A0A077YZK1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 118 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.8Very low29.2Very low228 Ų228166.6 Ų166.6100%1.12377%0.768SS**  0106.40-174.8173.8172.700107.9
2I21.4Very low29.5Very low156 Ų156164.3 Ų164.380%0.876%0.758SS**  trans-94103.6-176.6-60173.9000107.9M4I2-M4 HydrophobicContact CG2-CG 3.79Å; I2-M4 PolarHBondContact O-N 2.85Å
3T23.1Very low29.9Very low124 Ų124158 Ų15876%0.76172%0.724SS**  trans-85.891.4176.7-35.40000108.9
4M21.8Very low30.6Very low171 Ų171153 Ų15384%0.84271%0.71SS**  trans-82.4134.3174.6-75.1-137.9-85.900112.4I2I2-M4 HydrophobicContact CG2-CG 3.79Å; I2-M4 PolarHBondContact O-N 2.85Å
5R30.6Very low30.9Very low228 Ų228149.2 Ų149.286%0.8670%0.696SS**  trans-66.7135.2-171.3-70.2171.6167173.9-5.9114.2
6K31Very low31.1Very low208 Ų208143.3 Ų143.390%0.90467%0.673SS**SBendtrans-90.85.5174-118.2-179.2-176.6-179.50116.3
7R32.9Very low31.7Very low215 Ų215136.9 Ų136.981%0.81165%0.646SS**SBendtrans-99.9-7.9-167.8-80.4-169.7-178.4-177.11.7117.8
8K31.7Very low32.3Very low159 Ų159132.4 Ų132.469%0.69163%0.629SS**SBendtrans-102.3-10.3-179.6-80.7-167.8175-171.40115.3
9F31.5Very low32.4Very low101 Ų101131.2 Ų131.244%0.44362%0.623SS.*Hα-helixtrans-67-52.9-174.7-153.7-111.8000111.2Q11 Q12 W13F9-Q11 PolarHBondContact O-N 3.07Å; F9-Q12 PolarHBondContact O-N 3.03Å; F9-W13 AromaticContact CD1-CD1 3.34Å; F9-W13 AromaticContact CD1-NE1 3.13Å; F9-W13 HydrophobicContact CD2-CZ2 4.5Å; F9-W13 AromaticContact CD2-NE1 3.14Å; F9-W13 AromaticContact CE1-CD1 3.52Å; F9-W13 AromaticContact CE1-CE2 3.8Å; F9-W13 HydrophobicContact CE1-CZ2 4.25Å; F9-W13 AromaticContact CE1-NE1 3Å; F9-W13 AromaticContact CE2-CE2 3.62Å; F9-W13 AromaticContact CE2-CZ2 3.62Å; F9-W13 HydrophobicContact CE2-CZ2 3.62Å; F9-W13 AromaticContact CE2-NE1 3.02Å; F9-W13 AromaticContact CG-CD1 3.61Å; F9-W13 AromaticContact CG-NE1 3.2Å; F9-W13 AromaticContact CZ-CD1 3.95Å; F9-W13 AromaticContact CZ-CE2 3.44Å; F9-W13 VanDerWaalsContact CZ-CE2 3.44Å; F9-W13 AromaticContact CZ-CZ2 3.47Å; F9-W13 HydrophobicContact CZ-CZ2 3.47Å; F9-W13 VanDerWaalsContact CZ-CZ2 3.47Å; F9-W13 AromaticContact CZ-NE1 2.96Å; F9-W13 PolarHBondContact O-N 3.16Å
10N37Very low32.7Very low111 Ų111126 Ų12659%0.59460%0.6SS**Hα-helixtrans-59-42.8-172.1-80.9-8000114.9Q12 W13 T14N10-Q12 PolarHBondContact O-N 2.95Å; N10-W13 PolarHBondContact O-N 3.22Å; N10-T14 PolarHBondContact O-N 3.17Å; N10-T14 VanDerWaalsContact O-N 3.1Å; N10-T14 PolarHBondContact O-OG1 3.23Å
11Q32.8Very low33.1Very low132 Ų132122.8 Ų122.862%0.61759%0.586SS**Hα-helixtrans-66.5-38.8-176.1-77.8180-22.500112.9F9 I15F9-Q11 PolarHBondContact O-N 3.07Å; Q11-I15 WeakPolarHBondContact O-CD1 3.2Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.28Å; Q11-I15 PolarHBondContact O-N 3.3Å
12Q32Very low33.5Very low138 Ų138118.1 Ų118.165%0.64556%0.559SS**Hα-helixtrans-70.3-38-176.6-155.6169.4-4.600111F9 N10 I15 V16F9-Q12 PolarHBondContact O-N 3.03Å; N10-Q12 PolarHBondContact O-N 2.95Å; Q12-I15 PolarHBondContact O-N 3.09Å; Q12-V16 WeakPolarHBondContact O-CG2 3.36Å; Q12-V16 PolarHBondContact O-N 2.96Å; Q12-V16 VanDerWaalsContact O-N 3.11Å
