDerWaalsContact O-N 3.16Å; R302-Q306 PolarHBondContact O-N 2.82Å
303K93.7Very high92.2Very high70 Ų70106.8 Ų106.830%0.30450%0.499SS..G310 helixtrans-60-45.1179-169.4174.8-170.4178.70112.1S301 R305 Q306 Q324 N325 D326S301-K303 PolarHBondContact OG-N 3.04Å; K303-R305 PolarHBondContact O-N 3.36Å; K303-R305 VanDerWaalsContact O-N 3.1Å; K303-Q306 PolarHBondContact O-N 2.95Å; K303-Q306 VanDerWaalsContact O-N 3.17Å; K303-Q324 VanDerWaalsContact CE-O 3.23Å; K303-Q324 WeakPolarHBondContact CE-O 3.36Å; K303-N325 WeakPolarHBondContact CE-O 3.39Å; K303-D326 HydrophobicContact CB-CB 4.21Å; K303-D326 HydrophobicContact CD-CB 4.39Å; K303-D326 HydrophobicContact CG-CB 4.25Å
304A92.8Very high91.8Very high38 Ų38111.7 Ų111.731%0.31453%0.526SS..G310 helixtrans-67.3-7.9178.500000115.2L300 S301 R302 D326L300-A304 HydrophobicContact CB-CB 4.1Å; L300-A304 HydrophobicContact CD2-CB 4.18Å; S301-A304 VanDerWaalsContact OG-CB 3.32Å; S301-A304 WeakPolarHBondContact OG-CB 3.45Å; S301-A304 PolarHBondContact OG-N 3.15Å; R302-A304 PolarHBondContact O-N 3.31Å; A304-D326 HydrophobicContact CB-CB 3.86Å
305R92.3Very high91.5Very high150 Ų150103.7 Ų103.757%0.56650%0.496SS*.G310 helixtrans-104.9-11.8175.8-65178-156.1-157.36.6113.4L300 S301 R302 K303L300-R305 HydrophobicContact CB-CG 3.9Å; L300-R305 HydrophobicContact CD1-CG 4.39Å; L300-R305 PolarHBondContact O-NE 3.12Å; L300-R305 PolarHBondContact O-NH2 3.39Å; S301-R305 WeakPolarHBondContact O-CG 3.25Å; S301-R305 PolarHBondContact O-N 3.02Å; R302-R305 PolarHBondContact O-N 3.22Å; R302-R305 VanDerWaalsContact O-N 3.16Å; K303-R305 PolarHBondContact O-N 3.36Å; K303-R305 VanDerWaalsContact O-N 3.1Å
306Q90.8Very high90.8Very high104 Ų104105.1 Ų105.149%0.48651%0.513SS..  trans-65.4139175.6-72.2171.4-47.900108.9R302 K303R302-Q306 PolarHBondContact O-N 2.82Å; K303-Q306 PolarHBondContact O-N 2.95Å; K303-Q306 VanDerWaalsContact O-N 3.17Å
307K91.1Very high89.8Confident159 Ų159106.3 Ų106.369%0.69153%0.526SS*.  trans-120.3154.8168.4-65.3-178.9-180178.40106.6D309K307-D309 PolarHBondContact O-N 2.98Å
308T91.2Very high89Confident50 Ų50101.6 Ų101.631%0.30752%0.519SS..  trans-73.3123.6167.3-50.80000108.4V310 Y315 P321 F322 C323T308-V310 HydrophobicContact CG2-CG2 3.87Å; T308-Y315 HydrophobicContact CG2-CE2 3.89Å; T308-P321 WeakPolarHBondContact CG2-O 3.19Å; T308-F322 WeakPolarHBondContact OG1-CA 3.46Å; T308-C323 PolarHBondContact N-SG 3.22Å; T308-C323 PolarHBondContact OG1-N 3.44Å
309D90.7Very high88.7Confident92 Ų92103.9 Ų103.949%0.49255%0.55SS.*  trans-107.5122.9158.8-165.1-20.6000107.1K307 F311 D312 Y315K307-D309 PolarHBondContact O-N 2.98Å; D309-F311 PolarHBondContact OD1-N 2.76Å; D309-D312 HydrophobicContact CB-CB 4.14Å; D309-Y315 WeakPolarHBondContact O-CD2 3.34Å
