A0A087YGT5_POEFO Loading...

CWC25 spliceosome associated protein homolog

AlphaFold DB , UniProt , Accession A0A087YGT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 396 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M47.4Very low76.4Confident252 Ų252108.2 Ų108.2100%1.24166%0.664SS**  0127.60-64.4-179176.300108.2
2G55.3Low77.8Confident84 Ų84113.1 Ų113.187%0.86666%0.661SS**  trans-141.352.7-170.200000113.6G4G2-G4 PolarHBondContact O-N 2.65Å
3G60Low78.9Confident87 Ų87106.2 Ų106.290%0.89762%0.619SS**  trans-87.972.3-178.500000113.3
4G75.6Confident79.8Confident63 Ų63105 Ų10565%0.64962%0.616SS**  trans-76133.116800000111G2 L6G2-G4 PolarHBondContact O-N 2.65Å; G4-L6 PolarHBondContact O-N 3.48Å; G4-L6 VanDerWaalsContact O-N 3.14Å
5D81.4Confident80.5Confident78 Ų78106.5 Ų106.542%0.41762%0.615SS.*  trans-56.2118.6-177.6172.719.2000111.7N7 L8D5-N7 PolarHBondContact O-N 3.22Å; D5-N7 WeakPolarHBondContact OD1-CB 3.48Å; D5-N7 PolarHBondContact OD1-N 3.43Å; D5-N7 PolarHBondContact OD1-ND2 3.07Å; D5-L8 HydrophobicContact CB-CD1 3.63Å; D5-L8 PolarHBondContact O-N 2.98Å; D5-L8 WeakPolarHBondContact OD2-CD1 3.46Å
6L84.7Confident81.1Confident106 Ų106101.3 Ų101.356%0.55559%0.585SS**G310 helixtrans-62.4-22.9-177-175.260.7000112.4G4 K9G4-L6 PolarHBondContact O-N 3.48Å; G4-L6 VanDerWaalsContact O-N 3.14Å; L6-K9 HydrophobicContact CD1-CD 4.3Å; L6-K9 WeakPolarHBondContact O-CB 3.4Å; L6-K9 PolarHBondContact O-N 3.22Å
7N85Confident81.7Confident66 Ų66103.1 Ų103.135%0.35359%0.589SS.*G310 helixtrans-68.2-32.1179.4-61.6-58000112.5D5 K9 K10 H13D5-N7 PolarHBondContact O-N 3.22Å; D5-N7 WeakPolarHBondContact OD1-CB 3.48Å; D5-N7 PolarHBondContact OD1-N 3.43Å; D5-N7 PolarHBondContact OD1-ND2 3.07Å; N7-K9 PolarHBondContact O-N 3.33Å; N7-K9 VanDerWaalsContact O-N 3.13Å; N7-K10 WeakPolarHBondContact O-CB 3.33Å; N7-K10 PolarHBondContact O-N 2.88Å; N7-H13 WeakPolarHBondContact O-CB 3.39Å
8L84.4Confident82.3Confident92 Ų92106.1 Ų106.148%0.48259%0.594SS.*G310 helixtrans-65.8-14.9174.4-73.294.3000113.4D5 K10 T16D5-L8 HydrophobicContact CB-CD1 3.63Å; D5-L8 PolarHBondContact O-N 2.98Å; D5-L8 WeakPolarHBondContact OD2-CD1 3.46Å; L8-K10 VanDerWaalsContact C-N 3.35Å; L8-T16 VanDerWaalsContact O-CG2 3.31Å; L8-T16 WeakPolarHBondContact O-CG2 3.39Å
9K85.6Confident82.9Confident173 Ų173101.2 Ų101.275%0.75257%0.567SS**G310 helixtrans-85.7-5.4171.6-58.8-175.8-177.51770113L6 N7L6-K9 HydrophobicContact CD1-CD 4.3Å; L6-K9 WeakPolarHBondContact O-CB 3.4Å; L6-K9 PolarHBondContact O-N 3.22Å; N7-K9 PolarHBondContact O-N 3.33Å; N7-K9 VanDerWaalsContact O-N 3.13Å
10K92.6Very high83.4Confident87 Ų87100.2 Ų100.238%0.37856%0.559SS.*SBendtrans-93.3130.5-178.1-53.9-61.2-178.7176.80110.8N7 L8 W12 H13N7-K10 WeakPolarHBondContact O-CB 3.33Å; N7-K10 PolarHBondContact O-N 2.88Å; L8-K10 VanDerWaalsContact C-N 3.35Å; K10-W12 HydrophobicContact CB-CD2 4.21Å; K10-W12 HydrophobicContact CB-CG 4.39Å; K10-W12 HydrophobicContact CB-CZ2 4.02Å; K10-W12 HydrophobicContact CG-CZ2 4.01Å; K10-W12 PolarHBondContact O-N 3.26Å; K10-W12 VanDerWaalsContact O-N 3.14Å; K10-H13 PolarHBondContact O-N 3.46Å; K10-H13 VanDerWaalsContact O-N 3.1Å
11S89.1Confident84Confident102 Ų10299.6 Ų99.671%0.71355%0.552SS**THydrogen-bonded Turntrans-62.8-20-177.651.70000114.7N19S11-N19 PolarHBondContact O-ND2 3.46Å; S11-N19 PolarHBondContact O-OD1 3.08Å
12W92.3Very high86.2Confident167 Ų16794.6 Ų94.663%0.63352%0.519SS*.THydrogen-bonded Turntrans-88.5-14.8177.257.7-105.7000113.8K10 N19K10-W12 HydrophobicContact CB-CD2 4.21Å; K10-W12 HydrophobicContact CB-CG 4.39Å; K10-W12 HydrophobicContact CB-CZ2 4.02Å; K10-W12 HydrophobicContact CG-CZ2 4.01Å; K10-W12 PolarHBondContact O-N 3.26Å; K10-W12 VanDerWaalsContact O-N 3.14Å; W12-N19 VanDerWaalsContact C-ND2 3.33Å; W12-N19 PolarHBondContact O-ND2 3.24Å
13H92.5Very high88.2Confident24 Ų2494.3 Ų94.311%0.11150%0.501CS..  trans-69.7122.5-173.2-175.661.1000110.9N7 K10 Q15 T16 N19N7-H13 WeakPolarHBondContact O-CB 3.39Å; K10-H13 PolarHBondContact O-N 3.46Å; K10-H13 VanDerWaalsContact O-N 3.1Å; H13-Q15 PolarHBondContact NE2-OE1 3.41Å; H13-Q15 PolarHBondContact O-N 3.39Å; H13-T16 HydrophobicContact CB-CG2 4.14Å; H13-T16 WeakPolarHBondContact O-CG2 3.19Å; H13-T16 PolarHBondContact O-N 3.04Å; H13-T16 VanDerWaalsContact O-N 3.1Å; H13-T16 PolarHBondContact O-OG1 3.05Å; H13-N19 PolarHBondContact O-ND2 2.95Å
14P91.1Very high89.9Confident89 Ų8996.8 Ų96.858%0.57848%0.483SS*.THydrogen-bonded Turntrans-65.5-24-167.923.7-35000114T16 I20P14-T16 VanDerWaalsContact C-N 3.27Å; P14-T16 PolarHBondContact O-N 2.93Å; P14-I20 WeakPolarHBondContact O-CG1 3.39Å
15Q90.8Very high90.8Very high128 Ų12899 Ų9960%0.59848%0.475SS*.THydrogen-bonded Turntrans-81.61178.1-61.9173.9-38.700113.9H13 I20H13-Q15 PolarHBondContact NE2-OE1 3.41Å; H13-Q15 PolarHBondContact O-N 3.39Å; Q15-I20 WeakPolarHBondContact O-CD1 3.48Å
16T90.5Very high91.5Very high22 Ų2298 Ų9814%0.13548%0.477CS..SBendtrans-71.7137.3171.659.20000110.1L8 H13 P14 K18 N19 I20L8-T16 VanDerWaalsContact O-CG2 3.31Å; L8-T16 WeakPolarHBondContact O-CG2 3.39Å; H13-T16 HydrophobicContact CB-CG2 4.14Å; H13-T16 WeakPolarHBondContact O-CG2 3.19Å; H13-T16 PolarHBondContact O-N 3.04Å; H13-T16 VanDerWaalsContact O-N 3.1Å; H13-T16 PolarHBondContact O-OG1 3.05Å; P14-T16 VanDerWaalsContact C-N 3.27Å; P14-T16 PolarHBondContact O-N 2.93Å; T16-K18 PolarHBondContact O-N 3.15Å; T16-K18 VanDerWaalsContact O-N 3.11Å; T16-N19 WeakPolarHBondContact O-CA 3.36Å; T16-N19 WeakPolarHBondContact O-CB 3.48Å; T16-N19 PolarHBondContact O-N 3.41Å; T16-N19 WeakPolarHBondContact OG1-CB 3.46Å; T16-N19 PolarHBondContact OG1-ND2 3.31Å; T16-N19 VanDerWaalsContact OG1-ND2 3.16Å; T16-I20 PolarHBondContact O-N 3.34Å
17M91.4Very high91.9Very high133 Ų13398.1 Ų98.166%0.65548%0.475SS*.Hα-helixtrans-49.7-42.9-177.4-65.6-59.9-67.300112.8N19 I20 E21M17-N19 VanDerWaalsContact C-N 3.26Å; M17-N19 PolarHBondContact O-N 3.22Å; M17-I20 PolarHBondContact O-N 3.16Å; M17-I20 HydrophobicContact SD-CD1 4.45Å; M17-E21 WeakPolarHBondContact O-CB 3.47Å; M17-E21 WeakPolarHBondContact O-CG 3.45Å; M17-E21 PolarHBondContact O-N 2.97Å
18K92.5Very high92.4Very high156 Ų15699 Ų9968%0.67848%0.477SS*.Hα-helixtrans-62.6-27.5177.7-63.5-176.6178.2-178.60114.1T16 R22T16-K18 PolarHBondContact O-N 3.15Å; T16-K18 VanDerWaalsContact O-N 3.11Å; K18-R22 PolarHBondContact O-N 3.4Å; K18-R22 PolarHBondContact O-NE 2.96Å; K18-R22 PolarHBondContact O-NH2 3.3Å
19N92.4Very high92.8Very high14 Ų14101.6 Ų101.68%0.07548%0.484CS..Hα-helixtrans-85.2-42.2176.2-70.7-5.6000110.6S11 W12 H13 T16 M17 E21 R22 V23S11-N19 PolarHBondContact O-ND2 3.46Å; S11-N19 PolarHBondContact O-OD1 3.08Å; W12-N19 VanDerWaalsContact C-ND2 3.33Å; W12-N19 PolarHBondContact O-ND2 3.24Å; H13-N19 PolarHBondContact O-ND2 2.95Å; T16-N19 WeakPolarHBondContact O-CA 3.36Å; T16-N19 WeakPolarHBondContact O-CB 3.48Å; T16-N19 PolarHBondContact O-N 3.41Å; T16-N19 WeakPolarHBondContact OG1-CB 3.46Å; T16-N19 PolarHBondContact OG1-ND2 3.31Å; T16-N19 VanDerWaalsContact OG1-ND2 3.16Å; M17-N19 VanDerWaalsContact C-N 3.26Å; M17-N19 PolarHBondContact O-N 3.22Å; N19-E21 VanDerWaalsContact C-N 3.34Å; N19-E21 PolarHBondContact O-N 3.02Å; N19-R22 PolarHBondContact O-N 2.97Å; N19-R22 VanDerWaalsContact O-N 3.1Å; N19-R22 PolarHBondContact OD1-NH1 3.44Å; N19-R22 PolarHBondContact OD1-NH2 3.41Å; N19-V23 WeakPolarHBondContact O-CG2 3.29Å; N19-V23 PolarHBondContact O-N 3.19Å
20I93.9Very high93.2Very high81 Ų81100.6 Ų100.642%0.41548%0.477SS..Hα-helixtrans-56.4-48.1173.1-60.9170.5000110.5P14 Q15 T16 M17 R22 V23 W24P14-I20 WeakPolarHBondContact O-CG1 3.39Å; Q15-I20 WeakPolarHBondContact O-CD1 3.48Å; T16-I20 PolarHBondContact O-N 3.34Å; M17-I20 PolarHBondContact O-N 3.16Å; M17-I20 HydrophobicContact SD-CD1 4.45Å; I20-R22 VanDerWaalsContact C-N 3.31Å; I20-R22 PolarHBondContact O-N 3Å; I20-V23 PolarHBondContact O-N 3.05Å; I20-W24 WeakPolarHBondContact O-CB 3.38Å; I20-W24 PolarHBondContact O-N 3.14Å
21E94.8Very high93.1Very high87 Ų87100.5 Ų100.541%0.40748%0.478SS..Hα-helixtrans-60.5-36.2175.3-76174.9-134.200113.5M17 N19 K25M17-E21 WeakPolarHBondContact O-CB 3.47Å; M17-E21 WeakPolarHBondContact O-CG 3.45Å; M17-E21 PolarHBondContact O-N 2.97Å; N19-E21 VanDerWaalsContact C-N 3.34Å; N19-E21 PolarHBondContact O-N 3.02Å; E21-K25 WeakPolarHBondContact O-CB 3.46Å; E21-K25 WeakPolarHBondContact O-CD 3.47Å; E21-K25 VanDerWaalsContact O-CG 3.24Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 IonicContact OE2-NZ 3.58Å
22R95.5Very high93.3Very high148 Ų14898.5 Ų98.556%0.55847%0.468SS*.Hα-helixtrans-71-40.1178.2-92.7-173.5-94.7110.15.4111.7K18 N19 I20 A26K18-R22 PolarHBondContact O-N 3.4Å; K18-R22 PolarHBondContact O-NE 2.96Å; K18-R22 PolarHBondContact O-NH2 3.3Å; N19-R22 PolarHBondContact O-N 2.97Å; N19-R22 VanDerWaalsContact O-N 3.1Å; N19-R22 PolarHBondContact OD1-NH1 3.44Å; N19-R22 PolarHBondContact OD1-NH2 3.41Å; I20-R22 VanDerWaalsContact C-N 3.31Å; I20-R22 PolarHBondContact O-N 3Å; R22-A26 PolarHBondContact O-N 2.94Å; R22-A26 VanDerWaalsContact O-N 3.11Å
23V96Very high93.3Very high78 Ų7896.3 Ų96.347%0.47346%0.464SS..Hα-helixtrans-63.3-50.6172.91730000109.9N19 I20 K25 A26 E27N19-V23 WeakPolarHBondContact O-CG2 3.29Å; N19-V23 PolarHBondContact O-N 3.19Å; I20-V23 PolarHBondContact O-N 3.05Å; V23-K25 VanDerWaalsContact C-N 3.35Å; V23-K25 PolarHBondContact O-N 3.44Å; V23-A26 CarbonylContact O-C 3.48Å; V23-A26 WeakPolarHBondContact O-CA 3.45Å; V23-A26 WeakPolarHBondContact O-CB 3.4Å; V23-A26 PolarHBondContact O-N 3.19Å; V23-E27 HydrophobicContact CG1-CG 4.2Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.47Å; V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 3.24Å
24W94.9Very high93.2Very high139 Ų139101.8 Ų101.853%0.52748%0.484SS..Hα-helixtrans-57.8-42.8178.3179.972.2000113I20 A26 E27 Q28I20-W24 WeakPolarHBondContact O-CB 3.38Å; I20-W24 PolarHBondContact O-N 3.14Å; W24-A26 VanDerWaalsContact C-N 3.28Å; W24-A26 PolarHBondContact O-N 2.89Å; W24-E27 PolarHBondContact O-N 3.43Å; W24-Q28 HydrophobicContact CD2-CG 4.23Å; W24-Q28 HydrophobicContact CZ2-CG 3.91Å; W24-Q28 WeakPolarHBondContact O-CB 3.49Å; W24-Q28 WeakPolarHBondContact O-CG 3.49Å; W24-Q28 PolarHBondContact O-N 3.29Å
25K96.1Very high93.4Very high110 Ų110104.3 Ų104.348%0.47849%0.486SS..Hα-helixtrans-65.3-27.5174.3-75.7166.5-177.4160.70113.2E21 V23 K29E21-K25 WeakPolarHBondContact O-CB 3.46Å; E21-K25 WeakPolarHBondContact O-CD 3.47Å; E21-K25 VanDerWaalsContact O-CG 3.24Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 IonicContact OE2-NZ 3.58Å; V23-K25 VanDerWaalsContact C-N 3.35Å; V23-K25 PolarHBondContact O-N 3.44Å; K25-K29 WeakPolarHBondContact O-CG 3.38Å; K25-K29 PolarHBondContact O-N 2.99Å
26A95.1Very high93.5Very high57 Ų57104.5 Ų104.547%0.47149%0.485SS..Hα-helixtrans-78.6-43.1174.200000111.5R22 V23 W24 K29 Y30R22-A26 PolarHBondContact O-N 2.94Å; R22-A26 VanDerWaalsContact O-N 3.11Å; V23-A26 CarbonylContact O-C 3.48Å; V23-A26 WeakPolarHBondContact O-CA 3.45Å; V23-A26 WeakPolarHBondContact O-CB 3.4Å; V23-A26 PolarHBondContact O-N 3.19Å; W24-A26 VanDerWaalsContact C-N 3.28Å; W24-A26 PolarHBondContact O-N 2.89Å; A26-K29 PolarHBondContact O-N 3.29Å; A26-Y30 WeakPolarHBondContact O-CB 3.22Å; A26-Y30 PolarHBondContact O-N 2.83Å
27E93.7Very high93.2Very high107 Ų107107.8 Ų107.850%0.550%0.5SS..Hα-helixtrans-59.3-47.2174.9-70.7172.2163.200111.3V23 W24 K29 Y30 E31V23-E27 HydrophobicContact CG1-CG 4.2Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.47Å; V23-E27 WeakPolarHBondContact O-CG 3.48Å; V23-E27 PolarHBondContact O-N 3.24Å; W24-E27 PolarHBondContact O-N 3.43Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.37Å; E27-Y30 PolarHBondContact O-N 3.05Å; E27-Y30 VanDerWaalsContact O-N 3.17Å; E27-E31 WeakPolarHBondContact O-CG 3.36Å; E27-E31 PolarHBondContact O-N 3.15Å
28Q94.8Very high93.2Very high85 Ų85106.9 Ų106.940%0.39750%0.495SS..Hα-helixtrans-61.4-37.6176.9-75-59.9-67.500113.3W24 E31 A32W24-Q28 HydrophobicContact CD2-CG 4.23Å; W24-Q28 HydrophobicContact CZ2-CG 3.91Å; W24-Q28 WeakPolarHBondContact O-CB 3.49Å; W24-Q28 WeakPolarHBondContact O-CG 3.49Å; W24-Q28 PolarHBondContact O-N 3.29Å; Q28-E31 PolarHBondContact NE2-OE2 3.14Å; Q28-A32 PolarHBondContact O-N 2.88Å; Q28-A32 VanDerWaalsContact O-N 3.11Å
29K93.6Very high93.2Very high146 Ų146105.2 Ų105.264%0.63549%0.489SS*.Hα-helixtrans-66.6-45173.2-75.6177.6178.3-169.60111.6K25 A26 E27 E31 A32 E33K25-K29 WeakPolarHBondContact O-CG 3.38Å; K25-K29 PolarHBondContact O-N 2.99Å; A26-K29 PolarHBondContact O-N 3.29Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.37Å; K29-E31 VanDerWaalsContact C-N 3.34Å; K29-E31 PolarHBondContact O-N 2.97Å; K29-A32 PolarHBondContact O-N 3.01Å; K29-E33 WeakPolarHBondContact O-CG 3.43Å; K29-E33 PolarHBondContact O-N 3.17Å
30Y93.4Very high93Very high152 Ų152108.5 Ų108.560%0.59651%0.507SS*.Hα-helixtrans-62.5-39.4177.8-179.4-102.3000112.2A26 E27 E33 R34A26-Y30 WeakPolarHBondContact O-CB 3.22Å; A26-Y30 PolarHBondContact O-N 2.83Å; E27-Y30 PolarHBondContact O-N 3.05Å; E27-Y30 VanDerWaalsContact O-N 3.17Å; Y30-E33 PolarHBondContact O-N 3.41Å; Y30-R34 VanDerWaalsContact O-CB 3.28Å; Y30-R34 WeakPolarHBondContact O-CB 3.48Å; Y30-R34 PolarHBondContact O-N 3.27Å
31E90.3Very high92.5Very high85 Ų85109.4 Ų109.440%0.39751%0.509SS..Hα-helixtrans-63.9-41.6173.7-74.9-178.4170.900112.4E27 Q28 K29 R34 K35E27-E31 WeakPolarHBondContact O-CG 3.36Å; E27-E31 PolarHBondContact O-N 3.15Å; Q28-E31 PolarHBondContact NE2-OE2 3.14Å; K29-E31 VanDerWaalsContact C-N 3.34Å; K29-E31 PolarHBondContact O-N 2.97Å; E31-R34 PolarHBondContact O-N 3.15Å; E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.28Å
32A93.9Very high92.3Very high61 Ų61111.2 Ų111.250%0.50452%0.516SS..Hα-helixtrans-65.1-44175.600000112Q28 K29 K35 K36Q28-A32 PolarHBondContact O-N 2.88Å; Q28-A32 VanDerWaalsContact O-N 3.11Å; K29-A32 PolarHBondContact O-N 3.01Å; A32-K35 PolarHBondContact O-N 3.33Å; A32-K36 WeakPolarHBondContact O-CB 3.49Å; A32-K36 PolarHBondContact O-N 3.02Å
33E91.9Very high91.8Very high121 Ų121109.3 Ų109.357%0.56551%0.513SS*.Hα-helixtrans-61.5-44.2173.5-73.7173.6-167.100111.5K29 Y30 K35 K36 I37K29-E33 WeakPolarHBondContact O-CG 3.43Å; K29-E33 PolarHBondContact O-N 3.17Å; Y30-E33 PolarHBondContact O-N 3.41Å; E33-K35 PolarHBondContact O-N 2.89Å; E33-K36 PolarHBondContact O-N 2.79Å; E33-I37 WeakPolarHBondContact O-CD1 3.38Å; E33-I37 VanDerWaalsContact O-CG1 3.25Å; E33-I37 WeakPolarHBondContact O-CG1 3.44Å; E33-I37 PolarHBondContact O-N 3.17Å
34R90.9Very high91Very high139 Ų139109.8 Ų109.853%0.52551%0.512SS..Hα-helixtrans-62.2-44.2178.5-160.3-170.491-166.17112Y30 E31 I37 E38Y30-R34 VanDerWaalsContact O-CB 3.28Å; Y30-R34 WeakPolarHBondContact O-CB 3.48Å; Y30-R34 PolarHBondContact O-N 3.27Å; E31-R34 PolarHBondContact O-N 3.15Å; R34-I37 PolarHBondContact O-N 2.89Å; R34-E38 WeakPolarHBondContact O-CB 3.42Å; R34-E38 PolarHBondContact O-N 3.02Å
35K94Very high90.2Very high141 Ų141109.2 Ų109.261%0.61351%0.513SS*.Hα-helixtrans-60.8-45.1175.1-76.3176.1179.3177.30111.6E31 A32 E33 I37 E38 E39E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.28Å; A32-K35 PolarHBondContact O-N 3.33Å; E33-K35 PolarHBondContact O-N 2.89Å; K35-I37 VanDerWaalsContact C-N 3.33Å; K35-I37 PolarHBondContact O-N 3.49Å; K35-E38 WeakPolarHBondContact O-CB 3.43Å; K35-E38 PolarHBondContact O-N 2.84Å; K35-E39 WeakPolarHBondContact O-CB 3.39Å; K35-E39 PolarHBondContact O-N 2.99Å
36K94.5Very high89.5Confident133 Ų133107.6 Ų107.658%0.57851%0.508SS*.Hα-helixtrans-63.3-37.6176.8-173.1170.1-175.1170.80112.7A32 E33 L40A32-K36 WeakPolarHBondContact O-CB 3.49Å; A32-K36 PolarHBondContact O-N 3.02Å; E33-K36 PolarHBondContact O-N 2.79Å; K36-L40 HydrophobicContact CG-CD1 4.35Å; K36-L40 WeakPolarHBondContact O-CB 3.43Å; K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.42Å; K36-L40 PolarHBondContact O-N 2.69Å
37I83.9Confident88.7Confident90 Ų90109.7 Ų109.746%0.46251%0.508SS..Hα-helixtrans-68.4-39.5174.4-68.5162.6000110.9E33 R34 K35 Q41E33-I37 WeakPolarHBondContact O-CD1 3.38Å; E33-I37 VanDerWaalsContact O-CG1 3.25Å; E33-I37 WeakPolarHBondContact O-CG1 3.44Å; E33-I37 PolarHBondContact O-N 3.17Å; R34-I37 PolarHBondContact O-N 2.89Å; K35-I37 VanDerWaalsContact C-N 3.33Å; K35-I37 PolarHBondContact O-N 3.49Å; I37-Q41 HydrophobicContact CG2-CG 4.46Å; I37-Q41 WeakPolarHBondContact O-CB 3.44Å; I37-Q41 VanDerWaalsContact O-CG 3.25Å; I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 2.62Å
38E92Very high88.1Confident114 Ų114110.4 Ų110.453%0.53351%0.506SS..Hα-helixtrans-65.3-40176.9-177.4166.6-160.400112R34 K35 Q41 K42R34-E38 WeakPolarHBondContact O-CB 3.42Å; R34-E38 PolarHBondContact O-N 3.02Å; K35-E38 WeakPolarHBondContact O-CB 3.43Å; K35-E38 PolarHBondContact O-N 2.84Å; E38-Q41 PolarHBondContact O-N 3.1Å; E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 PolarHBondContact O-N 2.95Å
39E91.7Very high87.3Confident121 Ų121108.4 Ų108.457%0.56550%0.504SS*.Hα-helixtrans-61.4-53.5172.2-175.7169.3-134.100111.7K35 Q41 K42 E43K35-E39 WeakPolarHBondContact O-CB 3.39Å; K35-E39 PolarHBondContact O-N 2.99Å; E39-Q41 VanDerWaalsContact C-N 3.27Å; E39-Q41 PolarHBondContact O-N 2.97Å; E39-K42 CarbonylContact O-C 3.57Å; E39-K42 WeakPolarHBondContact O-CA 3.33Å; E39-K42 VanDerWaalsContact O-CB 3.27Å; E39-K42 WeakPolarHBondContact O-CB 3.47Å; E39-K42 PolarHBondContact O-N 3.43Å; E39-E43 PolarHBondContact O-N 2.97Å