13W35.7Very low33.9Very low83 Ų83116.2 Ų116.231%0.31455%0.55SS..Hα-helixtrans-72.3-38.9177.7-63120.1000113.5F9 N10 I15 V16 V17 L98F9-W13 AromaticContact CD1-CD1 3.34Å; F9-W13 AromaticContact CD1-NE1 3.13Å; F9-W13 HydrophobicContact CD2-CZ2 4.5Å; F9-W13 AromaticContact CD2-NE1 3.14Å; F9-W13 AromaticContact CE1-CD1 3.52Å; F9-W13 AromaticContact CE1-CE2 3.8Å; F9-W13 HydrophobicContact CE1-CZ2 4.25Å; F9-W13 AromaticContact CE1-NE1 3Å; F9-W13 AromaticContact CE2-CE2 3.62Å; F9-W13 AromaticContact CE2-CZ2 3.62Å; F9-W13 HydrophobicContact CE2-CZ2 3.62Å; F9-W13 AromaticContact CE2-NE1 3.02Å; F9-W13 AromaticContact CG-CD1 3.61Å; F9-W13 AromaticContact CG-NE1 3.2Å; F9-W13 AromaticContact CZ-CD1 3.95Å; F9-W13 AromaticContact CZ-CE2 3.44Å; F9-W13 VanDerWaalsContact CZ-CE2 3.44Å; F9-W13 AromaticContact CZ-CZ2 3.47Å; F9-W13 HydrophobicContact CZ-CZ2 3.47Å; F9-W13 VanDerWaalsContact CZ-CZ2 3.47Å; F9-W13 AromaticContact CZ-NE1 2.96Å; F9-W13 PolarHBondContact O-N 3.16Å; N10-W13 PolarHBondContact O-N 3.22Å; W13-I15 VanDerWaalsContact C-N 3.26Å; W13-I15 PolarHBondContact O-N 3.37Å; W13-V16 PolarHBondContact O-N 3.39Å; W13-V17 WeakPolarHBondContact O-CG2 3.29Å; W13-V17 PolarHBondContact O-N 3.17Å; W13-L98 HydrophobicContact CB-CD2 3.74Å; W13-L98 HydrophobicContact CD2-CD2 3.3Å; W13-L98 HydrophobicContact CE3-CD2 3.05Å; W13-L98 HydrophobicContact CE3-CG 3.99Å; W13-L98 HydrophobicContact CG-CD2 3.6Å; W13-L98 HydrophobicContact CH2-CD2 4.38Å; W13-L98 HydrophobicContact CZ3-CD2 3.63Å; W13-L98 HydrophobicContact CZ3-CG 4.24Å
14T39.2Very low34.5Very low88 Ų88111.1 Ų111.154%0.5452%0.517SS..Hα-helixtrans-58.8-40.8172.7-55.40000111N10 V18N10-T14 PolarHBondContact O-N 3.17Å; N10-T14 VanDerWaalsContact O-N 3.1Å; N10-T14 PolarHBondContact O-OG1 3.23Å; T14-V18 HydrophobicContact CG2-CG2 4.4Å; T14-V18 WeakPolarHBondContact O-CB 3.48Å; T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 3.46Å
15I34.5Very low35.2Very low96 Ų96109.1 Ų109.149%0.49251%0.51SS..Hα-helixtrans-65-43.3177-66.8164.3000111.1Q11 Q12 W13 V18 Q19Q11-I15 WeakPolarHBondContact O-CD1 3.2Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.28Å; Q11-I15 PolarHBondContact O-N 3.3Å; Q12-I15 PolarHBondContact O-N 3.09Å; W13-I15 VanDerWaalsContact C-N 3.26Å; W13-I15 PolarHBondContact O-N 3.37Å; I15-V18 PolarHBondContact O-N 3.08Å; I15-Q19 HydrophobicContact CG2-CG 4.19Å; I15-Q19 VanDerWaalsContact O-CB 3.28Å; I15-Q19 WeakPolarHBondContact O-CB 3.31Å; I15-Q19 VanDerWaalsContact O-CG 3.3Å; I15-Q19 WeakPolarHBondContact O-CG 3.5Å; I15-Q19 PolarHBondContact O-N 3.07Å
16V34.7Very low35.4Very low54 Ų54101.8 Ų101.833%0.32748%0.483SS..Hα-helixtrans-62.5-46.1178.4173.20000111.1Q12 W13 V18 Q19 V20Q12-V16 WeakPolarHBondContact O-CG2 3.36Å; Q12-V16 PolarHBondContact O-N 2.96Å; Q12-V16 VanDerWaalsContact O-N 3.11Å; W13-V16 PolarHBondContact O-N 3.39Å; V16-V18 PolarHBondContact O-N 3.2Å; V16-Q19 PolarHBondContact O-N 2.87Å; V16-V20 HydrophobicContact CG1-CG2 4.3Å; V16-V20 WeakPolarHBondContact O-CB 3.33Å; V16-V20 WeakPolarHBondContact O-CG2 3.3Å; V16-V20 PolarHBondContact O-N 3.28Å
17V41.9Very low35.6Very low36 Ų3695.9 Ų95.922%0.21847%0.466CS..Hα-helixtrans-62.9-44.5178.1175.90000111W13 Q19 V20 L21 L98W13-V17 WeakPolarHBondContact O-CG2 3.29Å; W13-V17 PolarHBondContact O-N 3.17Å; V17-Q19 PolarHBondContact O-N 3Å; V17-V20 PolarHBondContact O-N 3.35Å; V17-L21 HydrophobicContact CG1-CD1 3.98Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 3.24Å; V17-L98 HydrophobicContact CG2-CD1 3.58Å
18V41.6Very low35.6Very low56 Ų5689 Ų8934%0.33944%0.443SS..Hα-helixtrans-66.2-37.3177.8172.70000111.8T14 I15 V16 K22 I63T14-V18 HydrophobicContact CG2-CG2 4.4Å; T14-V18 WeakPolarHBondContact O-CB 3.48Å; T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 3.46Å; I15-V18 PolarHBondContact O-N 3.08Å; V16-V18 PolarHBondContact O-N 3.2Å; V18-K22 HydrophobicContact CG1-CD 4.43Å; V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.43Å; V18-K22 PolarHBondContact O-N 2.85Å; V18-I63 HydrophobicContact CG1-CD1 4.49Å