310V91Very high88.5Confident84 Ų8498.8 Ų98.851%0.50954%0.541SS..SBendtrans-90.5-14.2-176.2-177.40000110.8T308 Y315T308-V310 HydrophobicContact CG2-CG2 3.87Å; V310-Y315 HydrophobicContact CG1-CD1 4.38Å; V310-Y315 HydrophobicContact CG1-CE1 4.01Å
311F91.5Very high88.3Confident192 Ų192100.2 Ų100.284%0.84255%0.552SS**SBendtrans-106.86.5-179.5-57.3-68.1000112.9D309D309-F311 PolarHBondContact OD1-N 2.76Å
312D90.1Very high88.1Confident77 Ų77106 Ų10641%0.41257%0.573SS.*  trans-63.8129.6169.3-171.4-40000108.9D309 D314 Y315D309-D312 HydrophobicContact CB-CB 4.14Å; D312-D314 PolarHBondContact O-N 3.49Å; D312-D314 PolarHBondContact OD1-N 2.87Å; D312-Y315 WeakPolarHBondContact O-CB 3.47Å; D312-Y315 PolarHBondContact O-N 3.13Å
313P88.8Confident87.9Confident127 Ų12798 Ų9883%0.82555%0.55SS*.THydrogen-bonded Turntrans-60-24.4179.425.5-36000113.5Y315P313-Y315 VanDerWaalsContact C-N 3.31Å
314D86.2Confident87.8Confident143 Ų143101 Ų10177%0.76557%0.565SS**THydrogen-bonded Turntrans-88.74.8175.8-65.3-23.9000112.5D312 V316D312-D314 PolarHBondContact O-N 3.49Å; D312-D314 PolarHBondContact OD1-N 2.87Å; D314-V316 PolarHBondContact O-N 3.41Å
315Y87Confident87.8Confident73 Ų73105.7 Ų105.729%0.28659%0.585SS.*  trans-71.186.9176.9-177.2-100.1000111.6T308 D309 V310 D312 P313 A317 P321T308-Y315 HydrophobicContact CG2-CE2 3.89Å; D309-Y315 WeakPolarHBondContact O-CD2 3.34Å; V310-Y315 HydrophobicContact CG1-CD1 4.38Å; V310-Y315 HydrophobicContact CG1-CE1 4.01Å; D312-Y315 WeakPolarHBondContact O-CB 3.47Å; D312-Y315 PolarHBondContact O-N 3.13Å; P313-Y315 VanDerWaalsContact C-N 3.31Å; Y315-A317 HydrophobicContact CE1-CB 4.2Å; Y315-P321 VanDerWaalsContact OH-CA 3.26Å; Y315-P321 WeakPolarHBondContact OH-CA 3.24Å; Y315-P321 VanDerWaalsContact OH-CB 3.3Å; Y315-P321 WeakPolarHBondContact OH-CB 3.18Å; Y315-P321 PolarHBondContact OH-O 3.09Å; Y315-P321 VanDerWaalsContact OH-O 3.12Å
316V78.9Confident87.9Confident126 Ų126100 Ų10076%0.76457%0.565SS**  trans-88119.3161.2-177.40000108.5D314 G318D314-V316 PolarHBondContact O-N 3.41Å; V316-G318 PolarHBondContact O-N 2.97Å
317A73.1Confident88.1Confident68 Ų68100 Ų10056%0.56257%0.568SS**  trans-67.185.1170.200000109.9Y315Y315-A317 HydrophobicContact CE1-CB 4.2Å
318G75.4Confident88.3Confident55 Ų55101.7 Ų101.757%0.56757%0.571SS**  trans-74.3-140.6176.300000112V316 S320V316-G318 PolarHBondContact O-N 2.97Å; G318-S320 PolarHBondContact O-N 3.24Å
319A83.8Confident88.5Confident122 Ų122100.7 Ų100.7100%1.00857%0.567SS**SBendtrans-62.9-9.5-178.500000115.5
320S88.3Confident88.6Confident61 Ų61106 Ų10643%0.42758%0.58SS.*  trans-155.3135.7175.8165.10000109.4G318 F322G318-S320 PolarHBondContact O-N 3.24Å; S320-F322 PolarHBondContact O-N 3.01Å; S320-F322 PolarHBondContact OG-N 3.23Å; S320-F322 PolarHBondContact OG-O 2.9Å