40L88.3Confident86.3Confident84 Ų84109.5 Ų109.544%0.4450%0.504SS..Hα-helixtrans-58.5-36.6174.7-71.4166.8000112.7K36 K42 L44K36-L40 HydrophobicContact CG-CD1 4.35Å; K36-L40 WeakPolarHBondContact O-CB 3.43Å; K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.42Å; K36-L40 PolarHBondContact O-N 2.69Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 WeakPolarHBondContact O-CG 3.21Å; L40-L44 PolarHBondContact O-N 2.89Å
41Q82.6Confident85.6Confident100 Ų100107.4 Ų107.447%0.46750%0.5SS..Hα-helixtrans-70-25.8173.6-78.3-177.825.500113.2I37 E38 E39 K45I37-Q41 HydrophobicContact CG2-CG 4.46Å; I37-Q41 WeakPolarHBondContact O-CB 3.44Å; I37-Q41 VanDerWaalsContact O-CG 3.25Å; I37-Q41 WeakPolarHBondContact O-CG 3.33Å; I37-Q41 PolarHBondContact O-N 2.62Å; E38-Q41 PolarHBondContact O-N 3.1Å; E39-Q41 VanDerWaalsContact C-N 3.27Å; E39-Q41 PolarHBondContact O-N 2.97Å; Q41-K45 VanDerWaalsContact O-CD 3.27Å; Q41-K45 WeakPolarHBondContact O-CD 3.47Å; Q41-K45 WeakPolarHBondContact O-CG 3.26Å; Q41-K45 PolarHBondContact O-N 3.27Å
42K91.5Very high85.1Confident125 Ų125109.1 Ų109.154%0.54351%0.508SS..Hα-helixtrans-76.1-47174-169.6-173.7178.2-104.50109.7E38 E39 L40 L44 K45 E46E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 PolarHBondContact O-N 2.95Å; E39-K42 CarbonylContact O-C 3.57Å; E39-K42 WeakPolarHBondContact O-CA 3.33Å; E39-K42 VanDerWaalsContact O-CB 3.27Å; E39-K42 WeakPolarHBondContact O-CB 3.47Å; E39-K42 PolarHBondContact O-N 3.43Å; L40-K42 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 3.05Å; K42-K45 WeakPolarHBondContact O-CA 3.43Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 3.24Å; K42-E46 WeakPolarHBondContact CE-OE1 3.09Å; K42-E46 IonicContact NZ-OE1 2.76Å; K42-E46 PolarHBondContact NZ-OE1 2.95Å; K42-E46 WeakPolarHBondContact O-CG 3.46Å; K42-E46 PolarHBondContact O-N 3.42Å
43E83.9Confident84.4Confident107 Ų107110.4 Ų110.450%0.551%0.505SS..Hα-helixtrans-54.6-50.8173.2-68.2178.2157.600111.3E39 K45 E46 E47E39-E43 PolarHBondContact O-N 2.97Å; E43-K45 PolarHBondContact O-N 3.34Å; E43-K45 VanDerWaalsContact O-N 3.12Å; E43-E46 PolarHBondContact O-N 3.46Å; E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.44Å
44L78.9Confident83.6Confident88 Ų88108.2 Ų108.246%0.46150%0.5SS..Hα-helixtrans-62.6-17175.2-79166.8000115.1L40 K42 R48L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 WeakPolarHBondContact O-CG 3.21Å; L40-L44 PolarHBondContact O-N 2.89Å; K42-L44 PolarHBondContact O-N 3.05Å; L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 PolarHBondContact O-NH1 2.98Å; L44-R48 VanDerWaalsContact O-NH1 3.1Å
45K80.1Confident83.1Confident127 Ų127110 Ų11055%0.55251%0.507SS*.Hα-helixtrans-88.3-39171.8-75.1165-169.6160.60110.9Q41 K42 E43 A49Q41-K45 VanDerWaalsContact O-CD 3.27Å; Q41-K45 WeakPolarHBondContact O-CD 3.47Å; Q41-K45 WeakPolarHBondContact O-CG 3.26Å; Q41-K45 PolarHBondContact O-N 3.27Å; K42-K45 WeakPolarHBondContact O-CA 3.43Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 3.24Å; E43-K45 PolarHBondContact O-N 3.34Å; E43-K45 VanDerWaalsContact O-N 3.12Å; K45-A49 VanDerWaalsContact O-CB 3.27Å; K45-A49 WeakPolarHBondContact O-CB 3.36Å; K45-A49 PolarHBondContact O-N 3.41Å
46E80.4Confident82.3Confident76 Ų76104.4 Ų104.436%0.35548%0.482SS..Hα-helixtrans-68.7-40.9176.3-69.9179.8-163.800111.7K42 E43 A49 R50K42-E46 WeakPolarHBondContact CE-OE1 3.09Å; K42-E46 IonicContact NZ-OE1 2.76Å; K42-E46 PolarHBondContact NZ-OE1 2.95Å; K42-E46 WeakPolarHBondContact O-CG 3.46Å; K42-E46 PolarHBondContact O-N 3.42Å; E43-E46 PolarHBondContact O-N 3.46Å; E46-A49 PolarHBondContact O-N 3.42Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.99Å
47E79.1Confident81.5Confident101 Ų10198.1 Ų98.147%0.47246%0.455SS..Hα-helixtrans-58.3-56.3171.1-178.3179.8-137.600110.7E43 A49 R50 E51E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.44Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.5Å; E47-R50 WeakPolarHBondContact O-CA 3.16Å; E47-R50 WeakPolarHBondContact O-CB 3.23Å; E47-R50 PolarHBondContact O-N 3.04Å; E47-E51 WeakPolarHBondContact O-CG 3.25Å; E47-E51 PolarHBondContact O-N 3.44Å
48R79.7Confident81.3Confident123 Ų12396.3 Ų96.346%0.46444%0.444SS..Hα-helixtrans-56.9-38.3176.2-175.1-179-63.392.59.9112.3L44 R50 E51 E52L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 PolarHBondContact O-NH1 2.98Å; L44-R48 VanDerWaalsContact O-NH1 3.1Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R48-E51 PolarHBondContact O-N 3.31Å; R48-E52 WeakPolarHBondContact CD-OE1 3.22Å; R48-E52 HydrophobicContact CG-CG 4.28Å; R48-E52 WeakPolarHBondContact CG-OE1 3.42Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 VanDerWaalsContact O-CG 3.27Å; R48-E52 WeakPolarHBondContact O-CG 3.5Å; R48-E52 PolarHBondContact O-N 2.94Å
49A79.1Confident80.5Confident42 Ų4296.4 Ų96.435%0.34745%0.445SS..Hα-helixtrans-66.5-35.7176.900000112.3K45 E46 E47 I53K45-A49 VanDerWaalsContact O-CB 3.27Å; K45-A49 WeakPolarHBondContact O-CB 3.36Å; K45-A49 PolarHBondContact O-N 3.41Å; E46-A49 PolarHBondContact O-N 3.42Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.5Å; A49-I53 WeakPolarHBondContact O-CD1 3.32Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.48Å; A49-I53 PolarHBondContact O-N 3.2Å
50R71.3Confident79.8Confident170 Ų17094.1 Ų94.164%0.64244%0.439SS*.Hα-helixtrans-66.8-47.2171.6-71.5174.4-177.3141.44.5111.2E46 E47 R48 E52 I53 T54E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.99Å; E47-R50 WeakPolarHBondContact O-CA 3.16Å; E47-R50 WeakPolarHBondContact O-CB 3.23Å; E47-R50 PolarHBondContact O-N 3.04Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R50-E52 VanDerWaalsContact C-N 3.31Å; R50-E52 PolarHBondContact O-N 3Å; R50-I53 PolarHBondContact O-N 3.01Å; R50-I53 VanDerWaalsContact O-N 3.15Å; R50-T54 PolarHBondContact O-N 3.05Å; R50-T54 PolarHBondContact O-OG1 3.24Å
51E79Confident78.9Confident108 Ų10893 Ų9351%0.50545%0.449SS..Hα-helixtrans-58.7-40.3175.3-68.6-179.2156.800112.3E47 R48 I53 T54 R55E47-E51 WeakPolarHBondContact O-CG 3.25Å; E47-E51 PolarHBondContact O-N 3.44Å; R48-E51 PolarHBondContact O-N 3.31Å; E51-I53 VanDerWaalsContact C-N 3.32Å; E51-I53 PolarHBondContact O-N 3Å; E51-T54 WeakPolarHBondContact CA-OG1 3.41Å; E51-T54 PolarHBondContact O-N 2.99Å; E51-T54 PolarHBondContact O-OG1 2.95Å; E51-T54 VanDerWaalsContact O-OG1 3.11Å; E51-R55 WeakPolarHBondContact O-CB 3.28Å; E51-R55 PolarHBondContact O-N 3.29Å
52E80.5Confident78.2Confident121 Ų12191.7 Ų91.757%0.56546%0.455SS*.Hα-helixtrans-64.8-36.2176.8-78.8172.1-172.500111.6R48 R50 Y56R48-E52 WeakPolarHBondContact CD-OE1 3.22Å; R48-E52 HydrophobicContact CG-CG 4.28Å; R48-E52 WeakPolarHBondContact CG-OE1 3.42Å; R48-E52 WeakPolarHBondContact O-CB 3.4Å; R48-E52 VanDerWaalsContact O-CG 3.27Å; R48-E52 WeakPolarHBondContact O-CG 3.5Å; R48-E52 PolarHBondContact O-N 2.94Å; R50-E52 VanDerWaalsContact C-N 3.31Å; R50-E52 PolarHBondContact O-N 3Å; E52-Y56 WeakPolarHBondContact O-CB 3.42Å; E52-Y56 PolarHBondContact O-N 3.38Å
53I78.8Confident76.9Confident88 Ų8888.4 Ų88.445%0.45144%0.442SS..Hα-helixtrans-71.8-46.2175.5-67.4164.1000111.5A49 R50 E51 Y56 A57 I134A49-I53 WeakPolarHBondContact O-CD1 3.32Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.48Å; A49-I53 PolarHBondContact O-N 3.2Å; R50-I53 PolarHBondContact O-N 3.01Å; R50-I53 VanDerWaalsContact O-N 3.15Å; E51-I53 VanDerWaalsContact C-N 3.32Å; E51-I53 PolarHBondContact O-N 3Å; I53-Y56 PolarHBondContact O-N 3.45Å; I53-A57 PolarHBondContact O-N 3.21Å; I53-I134 HydrophobicContact CG2-CD1 4.15Å
54T74.9Confident76.3Confident75 Ų7592.6 Ų92.646%0.4646%0.459SS..Hα-helixtrans-65.3-46.7178.655.20000110.9R50 E51 Y56 A57 E58R50-T54 PolarHBondContact O-N 3.05Å; R50-T54 PolarHBondContact O-OG1 3.24Å; E51-T54 WeakPolarHBondContact CA-OG1 3.41Å; E51-T54 PolarHBondContact O-N 2.99Å; E51-T54 PolarHBondContact O-OG1 2.95Å; E51-T54 VanDerWaalsContact O-OG1 3.11Å; T54-Y56 VanDerWaalsContact C-N 3.3Å; T54-Y56 PolarHBondContact O-N 3.47Å; T54-A57 PolarHBondContact O-N 2.89Å; T54-A57 VanDerWaalsContact O-N 3.12Å; T54-E58 PolarHBondContact O-N 3.37Å
55R80.8Confident76Confident176 Ų17696 Ų9666%0.66447%0.47SS*.Hα-helixtrans-61.8-35.4175.1-176.1-178.6168.8-162-4.7112.4E51 E58 E59E51-R55 WeakPolarHBondContact O-CB 3.28Å; E51-R55 PolarHBondContact O-N 3.29Å; R55-E58 PolarHBondContact O-N 2.92Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.98Å
56Y76.5Confident75.4Confident23 Ų2397.6 Ų97.69%0.0948%0.477CS..Hα-helixtrans-63.1-46.2172.7176.7-104.7000111.2E52 I53 T54 E58 E59 T60 I134 D137 F140E52-Y56 WeakPolarHBondContact O-CB 3.42Å; E52-Y56 PolarHBondContact O-N 3.38Å; I53-Y56 PolarHBondContact O-N 3.45Å; T54-Y56 VanDerWaalsContact C-N 3.3Å; T54-Y56 PolarHBondContact O-N 3.47Å; Y56-E58 VanDerWaalsContact C-N 3.27Å; Y56-E58 PolarHBondContact O-N 3.26Å; Y56-E59 PolarHBondContact O-N 3Å; Y56-E59 VanDerWaalsContact O-N 3.13Å; Y56-T60 HydrophobicContact CD1-CG2 4.41Å; Y56-T60 HydrophobicContact CD2-CG2 4.21Å; Y56-T60 HydrophobicContact CE1-CG2 3.91Å; Y56-T60 HydrophobicContact CE2-CG2 3.67Å; Y56-T60 VanDerWaalsContact CZ-CG2 3.49Å; Y56-T60 WeakPolarHBondContact O-CG2 3.4Å; Y56-T60 PolarHBondContact O-N 3.09Å; Y56-T60 PolarHBondContact O-OG1 3.5Å; Y56-T60 VanDerWaalsContact O-OG1 3.08Å; Y56-I134 HydrophobicContact CD1-CG2 3.98Å; Y56-I134 HydrophobicContact CE1-CG2 4.09Å; Y56-D137 PolarHBondContact OH-OD2 3.04Å; Y56-F140 AromaticContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CE2 4.4Å; Y56-F140 HydrophobicContact CE1-CB 4.08Å; Y56-F140 AromaticContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CE2 4.41Å; Y56-F140 HydrophobicContact CE1-CG 4.17Å; Y56-F140 HydrophobicContact CE2-CD2 4.21Å; Y56-F140 HydrophobicContact CG-CD2 4.46Å; Y56-F140 AromaticContact CZ-CD2 3.7Å; Y56-F140 PolarHBondContact OH-N 2.98Å
57A77.8Confident74.7Confident1 Ų1100.2 Ų100.21%0.00849%0.493CS..Hα-helixtrans-65.4-27.7177.500000113.3I53 T54 T60 G61 A62 I63 I134I53-A57 PolarHBondContact O-N 3.21Å; T54-A57 PolarHBondContact O-N 2.89Å; T54-A57 VanDerWaalsContact O-N 3.12Å; A57-T60 PolarHBondContact O-OG1 2.9Å; A57-G61 PolarHBondContact O-N 3.24Å; A57-A62 PolarHBondContact O-N 3.38Å; A57-I63 HydrophobicContact CB-CD1 3.52Å; A57-I63 HydrophobicContact CB-CG1 3.81Å; A57-I63 PolarHBondContact O-N 3.43Å; A57-I134 HydrophobicContact CB-CD1 4.04Å
58E80.1Confident74.1Confident52 Ų52101.5 Ų101.524%0.24350%0.503CS..Hα-helixtrans-75.5-39.4168.2-68.8-176.317500113.2T54 R55 Y56 T60 G61 K65T54-E58 PolarHBondContact O-N 3.37Å; R55-E58 PolarHBondContact O-N 2.92Å; Y56-E58 VanDerWaalsContact C-N 3.27Å; Y56-E58 PolarHBondContact O-N 3.26Å; E58-T60 VanDerWaalsContact C-N 3.34Å; E58-G61 PolarHBondContact O-N 3.22Å; E58-G61 VanDerWaalsContact O-N 3.12Å; E58-K65 HydrophobicContact CB-CG 4.31Å; E58-K65 HydrophobicContact CG-CG 4.2Å; E58-K65 WeakPolarHBondContact OE1-CA 3.24Å; E58-K65 WeakPolarHBondContact OE2-CG 3.44Å
59E76.1Confident73.4Confident116 Ų116105.5 Ų105.554%0.54252%0.518SS..Hα-helixtrans-66.3-35.6177.8-179.5171.8-106.500111.5R55 Y56 G61 R143R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.98Å; Y56-E59 PolarHBondContact O-N 3Å; Y56-E59 VanDerWaalsContact O-N 3.13Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-R143 IonicContact OE2-CZ 3.91Å; E59-R143 IonicContact OE2-NH1 2.92Å; E59-R143 PolarHBondContact OE2-NH1 2.89Å; E59-R143 IonicContact OE2-NH2 3.53Å; E59-R143 PolarHBondContact OE2-NH2 3.43Å
60T75.6Confident72.6Confident73 Ų73106.8 Ų106.845%0.44852%0.519SS..THydrogen-bonded Turntrans-80.6-5.3171.958.60000113.7Y56 A57 E58 A62Y56-T60 HydrophobicContact CD1-CG2 4.41Å; Y56-T60 HydrophobicContact CD2-CG2 4.21Å; Y56-T60 HydrophobicContact CE1-CG2 3.91Å; Y56-T60 HydrophobicContact CE2-CG2 3.67Å; Y56-T60 VanDerWaalsContact CZ-CG2 3.49Å; Y56-T60 WeakPolarHBondContact O-CG2 3.4Å; Y56-T60 PolarHBondContact O-N 3.09Å; Y56-T60 PolarHBondContact O-OG1 3.5Å; Y56-T60 VanDerWaalsContact O-OG1 3.08Å; A57-T60 PolarHBondContact O-OG1 2.9Å; E58-T60 VanDerWaalsContact C-N 3.34Å; T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.97Å
61G69.3Low72.4Confident62 Ų62104 Ų10464%0.63952%0.517SS*.THydrogen-bonded Turntrans74.210.8178.700000115.2A57 E58 E59 I63A57-G61 PolarHBondContact O-N 3.24Å; E58-G61 PolarHBondContact O-N 3.22Å; E58-G61 VanDerWaalsContact O-N 3.12Å; E59-G61 VanDerWaalsContact C-N 3.28Å; G61-I63 VanDerWaalsContact C-N 3.31Å
62A68.9Low72.1Confident72 Ų72108.2 Ų108.260%0.59553%0.528SS*.SBendtrans-70.7-26.1175.800000112.7A57 T60A57-A62 PolarHBondContact O-N 3.38Å; T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.97Å
63I63.6Low71.3Confident56 Ų56107.4 Ų107.429%0.28753%0.526SS..SBendtrans-125.7138.3176.2-52.3176.7000109.4A57 G61 L130A57-I63 HydrophobicContact CB-CD1 3.52Å; A57-I63 HydrophobicContact CB-CG1 3.81Å; A57-I63 PolarHBondContact O-N 3.43Å; G61-I63 VanDerWaalsContact C-N 3.31Å; I63-L130 HydrophobicContact CD1-CD2 3.97Å
64K72.8Confident70.5Confident194 Ų194111.1 Ų111.184%0.84354%0.535SS*.PPolyproline II helixtrans-74.7131.9169.5-66.7-178.3-179.1177.50109.6K66K64-K66 PolarHBondContact O-N 2.92Å
65K72.6Confident70Confident160 Ų160113.1 Ų113.170%0.69654%0.54SS*.PPolyproline II helixtrans-52.4131.8178.8-55.8-162.9170.1-175.60111.8E58E58-K65 HydrophobicContact CB-CG 4.31Å; E58-K65 HydrophobicContact CG-CG 4.2Å; E58-K65 WeakPolarHBondContact OE1-CA 3.24Å; E58-K65 WeakPolarHBondContact OE2-CG 3.44Å
66K66.1Low68.8Low161 Ų161106.3 Ų106.370%0.752%0.524SS*.PPolyproline II helixtrans-90.6138.3172.7-64.8-173.9175.1-175.90109.7K64 D68K64-K66 PolarHBondContact O-N 2.92Å; K66-D68 PolarHBondContact O-N 3.29Å
67D65.3Low67.9Low131 Ų131111.4 Ų111.470%0.70156%0.56SS**  trans-84.982.2172.7-93.8-38.2000109.6R69 L70D67-R69 PolarHBondContact O-N 3.04Å; D67-L70 PolarHBondContact O-N 2.87Å
68D67.6Low66.8Low127 Ų127115.2 Ų115.268%0.67959%0.591SS**Hα-helixtrans-51.7-24.3-179.7-57.9-28.7000113.4K66 L70 D71K66-D68 PolarHBondContact O-N 3.29Å; D68-L70 PolarHBondContact O-N 2.83Å; D68-D71 PolarHBondContact O-N 3.44Å
69R64.8Low65.7Low207 Ų207113.9 Ų113.978%0.78159%0.591SS**Hα-helixtrans-60.3-24.4175.7-177.7175177-176.9-1.1113.9D67 W72D67-R69 PolarHBondContact O-N 3.04Å; R69-W72 VanDerWaalsContact O-CD1 3.29Å; R69-W72 PolarHBondContact O-NE1 3.35Å
70L62.3Low64.4Low70 Ų70116.7 Ų116.737%0.36661%0.605SS.*Hα-helixtrans-99.7-22.3-176-94.357.9000112.7D67 D68 W72 M73 Y74D67-L70 PolarHBondContact O-N 2.87Å; D68-L70 PolarHBondContact O-N 2.83Å; L70-W72 PolarHBondContact O-N 3.4Å; L70-M73 HydrophobicContact CG-CE 4.34Å; L70-M73 WeakPolarHBondContact O-CA 3.47Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 2.95Å; L70-Y74 HydrophobicContact CB-CD2 3.95Å; L70-Y74 HydrophobicContact CB-CE2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 3.87Å; L70-Y74 HydrophobicContact CG-CD2 4.43Å; L70-Y74 HydrophobicContact CG-CE2 3.84Å; L70-Y74 VanDerWaalsContact O-CD2 3.26Å; L70-Y74 WeakPolarHBondContact O-CD2 3.47Å; L70-Y74 PolarHBondContact O-N 3.14Å; L70-Y74 VanDerWaalsContact O-N 3.1Å
71D67.6Low63.4Low110 Ų110116.3 Ų116.359%0.58860%0.602SS**Hα-helixtrans-61.6-46.2-168.6-146.339.8000112.4D68 M73 Y74 Q75D68-D71 PolarHBondContact O-N 3.44Å; D71-M73 PolarHBondContact O-N 3.22Å; D71-M73 VanDerWaalsContact O-N 3.07Å; D71-Y74 PolarHBondContact O-N 3.43Å; D71-Y74 VanDerWaalsContact O-N 3.14Å; D71-Q75 PolarHBondContact O-N 2.94Å
72W72.9Confident62.8Low197 Ų197115.3 Ų115.375%0.74659%0.585SS**Hα-helixtrans-61.6-17.8175.274.5-84000114.5R69 L70R69-W72 VanDerWaalsContact O-CD1 3.29Å; R69-W72 PolarHBondContact O-NE1 3.35Å; L70-W72 PolarHBondContact O-N 3.4Å
73M62.3Low62.4Low104 Ų104121.3 Ų121.351%0.51259%0.592SS.*Hα-helixtrans-93.6-30.3178.2-173.6-172.872.100112L70 D71L70-M73 HydrophobicContact CG-CE 4.34Å; L70-M73 WeakPolarHBondContact O-CA 3.47Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 2.95Å; D71-M73 PolarHBondContact O-N 3.22Å; D71-M73 VanDerWaalsContact O-N 3.07Å
74Y63Low62.3Low167 Ų167124.1 Ų124.166%0.65561%0.608SS**Hα-helixtrans-87.3-9.7173.8-69.6-74.5000113.5L70 D71 G76L70-Y74 HydrophobicContact CB-CD2 3.95Å; L70-Y74 HydrophobicContact CB-CE2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 3.87Å; L70-Y74 HydrophobicContact CG-CD2 4.43Å; L70-Y74 HydrophobicContact CG-CE2 3.84Å; L70-Y74 VanDerWaalsContact O-CD2 3.26Å; L70-Y74 WeakPolarHBondContact O-CD2 3.47Å; L70-Y74 PolarHBondContact O-N 3.14Å; L70-Y74 VanDerWaalsContact O-N 3.1Å; D71-Y74 PolarHBondContact O-N 3.43Å; D71-Y74 VanDerWaalsContact O-N 3.14Å; Y74-G76 PolarHBondContact O-N 2.74Å
75Q63.2Low62Low117 Ų117118.9 Ų118.955%0.54759%0.587SS.*  trans-67.762.6161.3-153.874.510.100111.1D71 G79D71-Q75 PolarHBondContact O-N 2.94Å; Q75-G79 PolarHBondContact NE2-O 2.96Å
76G57.2Low62Low33 Ų33114.2 Ų114.234%0.3457%0.565SS.*  trans-65.1-176.117700000112.6Y74 A78 G79Y74-G76 PolarHBondContact O-N 2.74Å; G76-A78 PolarHBondContact O-N 2.96Å; G76-G79 WeakPolarHBondContact O-CA 3.43Å; G76-G79 PolarHBondContact O-N 2.8Å
77P57.8Low62.3Low129 Ų129112.7 Ų112.784%0.83856%0.564SS**G310 helixtrans-55.8-25.4-176.5-28.336.5000115.4G79P77-G79 VanDerWaalsContact C-N 3.31Å
78A53.3Low62.5Low81 Ų81113.7 Ų113.767%0.66957%0.569SS**G310 helixtrans-71.1-21.4172.200000113.8G76 Q80 V81G76-A78 PolarHBondContact O-N 2.96Å; A78-Q80 PolarHBondContact O-N 2.78Å; A78-V81 VanDerWaalsContact O-CB 3.26Å; A78-V81 WeakPolarHBondContact O-CB 3.5Å; A78-V81 PolarHBondContact O-N 3.2Å
79G56.3Low62.3Low24 Ų24110.6 Ų110.625%0.24757%0.566CS.*G310 helixtrans-761.5176.400000114.9Q75 G76 P77 V81Q75-G79 PolarHBondContact NE2-O 2.96Å; G76-G79 WeakPolarHBondContact O-CA 3.43Å; G76-G79 PolarHBondContact O-N 2.8Å; P77-G79 VanDerWaalsContact C-N 3.31Å; G79-V81 VanDerWaalsContact C-N 3.28Å