19Q34Very low35.6Very low109 Ų10983.7 Ų83.751%0.50942%0.423SS..Hα-helixtrans-68.8-43.1176.2-80.3-177.7-27.700111.7I15 V16 V17 L21 K22 I23I15-Q19 HydrophobicContact CG2-CG 4.19Å; I15-Q19 VanDerWaalsContact O-CB 3.28Å; I15-Q19 WeakPolarHBondContact O-CB 3.31Å; I15-Q19 VanDerWaalsContact O-CG 3.3Å; I15-Q19 WeakPolarHBondContact O-CG 3.5Å; I15-Q19 PolarHBondContact O-N 3.07Å; V16-Q19 PolarHBondContact O-N 2.87Å; V17-Q19 PolarHBondContact O-N 3Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.9Å; Q19-K22 PolarHBondContact O-N 2.61Å; Q19-I23 WeakPolarHBondContact O-CB 3.19Å; Q19-I23 WeakPolarHBondContact O-CD1 3.23Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.3Å
20V39Very low35.6Very low26 Ų2681.8 Ų81.816%0.15842%0.422CS..Hα-helixtrans-59.5-46.7175.3169.70000109.9V16 V17 K22 I23 L24 I105V16-V20 HydrophobicContact CG1-CG2 4.3Å; V16-V20 WeakPolarHBondContact O-CB 3.33Å; V16-V20 WeakPolarHBondContact O-CG2 3.3Å; V16-V20 PolarHBondContact O-N 3.28Å; V17-V20 PolarHBondContact O-N 3.35Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-K22 PolarHBondContact O-N 3.13Å; V20-I23 PolarHBondContact O-N 3.04Å; V20-L24 HydrophobicContact CG1-CD1 3.69Å; V20-L24 WeakPolarHBondContact O-CD1 2.82Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 3.31Å; V20-I105 HydrophobicContact CG1-CB 4.24Å; V20-I105 HydrophobicContact CG1-CD1 4.34Å; V20-I105 HydrophobicContact CG1-CG2 3.36Å
21L41.7Very low35.4Very low60 Ų6079.2 Ų79.231%0.31441%0.408SS..Hα-helixtrans-62.7-35.8175.9-68.2170000113.1V17 Q19 L24 V29V17-L21 HydrophobicContact CG1-CD1 3.98Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 3.24Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.32Å; L21-V29 HydrophobicContact CD2-CB 3.93Å; L21-V29 HydrophobicContact CD2-CG1 4.33Å; L21-V29 HydrophobicContact CD2-CG2 3.63Å
22K34.8Very low35.2Very low130 Ų13082.4 Ų82.457%0.56542%0.415SS*.Hα-helixtrans-69.4-36.6173.7-80.3-178.1177.2-176.50113.2V18 Q19 V20 L24V18-K22 HydrophobicContact CG1-CD 4.43Å; V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.43Å; V18-K22 PolarHBondContact O-N 2.85Å; Q19-K22 PolarHBondContact O-N 2.61Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-K22 PolarHBondContact O-N 3.13Å; K22-L24 PolarHBondContact O-N 2.99Å
23I31.3Very low35.1Very low116 Ų11684.3 Ų84.360%0.59542%0.422SS*.Hα-helixtrans-69-19.1178.2-69.7162.3000111.6Q19 V20 K109Q19-I23 WeakPolarHBondContact O-CB 3.19Å; Q19-I23 WeakPolarHBondContact O-CD1 3.23Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.3Å; V20-I23 PolarHBondContact O-N 3.04Å; I23-K109 PolarHBondContact O-NZ 3.38Å
24L35.5Very low34.8Very low16 Ų1685.1 Ų85.18%0.08444%0.44CS..THydrogen-bonded Turntrans-93.6-12.6-174.3-68.6159.1000114.5V20 L21 K22 W26 I105 K109V20-L24 HydrophobicContact CG1-CD1 3.69Å; V20-L24 WeakPolarHBondContact O-CD1 2.82Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 3.31Å; L21-L24 PolarHBondContact O-N 3.32Å; K22-L24 PolarHBondContact O-N 2.99Å; L24-W26 HydrophobicContact CB-CB 4.15Å; L24-W26 HydrophobicContact CB-CD2 4.04Å; L24-W26 HydrophobicContact CB-CE3 3.81Å; L24-W26 HydrophobicContact CB-CG 4.21Å; L24-W26 HydrophobicContact CD1-CE3 3.66Å; L24-W26 HydrophobicContact CD1-CZ3 3.81Å; L24-W26 HydrophobicContact CD2-CE3 4.01Å; L24-W26 HydrophobicContact CD2-CH2 4.29Å; L24-W26 HydrophobicContact CD2-CZ3 3.9Å; L24-W26 HydrophobicContact CG-CE3 4.03Å; L24-W26 HydrophobicContact CG-CZ3 4.3Å; L24-W26 PolarHBondContact O-N 3.41Å; L24-I105 HydrophobicContact CD1-CG2 3.07Å; L24-I105 HydrophobicContact CD2-CG2 4.35Å; L24-I105 HydrophobicContact CG-CG2 4.3Å; L24-K109 HydrophobicContact CD2-CB 3.36Å; L24-K109 HydrophobicContact CD2-CD 3.42Å; L24-K109 VanDerWaalsContact CD2-CD 3.42Å; L24-K109 HydrophobicContact CD2-CG 3.35Å