321P89.9Confident88.6Confident63 Ų63102.5 Ų102.541%0.40956%0.56SS.*SBendtrans-74.7-5.5171.832.5-35.4000112.9T308 Y315T308-P321 WeakPolarHBondContact CG2-O 3.19Å; Y315-P321 VanDerWaalsContact OH-CA 3.26Å; Y315-P321 WeakPolarHBondContact OH-CA 3.24Å; Y315-P321 VanDerWaalsContact OH-CB 3.3Å; Y315-P321 WeakPolarHBondContact OH-CB 3.18Å; Y315-P321 PolarHBondContact OH-O 3.09Å; Y315-P321 VanDerWaalsContact OH-O 3.12Å
322F90.6Very high88.7Confident153 Ų15394.8 Ų94.867%0.67153%0.531SS*.SBendtrans-113.7141-179.1-53.1-64.9000112.8T308 S320T308-F322 WeakPolarHBondContact OG1-CA 3.46Å; S320-F322 PolarHBondContact O-N 3.01Å; S320-F322 PolarHBondContact OG-N 3.23Å; S320-F322 PolarHBondContact OG-O 2.9Å
323C89.2Confident88.9Confident50 Ų5096.8 Ų96.834%0.33854%0.542SS..PPolyproline II helixtrans-59.7135.3171.363.10000111.3T308T308-C323 PolarHBondContact N-SG 3.22Å; T308-C323 PolarHBondContact OG1-N 3.44Å
324Q91.1Very high89.1Confident135 Ų13594 Ų9463%0.63152%0.52SS*.PPolyproline II helixtrans-72.1133.1-177.5-68.8-176.1-1.400112.6K303K303-Q324 VanDerWaalsContact CE-O 3.23Å; K303-Q324 WeakPolarHBondContact CE-O 3.36Å
325N93.3Very high89.3Confident136 Ų13693.1 Ų93.173%0.72751%0.511SS*.PPolyproline II helixtrans-62.8152.5172.1-72-57000112.9K303K303-N325 WeakPolarHBondContact CE-O 3.39Å
326D94.4Very high89.6Confident29 Ų2990.8 Ų90.816%0.15550%0.504CS..  trans-95.3112.3169.3178.816.5000110.3S301 K303 A304 Y328 S329 A332S301-D326 VanDerWaalsContact CB-OD2 3.31Å; S301-D326 WeakPolarHBondContact CB-OD2 3.44Å; S301-D326 PolarHBondContact OG-OD2 3.11Å; K303-D326 HydrophobicContact CB-CB 4.21Å; K303-D326 HydrophobicContact CD-CB 4.39Å; K303-D326 HydrophobicContact CG-CB 4.25Å; A304-D326 HydrophobicContact CB-CB 3.86Å; D326-Y328 PolarHBondContact OD1-N 3.47Å; D326-S329 WeakPolarHBondContact OD1-CB 3.37Å; D326-S329 PolarHBondContact OD1-N 3.22Å; D326-S329 PolarHBondContact OD1-OG 2.92Å; D326-S329 WeakPolarHBondContact OD2-CB 3.44Å; D326-S329 PolarHBondContact OD2-OG 3.28Å; D326-A332 WeakPolarHBondContact O-CB 3.4Å
327I95.1Very high90.1Very high106 Ų10694.3 Ų94.354%0.54450%0.503SS..  trans-117.6-5.6177.661.6174.9000113
328Y94.6Very high90.8Very high193 Ų19394.2 Ų94.276%0.75749%0.493SS*.SBendtrans-109.1-22.1-171-62.8-70000113.4D326D326-Y328 PolarHBondContact OD1-N 3.47Å
329S95.3Very high91.1Very high30 Ų3094.3 Ų94.321%0.2149%0.494CS..SBendtrans-69.9154.9-178.581.80000112.3D326 A331 A332 N333D326-S329 WeakPolarHBondContact OD1-CB 3.37Å; D326-S329 PolarHBondContact OD1-N 3.22Å; D326-S329 PolarHBondContact OD1-OG 2.92Å; D326-S329 WeakPolarHBondContact OD2-CB 3.44Å; D326-S329 PolarHBondContact OD2-OG 3.28Å; S329-A331 PolarHBondContact O-N 3.02Å; S329-A331 VanDerWaalsContact O-N 3.1Å; S329-A331 PolarHBondContact OG-N 3.29Å; S329-A332 WeakPolarHBondContact O-CB 3.46Å; S329-A332 PolarHBondContact O-N 2.84Å; S329-A332 PolarHBondContact OG-N 3.06Å; S329-N333 PolarHBondContact O-N 2.74Å; S329-N333 VanDerWaalsContact O-N 3.11Å