80Q50.7Low62.9Low175 Ų175107.5 Ų107.582%0.81856%0.555SS**G310 helixtrans-76.4-18.5161.5-77.6-82.9-90.200112A78 S82A78-Q80 PolarHBondContact O-N 2.78Å; Q80-S82 VanDerWaalsContact C-N 3.33Å; Q80-S82 PolarHBondContact O-N 3.3Å
81V54.4Low63.2Low65 Ų65109.5 Ų109.539%0.39457%0.572SS.*SBendtrans-80.186.6172-175.50000107A78 G79 R83 Y86 I96A78-V81 VanDerWaalsContact O-CB 3.26Å; A78-V81 WeakPolarHBondContact O-CB 3.5Å; A78-V81 PolarHBondContact O-N 3.2Å; G79-V81 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3.13Å; V81-Y86 HydrophobicContact CB-CE2 4.32Å; V81-Y86 HydrophobicContact CG1-CD2 3.81Å; V81-Y86 HydrophobicContact CG1-CE2 3.28Å; V81-I96 HydrophobicContact CG1-CD1 4.01Å
82S56.1Low63Low41 Ų41109.3 Ų109.329%0.28757%0.57SS.*  trans-59.694.5176.9-178.20000109.8Q80 D84 E85 Y86Q80-S82 VanDerWaalsContact C-N 3.33Å; Q80-S82 PolarHBondContact O-N 3.3Å; S82-D84 PolarHBondContact O-N 2.93Å; S82-D84 VanDerWaalsContact O-N 3.15Å; S82-E85 WeakPolarHBondContact CB-OE1 3.31Å; S82-E85 WeakPolarHBondContact O-CB 3.37Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.03Å; S82-E85 PolarHBondContact OG-OE1 2.93Å; S82-Y86 VanDerWaalsContact O-CD2 3.25Å; S82-Y86 WeakPolarHBondContact O-CD2 3.45Å; S82-Y86 PolarHBondContact O-N 2.72Å
83R61.2Low62.6Low198 Ų198103.9 Ų103.975%0.74756%0.556SS**Hα-helixtrans-56.4-34-174.9-176.4167.7178.6148.9-0.3111.7V81 Y86 L87V81-R83 PolarHBondContact O-N 3.13Å; R83-Y86 PolarHBondContact O-N 2.82Å; R83-L87 HydrophobicContact CG-CD1 4.28Å; R83-L87 WeakPolarHBondContact O-CD1 3.43Å; R83-L87 PolarHBondContact O-N 3.34Å; R83-L87 VanDerWaalsContact O-N 3.08Å
84D60.4Low62.5Low116 Ų116106.7 Ų106.762%0.6257%0.565SS**Hα-helixtrans-68.6-33.9177.5-58.7-17.8000111.8S82 L87 L88S82-D84 PolarHBondContact O-N 2.93Å; S82-D84 VanDerWaalsContact O-N 3.15Å; D84-L87 PolarHBondContact O-N 3.08Å; D84-L88 WeakPolarHBondContact O-CB 3.49Å; D84-L88 WeakPolarHBondContact O-CD1 3.23Å; D84-L88 WeakPolarHBondContact O-CG 3.32Å; D84-L88 PolarHBondContact O-N 2.89Å
85E67.7Low62.3Low84 Ų84106 Ų10639%0.39357%0.568SS.*Hα-helixtrans-67.8-37.3174-75170.8-126.800112.8S82 L88 G89 R90S82-E85 WeakPolarHBondContact CB-OE1 3.31Å; S82-E85 WeakPolarHBondContact O-CB 3.37Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.03Å; S82-E85 PolarHBondContact OG-OE1 2.93Å; E85-L88 CarbonylContact O-C 3.45Å; E85-L88 PolarHBondContact O-N 3.12Å; E85-G89 PolarHBondContact O-N 3.4Å; E85-R90 HydrophobicContact CB-CB 4.31Å; E85-R90 VanDerWaalsContact O-CB 3.27Å; E85-R90 WeakPolarHBondContact O-CB 3.35Å; E85-R90 PolarHBondContact O-N 3.44Å; E85-R90 WeakPolarHBondContact OE2-CD 3.46Å; E85-R90 IonicContact OE2-CZ 2.7Å; E85-R90 IonicContact OE2-NE 3.68Å; E85-R90 PolarHBondContact OE2-NE 3.16Å; E85-R90 IonicContact OE2-NH2 2.72Å
86Y71.2Confident62.1Low61 Ų61103.4 Ų103.424%0.23956%0.557CS.*Hα-helixtrans-70.1-36.4174.8-67.4-79.3000111.7V81 S82 R83 L88 G89 R90 I92V81-Y86 HydrophobicContact CB-CE2 4.32Å; V81-Y86 HydrophobicContact CG1-CD2 3.81Å; V81-Y86 HydrophobicContact CG1-CE2 3.28Å; S82-Y86 VanDerWaalsContact O-CD2 3.25Å; S82-Y86 WeakPolarHBondContact O-CD2 3.45Å; S82-Y86 PolarHBondContact O-N 2.72Å; R83-Y86 PolarHBondContact O-N 2.82Å; Y86-L88 PolarHBondContact O-N 3.37Å; Y86-G89 PolarHBondContact O-N 3.25Å; Y86-R90 HydrophobicContact CD1-CB 4.45Å; Y86-R90 WeakPolarHBondContact CD1-O 3.27Å; Y86-I92 HydrophobicContact CD1-CG1 4.18Å
87L73.4Confident62.1Low129 Ų129104.9 Ų104.968%0.67556%0.559SS**Hα-helixtrans-64.7-28.5169.6-97.971.7000112.7R83 D84 G89R83-L87 HydrophobicContact CG-CD1 4.28Å; R83-L87 WeakPolarHBondContact O-CD1 3.43Å; R83-L87 PolarHBondContact O-N 3.34Å; R83-L87 VanDerWaalsContact O-N 3.08Å; D84-L87 PolarHBondContact O-N 3.08Å; L87-G89 VanDerWaalsContact C-N 3.29Å
88L68.8Low62Low153 Ų153104.9 Ų104.980%0.80155%0.552SS**THydrogen-bonded Turntrans-87.111.2175.5-69.2168.1000113.7D84 E85 Y86D84-L88 WeakPolarHBondContact O-CB 3.49Å; D84-L88 WeakPolarHBondContact O-CD1 3.23Å; D84-L88 WeakPolarHBondContact O-CG 3.32Å; D84-L88 PolarHBondContact O-N 2.89Å; E85-L88 CarbonylContact O-C 3.45Å; E85-L88 PolarHBondContact O-N 3.12Å; Y86-L88 PolarHBondContact O-N 3.37Å
89G63.4Low62Low61 Ų61108.5 Ų108.563%0.62956%0.555SS**THydrogen-bonded Turntrans92.115.4169.100000116E85 Y86 L87E85-G89 PolarHBondContact O-N 3.4Å; Y86-G89 PolarHBondContact O-N 3.25Å; L87-G89 VanDerWaalsContact C-N 3.29Å
90R78Confident61.9Low143 Ų143116.7 Ų116.754%0.5458%0.58SS.*PPolyproline II helixtrans-63.6128.1166.2-150.4-169.4-143.9-86.20.9108.4E85 Y86 I92E85-R90 HydrophobicContact CB-CB 4.31Å; E85-R90 VanDerWaalsContact O-CB 3.27Å; E85-R90 WeakPolarHBondContact O-CB 3.35Å; E85-R90 PolarHBondContact O-N 3.44Å; E85-R90 WeakPolarHBondContact OE2-CD 3.46Å; E85-R90 IonicContact OE2-CZ 2.7Å; E85-R90 IonicContact OE2-NE 3.68Å; E85-R90 PolarHBondContact OE2-NE 3.16Å; E85-R90 IonicContact OE2-NH2 2.72Å; Y86-R90 HydrophobicContact CD1-CB 4.45Å; Y86-R90 WeakPolarHBondContact CD1-O 3.27Å; R90-I92 PolarHBondContact O-N 3.09Å
91P67.8Low61.7Low112 Ų112116.7 Ų116.773%0.72758%0.58SS**PPolyproline II helixtrans-61.3135.1-177.623.9-33.7000110.8D93P91-D93 PolarHBondContact O-N 3.39Å
92I63.5Low61.1Low106 Ų106121.9 Ų121.954%0.54460%0.6SS.*PPolyproline II helixtrans-63.2131.2-179-58.5173.4000109.2Y86 R90 I96 T97Y86-I92 HydrophobicContact CD1-CG1 4.18Å; R90-I92 PolarHBondContact O-N 3.09Å; I92-I96 HydrophobicContact CG2-CB 4.02Å; I92-I96 HydrophobicContact CG2-CG2 4.28Å; I92-T97 HydrophobicContact CG2-CG2 4.19Å
93D64Low60.8Low83 Ų83125.8 Ų125.844%0.44462%0.624SS.*PPolyproline II helixtrans-72.2137.2173.5-163.8-12.2000109.7P91 Q95 I96P91-D93 PolarHBondContact O-N 3.39Å; D93-Q95 PolarHBondContact O-N 3.18Å; D93-I96 WeakPolarHBondContact O-CB 3.39Å; D93-I96 PolarHBondContact O-N 3.41Å
94K61.2Low60Low163 Ų163126 Ų12671%0.70963%0.634SS**Hα-helixtrans-61.4-19.9-173.8-62.8-176.5179.3-170.60112.9I96 T97 D98K94-I96 PolarHBondContact O-N 2.6Å; K94-T97 PolarHBondContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.15Å; K94-D98 PolarHBondContact O-N 3.41Å
95Q57.8Low59.3Low152 Ų152126.5 Ų126.571%0.7165%0.646SS**Hα-helixtrans-66.8-17.2174.3-54.9-170.4-1.700113.6D93D93-Q95 PolarHBondContact O-N 3.18Å
96I59.1Low58.3Low63 Ų63125.3 Ų125.332%0.32366%0.657SS.*Hα-helixtrans-91.8-35178.3-60.8173.1000111V81 I92 D93 K94V81-I96 HydrophobicContact CG1-CD1 4.01Å; I92-I96 HydrophobicContact CG2-CB 4.02Å; I92-I96 HydrophobicContact CG2-CG2 4.28Å; D93-I96 WeakPolarHBondContact O-CB 3.39Å; D93-I96 PolarHBondContact O-N 3.41Å; K94-I96 PolarHBondContact O-N 2.6Å
97T57.7Low57.1Low63 Ų63129.4 Ų129.439%0.38769%0.691SS.*Hα-helixtrans-66.6-45.2179.647.40000111.7I92 K94 Q99 Y100 E101I92-T97 HydrophobicContact CG2-CG2 4.19Å; K94-T97 PolarHBondContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.15Å; T97-Q99 PolarHBondContact O-N 3.01Å; T97-Y100 PolarHBondContact O-N 3.32Å; T97-Y100 VanDerWaalsContact O-N 3.09Å; T97-E101 PolarHBondContact O-N 2.83Å
98D55.5Low55.9Low129 Ų129126.5 Ų126.569%0.6968%0.681SS**THydrogen-bonded Turntrans-68.6-9.2-174.9-59.68.1000113.5K94K94-D98 PolarHBondContact O-N 3.41Å
99Q53.9Low55.1Low158 Ų158124 Ų12474%0.73868%0.683SS**THydrogen-bonded Turntrans-95.4-10.8177.2-69.5-99.9-62.500113.5T97T97-Q99 PolarHBondContact O-N 3.01Å
100Y53.5Low54.3Low195 Ų195130.4 Ų130.477%0.76570%0.696SS**THydrogen-bonded Turntrans-134.915.2-170.7-74.4-82.5000114.7T97 E102T97-Y100 PolarHBondContact O-N 3.32Å; T97-Y100 VanDerWaalsContact O-N 3.09Å; Y100-E102 PolarHBondContact O-N 2.96Å
101E46.3Very low53.1Low175 Ų175128.9 Ų128.982%0.81870%0.703SS**  trans-70.679.7162.4-74.1-161.6158.700110.6T97T97-E101 PolarHBondContact O-N 2.83Å
102E43.3Very low52.5Low175 Ų175127.1 Ų127.182%0.81871%0.705SS**  trans-82.7140.3148.7-74.1-152.7150.700109.2Y100 E104Y100-E102 PolarHBondContact O-N 2.96Å; E102-E104 PolarHBondContact O-N 3.47Å
103P48.8Very low51.8Low122 Ų122129 Ų12979%0.79272%0.715SS**  trans-70.2112.717928-33.4000110.8S105P103-S105 PolarHBondContact O-N 3.27Å
104E45Very low51.2Low204 Ų204131 Ų13195%0.95373%0.725SS**  trans-58.3110.6170.9-79.7-164.2133.800110.8E102E102-E104 PolarHBondContact O-N 3.47Å
105S45.2Very low50.4Low126 Ų126129.8 Ų129.888%0.88173%0.734SS**  trans-128.386.9163.8-1710000108.5P103P103-S105 PolarHBondContact O-N 3.27Å
106G47.6Very low50Low59 Ų59124.5 Ų124.561%0.60872%0.72SS**  trans-152.5128.1-178.200000111.4S108G106-S108 PolarHBondContact O-N 3.12Å
107P45.8Very low49.7Very low147 Ų147125.4 Ų125.496%0.95573%0.732SS**SBendtrans-80.381.6-173.832.7-35.3000111.3
108S47.6Very low49.7Very low67 Ų67130.2 Ų130.247%0.46975%0.754SS.*  trans-133.421.6178.4-168.80000114.1G106 L114G106-S108 PolarHBondContact O-N 3.12Å; S108-L114 WeakPolarHBondContact OG-CD2 3.32Å
109A52.3Low49.5Very low101 Ų101133.2 Ų133.284%0.83576%0.761SS**SBendtrans-86.6-26.7-177.700000114.8
110E47.6Very low49.3Very low195 Ų195129.7 Ų129.791%0.91175%0.748SS**SBendtrans-99.8-9.7-164.7-71.1-169.7135.800116.6
111T52.3Low49.3Very low112 Ų112126.6 Ų126.669%0.68775%0.751SS**SBendtrans-119.8-7.4-175.324.70000116L113T111-L113 PolarHBondContact O-N 2.89Å
112G54.5Low49.6Very low75 Ų75122.1 Ų122.177%0.77374%0.744SS**SBendtrans60.7-1.6171.500000117
113L48.8Very low50Low145 Ų145117 Ų11776%0.75972%0.724SS**  trans-131.9105.3-175.2-68.4175.5000108.8T111 P115T111-L113 PolarHBondContact O-N 2.89Å; L113-P115 VanDerWaalsContact O-CD 3.23Å; L113-P115 WeakPolarHBondContact O-CD 3.47Å
114L50.9Low50.2Low124 Ų124116.8 Ų116.865%0.64972%0.723SS**  trans-66.2116.1172.2-67.7169.5000109.6S108 G116 S117S108-L114 WeakPolarHBondContact OG-CD2 3.32Å; L114-G116 VanDerWaalsContact C-N 3.27Å; L114-G116 PolarHBondContact O-N 3.32Å; L114-S117 PolarHBondContact O-N 3.48Å
115P45Very low50.4Low139 Ų139110.3 Ų110.390%0.90371%0.705SS**THydrogen-bonded Turntrans-70.285.817429.8-33.7000109.6L113L113-P115 VanDerWaalsContact O-CD 3.23Å; L113-P115 WeakPolarHBondContact O-CD 3.47Å
116G50.5Low51Low40 Ų40107.6 Ų107.641%0.41269%0.686SS.*THydrogen-bonded Turntrans167.4-20.1-175.500000114.5L114 I118 F119 N120L114-G116 VanDerWaalsContact C-N 3.27Å; L114-G116 PolarHBondContact O-N 3.32Å; G116-I118 PolarHBondContact O-N 3.18Å; G116-I118 VanDerWaalsContact O-N 3.14Å; G116-F119 PolarHBondContact O-N 3.43Å; G116-N120 PolarHBondContact O-N 2.81Å
117S52Low51.4Low82 Ų82107.3 Ų107.357%0.57368%0.683SS**THydrogen-bonded Turntrans-58.8-28.8-176.5-167.30000114.5L114L114-S117 PolarHBondContact O-N 3.48Å
118I56.7Low51.8Low164 Ų164107.6 Ų107.684%0.84168%0.675SS**THydrogen-bonded Turntrans-78.8-25.2179-58.5174.5000112.3G116G116-I118 PolarHBondContact O-N 3.18Å; G116-I118 VanDerWaalsContact O-N 3.14Å
119F52.3Low52.5Low193 Ų193107.8 Ų107.885%0.84667%0.671SS**THydrogen-bonded Turntrans-104.93.8-176.5-82-81.8000113.9G116 P121G116-F119 PolarHBondContact O-N 3.43Å; F119-P121 VanDerWaalsContact O-CD 3.23Å; F119-P121 WeakPolarHBondContact O-CD 3.31Å
120N49.1Very low53.2Low84 Ų84105.6 Ų105.645%0.44965%0.645SS.*  trans-90.8106.4178.7-170.51.9000111.2G116 A122G116-N120 PolarHBondContact O-N 2.81Å; N120-A122 PolarHBondContact O-N 3.12Å; N120-A122 WeakPolarHBondContact OD1-CB 3.41Å; N120-A122 PolarHBondContact OD1-N 2.79Å
121P54.5Low53.9Low130 Ų13099 Ų9984%0.84462%0.623SS**THydrogen-bonded Turntrans-71.81.4-178.232.4-37.9000113.9F119F119-P121 VanDerWaalsContact O-CD 3.23Å; F119-P121 WeakPolarHBondContact O-CD 3.31Å
122A52Low55.1Low80 Ų8095.5 Ų95.566%0.66161%0.606SS**THydrogen-bonded Turntrans-99.518.1-173.700000114.9N120N120-A122 PolarHBondContact O-N 3.12Å; N120-A122 WeakPolarHBondContact OD1-CB 3.41Å; N120-A122 PolarHBondContact OD1-N 2.79Å
123T51.9Low56.2Low67 Ų6797.8 Ų97.841%0.41160%0.595SS.*  trans-90.1137.4177.949.70000112.7A125T123-A125 PolarHBondContact O-N 3.39Å
124P52.4Low57.4Low118 Ų11891.8 Ų91.877%0.76656%0.563SS**THydrogen-bonded Turntrans-78.616.1-172.132.5-36.8000115.2S126P124-S126 PolarHBondContact O-N 2.64Å
125A49.6Very low58.7Low68 Ų6892.6 Ų92.656%0.56256%0.558SS**THydrogen-bonded Turntrans-57-25162.200000111.7T123 G127 L128 D129T123-A125 PolarHBondContact O-N 3.39Å; A125-G127 VanDerWaalsContact C-N 3.25Å; A125-G127 PolarHBondContact O-N 3.24Å; A125-G127 VanDerWaalsContact O-N 3.09Å; A125-L128 PolarHBondContact O-N 2.85Å; A125-D129 VanDerWaalsContact O-CB 3.23Å; A125-D129 WeakPolarHBondContact O-CB 3.19Å; A125-D129 PolarHBondContact O-N 2.84Å; A125-D129 VanDerWaalsContact O-N 3.11Å
126S58.3Low60.5Low70 Ų7090.6 Ų90.649%0.4954%0.536SS..Hα-helixtrans-44.5-36.9177.2-175.70000115.2P124 L130P124-S126 PolarHBondContact O-N 2.64Å; S126-L130 WeakPolarHBondContact O-CA 3.28Å; S126-L130 WeakPolarHBondContact O-CB 3.45Å; S126-L130 PolarHBondContact O-N 3.48Å
127G55.9Low62.1Low52 Ų5290.5 Ų90.554%0.53653%0.526SS..Hα-helixtrans-66-52.9-176.100000114.3A125 A131A125-G127 VanDerWaalsContact C-N 3.25Å; A125-G127 PolarHBondContact O-N 3.24Å; A125-G127 VanDerWaalsContact O-N 3.09Å; G127-A131 WeakPolarHBondContact O-CB 3.15Å; G127-A131 PolarHBondContact O-N 2.94Å; G127-A131 VanDerWaalsContact O-N 3.12Å
128L53.9Low63.8Low154 Ų15490.6 Ų90.681%0.80653%0.525SS*.Hα-helixtrans-74.4-36.4178.2-72.8172.4000111.7A125 A131 A132A125-L128 PolarHBondContact O-N 2.85Å; L128-A131 PolarHBondContact O-N 3.31Å; L128-A132 VanDerWaalsContact O-CB 3.32Å; L128-A132 WeakPolarHBondContact O-CB 3.33Å; L128-A132 PolarHBondContact O-N 3.47Å
129D63Low65.1Low71 Ų7188.5 Ų88.538%0.3852%0.515SS..Hα-helixtrans-66.8-39.6176.8-178.729.8000111.7A125 A132 K133A125-D129 VanDerWaalsContact O-CB 3.23Å; A125-D129 WeakPolarHBondContact O-CB 3.19Å; A125-D129 PolarHBondContact O-N 2.84Å; A125-D129 VanDerWaalsContact O-N 3.11Å; D129-A132 PolarHBondContact O-N 3.15Å; D129-K133 VanDerWaalsContact CG-NZ 3.25Å; D129-K133 VanDerWaalsContact O-CB 3.31Å; D129-K133 WeakPolarHBondContact O-CB 3.07Å; D129-K133 WeakPolarHBondContact O-CD 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.2Å; D129-K133 WeakPolarHBondContact OD1-CE 3.3Å; D129-K133 IonicContact OD1-NZ 2.6Å; D129-K133 PolarHBondContact OD1-NZ 3.13Å; D129-K133 WeakPolarHBondContact OD2-CE 3.22Å; D129-K133 IonicContact OD2-NZ 3.75Å; D129-K133 PolarHBondContact OD2-NZ 2.85Å
130L65.8Low66.5Low55 Ų5581.8 Ų81.829%0.28849%0.486SS..Hα-helixtrans-68.7-40.7173.3-175.463.7000112.1I63 S126 A132 K133 I134I63-L130 HydrophobicContact CD1-CD2 3.97Å; S126-L130 WeakPolarHBondContact O-CA 3.28Å; S126-L130 WeakPolarHBondContact O-CB 3.45Å; S126-L130 PolarHBondContact O-N 3.48Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 3.12Å; L130-K133 PolarHBondContact O-N 2.93Å; L130-I134 HydrophobicContact CD1-CD1 4.2Å; L130-I134 HydrophobicContact CD1-CG1 4.39Å; L130-I134 HydrophobicContact CG-CD1 3.95Å; L130-I134 WeakPolarHBondContact O-CB 3.28Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.36Å
131A63.2Low68.3Low55 Ų5580.4 Ų80.446%0.45548%0.477SS..Hα-helixtrans-63.3-38173.700000111.9G127 L128 R135G127-A131 WeakPolarHBondContact O-CB 3.15Å; G127-A131 PolarHBondContact O-N 2.94Å; G127-A131 VanDerWaalsContact O-N 3.12Å; L128-A131 PolarHBondContact O-N 3.31Å; A131-R135 VanDerWaalsContact O-CB 3.28Å; A131-R135 WeakPolarHBondContact O-CB 3.45Å; A131-R135 PolarHBondContact O-N 3.42Å
132A76.3Confident69.8Low40 Ų4078.5 Ų78.533%0.33146%0.458SS..Hα-helixtrans-66.4-46.3172.200000111.7L128 D129 L130 I134 R135 E136L128-A132 VanDerWaalsContact O-CB 3.32Å; L128-A132 WeakPolarHBondContact O-CB 3.33Å; L128-A132 PolarHBondContact O-N 3.47Å; D129-A132 PolarHBondContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 3.12Å; A132-I134 PolarHBondContact O-N 3.02Å; A132-R135 PolarHBondContact O-N 3.37Å; A132-R135 VanDerWaalsContact O-N 3.12Å; A132-E136 WeakPolarHBondContact O-CB 3.46Å; A132-E136 WeakPolarHBondContact O-CG 3.43Å; A132-E136 PolarHBondContact O-N 3.34Å
133K78.9Confident71.4Confident122 Ų12281 Ų8153%0.5345%0.451SS..Hα-helixtrans-59.9-40.2176.2-77162.8175.4166.40112.7D129 L130 D137D129-K133 VanDerWaalsContact CG-NZ 3.25Å; D129-K133 VanDerWaalsContact O-CB 3.31Å; D129-K133 WeakPolarHBondContact O-CB 3.07Å; D129-K133 WeakPolarHBondContact O-CD 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.2Å; D129-K133 WeakPolarHBondContact OD1-CE 3.3Å; D129-K133 IonicContact OD1-NZ 2.6Å; D129-K133 PolarHBondContact OD1-NZ 3.13Å; D129-K133 WeakPolarHBondContact OD2-CE 3.22Å; D129-K133 IonicContact OD2-NZ 3.75Å; D129-K133 PolarHBondContact OD2-NZ 2.85Å; L130-K133 PolarHBondContact O-N 2.93Å; K133-D137 WeakPolarHBondContact O-CB 3.4Å; K133-D137 PolarHBondContact O-N 2.88Å
134I72.8Confident73.1Confident19 Ų1983.7 Ų83.710%0.09746%0.457CS..Hα-helixtrans-69.7-38.6174.1-67.4166.2000110.7I53 Y56 A57 L130 A132 F140I53-I134 HydrophobicContact CG2-CD1 4.15Å; Y56-I134 HydrophobicContact CD1-CG2 3.98Å; Y56-I134 HydrophobicContact CE1-CG2 4.09Å; A57-I134 HydrophobicContact CB-CD1 4.04Å; L130-I134 HydrophobicContact CD1-CD1 4.2Å; L130-I134 HydrophobicContact CD1-CG1 4.39Å; L130-I134 HydrophobicContact CG-CD1 3.95Å; L130-I134 WeakPolarHBondContact O-CB 3.28Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.36Å; A132-I134 PolarHBondContact O-N 3.02Å; I134-F140 HydrophobicContact CG2-CD1 4.5Å; I134-F140 HydrophobicContact CG2-CD2 4.36Å; I134-F140 HydrophobicContact CG2-CE2 4.44Å; I134-F140 HydrophobicContact CG2-CG 4.38Å; I134-F140 WeakPolarHBondContact O-CB 3.32Å; I134-F140 WeakPolarHBondContact O-CD1 3.44Å; I134-F140 VanDerWaalsContact O-CG 3.31Å; I134-F140 WeakPolarHBondContact O-CG 3.48Å
135R78.7Confident74.8Confident141 Ų14183.8 Ų83.853%0.53244%0.442SS..Hα-helixtrans-69.5-35.3178.5-168.517964.963.74.3113A131 A132A131-R135 VanDerWaalsContact O-CB 3.28Å; A131-R135 WeakPolarHBondContact O-CB 3.45Å; A131-R135 PolarHBondContact O-N 3.42Å; A132-R135 PolarHBondContact O-N 3.37Å; A132-R135 VanDerWaalsContact O-N 3.12Å