25D37Very low34.1Very low130 Ų13088.9 Ų88.970%0.69545%0.451SS*.THydrogen-bonded Turntrans38.935.2-169.3-15432.8000112.6P27D25-P27 VanDerWaalsContact O-CD 3.28Å; D25-P27 WeakPolarHBondContact O-CD 3.47Å
26W34Very low33.8Very low74 Ų7490.6 Ų90.628%0.2846%0.461SS..  trans-87.3116.5-177.9-96.8-25.3000108.4L24 H28 V29 I105 Q108L24-W26 HydrophobicContact CB-CB 4.15Å; L24-W26 HydrophobicContact CB-CD2 4.04Å; L24-W26 HydrophobicContact CB-CE3 3.81Å; L24-W26 HydrophobicContact CB-CG 4.21Å; L24-W26 HydrophobicContact CD1-CE3 3.66Å; L24-W26 HydrophobicContact CD1-CZ3 3.81Å; L24-W26 HydrophobicContact CD2-CE3 4.01Å; L24-W26 HydrophobicContact CD2-CH2 4.29Å; L24-W26 HydrophobicContact CD2-CZ3 3.9Å; L24-W26 HydrophobicContact CG-CE3 4.03Å; L24-W26 HydrophobicContact CG-CZ3 4.3Å; L24-W26 PolarHBondContact O-N 3.41Å; W26-H28 PolarHBondContact O-N 3.28Å; W26-V29 HydrophobicContact CB-CG2 3.82Å; W26-V29 HydrophobicContact CD2-CG2 4.12Å; W26-V29 HydrophobicContact CE3-CG2 3.54Å; W26-V29 HydrophobicContact CG-CG2 4.29Å; W26-V29 HydrophobicContact CZ3-CG2 4.42Å; W26-I105 HydrophobicContact CZ3-CG2 4.14Å; W26-Q108 HydrophobicContact CH2-CB 3.62Å; W26-Q108 HydrophobicContact CZ2-CB 4.4Å
27P34.7Very low33.2Very low84 Ų8491.7 Ų91.755%0.54548%0.483SS..SBendtrans-72.9-6.6170.419.4-13.1000112.1D25D25-P27 VanDerWaalsContact O-CD 3.28Å; D25-P27 WeakPolarHBondContact O-CD 3.47Å
28H32.6Very low32.3Very low71 Ų7193.5 Ų93.533%0.32951%0.509SS..  trans-144.966.8-160.5-62.9-44.5000112W26 A71 C75W26-H28 PolarHBondContact O-N 3.28Å; H28-A71 PolarHBondContact CE1-O 2.99Å; H28-A71 VanDerWaalsContact CE1-O 3.3Å; H28-A71 PolarHBondContact NE2-O 3Å; H28-A71 VanDerWaalsContact NE2-O 3.17Å; H28-C75 WeakPolarHBondContact CB-SG 3.4Å; H28-C75 WeakPolarHBondContact ND1-CB 3.15Å; H28-C75 PolarHBondContact ND1-SG 3.04Å
29V32.8Very low31.5Very low47 Ų4798.3 Ų98.329%0.28553%0.533SS..  trans-9991.4161.2-170.40000108L21 W26 L31L21-V29 HydrophobicContact CD2-CB 3.93Å; L21-V29 HydrophobicContact CD2-CG1 4.33Å; L21-V29 HydrophobicContact CD2-CG2 3.63Å; W26-V29 HydrophobicContact CB-CG2 3.82Å; W26-V29 HydrophobicContact CD2-CG2 4.12Å; W26-V29 HydrophobicContact CE3-CG2 3.54Å; W26-V29 HydrophobicContact CG-CG2 4.29Å; W26-V29 HydrophobicContact CZ3-CG2 4.42Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 HydrophobicContact CG1-CD2 3.92Å; V29-L31 HydrophobicContact CG1-CG 3.87Å; V29-L31 PolarHBondContact O-N 3.05Å
30C31.2Very low31Very low60 Ų6098.5 Ų98.541%0.40555%0.546SS..  trans-70.393.4165.4-72.10000108.2Y32C30-Y32 HydrophobicContact CB-CD2 4.35Å; C30-Y32 HydrophobicContact CB-CE2 3.72Å; C30-Y32 VanDerWaalsContact O-CD2 3.3Å; C30-Y32 WeakPolarHBondContact O-CD2 3.21Å; C30-Y32 PolarHBondContact O-N 3Å
31L32.9Very low30.3Very low58 Ų58102.4 Ų102.430%0.30458%0.575SS.*  trans-78.9110.4171.5-70.2169.2000107.6V29 I90 T101V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 HydrophobicContact CG1-CD2 3.92Å; V29-L31 HydrophobicContact CG1-CG 3.87Å; V29-L31 PolarHBondContact O-N 3.05Å; L31-I90 HydrophobicContact CB-CB 4.47Å; L31-I90 HydrophobicContact CB-CD1 3.11Å; L31-I90 HydrophobicContact CB-CG1 4.32Å; L31-I90 HydrophobicContact CD1-CB 3.94Å; L31-I90 HydrophobicContact CD1-CD1 4.03Å; L31-I90 HydrophobicContact CD1-CG2 4.09Å; L31-I90 HydrophobicContact CG-CD1 4.2Å; L31-I90 WeakPolarHBondContact O-CD1 3.43Å; L31-T101 HydrophobicContact CD2-CG2 4.37Å