330R92.1Very high90.9Very high202 Ų20295.5 Ų95.576%0.76248%0.479SS*.Hα-helixtrans-56.1-28170.9-173.8176.9-71.8171.9-2.6112.1L334R330-L334 HydrophobicContact CG-CD1 4.04Å; R330-L334 HydrophobicContact CG-CG 4.44Å; R330-L334 WeakPolarHBondContact O-CB 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.48Å; R330-L334 PolarHBondContact O-N 3.24Å
331A92.2Very high90.7Very high12 Ų1295.6 Ų95.610%0.09948%0.48CS..Hα-helixtrans-70.1-37.8175.800000112.5S329 L334 Q335 I336S329-A331 PolarHBondContact O-N 3.02Å; S329-A331 VanDerWaalsContact O-N 3.1Å; S329-A331 PolarHBondContact OG-N 3.29Å; A331-L334 PolarHBondContact O-N 2.89Å; A331-Q335 PolarHBondContact O-N 3.24Å; A331-I336 HydrophobicContact CB-CB 4.41Å; A331-I336 HydrophobicContact CB-CD1 3.91Å; A331-I336 HydrophobicContact CB-CG1 4.5Å; A331-I336 PolarHBondContact O-N 3.47Å
332A93.9Very high90.3Very high29 Ų2994.6 Ų94.624%0.2448%0.481CS..Hα-helixtrans-63.9-47.1172.800000111.2D326 S329 L334 Q335D326-A332 WeakPolarHBondContact O-CB 3.4Å; S329-A332 WeakPolarHBondContact O-CB 3.46Å; S329-A332 PolarHBondContact O-N 2.84Å; S329-A332 PolarHBondContact OG-N 3.06Å; A332-L334 VanDerWaalsContact C-N 3.31Å; A332-L334 PolarHBondContact O-N 2.65Å; A332-Q335 WeakPolarHBondContact O-CA 3.42Å; A332-Q335 PolarHBondContact O-N 3.29Å
333N93.5Very high90.1Very high120 Ų12089.6 Ų89.664%0.64247%0.467SS*.Hα-helixtrans-62.4-36.1177.9-66.66.9000112.6S329 Q335S329-N333 PolarHBondContact O-N 2.74Å; S329-N333 VanDerWaalsContact O-N 3.11Å; N333-Q335 PolarHBondContact O-N 3.28Å
334L92.5Very high90.1Very high68 Ų6889.3 Ų89.336%0.35647%0.473SS..THydrogen-bonded Turntrans-75.5-3.4173.4-70.4171.2000113.6R330 A331 A332 I336R330-L334 HydrophobicContact CG-CD1 4.04Å; R330-L334 HydrophobicContact CG-CG 4.44Å; R330-L334 WeakPolarHBondContact O-CB 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.48Å; R330-L334 PolarHBondContact O-N 3.24Å; A331-L334 PolarHBondContact O-N 2.89Å; A332-L334 VanDerWaalsContact C-N 3.31Å; A332-L334 PolarHBondContact O-N 2.65Å; L334-I336 VanDerWaalsContact C-N 3.26Å; L334-I336 HydrophobicContact CB-CD1 4.27Å; L334-I336 HydrophobicContact CB-CG1 3.99Å; L334-I336 HydrophobicContact CD1-CD1 4.39Å; L334-I336 PolarHBondContact O-N 3.09Å
335Q91.9Very high89.8Confident125 Ų12588.5 Ų88.558%0.58446%0.464SS*.THydrogen-bonded Turntrans57.835.1-177.6-52.9175-18.900113.3A331 A332 N333A331-Q335 PolarHBondContact O-N 3.24Å; A332-Q335 WeakPolarHBondContact O-CA 3.42Å; A332-Q335 PolarHBondContact O-N 3.29Å; N333-Q335 PolarHBondContact O-N 3.28Å