136E81.9Confident76.7Confident97 Ų9785.3 Ų85.345%0.45344%0.437SS..Hα-helixtrans-961.3179.9-56.3-62.6-176.400113.7A132 P138 Q141A132-E136 WeakPolarHBondContact O-CB 3.46Å; A132-E136 WeakPolarHBondContact O-CG 3.43Å; A132-E136 PolarHBondContact O-N 3.34Å; E136-P138 WeakPolarHBondContact O-CD 3.48Å; E136-Q141 PolarHBondContact OE2-NE2 3.06Å; E136-Q141 VanDerWaalsContact OE2-NE2 3.13Å
137D85.8Confident77.9Confident38 Ų3887.3 Ų87.320%0.20344%0.439CS..  trans-62.1120.1170.5165.728.3000110Y56 K133 L139 F140 Q141Y56-D137 PolarHBondContact OH-OD2 3.04Å; K133-D137 WeakPolarHBondContact O-CB 3.4Å; K133-D137 PolarHBondContact O-N 2.88Å; D137-L139 PolarHBondContact O-N 3.02Å; D137-L139 WeakPolarHBondContact OD1-CB 3.32Å; D137-L139 PolarHBondContact OD1-N 3.33Å; D137-F140 HydrophobicContact CB-CB 3.91Å; D137-F140 PolarHBondContact O-N 3.39Å; D137-F140 WeakPolarHBondContact OD2-CB 3.33Å; D137-F140 PolarHBondContact OD2-N 3.31Å; D137-Q141 WeakPolarHBondContact O-CG 3.45Å; D137-Q141 PolarHBondContact O-N 2.91Å
138P86.8Confident79.5Confident85 Ų8591 Ų9155%0.55244%0.442SS*.Hα-helixtrans-59.8-30.2179.224.4-34.7000113E136 Q141 I142E136-P138 WeakPolarHBondContact O-CD 3.48Å; P138-Q141 PolarHBondContact O-N 3.28Å; P138-I142 WeakPolarHBondContact O-CD1 3.42Å; P138-I142 VanDerWaalsContact O-CG1 3.22Å; P138-I142 WeakPolarHBondContact O-CG1 3.3Å; P138-I142 PolarHBondContact O-N 2.94Å
139L84Confident81.3Confident120 Ų12090.3 Ų90.363%0.62843%0.433SS*.Hα-helixtrans-71.6-46.1177.1-65.1175.7000111.3D137 Q141 I142 R143D137-L139 PolarHBondContact O-N 3.02Å; D137-L139 WeakPolarHBondContact OD1-CB 3.32Å; D137-L139 PolarHBondContact OD1-N 3.33Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 2.94Å; L139-I142 PolarHBondContact O-N 3.46Å; L139-R143 PolarHBondContact O-N 3.24Å
140F82.3Confident82.4Confident52 Ų5293 Ų9323%0.22844%0.441CS..Hα-helixtrans-55.5-45.3170.1-174.1-108.5000111.7Y56 I134 D137 I142 R143 K144Y56-F140 AromaticContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CD2 4Å; Y56-F140 HydrophobicContact CD1-CE2 4.4Å; Y56-F140 HydrophobicContact CE1-CB 4.08Å; Y56-F140 AromaticContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CD2 3.58Å; Y56-F140 HydrophobicContact CE1-CE2 4.41Å; Y56-F140 HydrophobicContact CE1-CG 4.17Å; Y56-F140 HydrophobicContact CE2-CD2 4.21Å; Y56-F140 HydrophobicContact CG-CD2 4.46Å; Y56-F140 AromaticContact CZ-CD2 3.7Å; Y56-F140 PolarHBondContact OH-N 2.98Å; I134-F140 HydrophobicContact CG2-CD1 4.5Å; I134-F140 HydrophobicContact CG2-CD2 4.36Å; I134-F140 HydrophobicContact CG2-CE2 4.44Å; I134-F140 HydrophobicContact CG2-CG 4.38Å; I134-F140 WeakPolarHBondContact O-CB 3.32Å; I134-F140 WeakPolarHBondContact O-CD1 3.44Å; I134-F140 VanDerWaalsContact O-CG 3.31Å; I134-F140 WeakPolarHBondContact O-CG 3.48Å; D137-F140 HydrophobicContact CB-CB 3.91Å; D137-F140 PolarHBondContact O-N 3.39Å; D137-F140 WeakPolarHBondContact OD2-CB 3.33Å; D137-F140 PolarHBondContact OD2-N 3.31Å; F140-I142 PolarHBondContact O-N 2.84Å; F140-R143 PolarHBondContact O-N 2.97Å; F140-K144 HydrophobicContact CE1-CD 4.37Å; F140-K144 VanDerWaalsContact O-CB 3.24Å; F140-K144 WeakPolarHBondContact O-CB 3.14Å; F140-K144 PolarHBondContact O-N 2.88Å
141Q85.8Confident83.5Confident55 Ų5598.4 Ų98.426%0.25746%0.457SS..Hα-helixtrans-62.3-39.5176.8-68.7-172.910.300113E136 D137 P138 L139 R145E136-Q141 PolarHBondContact OE2-NE2 3.06Å; E136-Q141 VanDerWaalsContact OE2-NE2 3.13Å; D137-Q141 WeakPolarHBondContact O-CG 3.45Å; D137-Q141 PolarHBondContact O-N 2.91Å; P138-Q141 PolarHBondContact O-N 3.28Å; L139-Q141 VanDerWaalsContact C-N 3.31Å; L139-Q141 PolarHBondContact O-N 2.94Å; Q141-R145 VanDerWaalsContact C-NH1 3.33Å; Q141-R145 WeakPolarHBondContact O-CG 3.47Å; Q141-R145 PolarHBondContact O-N 3.42Å; Q141-R145 PolarHBondContact O-NH1 3.1Å
142I87.6Confident84.8Confident89 Ų89100.1 Ų100.146%0.45646%0.456SS..Hα-helixtrans-64.2-50.5175.6-71.2162.4000110.1P138 L139 F140 K144 R145 E146P138-I142 WeakPolarHBondContact O-CD1 3.42Å; P138-I142 VanDerWaalsContact O-CG1 3.22Å; P138-I142 WeakPolarHBondContact O-CG1 3.3Å; P138-I142 PolarHBondContact O-N 2.94Å; L139-I142 PolarHBondContact O-N 3.46Å; F140-I142 PolarHBondContact O-N 2.84Å; I142-K144 VanDerWaalsContact C-N 3.32Å; I142-K144 PolarHBondContact O-N 3.29Å; I142-R145 PolarHBondContact O-N 2.88Å; I142-E146 PolarHBondContact O-N 3.38Å
143R83.9Confident85.2Confident134 Ų134100.3 Ų100.351%0.50645%0.453SS..Hα-helixtrans-60.9-39.3179.1-171.4170.4175.9173-6111.9E59 L139 F140 E146 E147E59-R143 IonicContact OE2-CZ 3.91Å; E59-R143 IonicContact OE2-NH1 2.92Å; E59-R143 PolarHBondContact OE2-NH1 2.89Å; E59-R143 IonicContact OE2-NH2 3.53Å; E59-R143 PolarHBondContact OE2-NH2 3.43Å; L139-R143 PolarHBondContact O-N 3.24Å; F140-R143 PolarHBondContact O-N 2.97Å; R143-E146 WeakPolarHBondContact O-CB 3.27Å; R143-E146 PolarHBondContact O-N 3.4Å; R143-E147 PolarHBondContact O-N 3.43Å
144K88.5Confident85.4Confident123 Ų12399.8 Ų99.854%0.53546%0.456SS..Hα-helixtrans-63-46.3174.4-173.7176.1179.2-179.20112.2F140 I142 E146 E147 E148F140-K144 HydrophobicContact CE1-CD 4.37Å; F140-K144 VanDerWaalsContact O-CB 3.24Å; F140-K144 WeakPolarHBondContact O-CB 3.14Å; F140-K144 PolarHBondContact O-N 2.88Å; I142-K144 VanDerWaalsContact C-N 3.32Å; I142-K144 PolarHBondContact O-N 3.29Å; K144-E146 VanDerWaalsContact C-N 3.31Å; K144-E146 PolarHBondContact O-N 3.03Å; K144-E147 PolarHBondContact O-N 3.47Å; K144-E148 VanDerWaalsContact O-CB 3.32Å; K144-E148 WeakPolarHBondContact O-CB 3.23Å; K144-E148 PolarHBondContact O-N 2.91Å
145R88.8Confident86.1Confident120 Ų120104.1 Ų104.145%0.45348%0.483SS..Hα-helixtrans-63.5-35174.6-71-179-154.297.8-1.6112.3Q141 I142 K149Q141-R145 VanDerWaalsContact C-NH1 3.33Å; Q141-R145 WeakPolarHBondContact O-CG 3.47Å; Q141-R145 PolarHBondContact O-N 3.42Å; Q141-R145 PolarHBondContact O-NH1 3.1Å; I142-R145 PolarHBondContact O-N 2.88Å; R145-K149 WeakPolarHBondContact O-CB 3.26Å; R145-K149 WeakPolarHBondContact O-CG 2.93Å; R145-K149 PolarHBondContact O-N 3.09Å
146E87.7Confident86.6Confident99 Ų9999.7 Ų99.746%0.46347%0.47SS..Hα-helixtrans-65.2-45.6173.4-77.3-166.9-164.500112.5I142 R143 K144 K149 K150I142-E146 PolarHBondContact O-N 3.38Å; R143-E146 WeakPolarHBondContact O-CB 3.27Å; R143-E146 PolarHBondContact O-N 3.4Å; K144-E146 VanDerWaalsContact C-N 3.31Å; K144-E146 PolarHBondContact O-N 3.03Å; E146-K149 PolarHBondContact O-N 2.86Å; E146-K150 WeakPolarHBondContact O-CB 3.48Å; E146-K150 WeakPolarHBondContact O-CD 3.43Å; E146-K150 VanDerWaalsContact O-CG 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.37Å; E146-K150 PolarHBondContact O-N 3.09Å; E146-K150 IonicContact OE2-NZ 3.36Å; E146-K150 PolarHBondContact OE2-NZ 3.11Å
147E84.7Confident86.9Confident113 Ų11399.2 Ų99.253%0.52848%0.475SS..Hα-helixtrans-67.1-39.9178.7-176.5166.9-165.600111.8R143 K144 K150 R151R143-E147 PolarHBondContact O-N 3.43Å; K144-E147 PolarHBondContact O-N 3.47Å; E147-K150 CarbonylContact O-C 3.59Å; E147-K150 WeakPolarHBondContact O-CB 3.23Å; E147-K150 PolarHBondContact O-N 3.12Å; E147-R151 PolarHBondContact O-N 2.67Å
148E90.2Very high87.1Confident128 Ų128102.6 Ų102.660%0.59850%0.497SS*.Hα-helixtrans-60.2-46.1173.2-175.5169.3-147.700111.4K144 K150 R151 E152K144-E148 VanDerWaalsContact O-CB 3.32Å; K144-E148 WeakPolarHBondContact O-CB 3.23Å; K144-E148 PolarHBondContact O-N 2.91Å; E148-K150 PolarHBondContact O-N 2.79Å; E148-R151 CarbonylContact O-C 3.59Å; E148-R151 WeakPolarHBondContact O-CB 3.29Å; E148-R151 PolarHBondContact O-N 2.89Å; E148-E152 WeakPolarHBondContact O-CB 3.36Å; E148-E152 PolarHBondContact O-N 3.49Å
149K91.1Very high87Confident141 Ų141102.4 Ų102.461%0.61349%0.488SS*.Hα-helixtrans-63.1-38.8172.8-76.1178178.3-179.70112.7R145 E146 R151 E152 V153R145-K149 WeakPolarHBondContact O-CB 3.26Å; R145-K149 WeakPolarHBondContact O-CG 2.93Å; R145-K149 PolarHBondContact O-N 3.09Å; E146-K149 PolarHBondContact O-N 2.86Å; K149-R151 VanDerWaalsContact C-N 3.35Å; K149-E152 PolarHBondContact O-N 3.43Å; K149-V153 WeakPolarHBondContact O-CB 3.44Å; K149-V153 WeakPolarHBondContact O-CG2 3.27Å; K149-V153 PolarHBondContact O-N 3.39Å
150K86.4Confident87Confident128 Ų12898.1 Ų98.156%0.55747%0.465SS*.Hα-helixtrans-62.5-41.5173.5-74.3161.1-172.7152.20110.9E146 E147 E148 L154E146-K150 WeakPolarHBondContact O-CB 3.48Å; E146-K150 WeakPolarHBondContact O-CD 3.43Å; E146-K150 VanDerWaalsContact O-CG 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.37Å; E146-K150 PolarHBondContact O-N 3.09Å; E146-K150 IonicContact OE2-NZ 3.36Å; E146-K150 PolarHBondContact OE2-NZ 3.11Å; E147-K150 CarbonylContact O-C 3.59Å; E147-K150 WeakPolarHBondContact O-CB 3.23Å; E147-K150 PolarHBondContact O-N 3.12Å; E148-K150 PolarHBondContact O-N 2.79Å; K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 2.92Å; K150-L154 VanDerWaalsContact O-N 3.09Å
151R87.6Confident87.2Confident167 Ų167103 Ų10363%0.6349%0.486SS*.Hα-helixtrans-64.3-46.5172.7-85-169.1174.9-168.71.9111.9E147 E148 K149 V153 L154 T155E147-R151 PolarHBondContact O-N 2.67Å; E148-R151 CarbonylContact O-C 3.59Å; E148-R151 WeakPolarHBondContact O-CB 3.29Å; E148-R151 PolarHBondContact O-N 2.89Å; K149-R151 VanDerWaalsContact C-N 3.35Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.88Å; R151-L154 CarbonylContact O-C 3.58Å; R151-L154 WeakPolarHBondContact O-CA 3.42Å; R151-L154 WeakPolarHBondContact O-CB 3.23Å; R151-L154 PolarHBondContact O-N 2.69Å; R151-T155 WeakPolarHBondContact O-CG2 3.42Å; R151-T155 PolarHBondContact O-N 2.93Å; R151-T155 PolarHBondContact O-OG1 3.34Å
152E90.8Very high87.3Confident91 Ų91107 Ų10743%0.42550%0.502SS..Hα-helixtrans-60-39.6178.3-168.2-120.5120.100111.8E148 K149 L154 T155 N156 K159E148-E152 WeakPolarHBondContact O-CB 3.36Å; E148-E152 PolarHBondContact O-N 3.49Å; K149-E152 PolarHBondContact O-N 3.43Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.2Å; E152-T155 WeakPolarHBondContact CA-OG1 3.24Å; E152-T155 PolarHBondContact O-OG1 2.94Å; E152-N156 WeakPolarHBondContact O-CB 3.48Å; E152-N156 PolarHBondContact O-N 3.23Å; E152-K159 IonicContact OE1-NZ 2.62Å; E152-K159 PolarHBondContact OE1-NZ 3.39Å; E152-K159 IonicContact OE2-NZ 3.71Å
153V85.7Confident87.3Confident45 Ų45106 Ų10627%0.27350%0.497SS..Hα-helixtrans-66-30.8172.41710000112.5K149 R151 K159 M160 I163K149-V153 WeakPolarHBondContact O-CB 3.44Å; K149-V153 WeakPolarHBondContact O-CG2 3.27Å; K149-V153 PolarHBondContact O-N 3.39Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.88Å; V153-K159 HydrophobicContact CB-CD 4.47Å; V153-K159 HydrophobicContact CG1-CB 4.31Å; V153-K159 HydrophobicContact CG2-CD 4.08Å; V153-M160 HydrophobicContact CG1-CE 4.06Å; V153-M160 WeakPolarHBondContact O-CE 3.48Å; V153-I163 HydrophobicContact CG1-CD1 3.43Å; V153-I163 VanDerWaalsContact CG1-CD1 3.43Å
154L82Confident87.3Confident111 Ų111106 Ų10658%0.58150%0.501SS*.Hα-helixtrans-83.5-37179.1-179.660.3000113.6K150 R151 E152 M160K150-L154 WeakPolarHBondContact O-CB 3.45Å; K150-L154 PolarHBondContact O-N 2.92Å; K150-L154 VanDerWaalsContact O-N 3.09Å; R151-L154 CarbonylContact O-C 3.58Å; R151-L154 WeakPolarHBondContact O-CA 3.42Å; R151-L154 WeakPolarHBondContact O-CB 3.23Å; R151-L154 PolarHBondContact O-N 2.69Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.2Å; L154-M160 HydrophobicContact CB-CE 4.38Å; L154-M160 HydrophobicContact CD1-CE 4.04Å; L154-M160 HydrophobicContact CD1-CG 3.96Å; L154-M160 HydrophobicContact CD1-SD 3.51Å; L154-M160 VanDerWaalsContact CD1-SD 3.51Å; L154-M160 WeakPolarHBondContact O-CG 3.45Å
155T87.8Confident87.4Confident109 Ų109105.1 Ų105.167%0.66950%0.499SS*.Hα-helixtrans-75.6-32.4175.556.30000111.2R151 E152 P157R151-T155 WeakPolarHBondContact O-CG2 3.42Å; R151-T155 PolarHBondContact O-N 2.93Å; R151-T155 PolarHBondContact O-OG1 3.34Å; E152-T155 WeakPolarHBondContact CA-OG1 3.24Å; E152-T155 PolarHBondContact O-OG1 2.94Å; T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.41Å
156N89.9Confident87.4Confident48 Ų48103.9 Ų103.926%0.25750%0.499SS..  trans-67.7111.6175-175.6-49.1000111E152 V158 K159 M160E152-N156 WeakPolarHBondContact O-CB 3.48Å; E152-N156 PolarHBondContact O-N 3.23Å; N156-V158 VanDerWaalsContact C-N 3.27Å; N156-V158 PolarHBondContact O-N 3.34Å; N156-V158 WeakPolarHBondContact OD1-CB 3.45Å; N156-V158 PolarHBondContact OD1-N 2.82Å; N156-K159 HydrophobicContact CB-CB 4.11Å; N156-K159 HydrophobicContact CB-CD 4Å; N156-K159 HydrophobicContact CB-CG 4.13Å; N156-K159 PolarHBondContact O-N 2.85Å; N156-K159 PolarHBondContact OD1-N 3.39Å; N156-M160 WeakPolarHBondContact O-CB 3.27Å; N156-M160 PolarHBondContact O-N 3.42Å
157P87.1Confident87.4Confident88 Ų88104.5 Ų104.557%0.57151%0.505SS*.Hα-helixtrans-70.3-23.4-172.729-35.3000113T155 K161T155-P157 VanDerWaalsContact O-CD 3.23Å; T155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-K161 WeakPolarHBondContact O-CB 3.47Å; P157-K161 VanDerWaalsContact O-CG 3.25Å; P157-K161 WeakPolarHBondContact O-CG 3.27Å; P157-K161 PolarHBondContact O-N 2.88Å
158V90.7Very high87.4Confident109 Ų109107.6 Ų107.666%0.66151%0.512SS*.Hα-helixtrans-76.8-48.5178.9-177.60000110N156 M160 K161 K162N156-V158 VanDerWaalsContact C-N 3.27Å; N156-V158 PolarHBondContact O-N 3.34Å; N156-V158 WeakPolarHBondContact OD1-CB 3.45Å; N156-V158 PolarHBondContact OD1-N 2.82Å; V158-M160 VanDerWaalsContact C-N 3.3Å; V158-M160 PolarHBondContact O-N 2.93Å; V158-K161 PolarHBondContact O-N 2.99Å; V158-K162 PolarHBondContact O-N 2.96Å
159K84Confident87.3Confident81 Ų81105.7 Ų105.735%0.35250%0.503SS..Hα-helixtrans-58.8-43.1173.7-65.9179.9-177.61770110.5E152 V153 N156 K162 I163E152-K159 IonicContact OE1-NZ 2.62Å; E152-K159 PolarHBondContact OE1-NZ 3.39Å; E152-K159 IonicContact OE2-NZ 3.71Å; V153-K159 HydrophobicContact CB-CD 4.47Å; V153-K159 HydrophobicContact CG1-CB 4.31Å; V153-K159 HydrophobicContact CG2-CD 4.08Å; N156-K159 HydrophobicContact CB-CB 4.11Å; N156-K159 HydrophobicContact CB-CD 4Å; N156-K159 HydrophobicContact CB-CG 4.13Å; N156-K159 PolarHBondContact O-N 2.85Å; N156-K159 PolarHBondContact OD1-N 3.39Å; K159-K162 PolarHBondContact O-N 3.11Å; K159-I163 WeakPolarHBondContact O-CG1 3.5Å; K159-I163 PolarHBondContact O-N 3.49Å
160M85.2Confident87.1Confident30 Ų30103.6 Ų103.615%0.14850%0.499CS..Hα-helixtrans-64.2-40.6174.8-92-57.7109.500114.8V153 L154 N156 V158 K162 I163 K164V153-M160 HydrophobicContact CG1-CE 4.06Å; V153-M160 WeakPolarHBondContact O-CE 3.48Å; L154-M160 HydrophobicContact CB-CE 4.38Å; L154-M160 HydrophobicContact CD1-CE 4.04Å; L154-M160 HydrophobicContact CD1-CG 3.96Å; L154-M160 HydrophobicContact CD1-SD 3.51Å; L154-M160 VanDerWaalsContact CD1-SD 3.51Å; L154-M160 WeakPolarHBondContact O-CG 3.45Å; N156-M160 WeakPolarHBondContact O-CB 3.27Å; N156-M160 PolarHBondContact O-N 3.42Å; V158-M160 VanDerWaalsContact C-N 3.3Å; V158-M160 PolarHBondContact O-N 2.93Å; M160-K162 VanDerWaalsContact C-N 3.35Å; M160-I163 HydrophobicContact CE-CB 4.24Å; M160-I163 HydrophobicContact CE-CD1 3.56Å; M160-I163 HydrophobicContact CE-CG1 4.49Å; M160-I163 HydrophobicContact CE-CG2 4.3Å; M160-I163 PolarHBondContact O-N 3.43Å; M160-K164 WeakPolarHBondContact O-CB 3.02Å; M160-K164 VanDerWaalsContact O-CG 3.28Å; M160-K164 WeakPolarHBondContact O-CG 3.19Å; M160-K164 PolarHBondContact O-N 3.43Å
161K85.8Confident87.1Confident154 Ų154101.7 Ų101.767%0.6749%0.494SS*.Hα-helixtrans-60-46.3174-81.3173.4179.8-177.70110.8P157 V158 I163 K164 E165P157-K161 WeakPolarHBondContact O-CB 3.47Å; P157-K161 VanDerWaalsContact O-CG 3.25Å; P157-K161 WeakPolarHBondContact O-CG 3.27Å; P157-K161 PolarHBondContact O-N 2.88Å; V158-K161 PolarHBondContact O-N 2.99Å; K161-I163 PolarHBondContact O-N 3.1Å; K161-K164 PolarHBondContact O-N 2.8Å; K161-E165 WeakPolarHBondContact O-CB 3.4Å; K161-E165 PolarHBondContact O-N 2.9Å
162K88Confident87Confident138 Ų13898.8 Ų98.860%0.649%0.491SS*.Hα-helixtrans-64-39178.9-168.9144.7-176166.10113V158 K159 M160 E165 M166V158-K162 PolarHBondContact O-N 2.96Å; K159-K162 PolarHBondContact O-N 3.11Å; M160-K162 VanDerWaalsContact C-N 3.35Å; K162-E165 PolarHBondContact O-N 3.16Å; K162-M166 WeakPolarHBondContact O-CG 3.49Å; K162-M166 PolarHBondContact O-N 3.07Å
163I86.8Confident86.9Confident70 Ų70100.8 Ų100.836%0.35950%0.498SS..Hα-helixtrans-65.9-44.3174.3-72.6164.8000111.4V153 K159 M160 K161 E165 M166 L167V153-I163 HydrophobicContact CG1-CD1 3.43Å; V153-I163 VanDerWaalsContact CG1-CD1 3.43Å; K159-I163 WeakPolarHBondContact O-CG1 3.5Å; K159-I163 PolarHBondContact O-N 3.49Å; M160-I163 HydrophobicContact CE-CB 4.24Å; M160-I163 HydrophobicContact CE-CD1 3.56Å; M160-I163 HydrophobicContact CE-CG1 4.49Å; M160-I163 HydrophobicContact CE-CG2 4.3Å; M160-I163 PolarHBondContact O-N 3.43Å; K161-I163 PolarHBondContact O-N 3.1Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.93Å; I163-M166 HydrophobicContact CG1-CE 4.12Å; I163-M166 PolarHBondContact O-N 2.84Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 2.79Å
164K85.3Confident87.1Confident133 Ų133105.7 Ų105.758%0.57852%0.516SS*.Hα-helixtrans-62-37.2175.2-73.2171.5-178.5178.10112.4M160 K161 L167 R168M160-K164 WeakPolarHBondContact O-CB 3.02Å; M160-K164 VanDerWaalsContact O-CG 3.28Å; M160-K164 WeakPolarHBondContact O-CG 3.19Å; M160-K164 PolarHBondContact O-N 3.43Å; K161-K164 PolarHBondContact O-N 2.8Å; K164-L167 PolarHBondContact O-N 2.8Å; K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 2.99Å