32Y28.4Very low29.5Very low198 Ų198104.3 Ų104.378%0.77659%0.593SS**  trans-83.3129.5176.5-69-91.2000110.1C30 S34C30-Y32 HydrophobicContact CB-CD2 4.35Å; C30-Y32 HydrophobicContact CB-CE2 3.72Å; C30-Y32 VanDerWaalsContact O-CD2 3.3Å; C30-Y32 WeakPolarHBondContact O-CD2 3.21Å; C30-Y32 PolarHBondContact O-N 3Å; Y32-S34 PolarHBondContact O-N 3.44Å; Y32-S34 VanDerWaalsContact O-N 3.12Å
33K30.7Very low29.1Very low179 Ų179108.5 Ų108.578%0.77861%0.612SS**  trans-75.296.8171.9-173179-177.7179.30109Q35K33-Q35 PolarHBondContact O-N 2.7Å
34S27.9Very low28.9Very low99 Ų99108.2 Ų108.269%0.69262%0.618SS**  trans-78.4110.2163.9-169.90000108.4Y32 L36Y32-S34 PolarHBondContact O-N 3.44Å; Y32-S34 VanDerWaalsContact O-N 3.12Å; S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.39Å
35Q25.9Very low28.5Very low167 Ų167113.1 Ų113.178%0.7865%0.65SS**  trans-69.590167.8-84.5-175.7-16.200108.4K33 G37K33-Q35 PolarHBondContact O-N 2.7Å; Q35-G37 VanDerWaalsContact C-N 3.3Å; Q35-G37 PolarHBondContact O-N 2.8Å
36L26.6Very low28.6Very low132 Ų132118.8 Ų118.869%0.69166%0.662SS**  trans-73.688.9163.5-86.8159.9000109S34S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.39Å
37G22.2Very low28.1Very low78 Ų78124.1 Ų124.180%0.80469%0.69SS**  trans67.4121.2145.200000118.8Q35Q35-G37 VanDerWaalsContact C-N 3.3Å; Q35-G37 PolarHBondContact O-N 2.8Å
38G24.2Very low27.8Very low74 Ų74124.9 Ų124.976%0.76370%0.704SS**  trans156.771.5156.200000115.9
39N23.5Very low27.4Very low156 Ų156128 Ų12883%0.83472%0.723SS**  trans51.7122.3149.6-64.2-1.5000121.3
40S24.8Very low27Very low114 Ų114133.9 Ų133.980%0.79775%0.747SS**  trans71.3116.1135.158.20000120.3
41S24.5Very low26.7Very low107 Ų107139.2 Ų139.275%0.74877%0.766SS**  trans94.4110.1134.5-144.20000118.1
42S23.7Very low26.4Very low101 Ų101143.2 Ų143.271%0.70679%0.793SS**  trans60.895.4137.8-40.80000117.9P44S42-P44 WeakPolarHBondContact O-CD 3.08Å
43F26.6Very low26.2Very low217 Ų217138.7 Ų138.795%0.95278%0.781SS**  trans-87.1126.9155.2-78.2-87.7000110.1
44P28.4Very low26.1Very low111 Ų111135.6 Ų135.672%0.72178%0.779SS**  trans-113.7168.3150.134.7-21.3000110.9S42S42-P44 WeakPolarHBondContact O-CD 3.08Å
45P26.5Very low25.9Very low119 Ų119142 Ų14277%0.77379%0.788SS**  trans-87152.8-144.334.3-34.2000114.8
46R38.6Very low25.8Very low249 Ų249138.8 Ų138.894%0.9479%0.79SS**  trans2.4108.1154.1-157.9174.7-174.11611.1117.3
47E23.1Very low25.7Very low186 Ų186139.4 Ų139.487%0.86979%0.794SS**  trans-154.8115.7150.5-100-177.2111.600109
48A28.1Very low25.9Very low100 Ų100144.8 Ų144.883%0.82679%0.79SS**  trans17698.9146.500000107.9
49D24.5Very low26Very low137 Ų137151.3 Ų151.373%0.73380%0.797SS**  trans-38.5150162.9-70.6-92.8000115.1
50E24.8Very low26.1Very low170 Ų170149.8 Ų149.879%0.79479%0.794SS**  trans37107.4144.9-65.1-175.7101.800118.2
51Q25.4Very low26.2Very low171 Ų171150 Ų15080%0.79979%0.791SS**  trans-152.485.4130.4-112.317493.200110.7I53Q51-I53 VanDerWaalsContact C-N 3.33Å; Q51-I53 HydrophobicContact CG-CD1 4.04Å; Q51-I53 HydrophobicContact CG-CG1 4.13Å; Q51-I53 PolarHBondContact O-N 3.48Å; Q51-I53 VanDerWaalsContact O-N 3.12Å; Q51-I53 VanDerWaalsContact OE1-CD1 3.24Å
52V26Very low26.4Very low143 Ų143148.7 Ų148.787%0.86779%0.786SS**  trans-67.894.6153.5177.70000106.8
53I25.1Very low26.6Very low102 Ų102149 Ų14952%0.52378%0.779SS.*  trans-127.3104.9161.6-54.9-178.3000108Q51 R55Q51-I53 VanDerWaalsContact C-N 3.33Å; Q51-I53 HydrophobicContact CG-CD1 4.04Å; Q51-I53 HydrophobicContact CG-CG1 4.13Å; Q51-I53 PolarHBondContact O-N 3.48Å; Q51-I53 VanDerWaalsContact O-N 3.12Å; Q51-I53 VanDerWaalsContact OE1-CD1 3.24Å; I53-R55 HydrophobicContact CG2-CG 4.15Å; I53-R55 PolarHBondContact O-N 3.31Å
54P27Very low26.6Very low114 Ų114147.5 Ų147.574%0.7478%0.775SS**  trans-74.495.816930.5-28.2000107.5A56P54-A56 PolarHBondContact O-N 3.48Å; P54-A56 VanDerWaalsContact O-N 3.07Å