336I92.1Very high89.5Confident24 Ų2489.5 Ų89.512%0.12346%0.458CS..  trans-62.9137.8175.2-60.4177.1000108.3Q298 L300 A331 L334Q298-I336 HydrophobicContact CB-CD1 3.87Å; Q298-I336 HydrophobicContact CB-CG1 4.27Å; Q298-I336 HydrophobicContact CB-CG2 4.39Å; Q298-I336 HydrophobicContact CG-CD1 4.49Å; Q298-I336 WeakPolarHBondContact O-CG2 3.48Å; L300-I336 HydrophobicContact CD2-CB 4.15Å; L300-I336 HydrophobicContact CD2-CG2 3.78Å; L300-I336 WeakPolarHBondContact CD2-O 3.46Å; L300-I336 HydrophobicContact CG-CG2 4.24Å; A331-I336 HydrophobicContact CB-CB 4.41Å; A331-I336 HydrophobicContact CB-CD1 3.91Å; A331-I336 HydrophobicContact CB-CG1 4.5Å; A331-I336 PolarHBondContact O-N 3.47Å; L334-I336 VanDerWaalsContact C-N 3.26Å; L334-I336 HydrophobicContact CB-CD1 4.27Å; L334-I336 HydrophobicContact CB-CG1 3.99Å; L334-I336 HydrophobicContact CD1-CD1 4.39Å; L334-I336 PolarHBondContact O-N 3.09Å
337R89.9Confident89.2Confident200 Ų20096.6 Ų96.676%0.75548%0.482SS*.  trans-125.5156.2179.3-62.6-63-179.1159.7-2.5109.7
338D88.3Confident88.9Confident66 Ų6693.5 Ų93.535%0.35347%0.472SS..  trans-61.2142171.3-174.22.9000110.4L300 Q340 S341L300-D338 HydrophobicContact CD1-CB 4.04Å; D338-Q340 PolarHBondContact O-N 3.13Å; D338-Q340 PolarHBondContact OD1-N 3.42Å; D338-S341 VanDerWaalsContact O-CB 3.3Å; D338-S341 WeakPolarHBondContact O-CB 3.41Å; D338-S341 PolarHBondContact O-N 3.46Å
339G81.3Confident88.7Confident57 Ų5787.2 Ų87.259%0.58845%0.452SS*.THydrogen-bonded Turntrans-60.6-31.3177.600000112.7S341 R346G339-S341 VanDerWaalsContact C-N 3.28Å; G339-S341 PolarHBondContact O-N 2.98Å; G339-R346 PolarHBondContact O-NH2 3.07Å
340Q79.8Confident88.5Confident147 Ų14788 Ų8869%0.68746%0.456SS*.THydrogen-bonded Turntrans-64.8-32.2174.4-61.3-172.9-9.700112.2D338D338-Q340 PolarHBondContact O-N 3.13Å; D338-Q340 PolarHBondContact OD1-N 3.42Å
341S83.3Confident88.4Confident63 Ų6383.3 Ų83.344%0.44145%0.446SS..THydrogen-bonded Turntrans-66.5142.1-178.9-690000112.4D338 G339 R346D338-S341 VanDerWaalsContact O-CB 3.3Å; D338-S341 WeakPolarHBondContact O-CB 3.41Å; D338-S341 PolarHBondContact O-N 3.46Å; G339-S341 VanDerWaalsContact C-N 3.28Å; G339-S341 PolarHBondContact O-N 2.98Å; S341-R346 PolarHBondContact O-NH1 2.93Å; S341-R346 PolarHBondContact O-NH2 3.48Å
342G83.1Confident88.4Confident42 Ų4285 Ų8543%0.43346%0.461SS..THydrogen-bonded Turntrans79.613.4170.700000116.1G344 R345 R346G342-G344 PolarHBondContact O-N 2.7Å; G342-R345 WeakPolarHBondContact O-CB 3.21Å; G342-R345 PolarHBondContact O-N 3.43Å; G342-R346 PolarHBondContact O-N 3Å
343A86.4Confident88Confident47 Ų4788.8 Ų88.839%0.38849%0.492SS..Hα-helixtrans-52-48.4178.500000113.3R345 R346 R347A343-R345 VanDerWaalsContact C-N 3.28Å; A343-R345 PolarHBondContact O-N 3.44Å; A343-R346 PolarHBondContact O-N 3.32Å; A343-R346 VanDerWaalsContact O-N 3.11Å; A343-R347 PolarHBondContact O-N 3.41Å; A343-R347 VanDerWaalsContact O-N 3.15Å
344G87.2Confident87.5Confident44 Ų4488.6 Ų88.645%0.45448%0.482SS..Hα-helixtrans-61.5-32.1176.400000113.9G342 R347G342-G344 PolarHBondContact O-N 2.7Å; G344-R347 PolarHBondContact O-N 3.29Å