165E89.7Confident87.3Confident105 Ų105104.7 Ų104.749%0.49151%0.511SS..Hα-helixtrans-66.2-50.5175.9-169.2-170.9166.200111.8K161 K162 I163 L167 R168 Q169K161-E165 WeakPolarHBondContact O-CB 3.4Å; K161-E165 PolarHBondContact O-N 2.9Å; K162-E165 PolarHBondContact O-N 3.16Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.93Å; E165-L167 PolarHBondContact O-N 2.96Å; E165-R168 WeakPolarHBondContact O-CB 3.44Å; E165-R168 PolarHBondContact O-N 3.43Å; E165-R168 VanDerWaalsContact O-N 3.15Å; E165-Q169 WeakPolarHBondContact O-CG 3.42Å; E165-Q169 PolarHBondContact O-N 2.91Å; E165-Q169 PolarHBondContact OE1-NE2 3.18Å
166M88.6Confident87.4Confident93 Ų93107.6 Ų107.646%0.45851%0.514SS..Hα-helixtrans-58.5-36.2175.4-71.2-171.8-59.700112.2K162 I163 N170K162-M166 WeakPolarHBondContact O-CG 3.49Å; K162-M166 PolarHBondContact O-N 3.07Å; I163-M166 HydrophobicContact CG1-CE 4.12Å; I163-M166 PolarHBondContact O-N 2.84Å; M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 3.34Å
167L88.5Confident87.4Confident112 Ų112113.3 Ų113.359%0.58654%0.537SS*.Hα-helixtrans-67.5-43.5176.7-163.271.3000111.7I163 K164 E165 N170 L171I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 2.79Å; K164-L167 PolarHBondContact O-N 2.8Å; E165-L167 PolarHBondContact O-N 2.96Å; L167-N170 PolarHBondContact O-N 3.05Å; L167-L171 WeakPolarHBondContact O-CG 3.25Å; L167-L171 PolarHBondContact O-N 3.36Å
168R85.4Confident87.5Confident178 Ų178116.4 Ų116.467%0.67254%0.541SS*.Hα-helixtrans-57.9-51.5173.3-77.5175.3173.4-90.81.9111.6K164 E165 N170 L171 D172K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 2.99Å; E165-R168 WeakPolarHBondContact O-CB 3.44Å; E165-R168 PolarHBondContact O-N 3.43Å; E165-R168 VanDerWaalsContact O-N 3.15Å; R168-N170 PolarHBondContact O-N 3.3Å; R168-N170 VanDerWaalsContact O-N 3.15Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.8Å; R168-D172 VanDerWaalsContact O-CG 3.31Å; R168-D172 PolarHBondContact O-N 3.21Å
169Q87.9Confident87.5Confident88 Ų88118.8 Ų118.841%0.41154%0.543SS..Hα-helixtrans-57.4-33.4178.9-67-178.315.400113E165 K173E165-Q169 WeakPolarHBondContact O-CG 3.42Å; E165-Q169 PolarHBondContact O-N 2.91Å; E165-Q169 PolarHBondContact OE1-NE2 3.18Å; Q169-K173 WeakPolarHBondContact O-CB 2.95Å; Q169-K173 WeakPolarHBondContact O-CD 3.5Å; Q169-K173 WeakPolarHBondContact O-CG 3.4Å; Q169-K173 PolarHBondContact O-N 3.14Å; Q169-K173 VanDerWaalsContact O-N 3.14Å
170N87.3Confident87.8Confident98 Ų98124.4 Ų124.452%0.52456%0.562SS.*Hα-helixtrans-74.6-36.9175.7-82.2-66.7000113.1M166 L167 R168 K174M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 3.34Å; L167-N170 PolarHBondContact O-N 3.05Å; R168-N170 PolarHBondContact O-N 3.3Å; R168-N170 VanDerWaalsContact O-N 3.15Å; N170-K174 WeakPolarHBondContact O-CB 3.31Å; N170-K174 PolarHBondContact O-N 3.05Å
171L86.2Confident88.1Confident88 Ų88131 Ų13146%0.46159%0.59SS.*Hα-helixtrans-64.7-46.5172.3-69.2169.1000111L167 R168 K173 K174 D175L167-L171 WeakPolarHBondContact O-CG 3.25Å; L167-L171 PolarHBondContact O-N 3.36Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 2.8Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.36Å; L171-K174 CarbonylContact O-C 3.57Å; L171-K174 WeakPolarHBondContact O-CA 3.38Å; L171-K174 WeakPolarHBondContact O-CB 3.47Å; L171-K174 PolarHBondContact O-N 2.92Å; L171-D175 PolarHBondContact O-N 2.97Å
172D85.3Confident88.3Confident105 Ų105130.8 Ų130.856%0.56159%0.589SS**Hα-helixtrans-59.1-41.5177.3-63.6-35000111.8R168 D175 K176R168-D172 VanDerWaalsContact O-CG 3.31Å; R168-D172 PolarHBondContact O-N 3.21Å; D172-D175 PolarHBondContact O-N 2.7Å; D172-K176 VanDerWaalsContact O-CB 3.22Å; D172-K176 WeakPolarHBondContact O-CB 3.15Å; D172-K176 PolarHBondContact O-N 2.72Å
173K88.9Confident88.3Confident133 Ų133128.4 Ų128.458%0.57858%0.58SS**Hα-helixtrans-61.9-42.2172.5-74.8167.4-173.3173.30111.9Q169 L171 K177Q169-K173 WeakPolarHBondContact O-CB 2.95Å; Q169-K173 WeakPolarHBondContact O-CD 3.5Å; Q169-K173 WeakPolarHBondContact O-CG 3.4Å; Q169-K173 PolarHBondContact O-N 3.14Å; Q169-K173 VanDerWaalsContact O-N 3.14Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.36Å; K173-K177 WeakPolarHBondContact O-CB 3.47Å; K173-K177 PolarHBondContact O-N 2.88Å
174K88.1Confident88.6Confident149 Ų149131.7 Ų131.765%0.64859%0.591SS**Hα-helixtrans-66-42.9178.6-171.2178.4-178.3179.30111.6N170 L171 K177 K178N170-K174 WeakPolarHBondContact O-CB 3.31Å; N170-K174 PolarHBondContact O-N 3.05Å; L171-K174 CarbonylContact O-C 3.57Å; L171-K174 WeakPolarHBondContact O-CA 3.38Å; L171-K174 WeakPolarHBondContact O-CB 3.47Å; L171-K174 PolarHBondContact O-N 2.92Å; K174-K177 WeakPolarHBondContact O-CB 3.35Å; K174-K177 PolarHBondContact O-N 3.01Å; K174-K178 WeakPolarHBondContact O-CB 3.25Å; K174-K178 PolarHBondContact O-N 2.95Å
175D86.5Confident88.7Confident89 Ų89133.4 Ų133.448%0.47660%0.599SS.*Hα-helixtrans-74-36.7179.4-74.6-30.9000112.4L171 D172 K177 K178 K179L171-D175 PolarHBondContact O-N 2.97Å; D172-D175 PolarHBondContact O-N 2.7Å; D175-K177 VanDerWaalsContact C-N 3.31Å; D175-K177 PolarHBondContact O-N 3.12Å; D175-K178 PolarHBondContact O-N 3.39Å; D175-K179 WeakPolarHBondContact O-CB 3.27Å; D175-K179 PolarHBondContact O-N 2.94Å
176K90Very high88.6Confident170 Ų170133.8 Ų133.874%0.73960%0.601SS**Hα-helixtrans-60.7-39.6169.5-163.4167.6-173.9172.60111.4D172 R180D172-K176 VanDerWaalsContact O-CB 3.22Å; D172-K176 WeakPolarHBondContact O-CB 3.15Å; D172-K176 PolarHBondContact O-N 2.72Å; K176-R180 WeakPolarHBondContact O-CB 3.38Å; K176-R180 PolarHBondContact O-N 2.67Å
177K90.4Very high88.5Confident168 Ų168135.8 Ų135.873%0.7361%0.607SS**Hα-helixtrans-65.5-41.2172.6-171.4174.7-177.4175.50112.1K173 K174 D175 K181K173-K177 WeakPolarHBondContact O-CB 3.47Å; K173-K177 PolarHBondContact O-N 2.88Å; K174-K177 WeakPolarHBondContact O-CB 3.35Å; K174-K177 PolarHBondContact O-N 3.01Å; D175-K177 VanDerWaalsContact C-N 3.31Å; D175-K177 PolarHBondContact O-N 3.12Å; K177-K181 PolarHBondContact O-N 2.65Å
178K89.1Confident88.3Confident153 Ų153138.9 Ų138.967%0.66561%0.611SS**Hα-helixtrans-65.8-45.1176.7-169.5178.8178.2-174.50111.9K174 D175 K181 K182K174-K178 WeakPolarHBondContact O-CB 3.25Å; K174-K178 PolarHBondContact O-N 2.95Å; D175-K178 PolarHBondContact O-N 3.39Å; K178-K181 PolarHBondContact O-N 3.45Å; K178-K182 PolarHBondContact O-N 2.79Å
179K89.9Confident88.2Confident160 Ų160131.6 Ų131.670%0.69659%0.591SS**Hα-helixtrans-59.3-49.8175.3-171.8173.2-179.1176.60111.2D175 K181 K182 E183D175-K179 WeakPolarHBondContact O-CB 3.27Å; D175-K179 PolarHBondContact O-N 2.94Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.89Å; K179-K182 PolarHBondContact O-N 3.07Å; K179-K182 VanDerWaalsContact O-N 3.1Å; K179-E183 PolarHBondContact O-N 2.89Å
180R91.3Very high87.9Confident199 Ų199131.8 Ų131.875%0.75160%0.595SS**Hα-helixtrans-60.6-33.8176.1-167.7176.5-179.9-167.90.1112.8K176 K184K176-R180 WeakPolarHBondContact O-CB 3.38Å; K176-R180 PolarHBondContact O-N 2.67Å; R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 PolarHBondContact O-N 2.99Å; R180-K184 VanDerWaalsContact O-N 3.16Å
181K90.8Very high87.7Confident168 Ų168134.4 Ų134.473%0.7360%0.602SS**Hα-helixtrans-70.7-39.5173.5-172.3175.2-178.3-178.80112.3K177 K178 K179 K185K177-K181 PolarHBondContact O-N 2.65Å; K178-K181 PolarHBondContact O-N 3.45Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.89Å; K181-K185 PolarHBondContact O-N 2.9Å; K181-K185 VanDerWaalsContact O-N 3.15Å
182K90Very high87.3Confident150 Ų150136.8 Ų136.865%0.65261%0.611SS**Hα-helixtrans-62.1-52.6175.3-174-178.4175.1-173.70110.8K178 K179 K184 K185 E186K178-K182 PolarHBondContact O-N 2.79Å; K179-K182 PolarHBondContact O-N 3.07Å; K179-K182 VanDerWaalsContact O-N 3.1Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.39Å; K182-K185 WeakPolarHBondContact O-CA 3.33Å; K182-K185 WeakPolarHBondContact O-CB 3.39Å; K182-K185 PolarHBondContact O-N 3.19Å; K182-E186 PolarHBondContact O-N 3.2Å
183E89.4Confident86.9Confident88 Ų88139.7 Ų139.741%0.41161%0.614SS.*Hα-helixtrans-58.3-39.5179.5-166.1-162.1144.800112.3K179 K185 E186 K187K179-E183 PolarHBondContact O-N 2.89Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 3.12Å; E183-E186 PolarHBondContact O-N 3.48Å; E183-K187 HydrophobicContact CG-CD 4.43Å; E183-K187 WeakPolarHBondContact O-CB 3.38Å; E183-K187 WeakPolarHBondContact O-CG 3.1Å; E183-K187 PolarHBondContact O-N 2.89Å; E183-K187 WeakPolarHBondContact OE1-CE 3.45Å; E183-K187 IonicContact OE1-NZ 2.65Å; E183-K187 PolarHBondContact OE1-NZ 2.85Å
184K91.7Very high86.4Confident138 Ų138141.6 Ų141.660%0.662%0.622SS**Hα-helixtrans-67.5-29.5174.7-171173.2-177.9176.60113.1R180 K182 R188R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 PolarHBondContact O-N 2.99Å; R180-K184 VanDerWaalsContact O-N 3.16Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.39Å; K184-R188 WeakPolarHBondContact O-CG 3.44Å; K184-R188 PolarHBondContact O-N 2.99Å
185K88.8Confident85.7Confident169 Ų169140.8 Ų140.874%0.73562%0.618SS**Hα-helixtrans-73.8-42.9174.1-168.4-176.2178.5-174.80110.7K181 K182 E183 R188 G189K181-K185 PolarHBondContact O-N 2.9Å; K181-K185 VanDerWaalsContact O-N 3.15Å; K182-K185 WeakPolarHBondContact O-CA 3.33Å; K182-K185 WeakPolarHBondContact O-CB 3.39Å; K182-K185 PolarHBondContact O-N 3.19Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 3.12Å; K185-R188 WeakPolarHBondContact O-CB 3.4Å; K185-R188 PolarHBondContact O-N 2.87Å; K185-G189 PolarHBondContact O-N 3.43Å
186E86.4Confident84.9Confident113 Ų113141.3 Ų141.353%0.52862%0.618SS.*Hα-helixtrans-61.5-51.8178.7-164.9158.6-151.100111.4K182 E183 R188 G189 D190K182-E186 PolarHBondContact O-N 3.2Å; E183-E186 PolarHBondContact O-N 3.48Å; E186-R188 PolarHBondContact O-N 2.88Å; E186-R188 VanDerWaalsContact O-N 3.14Å; E186-G189 PolarHBondContact O-N 3.31Å; E186-D190 PolarHBondContact O-N 2.98Å
187K87.5Confident84Confident136 Ų136140.8 Ų140.859%0.59162%0.616SS**Hα-helixtrans-59.1-25.8173.3-73.6176.1174.2171.90114.1E183 K191E183-K187 HydrophobicContact CG-CD 4.43Å; E183-K187 WeakPolarHBondContact O-CB 3.38Å; E183-K187 WeakPolarHBondContact O-CG 3.1Å; E183-K187 PolarHBondContact O-N 2.89Å; E183-K187 WeakPolarHBondContact OE1-CE 3.45Å; E183-K187 IonicContact OE1-NZ 2.65Å; E183-K187 PolarHBondContact OE1-NZ 2.85Å; K187-K191 PolarHBondContact O-N 3.47Å
188R83.6Confident82.9Confident176 Ų176140 Ų14066%0.66461%0.612SS**Hα-helixtrans-75.7-46.7172-83.5-177.5169.5-167.6-4.6111.5K184 K185 E186 D190 K191 E192K184-R188 WeakPolarHBondContact O-CG 3.44Å; K184-R188 PolarHBondContact O-N 2.99Å; K185-R188 WeakPolarHBondContact O-CB 3.4Å; K185-R188 PolarHBondContact O-N 2.87Å; E186-R188 PolarHBondContact O-N 2.88Å; E186-R188 VanDerWaalsContact O-N 3.14Å; R188-D190 PolarHBondContact O-N 3.22Å; R188-K191 PolarHBondContact O-N 3.27Å; R188-E192 PolarHBondContact O-N 3.18Å
189G83.4Confident81.5Confident25 Ų25138.7 Ų138.726%0.25861%0.608SS.*Hα-helixtrans-60.4-40178.300000113.3K185 E186 E192 R193K185-G189 PolarHBondContact O-N 3.43Å; E186-G189 PolarHBondContact O-N 3.31Å; G189-E192 WeakPolarHBondContact O-CB 3.44Å; G189-E192 PolarHBondContact O-N 2.93Å; G189-R193 WeakPolarHBondContact O-CG 3.35Å; G189-R193 PolarHBondContact O-N 3.29Å
190D82Confident80Confident93 Ų93137.2 Ų137.250%0.49760%0.602SS.*Hα-helixtrans-68.1-36.5175.2-77.5-22.5000112.8E186 R188 E192 K194E186-D190 PolarHBondContact O-N 2.98Å; R188-D190 PolarHBondContact O-N 3.22Å; D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 2.9Å; D190-K194 VanDerWaalsContact O-CB 3.29Å; D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 PolarHBondContact O-N 2.85Å
191K81.6Confident78.4Confident152 Ų152138.1 Ų138.166%0.66161%0.605SS**Hα-helixtrans-65.2-33.6174.6-167.5170.6-174.4173.70111.6K187 R188 K195K187-K191 PolarHBondContact O-N 3.47Å; R188-K191 PolarHBondContact O-N 3.27Å; K191-K195 WeakPolarHBondContact O-CG 3.28Å; K191-K195 PolarHBondContact O-N 3.17Å
192E77.7Confident76.6Confident139 Ų139139.6 Ų139.665%0.6561%0.606SS**Hα-helixtrans-72.6-50.3176.1-169.6161.6-140.200111.8R188 G189 D190 K194 K195 E196R188-E192 PolarHBondContact O-N 3.18Å; G189-E192 WeakPolarHBondContact O-CB 3.44Å; G189-E192 PolarHBondContact O-N 2.93Å; D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 2.9Å; E192-K194 VanDerWaalsContact C-N 3.25Å; E192-K194 PolarHBondContact O-N 2.69Å; E192-K195 WeakPolarHBondContact O-CA 3.5Å; E192-K195 WeakPolarHBondContact O-CB 3.43Å; E192-K195 PolarHBondContact O-N 2.6Å; E192-E196 PolarHBondContact O-N 3.39Å
193R78.4Confident74.7Confident166 Ų166137.7 Ų137.763%0.62661%0.607SS**Hα-helixtrans-55.4-38172-74.1171.8166.9-176.9-6.5112.8G189 E196 K197G189-R193 WeakPolarHBondContact O-CG 3.35Å; G189-R193 PolarHBondContact O-N 3.29Å; R193-E196 PolarHBondContact O-N 3.39Å; R193-K197 WeakPolarHBondContact O-CG 3.42Å; R193-K197 PolarHBondContact O-N 3.34Å
194K76.9Confident72.5Confident172 Ų172138.5 Ų138.575%0.74862%0.623SS**Hα-helixtrans-69.5-31.6176.2-167.9170.1-176.21740112.6D190 E192 K198D190-K194 VanDerWaalsContact O-CB 3.29Å; D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 PolarHBondContact O-N 2.85Å; E192-K194 VanDerWaalsContact C-N 3.25Å; E192-K194 PolarHBondContact O-N 2.69Å; K194-K198 PolarHBondContact O-N 2.8Å
195K74.4Confident70.2Confident133 Ų133137 Ų13758%0.57863%0.63SS**Hα-helixtrans-67.9-50169.5-74.7-179.8174-168.10110.9K191 E192 K197 K198 H199K191-K195 WeakPolarHBondContact O-CG 3.28Å; K191-K195 PolarHBondContact O-N 3.17Å; E192-K195 WeakPolarHBondContact O-CA 3.5Å; E192-K195 WeakPolarHBondContact O-CB 3.43Å; E192-K195 PolarHBondContact O-N 2.6Å; K195-K197 VanDerWaalsContact C-N 3.33Å; K195-K197 PolarHBondContact O-N 2.83Å; K195-K198 WeakPolarHBondContact O-CA 3.23Å; K195-K198 WeakPolarHBondContact O-CB 3.11Å; K195-K198 PolarHBondContact O-N 3.21Å; K195-H199 PolarHBondContact O-CD2 3.14Å; K195-H199 PolarHBondContact O-N 3.45Å; K195-H199 VanDerWaalsContact O-N 3.07Å
196E69.9Low67.9Low100 Ų100134.5 Ų134.547%0.46763%0.634SS.*Hα-helixtrans-56.6-45.4-178.3-162.6-156.314000111.9E192 R193 K198 H199 K200E192-E196 PolarHBondContact O-N 3.39Å; R193-E196 PolarHBondContact O-N 3.39Å; E196-K198 PolarHBondContact O-N 3.26Å; E196-H199 PolarHBondContact O-N 3.32Å; E196-H199 VanDerWaalsContact O-N 3.08Å; E196-K200 PolarHBondContact O-N 2.98Å; E196-K200 WeakPolarHBondContact OE1-CE 3.41Å; E196-K200 IonicContact OE1-NZ 2.69Å; E196-K200 PolarHBondContact OE1-NZ 2.91Å
197K71.6Confident65.5Low159 Ų159135 Ų13569%0.69165%0.65SS**Hα-helixtrans-60.2-29173.2-73.7-175.4176.5-173.10113.7R193 K195 R201R193-K197 WeakPolarHBondContact O-CG 3.42Å; R193-K197 PolarHBondContact O-N 3.34Å; K195-K197 VanDerWaalsContact C-N 3.33Å; K195-K197 PolarHBondContact O-N 2.83Å; K197-R201 PolarHBondContact O-N 2.89Å
198K66.1Low62.9Low151 Ų151134.1 Ų134.166%0.65766%0.66SS**Hα-helixtrans-76-31174.9-168.3175.4175.9176.70112.2K194 K195 E196K194-K198 PolarHBondContact O-N 2.8Å; K195-K198 WeakPolarHBondContact O-CA 3.23Å; K195-K198 WeakPolarHBondContact O-CB 3.11Å; K195-K198 PolarHBondContact O-N 3.21Å; E196-K198 PolarHBondContact O-N 3.26Å
199H59.7Low60.6Low125 Ų125134 Ų13458%0.57967%0.667SS**Hα-helixtrans-74-43.2173.7-72.1-80.3000112K195 E196 R201 R202K195-H199 PolarHBondContact O-CD2 3.14Å; K195-H199 PolarHBondContact O-N 3.45Å; K195-H199 VanDerWaalsContact O-N 3.07Å; E196-H199 PolarHBondContact O-N 3.32Å; E196-H199 VanDerWaalsContact O-N 3.08Å; H199-R201 VanDerWaalsContact C-N 3.26Å; H199-R201 PolarHBondContact O-N 3.41Å; H199-R202 WeakPolarHBondContact O-CB 3.48Å; H199-R202 PolarHBondContact O-N 2.88Å
200K58.8Low58.3Low129 Ų129141.9 Ų141.956%0.56170%0.697SS**Hα-helixtrans-60.8-29.3176.8-81.9173.4170.21620114.3E196 R202 T203E196-K200 PolarHBondContact O-N 2.98Å; E196-K200 WeakPolarHBondContact OE1-CE 3.41Å; E196-K200 IonicContact OE1-NZ 2.69Å; E196-K200 PolarHBondContact OE1-NZ 2.91Å; K200-R202 PolarHBondContact O-N 3.44Å; K200-T203 PolarHBondContact O-OG1 3.29Å
201R56.6Low56.1Low218 Ų218146.3 Ų146.382%0.82372%0.715SS**THydrogen-bonded Turntrans-74.3-6.4172.4-77.7-172.7173.3-170.5-3.3114.8K197 H199K197-R201 PolarHBondContact O-N 2.89Å; H199-R201 VanDerWaalsContact C-N 3.26Å; H199-R201 PolarHBondContact O-N 3.41Å
202R54.3Low54.1Low199 Ų199142 Ų14275%0.75171%0.714SS**THydrogen-bonded Turntrans-102.5-5.6176.5-81.9-176.6153.2-176.5-9.8113.7H199 K200H199-R202 WeakPolarHBondContact O-CB 3.48Å; H199-R202 PolarHBondContact O-N 2.88Å; K200-R202 PolarHBondContact O-N 3.44Å
203T49.1Very low52Low110 Ų110142 Ų14268%0.67572%0.718SS**SBendtrans-113.16.3-175.858.30000113.3K200 S205K200-T203 PolarHBondContact O-OG1 3.29Å; T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 3.2Å
204S44.7Very low50.3Low105 Ų105141.5 Ų141.573%0.73472%0.721SS**SBendtrans-92.731.9177.963.30000113.1
205S43.4Very low48.2Very low107 Ų107140.6 Ų140.675%0.74872%0.719SS**SBendtrans-142.152.717868.20000111.4T203T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 3.2Å
206S39.6Very low46.3Very low117 Ų117144.2 Ų144.282%0.81873%0.729SS**  trans-156.499.1159.2-167.40000107.5
207S35.6Very low44.7Very low124 Ų124143.5 Ų143.587%0.86774%0.735SS**  trans-103.3116.5176.1-172.90000107.6
208S33Very low43Very low116 Ų116144 Ų14481%0.81174%0.739SS**  trans-157.2150.2160.9-162.70000109.1
209E36.1Very low41.5Very low173 Ų173144 Ų14481%0.80875%0.746SS**  trans-96155-158.5-53176.4146.300112.2
210E35.2Very low40.4Very low191 Ų191148.5 Ų148.589%0.89376%0.758SS**  172155.3110.3-90.1-151.6133.400113.5
211E36.3Very low39.3Very low187 Ų187150.1 Ų150.187%0.87477%0.773SS**  trans-60.1170.5160.2-63.6-75.8160.500110.6
212G38Very low38.2Very low62 Ų62146.3 Ų146.364%0.63976%0.764SS**  cis159.7173.52.900000110.2
213D35.1Very low37.1Very low137 Ų137144.6 Ų144.673%0.73376%0.762SS**  trans84171.5164.4-131.4-18.4000121.8