55R23.7Very low26.7Very low233 Ų233150.8 Ų150.888%0.87977%0.773SS**  trans-7894.7166.1-87.6-168.7171.6167.31109.3I53 D57I53-R55 HydrophobicContact CG2-CG 4.15Å; I53-R55 PolarHBondContact O-N 3.31Å; R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 PolarHBondContact O-N 2.99Å
56A25.5Very low26.6Very low101 Ų101156.6 Ų156.684%0.83578%0.779SS**  trans-56.584.2160.300000110.5P54P54-A56 PolarHBondContact O-N 3.48Å; P54-A56 VanDerWaalsContact O-N 3.07Å
57D24.2Very low26.3Very low145 Ų145149.4 Ų149.478%0.77576%0.763SS**  trans-168.472151.6-144.1-7.1000111.8R55R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 PolarHBondContact O-N 2.99Å
58R26.1Very low26.5Very low191 Ų191144.7 Ų144.772%0.72175%0.749SS**SBendtrans174.6140.5151.2-97.5152.3-168.7178.78.2109.1T60R58-T60 PolarHBondContact O-N 3.41Å; R58-T60 PolarHBondContact O-OG1 2.99Å
59K25.2Very low26.5Very low210 Ų210145.7 Ų145.791%0.91375%0.749SS**  trans-53.973.4176.6-64.5176.7173.7-177.60112.9
60T27.4Very low26.6Very low124 Ų124144.6 Ų144.676%0.76175%0.752SS**  trans-97.185.1165.7-40.70000106.1R58 A62R58-T60 PolarHBondContact O-N 3.41Å; R58-T60 PolarHBondContact O-OG1 2.99Å; T60-A62 PolarHBondContact O-N 3.47Å
61T27.1Very low26.9Very low120 Ų120138.2 Ų138.274%0.73673%0.729SS**  trans-72.590.8163.3-46.10000105.9I63T61-I63 PolarHBondContact O-N 2.86Å
62A27.7Very low27.2Very low78 Ų78133.4 Ų133.465%0.64572%0.718SS**  trans-55.8112.7160.900000106.4T60 E64T60-A62 PolarHBondContact O-N 3.47Å; A62-E64 VanDerWaalsContact C-N 3.25Å; A62-E64 PolarHBondContact O-N 2.94Å; A62-E64 VanDerWaalsContact O-N 3.08Å
63I28.6Very low27.2Very low107 Ų107130.8 Ų130.855%0.54972%0.72SS.*  trans-80.187.1170.8-57.7176.3000105V18 T61 R65V18-I63 HydrophobicContact CG1-CD1 4.49Å; T61-I63 PolarHBondContact O-N 2.86Å; I63-R65 VanDerWaalsContact C-N 3.25Å; I63-R65 HydrophobicContact CG2-CB 4.23Å; I63-R65 PolarHBondContact O-N 3.48Å
64E26.3Very low27.3Very low186 Ų186129.1 Ų129.187%0.86973%0.728SS**  trans-6690.5161.7-75.5-170.1139.500107.6A62A62-E64 VanDerWaalsContact C-N 3.25Å; A62-E64 PolarHBondContact O-N 2.94Å; A62-E64 VanDerWaalsContact O-N 3.08Å
65R30.2Very low27.4Very low180 Ų180125.1 Ų125.168%0.67970%0.702SS**  trans-92.5100.5170.9-149.9170.5176.1171.9-5.7107.4I63 V67I63-R65 VanDerWaalsContact C-N 3.25Å; I63-R65 HydrophobicContact CG2-CB 4.23Å; I63-R65 PolarHBondContact O-N 3.48Å; R65-V67 PolarHBondContact O-N 3.35Å
66R24.7Very low27.6Very low241 Ų241121.6 Ų121.691%0.90970%0.696SS**  trans-54110.2165.2-77-175.3177.4-161.3-1.6107.8
67V31.1Very low28Very low99 Ų99119.4 Ų119.460%0.667%0.673SS**  trans-71.5130.3169.9-162.10000106.7R65 S69R65-V67 PolarHBondContact O-N 3.35Å; V67-S69 PolarHBondContact O-N 3.49Å
68P27.2Very low28.2Very low87 Ų87117 Ų11757%0.56567%0.667SS**  trans-60124.5168.4-16.729.4000108.1S70 A71P68-S70 PolarHBondContact O-N 3.37Å; P68-A71 PolarHBondContact O-N 3.29Å; P68-A71 VanDerWaalsContact O-N 3.16Å
69S29.4Very low28.4Very low120 Ų120114.5 Ų114.584%0.83966%0.659SS**G310 helixtrans-54.7-12.5-179.5-48.40000113.9V67V67-S69 PolarHBondContact O-N 3.49Å
70S26.9Very low28.6Very low114 Ų114110.8 Ų110.880%0.79765%0.649SS**G310 helixtrans-81.7-8-179.3420000115.7P68P68-S70 PolarHBondContact O-N 3.37Å
71A31.4Very low28.7Very low37 Ų37111.9 Ų111.931%0.30665%0.646SS.*G310 helixtrans-102.92.9176.100000114H28 P68 G73H28-A71 PolarHBondContact CE1-O 2.99Å; H28-A71 VanDerWaalsContact CE1-O 3.3Å; H28-A71 PolarHBondContact NE2-O 3Å; H28-A71 VanDerWaalsContact NE2-O 3.17Å; P68-A71 PolarHBondContact O-N 3.29Å; P68-A71 VanDerWaalsContact O-N 3.16Å; A71-G73 PolarHBondContact O-N 3.23Å; A71-G73 VanDerWaalsContact O-N 3.09Å