345R85.4Confident87.3Confident119 Ų11995.2 Ų95.245%0.44950%0.502SS..Hα-helixtrans-72.2-33.8174.4168.6169.2154-169.5-16112.4G342 A343 R347 A348 K360 K361G342-R345 WeakPolarHBondContact O-CB 3.21Å; G342-R345 PolarHBondContact O-N 3.43Å; A343-R345 VanDerWaalsContact C-N 3.28Å; A343-R345 PolarHBondContact O-N 3.44Å; R345-R347 VanDerWaalsContact C-N 3.29Å; R345-A348 WeakPolarHBondContact O-CB 3.46Å; R345-A348 PolarHBondContact O-N 2.96Å; R345-K360 HydrophobicContact CG-CD 4.27Å; R345-K361 PolarHBondContact NE-O 3.41Å; R345-K361 PolarHBondContact NH2-O 2.66Å
346R87.4Confident87Confident157 Ų15798.4 Ų98.459%0.59251%0.514SS*.Hα-helixtrans-69.8-24.4173.4-68.5-172.5-69.9-963.2113G339 S341 G342 A343 A348G339-R346 PolarHBondContact O-NH2 3.07Å; S341-R346 PolarHBondContact O-NH1 2.93Å; S341-R346 PolarHBondContact O-NH2 3.48Å; G342-R346 PolarHBondContact O-N 3Å; A343-R346 PolarHBondContact O-N 3.32Å; A343-R346 VanDerWaalsContact O-N 3.11Å; R346-A348 VanDerWaalsContact C-N 3.33Å
347R88Confident86.8Confident178 Ų178105.9 Ų105.967%0.67255%0.546SS*.THydrogen-bonded Turntrans-77.1-12.7172.5-67.7178174.5-130.71.7113.9E56 A343 G344 R345E56-R347 IonicContact OE1-CZ 2.59Å; E56-R347 IonicContact OE1-NH1 3.22Å; E56-R347 PolarHBondContact OE1-NH1 3.19Å; E56-R347 IonicContact OE1-NH2 2.78Å; E56-R347 PolarHBondContact OE1-NH2 3.37Å; E56-R347 IonicContact OE2-NH1 3.38Å; E56-R347 PolarHBondContact OE2-NH1 2.96Å; A343-R347 PolarHBondContact O-N 3.41Å; A343-R347 VanDerWaalsContact O-N 3.15Å; G344-R347 PolarHBondContact O-N 3.29Å; R345-R347 VanDerWaalsContact C-N 3.29Å
348A89.3Confident86.5Confident40 Ų40101 Ų10133%0.33154%0.535SS..SBendtrans-77.6137.8-178.200000111.8R345 R346 P350R345-A348 WeakPolarHBondContact O-CB 3.46Å; R345-A348 PolarHBondContact O-N 2.96Å; R346-A348 VanDerWaalsContact C-N 3.33Å; A348-P350 WeakPolarHBondContact O-CD 3.43Å
349N90.9Very high85.8Confident61 Ų61107.6 Ų107.633%0.32656%0.56SS.*  trans-54.1121.4176.9178.4-4.4000111.1G270 N351 A352G270-N349 WeakPolarHBondContact CA-OD1 3.48Å; N349-N351 PolarHBondContact O-N 3.22Å; N349-N351 WeakPolarHBondContact OD1-CB 3.21Å; N349-N351 PolarHBondContact OD1-N 2.94Å; N349-A352 HydrophobicContact CB-CB 4.25Å; N349-A352 WeakPolarHBondContact O-CB 3.27Å; N349-A352 PolarHBondContact O-N 3.35Å
350P89.9Confident85Confident48 Ų48108.8 Ų108.831%0.31255%0.549SS..THydrogen-bonded Turntrans-55.1-37178.4-28.637000113.6H273 A348 A352 R354H273-P350 HydrophobicContact CB-CB 4.08Å; A348-P350 WeakPolarHBondContact O-CD 3.43Å; P350-A352 VanDerWaalsContact C-N 3.29Å; P350-A352 PolarHBondContact O-N 3.1Å; P350-R354 PolarHBondContact O-NH2 3.36Å; P350-R354 VanDerWaalsContact O-NH2 3.1Å