214K41.6Very low36.5Very low156 Ų156147.5 Ų147.568%0.67877%0.766SS**  trans-112.5-178.1-140.7-66.4165.2-149.180.90116.1
215H33.3Very low36Very low154 Ų154149.6 Ų149.671%0.71377%0.769SS**  trans100.9158.6153.4-61.7-69.1000118
216R34.8Very low35.5Very low208 Ų208148.4 Ų148.479%0.78576%0.761SS**  cis-178.5135.6-33.3-173.4-174.1-162.6162.90.8107.9
217S36.8Very low35.3Very low85 Ų85152.6 Ų152.659%0.59476%0.764SS**  trans57.4132.5164.248.40000118.4
218H33.9Very low35.2Very low169 Ų169151.4 Ų151.478%0.78276%0.755SS**  -178.4-178.478.4-93.3-75.3000108.8
219L35.5Very low35.3Very low153 Ų153157 Ų15780%0.80176%0.759SS**  cis-144.4-125.74.5-141.8171000111.2
220R36.3Very low35.1Very low218 Ų218153.5 Ų153.582%0.82375%0.754SS**  trans-149.8155.9172.3-98.8177.3152.1-132.61.6106.9
221D35.8Very low35.2Very low164 Ų164155.4 Ų155.488%0.87775%0.753SS**  trans-153.6170.1141.7-136.3-25.7000113.3
222E34.5Very low35Very low137 Ų137154.2 Ų154.264%0.6475%0.747SS**  trans-96.6170.1-160-75.1-160.4119.300118.4
223F30.8Very low35Very low163 Ų163157.7 Ų157.772%0.71575%0.75SS**  trans13.9155.1144.7-68.3-65.6000121.2
224K37Very low35.6Very low172 Ų172156.8 Ų156.875%0.74875%0.752SS**  cis-164.9135.816.5-113.3151.1-165.9173.40106.7
225D32.4Very low35.1Very low148 Ų148152.8 Ų152.879%0.79176%0.755SS**  10114684.5-168.328.2000116.2
226S33.4Very low35.3Very low83 Ų83157 Ų15758%0.5877%0.766SS**  trans75.6106.9163.381.60000122
227K34.9Very low35.4Very low204 Ų204150.5 Ų150.589%0.88776%0.764SS**  -168.9168.8113.3-12474.7177.8-172.10111.5
228S34.8Very low35.7Very low99 Ų99155.1 Ų155.169%0.69278%0.781SS**  trans-133.6169.2-154.457.20000115.7
229R34Very low35.8Very low234 Ų234155.9 Ų155.988%0.88379%0.785SS**  trans90103.2159.4-67.3175.7165.9151.9-4121.1
230S32.8Very low35.7Very low100 Ų100156.7 Ų156.770%0.69979%0.789SS**  77.7109.5111.9-160.70000121.9
231R36.7Very low36Very low230 Ų230152.7 Ų152.787%0.86879%0.791SS**  178.4116.1106.8-98.3174.2-89.8-153.4-1.5115.7
232H32.1Very low36Very low162 Ų162150.6 Ų150.675%0.7579%0.789SS**  60.3123.5126.5-136.737000124.7
233L37.8Very low36.1Very low135 Ų135147.9 Ų147.971%0.70780%0.798SS**  trans72.9154.5149.9-65.5171.3000121.3
234P48Very low36.3Very low119 Ų119150.5 Ų150.577%0.77380%0.803SS**  -140.9170.4-52.237.9-20.6000114.3
235G31.7Very low36.1Very low72 Ų72147.7 Ų147.774%0.74279%0.792SS**  trans15161.4158.600000120.1
236Y36.3Very low36.2Very low242 Ų242148 Ų14895%0.94979%0.789SS**  trans45.8105.8158.1-91.1-93000120.4
237G37.6Very low36.2Very low71 Ų71152.7 Ų152.773%0.73280%0.802SS**  trans-133.6137157.600000111
238L42.5Very low36Very low182 Ų182146.8 Ų146.895%0.95379%0.791SS**  trans-87.7122.4169.3-89.9159.5000109.1
239Q36.3Very low36Very low186 Ų186147.1 Ų147.187%0.86979%0.793SS**  trans-118.8134.1171.2-73.5-179.8-8.900109.9
240L34.7Very low35.9Very low170 Ų170141.8 Ų141.889%0.8979%0.786SS**  trans-113.3131.8166.5-71.3171000108
241P41.9Very low35.9Very low133 Ų133145.3 Ų145.386%0.86479%0.794SS**  trans-83.4154.5-175.933.2-35.1000112.9
242S36.7Very low35.6Very low120 Ų120138.9 Ų138.984%0.83978%0.784SS**  trans-117.7130.9-178.660.60000113.5
243G35.9Very low35.6Very low80 Ų80136.1 Ų136.183%0.82578%0.783SS**  trans90162162.400000116.6
244R34.1Very low35.3Very low218 Ų218136.6 Ų136.682%0.82379%0.786SS**  cis-166.8147.3-8.6-159.9-175.6170.3-164.1-8.7111.4
245H32.8Very low34.7Very low113 Ų113135.9 Ų135.952%0.52378%0.784SS.*  trans73.2128.2156.1-83.1-50.4000125.2
246H34.1Very low34.8Very low155 Ų155135.5 Ų135.572%0.71878%0.78SS**  trans42.4129.5136-57.5-29.6000120.9
247Q34.9Very low34.6Very low182 Ų182134.3 Ų134.385%0.8577%0.774SS**  -153.7175.761.1-101.5-68.315.400113.1
248A31.2Very low34.6Very low79 Ų79140.1 Ų140.165%0.65377%0.774SS**  trans-90.2169.2-174.400000115.7
249S33.1Very low34.2Very low107 Ų107138.8 Ų138.875%0.74876%0.763SS**  trans121120.8134.9780000119.3
250V32.6Very low33.9Very low122 Ų122140.8 Ų140.874%0.73976%0.762SS**  74.5111.7126.21740000119.9
251M32.6Very low33.8Very low173 Ų173137.5 Ų137.585%0.85275%0.754SS**  trans64.6165147.6-63.6-67.2105.100116.5
252S31.2Very low33.5Very low96 Ų96142.8 Ų142.867%0.67176%0.756SS**  cis180147.7-18.4167.10000104.9
253S30.9Very low33.5Very low104 Ų104142.4 Ų142.473%0.72775%0.754SS**  148.7152.4127.762.10000115.4
254N32.8Very low33.3Very low145 Ų145149.5 Ų149.578%0.77576%0.756SS**  trans61.7112.3155.5-90.614.1000119.8
255S34.6Very low33.4Very low104 Ų104144.4 Ų144.473%0.72775%0.753SS**  88.9137.669.674.90000112.3
256G33.7Very low34.3Very low64 Ų64144.6 Ų144.666%0.6677%0.765SS**  cis151.2154.6-000000110.8
257R33.6Very low34.4Very low217 Ų217144.6 Ų144.682%0.81977%0.765SS**  trans70.5153.5-178.9-53.8-177.6173.2-156.8-1114.2
258R35.8Very low34.3Very low193 Ų193147.4 Ų147.473%0.72877%0.768SS**  cis-165.3137.6-8.2-118.3178.7-172179.2-1.8104.4
259E34.3Very low34.7Very low153 Ų153149.8 Ų149.872%0.71577%0.769SS**  164.5150.877.8-93.2-122.8171.400108.3
260R30.3Very low34.8Very low228 Ų228153.4 Ų153.486%0.8677%0.774SS**  -176.7115.1116.7-151.286-172.3-169.83.4112.9
261S33.8Very low35.1Very low102 Ų102156 Ų15671%0.71378%0.775SS**  trans47133.1148.960.10000124.5
262R34.2Very low35.2Very low243 Ų243154 Ų15492%0.91777%0.768SS**  trans-107.9153.9159.8-73.6173.4164.7143.7-8111.7
263S38.2Very low35.4Very low112 Ų112155.3 Ų155.378%0.78378%0.777SS**  trans171.1157.8141.642.20000107.9
264R31.9Very low35.8Very low230 Ų230161.1 Ų161.187%0.86878%0.783SS**  cis-158.9126.13.1-124.7163.3175.5161.2-5.6104.6
265S35.8Very low35.8Very low110 Ų110159.9 Ų159.977%0.76979%0.786SS**  154.4166.893.3-83.30000109.8
266P51.2Low35.8Very low117 Ų117165.1 Ų165.176%0.7679%0.791SS**  trans-126.9170.3-153.943.3-30.4000117.7
267H36.7Very low35.8Very low156 Ų156165.2 Ų165.272%0.72279%0.786SS**  trans58.2130148.8-125.3-64000121.2
268R32.2Very low35.8Very low241 Ų241160 Ų16091%0.90978%0.783SS**  trans-153.5109.6141.8-116.3175.6-172.6-170.11.2111.8
269N40.6Very low35.8Very low128 Ų128156 Ų15668%0.68478%0.784SS**  trans-83.4146.3154.2-83.6-24.4000107.2
270H33.7Very low36Very low183 Ų183159.2 Ų159.285%0.84779%0.791SS**  trans-148.3135145.7-128.5-75.5000112.1
271K40Very low36.5Very low177 Ų177157.8 Ų157.877%0.7779%0.791SS**  trans-79.9166.9166.1-83-176.8170.3-176.50110.8
272D35.1Very low37.1Very low131 Ų131163.2 Ų163.270%0.70180%0.802SS**  trans75.4116.2154.1-78.6-58.4000119.3
273S35.1Very low37.3Very low123 Ų123157.8 Ų157.886%0.8680%0.795SS**  -157.2139.110918.80000111
274R38.1Very low37.4Very low226 Ų226161.2 Ų161.285%0.85380%0.799SS**  trans-97.7166.1174.7-80.9173.6161.9170.5-6.7110.5
275S34.3Very low38Very low119 Ų119155.2 Ų155.283%0.83280%0.799SS**  trans74.2153.2166.183.40000115.4
276Y34Very low38.2Very low214 Ų214161.5 Ų161.584%0.83981%0.806SS**  cis-148.6143.911.5175.8-107.2000112.3
277A32.5Very low38.1Very low66 Ų66162.4 Ų162.455%0.54580%0.804SS.*  trans19.9153.515800000125.5
278S33.5Very low38.9Very low109 Ų109160.9 Ų160.976%0.76281%0.808SS**  trans76.2110.8141.5-156.10000119.4
279S36Very low39.7Very low108 Ų108154.5 Ų154.576%0.75580%0.8SS**  -178.9153.685.2-169.10000112.2K281S279-K281 PolarHBondContact O-N 2.89Å
280Y38.5Very low40.4Very low221 Ų221154.1 Ų154.187%0.86781%0.805SS**  trans-67.3122.7-177.5-67.8-106.2000112.5
281K40.5Very low41.2Very low198 Ų198154.5 Ų154.586%0.86181%0.807SS**  trans-136109.6144.2-84.1-160.6174.8179.40112.2S279 V283S279-K281 PolarHBondContact O-N 2.89Å; K281-V283 PolarHBondContact O-N 3.27Å
282K47.3Very low41.6Very low215 Ų215157.2 Ų157.294%0.93581%0.813SS**  trans-60.1114.9165.1-174.5-179.4-176-178.10108.5
283V39.2Very low42.3Very low129 Ų129158.5 Ų158.578%0.78281%0.814SS**  trans-126.3138.9168-172.60000107.1K281K281-V283 PolarHBondContact O-N 3.27Å
284E40.3Very low43Very low184 Ų184158.5 Ų158.586%0.8681%0.809SS**  trans-63.5152-164.1-62.6169.2133.800113.5R286E284-R286 PolarHBondContact O-N 2.97Å
285A43.3Very low43.5Very low104 Ų104157.6 Ų157.686%0.8681%0.807SS**  trans-66.298.9172.600000109.3
286R40.1Very low44.6Very low242 Ų242160 Ų16091%0.91381%0.805SS**  trans-80.4127.5173.4-163.1170.8-171.3165.52.7108.6E284E284-R286 PolarHBondContact O-N 2.97Å
287D48.7Very low45.6Very low137 Ų137160.9 Ų160.973%0.73381%0.807SS**  trans-50.8146-174.7-66.7-67.1000113.2S289D287-S289 PolarHBondContact O-N 3.42Å
288P53.1Low46.7Very low123 Ų123164.6 Ų164.680%0.79981%0.813SS**  trans-55.8115.3174.3-22.332.9000110.1
289S51Low47.8Very low107 Ų107170.3 Ų170.375%0.74882%0.818SS**PPolyproline II helixtrans-58.5133.7171.7-65.90000108.7D287 Q291D287-S289 PolarHBondContact O-N 3.42Å; S289-Q291 PolarHBondContact O-N 3.46Å
290P54.1Low48.6Very low120 Ų120172.1 Ų172.178%0.77982%0.819SS**PPolyproline II helixtrans-57.5131.4-178.623.6-33.2000108.8R292P290-R292 PolarHBondContact O-N 3.46Å
291Q49.8Very low49.4Very low191 Ų191169.6 Ų169.689%0.89382%0.815SS**PPolyproline II helixtrans-54.1118.7177.1-73.2-168.5-1.300108.1S289 E293S289-Q291 PolarHBondContact O-N 3.46Å; Q291-E293 PolarHBondContact O-N 2.84Å
292R49.1Very low50.2Low235 Ų235167.1 Ų167.189%0.88782%0.816SS**  trans-60.8112165.1-82.6-173.8168.9-144-1.5106.4P290 T294P290-R292 PolarHBondContact O-N 3.46Å; R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 3.32Å; R292-T294 PolarHBondContact O-OG1 2.83Å
293E49.9Very low50.8Low158 Ų158161.6 Ų161.674%0.73881%0.805SS**  trans-51.6104.1165.7-73.4-168.2157.500107.4Q291 Y295Q291-E293 PolarHBondContact O-N 2.84Å; E293-Y295 VanDerWaalsContact C-N 3.28Å; E293-Y295 PolarHBondContact O-N 2.9Å
294T49.7Very low52.3Low123 Ų123164.9 Ų164.976%0.75581%0.808SS**  trans-72.297.7174.1-61.50000104.3R292 Q296R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 3.32Å; R292-T294 PolarHBondContact O-OG1 2.83Å; T294-Q296 VanDerWaalsContact C-N 3.26Å; T294-Q296 PolarHBondContact O-N 3.28Å
295Y49.7Very low53.7Low207 Ų207166 Ų16681%0.81281%0.81SS**  trans-51.895.7174.3-75.4-79.4000108.3E293 R297E293-Y295 VanDerWaalsContact C-N 3.28Å; E293-Y295 PolarHBondContact O-N 2.9Å; Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.03Å
296Q57Low55Low168 Ų168165.3 Ų165.379%0.78579%0.792SS**  trans-62.7104.8172.6-73.5-168.5-0.800105.2T294 Q298T294-Q296 VanDerWaalsContact C-N 3.26Å; T294-Q296 PolarHBondContact O-N 3.28Å; Q296-Q298 VanDerWaalsContact C-N 3.27Å; Q296-Q298 PolarHBondContact O-N 3.49Å
297R55.3Low56.9Low234 Ų234156.2 Ų156.288%0.88377%0.765SS**  trans-62.896.6179.8-167.5178-158.5-115.95.8106.6Y295 R299Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.03Å; R297-R299 PolarHBondContact O-N 3.46Å
298Q55.3Low58.3Low144 Ų144154 Ų15467%0.67377%0.766SS**  trans-45.3116-177.7-78.5-67.7-12.800107.8Q296 N300Q296-Q298 VanDerWaalsContact C-N 3.27Å; Q296-Q298 PolarHBondContact O-N 3.49Å; Q298-N300 PolarHBondContact O-N 2.9Å
299R55.2Low59.7Low228 Ų228155.9 Ų155.986%0.8676%0.764SS**  trans-78.682.8-165.7-162.3-178.9-164.5-137.86.4106.9R297 H301R297-R299 PolarHBondContact O-N 3.46Å; R299-H301 PolarHBondContact O-N 3.04Å
300N54.2Low61.3Low147 Ų147155.6 Ų155.679%0.78675%0.751SS**  trans-32.9106.3-172.7-75.7-17.9000110.6Q298 V302Q298-N300 PolarHBondContact O-N 2.9Å; N300-V302 PolarHBondContact O-N 3.44Å
301H55.1Low62.5Low167 Ų167155 Ų15577%0.77374%0.74SS**  trans-54.2129.7178.3-55.2-70.9000107.8R299 S303R299-H301 PolarHBondContact O-N 3.04Å; H301-S303 PolarHBondContact O-N 2.93Å
302V57.3Low64.2Low146 Ų146150.4 Ų150.489%0.88572%0.719SS**  trans-52.8111.7-177.9-179.90000107.1N300 K304N300-V302 PolarHBondContact O-N 3.44Å; V302-K304 PolarHBondContact O-N 2.82Å
303S59.8Low66.2Low99 Ų99147 Ų14769%0.69271%0.706SS**  trans-58.9132.1-172.748.60000108.9H301 K305H301-S303 PolarHBondContact O-N 2.93Å; S303-K305 PolarHBondContact O-N 2.92Å; S303-K305 VanDerWaalsContact O-N 3.11Å
304K69.8Low68.1Low198 Ų198145.1 Ų145.186%0.86170%0.695SS**  trans-46.9125.6165.5-100.5177.7172.5177.30107V302 L306V302-K304 PolarHBondContact O-N 2.82Å; K304-L306 PolarHBondContact O-N 3.23Å
305K71.4Confident69.8Low207 Ų207147.2 Ų147.290%0.969%0.689SS**  trans-60.4109.3175.7-65-179.2-178.7179.70106.4S303S303-K305 PolarHBondContact O-N 2.92Å; S303-K305 VanDerWaalsContact O-N 3.11Å
306L69.3Low71.9Confident91 Ų91144.6 Ų144.648%0.47668%0.678SS.*  trans-51.4143177.1-72154.2000108.9K304 E310K304-L306 PolarHBondContact O-N 3.23Å; L306-E310 WeakPolarHBondContact CA-OE2 3.4Å; L306-E310 HydrophobicContact CB-CB 4.26Å; L306-E310 HydrophobicContact CD2-CB 4.17Å
307S80.6Confident73.6Confident51 Ų51140.2 Ų140.236%0.35766%0.658SS.*  trans-60.9156.4176.488.20000110E309 E310 L311S307-E309 PolarHBondContact O-N 2.97Å; S307-E309 PolarHBondContact OG-N 2.99Å; S307-E310 PolarHBondContact N-OE2 3.15Å; S307-E310 PolarHBondContact O-N 3.4Å; S307-E310 WeakPolarHBondContact OG-CG 3.49Å; S307-E310 PolarHBondContact OG-N 3.32Å; S307-E310 VanDerWaalsContact OG-N 3.07Å; S307-L311 WeakPolarHBondContact O-CB 3.39Å; S307-L311 PolarHBondContact O-N 3Å
308A78.8Confident75.3Confident89 Ų89135 Ų13574%0.73665%0.645SS**Hα-helixtrans-58.2-33.1179.200000112.1E312A308-E312 PolarHBondContact O-N 3.29Å; A308-E312 VanDerWaalsContact O-N 3.08Å
309E81.8Confident77Confident163 Ų163133.1 Ų133.176%0.76264%0.638SS**Hα-helixtrans-72.6-43.7176.8-172.8176.6-176.500112.3S307 L311 E312 R313S307-E309 PolarHBondContact O-N 2.97Å; S307-E309 PolarHBondContact OG-N 2.99Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.04Å; E309-E312 PolarHBondContact O-N 3.29Å; E309-R313 PolarHBondContact O-N 3.43Å
310E83.4Confident78.8Confident101 Ų101125.9 Ų125.947%0.47262%0.616SS.*Hα-helixtrans-61.9-38.5173.5-71.6170.9159.300111.8L306 S307 R313 K314L306-E310 WeakPolarHBondContact CA-OE2 3.4Å; L306-E310 HydrophobicContact CB-CB 4.26Å; L306-E310 HydrophobicContact CD2-CB 4.17Å; S307-E310 PolarHBondContact N-OE2 3.15Å; S307-E310 PolarHBondContact O-N 3.4Å; S307-E310 WeakPolarHBondContact OG-CG 3.49Å; S307-E310 PolarHBondContact OG-N 3.32Å; S307-E310 VanDerWaalsContact OG-N 3.07Å; E310-R313 PolarHBondContact O-N 3.02Å; E310-K314 WeakPolarHBondContact O-CB 3.43Å; E310-K314 PolarHBondContact O-N 3.02Å
311L81.1Confident80.7Confident108 Ų108124.7 Ų124.757%0.56561%0.605SS**Hα-helixtrans-64.2-42.6175.7-164.882.8000111.2S307 E309 R315S307-L311 WeakPolarHBondContact O-CB 3.39Å; S307-L311 PolarHBondContact O-N 3Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.04Å; L311-R315 WeakPolarHBondContact O-CB 3.46Å; L311-R315 PolarHBondContact O-N 2.97Å
312E85.1Confident82.4Confident94 Ų94118.8 Ų118.844%0.43959%0.586SS.*Hα-helixtrans-67.8-41.8176.1-162.4-173.2151.100111.7A308 E309 K314 R315 R316A308-E312 PolarHBondContact O-N 3.29Å; A308-E312 VanDerWaalsContact O-N 3.08Å; E309-E312 PolarHBondContact O-N 3.29Å; E312-K314 VanDerWaalsContact C-N 3.35Å; E312-K314 PolarHBondContact O-N 3.01Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 2.92Å; E312-R315 VanDerWaalsContact O-N 3.12Å; E312-R316 WeakPolarHBondContact O-CG 3.37Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 IonicContact OE1-CZ 2.79Å; E312-R316 VanDerWaalsContact OE1-CZ 3.28Å; E312-R316 IonicContact OE1-NE 3.11Å; E312-R316 PolarHBondContact OE1-NE 2.94Å; E312-R316 VanDerWaalsContact OE1-NE 3.08Å; E312-R316 IonicContact OE1-NH2 2.8Å; E312-R316 PolarHBondContact OE1-NH2 3.11Å
313R90.7Very high84.2Confident164 Ų164117.2 Ų117.262%0.61957%0.567SS**Hα-helixtrans-58.5-47.6175.8-153.8-168.790.7-167.26.2111.1E309 E310 R315 R316 E317E309-R313 PolarHBondContact O-N 3.43Å; E310-R313 PolarHBondContact O-N 3.02Å; R313-R315 VanDerWaalsContact C-N 3.29Å; R313-R315 PolarHBondContact O-N 3.4Å; R313-R316 PolarHBondContact O-N 2.67Å; R313-R316 VanDerWaalsContact O-N 3.13Å; R313-E317 IonicContact CZ-OE1 3.94Å; R313-E317 VanDerWaalsContact CZ-OE1 3.26Å; R313-E317 IonicContact NE-OE1 2.88Å; R313-E317 PolarHBondContact NE-OE1 3.2Å; R313-E317 IonicContact NH2-OE1 3.77Å; R313-E317 PolarHBondContact NH2-OE1 3.46Å; R313-E317 WeakPolarHBondContact O-CG 3.28Å; R313-E317 PolarHBondContact O-N 3.15Å
314K89.6Confident85.7Confident118 Ų118118.4 Ų118.451%0.51356%0.562SS.*Hα-helixtrans-63.8-32.4176.2-169.3169-174.1170.40112.8E310 E312 M318E310-K314 WeakPolarHBondContact O-CB 3.43Å; E310-K314 PolarHBondContact O-N 3.02Å; E312-K314 VanDerWaalsContact C-N 3.35Å; E312-K314 PolarHBondContact O-N 3.01Å; K314-M318 WeakPolarHBondContact O-CB 3.48Å; K314-M318 PolarHBondContact O-N 3.23Å
315R86.1Confident86.8Confident167 Ų167115.9 Ų115.963%0.6355%0.547SS*.Hα-helixtrans-67.5-40.3172.5-174.6-176.8178.1-146.60.1111.8L311 E312 R313 M318 M319L311-R315 WeakPolarHBondContact O-CB 3.46Å; L311-R315 PolarHBondContact O-N 2.97Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 2.92Å; E312-R315 VanDerWaalsContact O-N 3.12Å; R313-R315 VanDerWaalsContact C-N 3.29Å; R313-R315 PolarHBondContact O-N 3.4Å; R315-M318 PolarHBondContact O-N 3.46Å; R315-M319 VanDerWaalsContact O-CG 3.3Å; R315-M319 WeakPolarHBondContact O-CG 3.25Å; R315-M319 PolarHBondContact O-N 2.96Å
316R92.6Very high87.6Confident152 Ų152111.8 Ų111.857%0.57453%0.531SS*.Hα-helixtrans-65.6-49.1174.5-66.8178.9-172.9-163.65.4111E312 R313 M318 M319 D320E312-R316 WeakPolarHBondContact O-CG 3.37Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 IonicContact OE1-CZ 2.79Å; E312-R316 VanDerWaalsContact OE1-CZ 3.28Å; E312-R316 IonicContact OE1-NE 3.11Å; E312-R316 PolarHBondContact OE1-NE 2.94Å; E312-R316 VanDerWaalsContact OE1-NE 3.08Å; E312-R316 IonicContact OE1-NH2 2.8Å; E312-R316 PolarHBondContact OE1-NH2 3.11Å; R313-R316 PolarHBondContact O-N 2.67Å; R313-R316 VanDerWaalsContact O-N 3.13Å; R316-M318 VanDerWaalsContact C-N 3.29Å; R316-M318 PolarHBondContact O-N 3.08Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.36Å; R316-D320 PolarHBondContact O-N 3.3Å