72A31Very low28.8Very low70 Ų70115.3 Ų115.358%0.57965%0.646SS**THydrogen-bonded Turntrans-73.33.5-175.400000115G74A72-G74 VanDerWaalsContact C-N 3.33Å; A72-G74 PolarHBondContact O-N 3.01Å
73G25.9Very low28.7Very low87 Ų87115.9 Ų115.990%0.89766%0.66SS**THydrogen-bonded Turntrans-77.9-5.2-17500000116.3A71A71-G73 PolarHBondContact O-N 3.23Å; A71-G73 VanDerWaalsContact O-N 3.09Å
74G27.1Very low28.7Very low68 Ų68113.4 Ų113.470%0.70166%0.661SS**SBendtrans-135.1-11.1-17500000115.8A72A72-G74 VanDerWaalsContact C-N 3.33Å; A72-G74 PolarHBondContact O-N 3.01Å
75C29.8Very low29Very low29 Ų29112.7 Ų112.720%0.19666%0.663CS.*  trans-103.892.3161.6-93.70000106.6H28 P77H28-C75 WeakPolarHBondContact CB-SG 3.4Å; H28-C75 WeakPolarHBondContact ND1-CB 3.15Å; H28-C75 PolarHBondContact ND1-SG 3.04Å; C75-P77 WeakPolarHBondContact O-CD 3.43Å
76Q27.9Very low29.1Very low160 Ų160112.1 Ų112.175%0.74867%0.668SS**  trans-84.195.5155.9-157179.4-24.800105.5S78Q76-S78 PolarHBondContact O-N 3.37Å; Q76-S78 VanDerWaalsContact O-N 3.13Å
77P33Very low29.5Very low55 Ų55106 Ų10636%0.35766%0.659SS.*  trans-49.9123.315519.8-29000106C75 Y79C75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-Y79 HydrophobicContact CB-CD1 4.5Å; P77-Y79 HydrophobicContact CB-CD2 3.52Å; P77-Y79 HydrophobicContact CB-CE1 4.34Å; P77-Y79 HydrophobicContact CB-CE2 3.35Å; P77-Y79 HydrophobicContact CB-CG 4.09Å; P77-Y79 HydrophobicContact CG-CD2 3.23Å; P77-Y79 HydrophobicContact CG-CE2 2.93Å; P77-Y79 HydrophobicContact CG-CG 4.26Å; P77-Y79 PolarHBondContact O-N 3.01Å
78S28.8Very low29.6Very low93 Ų93105.5 Ų105.565%0.6567%0.666SS**  trans-64.681.9164.4175.60000106.6Q76Q76-S78 PolarHBondContact O-N 3.37Å; Q76-S78 VanDerWaalsContact O-N 3.13Å
79Y30.2Very low29.9Very low139 Ų139105.8 Ų105.855%0.54568%0.675SS.*  trans-79.4-1.8170.3-79.2-59.6000111.1P77 H81P77-Y79 HydrophobicContact CB-CD1 4.5Å; P77-Y79 HydrophobicContact CB-CD2 3.52Å; P77-Y79 HydrophobicContact CB-CE1 4.34Å; P77-Y79 HydrophobicContact CB-CE2 3.35Å; P77-Y79 HydrophobicContact CB-CG 4.09Å; P77-Y79 HydrophobicContact CG-CD2 3.23Å; P77-Y79 HydrophobicContact CG-CE2 2.93Å; P77-Y79 HydrophobicContact CG-CG 4.26Å; P77-Y79 PolarHBondContact O-N 3.01Å; Y79-H81 PolarHBondContact O-N 3.26Å; Y79-H81 VanDerWaalsContact O-N 3.11Å
80D28.1Very low30.2Very low132 Ų132103.2 Ų103.271%0.70665%0.652SS**THydrogen-bonded Turntrans-73.95.3178.1-77-57.4000114.3
81H31Very low30.6Very low148 Ų148102.8 Ų102.869%0.68564%0.644SS**THydrogen-bonded Turntrans-126-8.6175.9-91.453.8000116.3Y79Y79-H81 PolarHBondContact O-N 3.26Å; Y79-H81 VanDerWaalsContact O-N 3.11Å
82Y28Very low30.9Very low192 Ų192103.3 Ų103.375%0.75364%0.642SS**  trans-148.998.8179.7-69.1-82.8000110.1G84Y82-G84 PolarHBondContact O-N 2.72Å
83G25.9Very low31.3Very low90 Ų90105.7 Ų105.793%0.92865%0.649SS**  trans-61.2119.7170.100000110.5
84G29Very low31.8Very low55 Ų55105.4 Ų105.457%0.56763%0.627SS**  trans158.4110.317400000112.1Y82 E86Y82-G84 PolarHBondContact O-N 2.72Å; G84-E86 PolarHBondContact O-N 3.13Å
85D32.3Very low32.2Very low171 Ų171105 Ų10591%0.91461%0.613SS**  trans-50.799.8160.3-92.9-95.6000110
86E32.5Very low32.7Very low167 Ų167111.3 Ų111.378%0.7864%0.637SS**SBendtrans179.2141.1141-98.4-162.7127.100110.7G84 A88G84-E86 PolarHBondContact O-N 3.13Å; E86-A88 PolarHBondContact O-N 3.07Å
87P33.9Very low33.4Very low112 Ų112106.7 Ų106.773%0.72762%0.616SS**  trans-69.9116.2174.228.2-31.6000110.1A89P87-A89 PolarHBondContact O-N 3.11Å