351N91.1Very high84Confident102 Ų102111.7 Ų111.755%0.54556%0.559SS.*THydrogen-bonded Turntrans-79.8-4.6-174.6-55.9-20.5000113.6R272 H273 N349R272-N351 PolarHBondContact O-ND2 3.39Å; H273-N351 WeakPolarHBondContact CB-OD1 3.19Å; N349-N351 PolarHBondContact O-N 3.22Å; N349-N351 WeakPolarHBondContact OD1-CB 3.21Å; N349-N351 PolarHBondContact OD1-N 2.94Å
352A90.4Very high84.1Confident49 Ų49114.1 Ų114.141%0.40557%0.565SS.*SBendtrans-76.7141.5179.700000112.1N349 P350 R354N349-A352 HydrophobicContact CB-CB 4.25Å; N349-A352 WeakPolarHBondContact O-CB 3.27Å; N349-A352 PolarHBondContact O-N 3.35Å; P350-A352 VanDerWaalsContact C-N 3.29Å; P350-A352 PolarHBondContact O-N 3.1Å; A352-R354 WeakPolarHBondContact O-CG 3.21Å
353A87.2Confident84.1Confident108 Ų108117.9 Ų117.989%0.89357%0.572SS**  trans-58.7153.7175.500000112.3
354R82.8Confident84Confident116 Ų116121.8 Ų121.844%0.43858%0.582SS.*  trans-135.8151.1-170.7-58.1177.8-176.7-169-1110.4P350 A352 K356 K360P350-R354 PolarHBondContact O-NH2 3.36Å; P350-R354 VanDerWaalsContact O-NH2 3.1Å; A352-R354 WeakPolarHBondContact O-CG 3.21Å; R354-K356 PolarHBondContact O-N 2.99Å; R354-K360 VanDerWaalsContact NH1-CB 3.32Å; R354-K360 PolarHBondContact NH1-O 3.19Å
355R88.1Confident83.8Confident206 Ų206126.4 Ų126.478%0.77759%0.59SS**  trans-58.2132.4174.6-60.5179.174-175.63.5109.7F357 L358R355-F357 PolarHBondContact O-N 2.94Å; R355-L358 HydrophobicContact CB-CD1 3.99Å; R355-L358 HydrophobicContact CB-CG 4.16Å; R355-L358 HydrophobicContact CG-CD1 4.35Å; R355-L358 PolarHBondContact O-N 3.47Å
356K85Confident83.7Confident192 Ų192126.9 Ų126.984%0.83560%0.599SS**THydrogen-bonded Turntrans-44.5-38.4-168.6-168.1175.6-178.2177.50115.5R354R354-K356 PolarHBondContact O-N 2.99Å
357F88.1Confident83.5Confident181 Ų181124.9 Ų124.979%0.79460%0.599SS**THydrogen-bonded Turntrans-98.6-3.2-174.7-57.1-70.8000114.9R355 K359R355-F357 PolarHBondContact O-N 2.94Å; F357-K359 PolarHBondContact O-N 3.24Å
358L83Confident83.1Confident98 Ų98121.1 Ų121.151%0.51359%0.594SS.*  trans-90.191.8-176.8-68.4-176.4000112.6R355 K360R355-L358 HydrophobicContact CB-CD1 3.99Å; R355-L358 HydrophobicContact CB-CG 4.16Å; R355-L358 HydrophobicContact CG-CD1 4.35Å; R355-L358 PolarHBondContact O-N 3.47Å; L358-K360 PolarHBondContact O-N 2.97Å
359K74.6Confident82.7Confident205 Ų205127.3 Ų127.389%0.89161%0.614SS**  trans-67.493.6170.1-67.1-177.2-178.4177.10111.1F357F357-K359 PolarHBondContact O-N 3.24Å
360K63.3Low82Confident81 Ų81132.8 Ų132.835%0.35264%0.638SS.*  trans-90102.6171.5-73.6-173-178.6177.60110.8R345 R354 L358R345-K360 HydrophobicContact CG-CD 4.27Å; R354-K360 VanDerWaalsContact NH1-CB 3.32Å; R354-K360 PolarHBondContact NH1-O 3.19Å; L358-K360 PolarHBondContact O-N 2.97Å
361K60.3Low81.3Confident208 Ų208140.5 Ų140.590%0.90467%0.668SS**  trans-54.60151.7-70.7178.1177.5166.20110.7R345R345-K361 PolarHBondContact NE-O 3.41Å; R345-K361 PolarHBondContact NH2-O 2.66Å

Retrieved 361 of 361 residues in 78.2 ms (Link to these results)