317E93.4Very high88.8Confident77 Ų77112.8 Ų112.836%0.3653%0.533SS..Hα-helixtrans-52.8-44.9173.7-70.7169.1-167.700111.8R313 D320 Q321R313-E317 IonicContact CZ-OE1 3.94Å; R313-E317 VanDerWaalsContact CZ-OE1 3.26Å; R313-E317 IonicContact NE-OE1 2.88Å; R313-E317 PolarHBondContact NE-OE1 3.2Å; R313-E317 IonicContact NH2-OE1 3.77Å; R313-E317 PolarHBondContact NH2-OE1 3.46Å; R313-E317 WeakPolarHBondContact O-CG 3.28Å; R313-E317 PolarHBondContact O-N 3.15Å; E317-D320 PolarHBondContact O-N 2.87Å; E317-Q321 WeakPolarHBondContact O-CB 3.29Å; E317-Q321 VanDerWaalsContact O-CG 3.3Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.37Å
318M90.3Very high89.3Confident125 Ų125115 Ų11562%0.61654%0.541SS*.Hα-helixtrans-64.5-38.9176-174.3-175.2-64.700113.1K314 R315 R316 A322K314-M318 WeakPolarHBondContact O-CB 3.48Å; K314-M318 PolarHBondContact O-N 3.23Å; R315-M318 PolarHBondContact O-N 3.46Å; R316-M318 VanDerWaalsContact C-N 3.29Å; R316-M318 PolarHBondContact O-N 3.08Å; M318-A322 WeakPolarHBondContact O-CB 3.46Å; M318-A322 PolarHBondContact O-N 2.91Å
319M91.8Very high90Very high104 Ų104117.6 Ų117.651%0.51253%0.531SS..Hα-helixtrans-67.2-39.1176.2-74.2-67-164.300112R315 R316 A322 K323R315-M319 VanDerWaalsContact O-CG 3.3Å; R315-M319 WeakPolarHBondContact O-CG 3.25Å; R315-M319 PolarHBondContact O-N 2.96Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.36Å; M319-A322 WeakPolarHBondContact O-CB 3.15Å; M319-A322 PolarHBondContact O-N 3.37Å; M319-K323 WeakPolarHBondContact O-CG 3.26Å; M319-K323 PolarHBondContact O-N 3.46Å
320D93.9Very high90.6Very high76 Ų76114.8 Ų114.841%0.40652%0.518SS..Hα-helixtrans-75.2-35.9-179.6-65-33.4000111.7R316 E317 A322 K323 Q324R316-D320 PolarHBondContact O-N 3.3Å; E317-D320 PolarHBondContact O-N 2.87Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 3.37Å; D320-K323 PolarHBondContact O-N 3.28Å; D320-K323 IonicContact OD1-NZ 2.64Å; D320-K323 PolarHBondContact OD1-NZ 2.84Å; D320-Q324 WeakPolarHBondContact O-CG 3.44Å; D320-Q324 PolarHBondContact O-N 3.23Å
321Q93.4Very high91.1Very high121 Ų121114.2 Ų114.257%0.56552%0.519SS*.Hα-helixtrans-62.2-34.3167-73.11764.900112.7E317 R325E317-Q321 WeakPolarHBondContact O-CB 3.29Å; E317-Q321 VanDerWaalsContact O-CG 3.3Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.37Å; Q321-R325 PolarHBondContact O-N 3.11Å; Q321-R325 VanDerWaalsContact O-N 3.15Å
322A90.5Very high91.6Very high44 Ų44113 Ų11336%0.36451%0.512SS..Hα-helixtrans-66.5-43.5174.700000111.4M318 M319 D320 R325 E326M318-A322 WeakPolarHBondContact O-CB 3.46Å; M318-A322 PolarHBondContact O-N 2.91Å; M319-A322 WeakPolarHBondContact O-CB 3.15Å; M319-A322 PolarHBondContact O-N 3.37Å; D320-A322 VanDerWaalsContact C-N 3.29Å; D320-A322 PolarHBondContact O-N 3.37Å; A322-R325 PolarHBondContact O-N 2.93Å; A322-E326 PolarHBondContact O-N 2.89Å
323K94.6Very high92Very high113 Ų113112 Ų11249%0.49151%0.513SS..Hα-helixtrans-59.9-47.7174.1-66.8169.3-166160.40112.1M319 D320 R325 E326 E327M319-K323 WeakPolarHBondContact O-CG 3.26Å; M319-K323 PolarHBondContact O-N 3.46Å; D320-K323 PolarHBondContact O-N 3.28Å; D320-K323 IonicContact OD1-NZ 2.64Å; D320-K323 PolarHBondContact OD1-NZ 2.84Å; K323-R325 VanDerWaalsContact C-N 3.3Å; K323-R325 PolarHBondContact O-N 3.17Å; K323-E326 WeakPolarHBondContact O-CA 3.3Å; K323-E326 VanDerWaalsContact O-CB 3.28Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 3.39Å; K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 2.95Å
324Q91.8Very high92.2Very high123 Ų123108.9 Ų108.958%0.57550%0.504SS*.Hα-helixtrans-56.7-44177.2-73.8178.9-8.400111.7D320 E326 E327 D328D320-Q324 WeakPolarHBondContact O-CG 3.44Å; D320-Q324 PolarHBondContact O-N 3.23Å; Q324-E326 VanDerWaalsContact C-N 3.31Å; Q324-E326 PolarHBondContact O-N 3.07Å; Q324-E327 PolarHBondContact O-N 3.14Å; Q324-D328 PolarHBondContact O-N 3.1Å
325R92.9Very high92.4Very high146 Ų146109.5 Ų109.555%0.55150%0.503SS*.Hα-helixtrans-67.2-28174.4-74.1-158.6-72.4111.3-8.4114Q321 A322 K323 R329Q321-R325 PolarHBondContact O-N 3.11Å; Q321-R325 VanDerWaalsContact O-N 3.15Å; A322-R325 PolarHBondContact O-N 2.93Å; K323-R325 VanDerWaalsContact C-N 3.3Å; K323-R325 PolarHBondContact O-N 3.17Å; R325-R329 WeakPolarHBondContact O-CB 3.39Å; R325-R329 VanDerWaalsContact O-CD 3.26Å; R325-R329 WeakPolarHBondContact O-CD 3.4Å; R325-R329 WeakPolarHBondContact O-CG 3.35Å; R325-R329 PolarHBondContact O-N 3.01Å
326E88.8Confident92.6Very high120 Ų120108.2 Ų108.256%0.56150%0.499SS*.Hα-helixtrans-69.1-45.2172.4-152.483-9500110.8A322 K323 Q324 R329 E330A322-E326 PolarHBondContact O-N 2.89Å; K323-E326 WeakPolarHBondContact O-CA 3.3Å; K323-E326 VanDerWaalsContact O-CB 3.28Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 3.39Å; Q324-E326 VanDerWaalsContact C-N 3.31Å; Q324-E326 PolarHBondContact O-N 3.07Å; E326-R329 WeakPolarHBondContact O-CB 3.18Å; E326-R329 PolarHBondContact O-N 3.18Å; E326-R329 IonicContact OE1-NH1 2.8Å; E326-E330 PolarHBondContact O-N 2.94Å
327E93.7Very high92.6Very high113 Ų113107.2 Ų107.253%0.52850%0.499SS..Hα-helixtrans-62.5-44.6176.8-70.1172.7-170.100111.7K323 Q324 R329 E330 N331K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 2.95Å; Q324-E327 PolarHBondContact O-N 3.14Å; E327-R329 VanDerWaalsContact C-N 3.33Å; E327-R329 PolarHBondContact O-N 3.42Å; E327-E330 PolarHBondContact O-N 2.93Å; E327-N331 WeakPolarHBondContact O-CB 3.41Å; E327-N331 VanDerWaalsContact O-CG 3.23Å; E327-N331 PolarHBondContact O-N 2.93Å; E327-N331 PolarHBondContact O-ND2 3.49Å; E327-N331 VanDerWaalsContact O-ND2 3.17Å
328D91.6Very high92.5Very high96 Ų96111.3 Ų111.351%0.51351%0.511SS..Hα-helixtrans-60.4-40.7174.2-77.4-27000112.4Q324 N332Q324-D328 PolarHBondContact O-N 3.1Å; D328-N332 WeakPolarHBondContact O-CB 3.46Å; D328-N332 PolarHBondContact O-N 2.98Å; D328-N332 PolarHBondContact O-ND2 2.96Å
329R92.9Very high92.4Very high144 Ų144109.4 Ų109.454%0.54350%0.501SS..Hα-helixtrans-64.6-45.8174.2-75.8164.9174.1-176.3-5.8111R325 E326 E327 N331 N332 V333R325-R329 WeakPolarHBondContact O-CB 3.39Å; R325-R329 VanDerWaalsContact O-CD 3.26Å; R325-R329 WeakPolarHBondContact O-CD 3.4Å; R325-R329 WeakPolarHBondContact O-CG 3.35Å; R325-R329 PolarHBondContact O-N 3.01Å; E326-R329 WeakPolarHBondContact O-CB 3.18Å; E326-R329 PolarHBondContact O-N 3.18Å; E326-R329 IonicContact OE1-NH1 2.8Å; E327-R329 VanDerWaalsContact C-N 3.33Å; E327-R329 PolarHBondContact O-N 3.42Å; R329-N331 VanDerWaalsContact C-N 3.34Å; R329-N331 PolarHBondContact O-N 3.44Å; R329-N332 PolarHBondContact O-N 2.9Å; R329-V333 WeakPolarHBondContact O-CB 3.41Å; R329-V333 WeakPolarHBondContact O-CG2 3.48Å; R329-V333 PolarHBondContact O-N 3.37Å
330E94.6Very high92.2Very high104 Ų104109.7 Ų109.749%0.48650%0.504SS..Hα-helixtrans-63.3-41.6179.9-152.3-155.4164.200111.3E326 E327 V333 K334E326-E330 PolarHBondContact O-N 2.94Å; E327-E330 PolarHBondContact O-N 2.93Å; E330-V333 PolarHBondContact O-N 3.11Å; E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 VanDerWaalsContact O-CG 3.25Å; E330-K334 WeakPolarHBondContact O-CG 3.38Å; E330-K334 PolarHBondContact O-N 3.12Å; E330-K334 WeakPolarHBondContact OE1-CE 3.46Å; E330-K334 IonicContact OE1-NZ 2.6Å; E330-K334 PolarHBondContact OE1-NZ 2.81Å; E330-K334 IonicContact OE2-NZ 3.24Å; E330-K334 PolarHBondContact OE2-NZ 3.44Å
331N94.4Very high92Very high90 Ų90111.4 Ų111.448%0.48151%0.51SS..Hα-helixtrans-64.1-42.4175.8-73.2-30.4000112.2E327 R329 K334 R335E327-N331 WeakPolarHBondContact O-CB 3.41Å; E327-N331 VanDerWaalsContact O-CG 3.23Å; E327-N331 PolarHBondContact O-N 2.93Å; E327-N331 PolarHBondContact O-ND2 3.49Å; E327-N331 VanDerWaalsContact O-ND2 3.17Å; R329-N331 VanDerWaalsContact C-N 3.34Å; R329-N331 PolarHBondContact O-N 3.44Å; N331-K334 PolarHBondContact O-N 2.95Å; N331-R335 WeakPolarHBondContact O-CB 3.39Å; N331-R335 PolarHBondContact O-N 3.24Å
332N91.4Very high91.7Very high81 Ų81109.8 Ų109.843%0.43350%0.502SS..Hα-helixtrans-63.6-44.1173.2-80.9-56.7000112D328 R329 K334 R335 Y336D328-N332 WeakPolarHBondContact O-CB 3.46Å; D328-N332 PolarHBondContact O-N 2.98Å; D328-N332 PolarHBondContact O-ND2 2.96Å; R329-N332 PolarHBondContact O-N 2.9Å; N332-K334 PolarHBondContact O-N 3.13Å; N332-R335 WeakPolarHBondContact O-CB 3.49Å; N332-R335 PolarHBondContact O-N 2.9Å; N332-Y336 WeakPolarHBondContact O-CD2 3.41Å; N332-Y336 PolarHBondContact O-N 3.08Å
333V93.9Very high91.2Very high73 Ų73110.8 Ų110.844%0.44250%0.501SS..Hα-helixtrans-62.3-41.7175.7169.40000111.4R329 E330 Y336 K337R329-V333 WeakPolarHBondContact O-CB 3.41Å; R329-V333 WeakPolarHBondContact O-CG2 3.48Å; R329-V333 PolarHBondContact O-N 3.37Å; E330-V333 PolarHBondContact O-N 3.11Å; V333-Y336 PolarHBondContact O-N 3.44Å; V333-K337 HydrophobicContact CG1-CD 4.1Å; V333-K337 HydrophobicContact CG1-CG 4.46Å; V333-K337 WeakPolarHBondContact O-CB 3.44Å; V333-K337 WeakPolarHBondContact O-CG 3.42Å; V333-K337 PolarHBondContact O-N 2.88Å
334K94.1Very high90.7Very high99 Ų99111.1 Ų111.143%0.4350%0.503SS..Hα-helixtrans-60.8-42.6173.4-74.8164.7-177.6161.30111.5E330 N331 N332 R338E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 VanDerWaalsContact O-CG 3.25Å; E330-K334 WeakPolarHBondContact O-CG 3.38Å; E330-K334 PolarHBondContact O-N 3.12Å; E330-K334 WeakPolarHBondContact OE1-CE 3.46Å; E330-K334 IonicContact OE1-NZ 2.6Å; E330-K334 PolarHBondContact OE1-NZ 2.81Å; E330-K334 IonicContact OE2-NZ 3.24Å; E330-K334 PolarHBondContact OE2-NZ 3.44Å; N331-K334 PolarHBondContact O-N 2.95Å; N332-K334 PolarHBondContact O-N 3.13Å; K334-R338 WeakPolarHBondContact O-CB 3.48Å; K334-R338 PolarHBondContact O-N 3.27Å
335R93.8Very high90.2Very high132 Ų132110.8 Ų110.850%0.49850%0.501SS..Hα-helixtrans-60.4-49.1176.1-179.9177.9178.1-87.3-0.3111.7N331 N332 R338 Q339N331-R335 WeakPolarHBondContact O-CB 3.39Å; N331-R335 PolarHBondContact O-N 3.24Å; N332-R335 WeakPolarHBondContact O-CB 3.49Å; N332-R335 PolarHBondContact O-N 2.9Å; R335-R338 PolarHBondContact O-N 3.41Å; R335-Q339 PolarHBondContact O-N 2.93Å; R335-Q339 VanDerWaalsContact O-N 3.07Å
336Y90.6Very high89.6Confident140 Ų140111.3 Ų111.355%0.54950%0.503SS..Hα-helixtrans-65.6-43178.4-71.5-60.5000112.6N332 V333 R338 Q339 D340N332-Y336 WeakPolarHBondContact O-CD2 3.41Å; N332-Y336 PolarHBondContact O-N 3.08Å; V333-Y336 PolarHBondContact O-N 3.44Å; Y336-R338 PolarHBondContact O-N 3.22Å; Y336-Q339 PolarHBondContact O-N 3.4Å; Y336-Q339 VanDerWaalsContact O-N 3.16Å; Y336-D340 PolarHBondContact O-N 3.08Å
337K91.7Very high89Confident131 Ų131110 Ų11057%0.5750%0.497SS*.Hα-helixtrans-58.3-45.2174.7-76.4178.5177.6179.40112.3V333 Q339 D340 E341V333-K337 HydrophobicContact CG1-CD 4.1Å; V333-K337 HydrophobicContact CG1-CG 4.46Å; V333-K337 WeakPolarHBondContact O-CB 3.44Å; V333-K337 WeakPolarHBondContact O-CG 3.42Å; V333-K337 PolarHBondContact O-N 2.88Å; K337-Q339 VanDerWaalsContact C-N 3.29Å; K337-Q339 PolarHBondContact O-N 3.03Å; K337-D340 PolarHBondContact O-N 3.2Å; K337-E341 WeakPolarHBondContact O-CB 3.26Å; K337-E341 WeakPolarHBondContact O-CG 3.34Å; K337-E341 PolarHBondContact O-N 3.39Å
338R92.6Very high88.2Confident163 Ų163110 Ų11062%0.61550%0.497SS*.Hα-helixtrans-63.3-35.6177-170.1-179.171.2175.41.6112.2K334 R335 Y336 Q342K334-R338 WeakPolarHBondContact O-CB 3.48Å; K334-R338 PolarHBondContact O-N 3.27Å; R335-R338 PolarHBondContact O-N 3.41Å; Y336-R338 PolarHBondContact O-N 3.22Å; R338-Q342 VanDerWaalsContact O-CG 3.27Å; R338-Q342 WeakPolarHBondContact O-CG 3.39Å; R338-Q342 PolarHBondContact O-N 2.99Å; R338-Q342 VanDerWaalsContact O-N 3.09Å
339Q87.9Confident87.3Confident85 Ų85110.9 Ų110.940%0.39750%0.502SS..Hα-helixtrans-69.6-47.1176.7-173.9172.4-11.800111.4R335 Y336 K337 E341 Q342 D343R335-Q339 PolarHBondContact O-N 2.93Å; R335-Q339 VanDerWaalsContact O-N 3.07Å; Y336-Q339 PolarHBondContact O-N 3.4Å; Y336-Q339 VanDerWaalsContact O-N 3.16Å; K337-Q339 VanDerWaalsContact C-N 3.29Å; K337-Q339 PolarHBondContact O-N 3.03Å; Q339-E341 VanDerWaalsContact C-N 3.34Å; Q339-E341 PolarHBondContact O-N 2.93Å; Q339-Q342 WeakPolarHBondContact O-CB 3.45Å; Q339-Q342 PolarHBondContact O-N 3.1Å; Q339-Q342 VanDerWaalsContact O-N 3.1Å; Q339-D343 PolarHBondContact O-N 3.06Å
340D87.4Confident86.2Confident109 Ų109106.3 Ų106.358%0.58350%0.495SS*.Hα-helixtrans-59.8-41.6175.9-171.765.7000111.9Y336 K337 Q342 D343 K344Y336-D340 PolarHBondContact O-N 3.08Å; K337-D340 PolarHBondContact O-N 3.2Å; D340-Q342 PolarHBondContact O-N 3.35Å; D340-D343 PolarHBondContact O-N 2.84Å; D340-K344 WeakPolarHBondContact O-CB 3.43Å; D340-K344 PolarHBondContact O-N 3.29Å
341E89.7Confident84.7Confident113 Ų113107.3 Ų107.353%0.52850%0.498SS..Hα-helixtrans-62.3-39.8172.8-76.1175.7-172.100112.7K337 Q339 Q345K337-E341 WeakPolarHBondContact O-CB 3.26Å; K337-E341 WeakPolarHBondContact O-CG 3.34Å; K337-E341 PolarHBondContact O-N 3.39Å; Q339-E341 VanDerWaalsContact C-N 3.34Å; Q339-E341 PolarHBondContact O-N 2.93Å; E341-Q345 WeakPolarHBondContact O-CB 3.36Å; E341-Q345 VanDerWaalsContact O-CG 3.26Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 2.87Å
342Q87.5Confident83.2Confident86 Ų86110.8 Ų110.840%0.40251%0.511SS..Hα-helixtrans-68.3-43.7176.5-77.6176.710.400112.2R338 Q339 D340 K344 Q345 R346R338-Q342 VanDerWaalsContact O-CG 3.27Å; R338-Q342 WeakPolarHBondContact O-CG 3.39Å; R338-Q342 PolarHBondContact O-N 2.99Å; R338-Q342 VanDerWaalsContact O-N 3.09Å; Q339-Q342 WeakPolarHBondContact O-CB 3.45Å; Q339-Q342 PolarHBondContact O-N 3.1Å; Q339-Q342 VanDerWaalsContact O-N 3.1Å; D340-Q342 PolarHBondContact O-N 3.35Å; Q342-K344 VanDerWaalsContact C-N 3.34Å; Q342-Q345 PolarHBondContact O-N 2.95Å; Q342-R346 WeakPolarHBondContact O-CG 3.15Å; Q342-R346 PolarHBondContact O-N 2.99Å
343D79.6Confident82.1Confident65 Ų65111.3 Ų111.335%0.34851%0.514SS..Hα-helixtrans-69.5-34.7179.3-70-31.7000111.1Q339 D340 R346 E347Q339-D343 PolarHBondContact O-N 3.06Å; D340-D343 PolarHBondContact O-N 2.84Å; D343-R346 WeakPolarHBondContact O-CB 3.37Å; D343-R346 PolarHBondContact O-N 2.86Å; D343-R346 WeakPolarHBondContact OD1-CD 3.45Å; D343-R346 IonicContact OD1-CZ 2.65Å; D343-R346 IonicContact OD1-NH1 2.69Å; D343-R346 PolarHBondContact OD1-NH1 3.06Å; D343-E347 WeakPolarHBondContact O-CB 3.32Å; D343-E347 PolarHBondContact O-N 3.44Å
344K82.9Confident80.7Confident120 Ų120119.1 Ų119.152%0.52254%0.535SS..Hα-helixtrans-68.4-30.5170.5-170.7173.6-171.5166.50114D340 Q342 Q348D340-K344 WeakPolarHBondContact O-CB 3.43Å; D340-K344 PolarHBondContact O-N 3.29Å; Q342-K344 VanDerWaalsContact C-N 3.34Å; K344-Q348 WeakPolarHBondContact O-CG 3.3Å; K344-Q348 PolarHBondContact O-N 3.27Å; K344-Q348 VanDerWaalsContact O-N 3.12Å; K344-Q348 PolarHBondContact O-NE2 2.96Å
345Q82.8Confident79Confident116 Ų116121 Ų12154%0.54255%0.545SS..Hα-helixtrans-71.5-41.9169.9-76.817426.600111.2E341 Q342 E347 Q348 N349E341-Q345 WeakPolarHBondContact O-CB 3.36Å; E341-Q345 VanDerWaalsContact O-CG 3.26Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 2.87Å; Q342-Q345 PolarHBondContact O-N 2.95Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.76Å; Q345-Q348 PolarHBondContact O-N 3.26Å; Q345-N349 WeakPolarHBondContact O-CB 3.39Å; Q345-N349 VanDerWaalsContact O-CG 3.23Å; Q345-N349 PolarHBondContact O-N 3.32Å
346R80.1Confident77.5Confident157 Ų157116.6 Ų116.659%0.59254%0.537SS*.Hα-helixtrans-59.9-43.1173.1-72.5163.8169.4176.3-5.2111.7Q342 D343 N349 A350Q342-R346 WeakPolarHBondContact O-CG 3.15Å; Q342-R346 PolarHBondContact O-N 2.99Å; D343-R346 WeakPolarHBondContact O-CB 3.37Å; D343-R346 PolarHBondContact O-N 2.86Å; D343-R346 WeakPolarHBondContact OD1-CD 3.45Å; D343-R346 IonicContact OD1-CZ 2.65Å; D343-R346 IonicContact OD1-NH1 2.69Å; D343-R346 PolarHBondContact OD1-NH1 3.06Å; R346-N349 PolarHBondContact O-N 2.79Å; R346-A350 VanDerWaalsContact O-CB 3.3Å; R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 3.26Å
347E75.7Confident76.3Confident92 Ų92111.2 Ų111.243%0.4352%0.524SS..Hα-helixtrans-62.9-42.1175.9-162.9-157.6173.900111.8D343 Q345 A350 K351D343-E347 WeakPolarHBondContact O-CB 3.32Å; D343-E347 PolarHBondContact O-N 3.44Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.76Å; E347-A350 PolarHBondContact O-N 3.14Å; E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.27Å; E347-K351 WeakPolarHBondContact O-CG 3.4Å; E347-K351 PolarHBondContact O-N 3.19Å; E347-K351 VanDerWaalsContact OE1-CE 3.23Å; E347-K351 WeakPolarHBondContact OE1-CE 3.37Å; E347-K351 IonicContact OE1-NZ 2.82Å; E347-K351 PolarHBondContact OE1-NZ 3.16Å; E347-K351 IonicContact OE2-NZ 3.25Å
348Q76.3Confident75.3Confident113 Ų113111.6 Ų111.653%0.52853%0.526SS..Hα-helixtrans-64.6-41.4174.2-79.5173.272.200112.6K344 Q345 K351 H352K344-Q348 WeakPolarHBondContact O-CG 3.3Å; K344-Q348 PolarHBondContact O-N 3.27Å; K344-Q348 VanDerWaalsContact O-N 3.12Å; K344-Q348 PolarHBondContact O-NE2 2.96Å; Q345-Q348 PolarHBondContact O-N 3.26Å; Q348-K351 PolarHBondContact O-N 3.25Å; Q348-H352 PolarHBondContact O-N 2.87Å; Q348-H352 VanDerWaalsContact O-N 3.15Å
349N74.3Confident74.4Confident115 Ų115106.3 Ų106.362%0.61551%0.509SS*.Hα-helixtrans-66.9-41.5176.8-68.1-11.3000111.4Q345 R346 K351 H352 D353Q345-N349 WeakPolarHBondContact O-CB 3.39Å; Q345-N349 VanDerWaalsContact O-CG 3.23Å; Q345-N349 PolarHBondContact O-N 3.32Å; R346-N349 PolarHBondContact O-N 2.79Å; N349-K351 VanDerWaalsContact C-N 3.29Å; N349-K351 PolarHBondContact O-N 3.11Å; N349-H352 WeakPolarHBondContact O-CA 3.27Å; N349-H352 WeakPolarHBondContact O-CB 3.43Å; N349-H352 PolarHBondContact O-N 2.99Å; N349-D353 PolarHBondContact O-N 3.1Å; N349-D353 VanDerWaalsContact O-N 3.07Å
350A68.7Low73.5Confident49 Ų49107 Ų10741%0.40551%0.512SS..Hα-helixtrans-65.7-29.3174.900000113.1R346 E347 H352R346-A350 VanDerWaalsContact O-CB 3.3Å; R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 3.26Å; E347-A350 PolarHBondContact O-N 3.14Å; A350-H352 VanDerWaalsContact C-N 3.31Å
351K63.6Low72.9Confident124 Ų124105.6 Ų105.654%0.53951%0.505SS..Hα-helixtrans-73.1-21169.9-74.8169.4-176.4172.20113.3E347 Q348 N349E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.27Å; E347-K351 WeakPolarHBondContact O-CG 3.4Å; E347-K351 PolarHBondContact O-N 3.19Å; E347-K351 VanDerWaalsContact OE1-CE 3.23Å; E347-K351 WeakPolarHBondContact OE1-CE 3.37Å; E347-K351 IonicContact OE1-NZ 2.82Å; E347-K351 PolarHBondContact OE1-NZ 3.16Å; E347-K351 IonicContact OE2-NZ 3.25Å; Q348-K351 PolarHBondContact O-N 3.25Å; N349-K351 VanDerWaalsContact C-N 3.29Å; N349-K351 PolarHBondContact O-N 3.11Å
352H63.2Low72.2Confident164 Ų164104 Ų10476%0.75950%0.498SS*.Hα-helixtrans-88-21.4175.2-16068.6000112.9Q348 N349 A350 R354Q348-H352 PolarHBondContact O-N 2.87Å; Q348-H352 VanDerWaalsContact O-N 3.15Å; N349-H352 WeakPolarHBondContact O-CA 3.27Å; N349-H352 WeakPolarHBondContact O-CB 3.43Å; N349-H352 PolarHBondContact O-N 2.99Å; A350-H352 VanDerWaalsContact C-N 3.31Å; H352-R354 PolarHBondContact O-N 2.83Å
353D68.2Low71.6Confident92 Ų92106.6 Ų106.649%0.49251%0.508SS..SBendtrans-73.8112.1171.7-173.7-2.2000110.8N349 H355 A356 G357N349-D353 PolarHBondContact O-N 3.1Å; N349-D353 VanDerWaalsContact O-N 3.07Å; D353-H355 PolarHBondContact O-N 3.1Å; D353-H355 PolarHBondContact OD1-N 3.36Å; D353-A356 HydrophobicContact CB-CB 4.05Å; D353-A356 PolarHBondContact O-N 3.32Å; D353-A356 VanDerWaalsContact O-N 3.16Å; D353-G357 PolarHBondContact O-N 3.47Å; D353-G357 VanDerWaalsContact O-N 3.09Å
354R63.2Low71.4Confident236 Ų236108 Ų10889%0.89152%0.515SS*.Hα-helixtrans-61.6-29-169.6-55.7-178.5-164.3174.35.8112.6H352H352-R354 PolarHBondContact O-N 2.83Å
355H59.9Low71.2Confident140 Ų140107.6 Ų107.665%0.64852%0.515SS*.Hα-helixtrans-84.9-34.9179.4-163.3-37.5000112.2D353D353-H355 PolarHBondContact O-N 3.1Å; D353-H355 PolarHBondContact OD1-N 3.36Å
356A62.7Low70.6Confident38 Ų38105 Ų10531%0.31451%0.51SS..Hα-helixtrans-72.2-41.7-179.400000112D353 F358 I359 H360D353-A356 HydrophobicContact CB-CB 4.05Å; D353-A356 PolarHBondContact O-N 3.32Å; D353-A356 VanDerWaalsContact O-N 3.16Å; A356-F358 PolarHBondContact O-N 3.1Å; A356-I359 PolarHBondContact O-N 2.83Å; A356-H360 WeakPolarHBondContact O-CB 3.25Å; A356-H360 PolarHBondContact O-N 3.23Å
357G63.7Low70.2Confident27 Ų27100.2 Ų100.228%0.27850%0.504SS..Hα-helixtrans-59.4-43.2179.200000113.7D353 H360 N361D353-G357 PolarHBondContact O-N 3.47Å; D353-G357 VanDerWaalsContact O-N 3.09Å; G357-H360 PolarHBondContact O-N 3.19Å; G357-N361 WeakPolarHBondContact O-CB 3.36Å; G357-N361 PolarHBondContact O-N 2.95Å
358F70.9Confident70.2Confident139 Ų139100.2 Ų100.261%0.6152%0.519SS*.Hα-helixtrans-63.3-50.5178.6178.3-102.2000112.2A356 H360 N361 M362A356-F358 PolarHBondContact O-N 3.1Å; F358-H360 VanDerWaalsContact C-N 3.29Å; F358-H360 PolarHBondContact O-N 3.14Å; F358-N361 PolarHBondContact O-N 2.91Å; F358-M362 HydrophobicContact CE1-SD 4.11Å; F358-M362 HydrophobicContact CZ-SD 4.31Å; F358-M362 VanDerWaalsContact O-CB 3.3Å; F358-M362 WeakPolarHBondContact O-CB 3.24Å; F358-M362 PolarHBondContact O-N 3.13Å
359I73.6Confident70.1Confident53 Ų5399.4 Ų99.427%0.27253%0.527SS..Hα-helixtrans-64.9-34.7178.7-60.6-60.9000111.3A356 M362 K363A356-I359 PolarHBondContact O-N 2.83Å; I359-M362 HydrophobicContact CD1-CE 3.77Å; I359-K363 HydrophobicContact CG2-CD 4.08Å; I359-K363 WeakPolarHBondContact O-CB 3.03Å; I359-K363 WeakPolarHBondContact O-CG 3.26Å; I359-K363 PolarHBondContact O-N 2.86Å
360H70.5Confident70.1Confident98 Ų9895 Ų9545%0.45451%0.505SS..Hα-helixtrans-66.7-46.9175.7-176.216.3000112A356 G357 F358 K363 L364A356-H360 WeakPolarHBondContact O-CB 3.25Å; A356-H360 PolarHBondContact O-N 3.23Å; G357-H360 PolarHBondContact O-N 3.19Å; F358-H360 VanDerWaalsContact C-N 3.29Å; F358-H360 PolarHBondContact O-N 3.14Å; H360-K363 PolarHBondContact O-N 2.76Å; H360-L364 VanDerWaalsContact CE1-CD1 3.46Å; H360-L364 WeakPolarHBondContact CE1-CD1 3.45Å; H360-L364 WeakPolarHBondContact O-CG 3.43Å; H360-L364 PolarHBondContact O-N 2.73Å
361N74.2Confident70.7Confident81 Ų8195.8 Ų95.843%0.43351%0.507SS..Hα-helixtrans-65-45.9178.9-165.660.4000111.2G357 F358 K363 L364 E365G357-N361 WeakPolarHBondContact O-CB 3.36Å; G357-N361 PolarHBondContact O-N 2.95Å; F358-N361 PolarHBondContact O-N 2.91Å; N361-K363 VanDerWaalsContact C-N 3.28Å; N361-K363 PolarHBondContact O-N 3.43Å; N361-L364 WeakPolarHBondContact O-CB 3.44Å; N361-L364 PolarHBondContact O-N 2.9Å; N361-E365 VanDerWaalsContact ND2-CD 3.25Å; N361-E365 PolarHBondContact ND2-OE1 3.46Å; N361-E365 WeakPolarHBondContact O-CG 3.32Å; N361-E365 PolarHBondContact O-N 3.07Å
362M74.1Confident71Confident79 Ų7996 Ų9639%0.38951%0.513SS..Hα-helixtrans-59.2-36175.2-173.5179.669.400112.6F358 I359 S366F358-M362 HydrophobicContact CE1-SD 4.11Å; F358-M362 HydrophobicContact CZ-SD 4.31Å; F358-M362 VanDerWaalsContact O-CB 3.3Å; F358-M362 WeakPolarHBondContact O-CB 3.24Å; F358-M362 PolarHBondContact O-N 3.13Å; I359-M362 HydrophobicContact CD1-CE 3.77Å; M362-S366 VanDerWaalsContact O-CB 3.23Å; M362-S366 WeakPolarHBondContact O-CB 3.31Å; M362-S366 PolarHBondContact O-N 2.85Å; M362-S366 PolarHBondContact O-OG 3.19Å
363K74.9Confident71.7Confident141 Ų14193.5 Ų93.561%0.61350%0.502SS*.Hα-helixtrans-69-39.6172.7-79.5173.9179.7178.80112.7I359 H360 N361 A367I359-K363 HydrophobicContact CG2-CD 4.08Å; I359-K363 WeakPolarHBondContact O-CB 3.03Å; I359-K363 WeakPolarHBondContact O-CG 3.26Å; I359-K363 PolarHBondContact O-N 2.86Å; H360-K363 PolarHBondContact O-N 2.76Å; N361-K363 VanDerWaalsContact C-N 3.28Å; N361-K363 PolarHBondContact O-N 3.43Å; K363-A367 VanDerWaalsContact O-CB 3.24Å; K363-A367 WeakPolarHBondContact O-CB 3.5Å; K363-A367 PolarHBondContact O-N 3.03Å
364L76.3Confident72.1Confident94 Ų9492.1 Ų92.149%0.49250%0.495SS..Hα-helixtrans-65.7-45.8175.5-73.7170.9000111.2H360 N361 A367 A368H360-L364 VanDerWaalsContact CE1-CD1 3.46Å; H360-L364 WeakPolarHBondContact CE1-CD1 3.45Å; H360-L364 WeakPolarHBondContact O-CG 3.43Å; H360-L364 PolarHBondContact O-N 2.73Å; N361-L364 WeakPolarHBondContact O-CB 3.44Å; N361-L364 PolarHBondContact O-N 2.9Å; L364-A367 PolarHBondContact O-N 3.18Å; L364-A368 WeakPolarHBondContact O-CB 3.32Å; L364-A368 PolarHBondContact O-N 2.76Å
365E77.9Confident72.7Confident111 Ų11187 Ų8752%0.51948%0.475SS..Hα-helixtrans-63.9-41.5177-71.8170.7173.500111.6N361 A367 A368 S369N361-E365 VanDerWaalsContact ND2-CD 3.25Å; N361-E365 PolarHBondContact ND2-OE1 3.46Å; N361-E365 WeakPolarHBondContact O-CG 3.32Å; N361-E365 PolarHBondContact O-N 3.07Å; E365-A367 VanDerWaalsContact C-N 3.34Å; E365-A367 PolarHBondContact O-N 3.47Å; E365-A368 PolarHBondContact O-N 3.19Å; E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.43Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 2.9Å
366S70.1Confident73.4Confident63 Ų6384 Ų8444%0.44147%0.467SS..Hα-helixtrans-63.7-38.3172.8-60.50000112.4M362 S370M362-S366 VanDerWaalsContact O-CB 3.23Å; M362-S366 WeakPolarHBondContact O-CB 3.31Å; M362-S366 PolarHBondContact O-N 2.85Å; M362-S366 PolarHBondContact O-OG 3.19Å; S366-S370 VanDerWaalsContact O-CB 3.31Å; S366-S370 WeakPolarHBondContact O-CB 3.48Å; S366-S370 PolarHBondContact O-N 2.88Å; S366-S370 VanDerWaalsContact O-N 3.12Å; S366-S370 PolarHBondContact O-OG 3.15Å
367A72.4Confident74Confident55 Ų5587.1 Ų87.146%0.45547%0.473SS..Hα-helixtrans-72.9-31.1178.700000112.8K363 L364 E365 R375K363-A367 VanDerWaalsContact O-CB 3.24Å; K363-A367 WeakPolarHBondContact O-CB 3.5Å; K363-A367 PolarHBondContact O-N 3.03Å; L364-A367 PolarHBondContact O-N 3.18Å; E365-A367 VanDerWaalsContact C-N 3.34Å; E365-A367 PolarHBondContact O-N 3.47Å; A367-R375 PolarHBondContact O-NH2 3.03Å
368A75.4Confident74.5Confident92 Ų9293 Ų9376%0.7649%0.487SS*.Hα-helixtrans-81.1-33.4176.600000113.4L364 E365L364-A368 WeakPolarHBondContact O-CB 3.32Å; L364-A368 PolarHBondContact O-N 2.76Å; E365-A368 PolarHBondContact O-N 3.19Å
369S75.4Confident74.4Confident97 Ų9791.3 Ų91.368%0.67848%0.484SS*.Hα-helixtrans-86.2-27.6-179.356.40000114.3E365E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.43Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 2.9Å
370S74.1Confident74.3Confident22 Ų2293.4 Ų93.415%0.15450%0.495CS..SBendtrans-85.4116.5-179.461.10000112.8S366 R375S366-S370 VanDerWaalsContact O-CB 3.31Å; S366-S370 WeakPolarHBondContact O-CB 3.48Å; S366-S370 PolarHBondContact O-N 2.88Å; S366-S370 VanDerWaalsContact O-N 3.12Å; S366-S370 PolarHBondContact O-OG 3.15Å; S370-R375 PolarHBondContact O-NH2 2.92Å; S370-R375 PolarHBondContact OG-NE 2.67Å; S370-R375 PolarHBondContact OG-NH2 3.29Å
371S80.4Confident73.8Confident66 Ų6695.9 Ų95.946%0.46251%0.506SS..  trans-58.6149.3166.6172.90000111.3E373 D374 R375S371-E373 VanDerWaalsContact C-N 3.28Å; S371-E373 PolarHBondContact O-N 2.86Å; S371-E373 PolarHBondContact OG-N 2.95Å; S371-D374 WeakPolarHBondContact O-CB 3.34Å; S371-D374 PolarHBondContact O-N 3.41Å; S371-D374 VanDerWaalsContact O-N 3.14Å; S371-R375 PolarHBondContact O-N 3.03Å
372L70Confident73.1Confident127 Ų12796.2 Ų96.267%0.66552%0.515SS*.Hα-helixtrans-60.6-40176.8-165.6153.3000111.2D374 R375 V376L372-D374 VanDerWaalsContact C-N 3.33Å; L372-D374 PolarHBondContact O-N 3.43Å; L372-R375 WeakPolarHBondContact O-CB 3.44Å; L372-R375 PolarHBondContact O-N 3.26Å; L372-V376 HydrophobicContact CD2-CG2 4.22Å; L372-V376 WeakPolarHBondContact O-CG2 3.45Å; L372-V376 PolarHBondContact O-N 2.98Å
373E78.4Confident72.4Confident113 Ų11398 Ų9853%0.52853%0.525SS..Hα-helixtrans-58.8-44.4173.5-177.4-172.9177.300111.8S371 R375 V376 K377S371-E373 VanDerWaalsContact C-N 3.28Å; S371-E373 PolarHBondContact O-N 2.86Å; S371-E373 PolarHBondContact OG-N 2.95Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-V376 PolarHBondContact O-N 3.42Å; E373-K377 HydrophobicContact CG-CD 4.26Å; E373-K377 WeakPolarHBondContact O-CG 3.5Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE1-CE 3.34Å; E373-K377 IonicContact OE1-NZ 3.78Å; E373-K377 PolarHBondContact OE1-NZ 3.15Å
374D76.6Confident71.4Confident62 Ų6299.9 Ų99.933%0.33254%0.536SS..Hα-helixtrans-71.7-30.6-178.3-172.638.9000111.4S371 L372 R378S371-D374 WeakPolarHBondContact O-CB 3.34Å; S371-D374 PolarHBondContact O-N 3.41Å; S371-D374 VanDerWaalsContact O-N 3.14Å; L372-D374 VanDerWaalsContact C-N 3.33Å; L372-D374 PolarHBondContact O-N 3.43Å; D374-R378 WeakPolarHBondContact O-CG 3.43Å; D374-R378 PolarHBondContact O-N 2.9Å; D374-R378 PolarHBondContact O-NH1 3.11Å; D374-R378 IonicContact OD1-CZ 3.08Å; D374-R378 IonicContact OD1-NH1 3.26Å; D374-R378 PolarHBondContact OD1-NH1 3.09Å; D374-R378 IonicContact OD1-NH2 2.85Å; D374-R378 IonicContact OD2-CZ 3.65Å; D374-R378 IonicContact OD2-NH1 2.67Å; D374-R378 PolarHBondContact OD2-NH1 3.04Å; D374-R378 IonicContact OD2-NH2 3.28Å; D374-R378 PolarHBondContact OD2-NH2 2.93Å
375R74.9Confident70.5Confident128 Ų128104.9 Ų104.948%0.48355%0.548SS..Hα-helixtrans-67.6-39.7169.1-125.5176.8-82.4165.3-2111.8A367 S370 S371 L372 E373A367-R375 PolarHBondContact O-NH2 3.03Å; S370-R375 PolarHBondContact O-NH2 2.92Å; S370-R375 PolarHBondContact OG-NE 2.67Å; S370-R375 PolarHBondContact OG-NH2 3.29Å; S371-R375 PolarHBondContact O-N 3.03Å; L372-R375 WeakPolarHBondContact O-CB 3.44Å; L372-R375 PolarHBondContact O-N 3.26Å; E373-R375 VanDerWaalsContact C-N 3.34Å
376V74.6Confident69.7Low77 Ų77103.9 Ų103.947%0.46755%0.55SS..Hα-helixtrans-67.1-49174.31720000110.9L372 E373 R378 N379 I380L372-V376 HydrophobicContact CD2-CG2 4.22Å; L372-V376 WeakPolarHBondContact O-CG2 3.45Å; L372-V376 PolarHBondContact O-N 2.98Å; E373-V376 PolarHBondContact O-N 3.42Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 3.28Å; V376-N379 CarbonylContact O-C 3.58Å; V376-N379 WeakPolarHBondContact O-CA 3.44Å; V376-N379 WeakPolarHBondContact O-CB 3.32Å; V376-N379 PolarHBondContact O-N 2.79Å; V376-I380 HydrophobicContact CG1-CD1 4.17Å; V376-I380 HydrophobicContact CG1-CG1 4.19Å; V376-I380 WeakPolarHBondContact O-CG1 3.4Å; V376-I380 PolarHBondContact O-N 3.23Å
377K75.7Confident69.2Low104 Ų104105.9 Ų105.945%0.45256%0.562SS.*Hα-helixtrans-59.3-37.1-178.2-76.4179-177.3173.60114.2E373 N379 I380 H381E373-K377 HydrophobicContact CG-CD 4.26Å; E373-K377 WeakPolarHBondContact O-CG 3.5Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE1-CE 3.34Å; E373-K377 IonicContact OE1-NZ 3.78Å; E373-K377 PolarHBondContact OE1-NZ 3.15Å; K377-N379 PolarHBondContact O-N 2.93Å; K377-I380 HydrophobicContact CG-CD1 4.37Å; K377-I380 PolarHBondContact O-N 2.86Å; K377-H381 PolarHBondContact O-ND1 2.92Å; K377-H381 VanDerWaalsContact O-ND1 3.11Å
378R73.5Confident68.5Low152 Ų152106.7 Ų106.757%0.57457%0.568SS**Hα-helixtrans-61.3-32.9171.2-73.2-178.5-169.386.1-2.1112.6D374 V376D374-R378 WeakPolarHBondContact O-CG 3.43Å; D374-R378 PolarHBondContact O-N 2.9Å; D374-R378 PolarHBondContact O-NH1 3.11Å; D374-R378 IonicContact OD1-CZ 3.08Å; D374-R378 IonicContact OD1-NH1 3.26Å; D374-R378 PolarHBondContact OD1-NH1 3.09Å; D374-R378 IonicContact OD1-NH2 2.85Å; D374-R378 IonicContact OD2-CZ 3.65Å; D374-R378 IonicContact OD2-NH1 2.67Å; D374-R378 PolarHBondContact OD2-NH1 3.04Å; D374-R378 IonicContact OD2-NH2 3.28Å; D374-R378 PolarHBondContact OD2-NH2 2.93Å; V376-R378 VanDerWaalsContact C-N 3.34Å; V376-R378 PolarHBondContact O-N 3.28Å
379N70.4Confident67.8Low102 Ų102105.2 Ų105.255%0.54555%0.552SS.*Hα-helixtrans-86.9-26-178.4-151.20.4000113.1V376 K377 H381 S382V376-N379 CarbonylContact O-C 3.58Å; V376-N379 WeakPolarHBondContact O-CA 3.44Å; V376-N379 WeakPolarHBondContact O-CB 3.32Å; V376-N379 PolarHBondContact O-N 2.79Å; K377-N379 PolarHBondContact O-N 2.93Å; N379-H381 PolarHBondContact O-N 2.76Å; N379-S382 WeakPolarHBondContact O-CB 3.46Å; N379-S382 PolarHBondContact O-N 2.8Å
380I70.1Confident67Low97 Ų97106.1 Ų106.150%0.49755%0.549SS..Hα-helixtrans-52.2-42.7175.9-71.6176.6000111.8V376 K377V376-I380 HydrophobicContact CG1-CD1 4.17Å; V376-I380 HydrophobicContact CG1-CG1 4.19Å; V376-I380 WeakPolarHBondContact O-CG1 3.4Å; V376-I380 PolarHBondContact O-N 3.23Å; K377-I380 HydrophobicContact CG-CD1 4.37Å; K377-I380 PolarHBondContact O-N 2.86Å
381H60.8Low66.2Low150 Ų150111.4 Ų111.469%0.69458%0.575SS**THydrogen-bonded Turntrans-90.8-10.7-174.4-56.492.6000113.9K377 N379 I383K377-H381 PolarHBondContact O-ND1 2.92Å; K377-H381 VanDerWaalsContact O-ND1 3.11Å; N379-H381 PolarHBondContact O-N 2.76Å; H381-I383 PolarHBondContact O-N 2.99Å
382S59.1Low65.1Low88 Ų88114.9 Ų114.962%0.61559%0.589SS**THydrogen-bonded Turntrans-70.9-22.2173.7-171.60000112.1N379 Q384N379-S382 WeakPolarHBondContact O-CB 3.46Å; N379-S382 PolarHBondContact O-N 2.8Å; S382-Q384 PolarHBondContact O-N 2.7Å; S382-Q384 VanDerWaalsContact O-N 3.1Å
383I58.8Low64.5Low116 Ų116118 Ų11860%0.59560%0.597SS**SBendtrans-85.679.3176-50.9174.2000108.7H381 R385H381-I383 PolarHBondContact O-N 2.99Å; I383-R385 PolarHBondContact O-N 3.01Å
384Q54.8Low63.3Low181 Ų181121.1 Ų121.185%0.84661%0.614SS**  trans-61.1106.1170.6-71.2-172.6-10.700109.7S382 T386S382-Q384 PolarHBondContact O-N 2.7Å; S382-Q384 VanDerWaalsContact O-N 3.1Å; Q384-T386 PolarHBondContact O-N 2.99Å
385R57.1Low62.2Low199 Ų199126.9 Ų126.975%0.75164%0.636SS**  trans-74.7109.9176.9-65.8177.2-177.2-113.62.5108.9I383I383-R385 PolarHBondContact O-N 3.01Å
386T61.4Low60.7Low90 Ų90136.2 Ų136.255%0.55267%0.671SS**  trans-69.1150.1170.255.30000109.9Q384 A388 S389Q384-T386 PolarHBondContact O-N 2.99Å; T386-A388 PolarHBondContact O-N 3.48Å; T386-A388 VanDerWaalsContact O-N 3.15Å; T386-S389 WeakPolarHBondContact O-CB 3.48Å; T386-S389 PolarHBondContact O-N 3.25Å; T386-S389 PolarHBondContact O-OG 3.02Å
387P58.2Low60Low106 Ų106139.2 Ų139.269%0.68868%0.681SS**G310 helixtrans-57.8-33-175.619.6-32.1000113.1S389 L390P387-S389 PolarHBondContact O-N 2.94Å; P387-L390 PolarHBondContact O-N 3.48Å
388A59.4Low59.2Low71 Ų71141 Ų14159%0.58769%0.693SS**G310 helixtrans-59.6-11173.900000115.3T386T386-A388 PolarHBondContact O-N 3.48Å; T386-A388 VanDerWaalsContact O-N 3.15Å
389S60.4Low58.4Low61 Ų61140.4 Ų140.443%0.42770%0.7SS.*G310 helixtrans-88.6-6.2175.168.80000114.5T386 P387T386-S389 WeakPolarHBondContact O-CB 3.48Å; T386-S389 PolarHBondContact O-N 3.25Å; T386-S389 PolarHBondContact O-OG 3.02Å; P387-S389 PolarHBondContact O-N 2.94Å
390L58.3Low57.7Low117 Ų117142.6 Ų142.661%0.61371%0.709SS**THydrogen-bonded Turntrans-95.3-30.9-178.7-62.9175.9000113.5P387 N392P387-L390 PolarHBondContact O-N 3.48Å; L390-N392 PolarHBondContact O-N 3.35Å; L390-N392 VanDerWaalsContact O-N 3.15Å
391D57Low56.9Low132 Ų132145.5 Ų145.571%0.70672%0.722SS**THydrogen-bonded Turntrans-69.4-13.1-171.6-71.1-25.2000115.6
392N57.9Low56.7Low139 Ų139145.2 Ų145.274%0.74372%0.724SS**THydrogen-bonded Turntrans-94.32.3-170.8-72.7-50.7000115.2L390L390-N392 PolarHBondContact O-N 3.35Å; L390-N392 VanDerWaalsContact O-N 3.15Å
393F57.8Low56.5Low193 Ų193149.3 Ų149.385%0.84673%0.732SS**SBendtrans-92.6-14-173.9-159-101.5000115.2
394M52Low56.3Low178 Ų178151.8 Ų151.888%0.87774%0.743SS**SBendtrans-110.321.7-175.2-76.7-71.6-156.700114.3
395K55Low56.4Low184 Ų184149.4 Ų149.480%0.873%0.734SS**  trans-133.873.7176.8-77.6-174176.9174.10113.3
396R42.8Very low56.4Low323 Ų323144.9 Ų144.9100%1.21973%0.733SS**  trans179.90133.7-99.8163.2-169.7-123.30.8111.5

Retrieved 396 of 396 residues in 53.9 ms (Link to these results)