88A31.8Very low34Very low90 Ų90104.4 Ų104.474%0.74460%0.6SS**  trans-60.4108.617800000111.4E86 I90E86-A88 PolarHBondContact O-N 3.07Å; A88-I90 PolarHBondContact O-N 3.05Å
89A33.4Very low34.7Very low92 Ų92101.7 Ų101.776%0.7659%0.588SS**  trans-65.9119.317100000110.1P87 T91P87-A89 PolarHBondContact O-N 3.11Å; A89-T91 PolarHBondContact O-N 2.9Å
90I36.2Very low35.5Very low67 Ų67103.3 Ų103.334%0.34459%0.593SS.*  trans-87.7111.1-179.2-77154.4000110L31 A88 L92L31-I90 HydrophobicContact CB-CB 4.47Å; L31-I90 HydrophobicContact CB-CD1 3.11Å; L31-I90 HydrophobicContact CB-CG1 4.32Å; L31-I90 HydrophobicContact CD1-CB 3.94Å; L31-I90 HydrophobicContact CD1-CD1 4.03Å; L31-I90 HydrophobicContact CD1-CG2 4.09Å; L31-I90 HydrophobicContact CG-CD1 4.2Å; L31-I90 WeakPolarHBondContact O-CD1 3.43Å; A88-I90 PolarHBondContact O-N 3.05Å; I90-L92 HydrophobicContact CG2-CD2 4.31Å; I90-L92 HydrophobicContact CG2-CG 4.06Å
91T36Very low36.5Very low104 Ų10498.5 Ų98.564%0.63857%0.568SS**  trans-9299.7172.4-51.10000107.7A89 T93A89-T91 PolarHBondContact O-N 2.9Å; T91-T93 HydrophobicContact CG2-CG2 3.89Å; T91-T93 PolarHBondContact O-N 3.21Å
92L37.8Very low37.3Very low49 Ų4993.3 Ų93.326%0.25755%0.549SS..  trans-74.8103.9170.9-71.4165.6000108.5I90 L98 T101I90-L92 HydrophobicContact CG2-CD2 4.31Å; I90-L92 HydrophobicContact CG2-CG 4.06Å; L92-L98 HydrophobicContact CB-CB 4.37Å; L92-L98 HydrophobicContact CB-CD1 3.8Å; L92-L98 HydrophobicContact CD1-CD1 3.41Å; L92-L98 VanDerWaalsContact CD1-CD1 3.41Å; L92-L98 HydrophobicContact CG-CD1 4.23Å; L92-T101 HydrophobicContact CD1-CG2 3.89Å
93T38Very low38.2Very low119 Ų11987 Ų8773%0.7354%0.536SS*.  trans-92.4-13.4-175.749.10000114.1T91T91-T93 HydrophobicContact CG2-CG2 3.89Å; T91-T93 PolarHBondContact O-N 3.21Å
94D36.6Very low39.3Very low81 Ų8189.2 Ų89.243%0.43352%0.517SS..  trans-102.8121.8176.8-171.2-33.4000110.3K96 E97 L98D94-K96 VanDerWaalsContact C-N 3.28Å; D94-K96 PolarHBondContact O-N 3.42Å; D94-K96 WeakPolarHBondContact OD1-CB 3.38Å; D94-K96 PolarHBondContact OD1-N 3.1Å; D94-E97 HydrophobicContact CB-CB 3.98Å; D94-E97 HydrophobicContact CB-CG 3.91Å; D94-E97 PolarHBondContact O-N 3.38Å; D94-L98 WeakPolarHBondContact O-CB 3.41Å; D94-L98 PolarHBondContact O-N 3.12Å
95S35.9Very low40.4Very low59 Ų5987.3 Ų87.341%0.41349%0.494SS..Hα-helixtrans-64.5-28.2-17956.70000114.2G99S95-G99 PolarHBondContact O-N 2.91Å
96K41.3Very low41.1Very low162 Ų16282.8 Ų82.870%0.70447%0.472SS*.Hα-helixtrans-74.6-43175.3-71.8-176.8178.9179.10110.7D94 L98 G99 R100D94-K96 VanDerWaalsContact C-N 3.28Å; D94-K96 PolarHBondContact O-N 3.42Å; D94-K96 WeakPolarHBondContact OD1-CB 3.38Å; D94-K96 PolarHBondContact OD1-N 3.1Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-G99 PolarHBondContact O-N 3.5Å; K96-R100 WeakPolarHBondContact O-CG 3.25Å; K96-R100 PolarHBondContact O-N 3Å
97E42Very low42Very low63 Ų6379.4 Ų79.429%0.29446%0.456SS..Hα-helixtrans-62.5-42174.2-70.4-75.4111.100110.4D94 G99 R100 T101D94-E97 HydrophobicContact CB-CB 3.98Å; D94-E97 HydrophobicContact CB-CG 3.91Å; D94-E97 PolarHBondContact O-N 3.38Å; E97-G99 PolarHBondContact O-N 3.48Å; E97-R100 CarbonylContact O-C 3.56Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 3.11Å; E97-R100 VanDerWaalsContact O-N 3.14Å; E97-R100 IonicContact OE1-NH1 3.37Å; E97-R100 PolarHBondContact OE1-NH1 3.21Å; E97-T101 WeakPolarHBondContact O-CB 3.33Å; E97-T101 PolarHBondContact O-N 3.46Å; E97-T101 PolarHBondContact O-OG1 3.24Å
98L46.1Very low42.7Very low7 Ų776.7 Ų76.74%0.03743%0.434CS..Hα-helixtrans-64.3-39.5176.5-174.863.6000113.3W13 V17 L92 D94 K96 R100 T101 S102W13-L98 HydrophobicContact CB-CD2 3.74Å; W13-L98 HydrophobicContact CD2-CD2 3.3Å; W13-L98 HydrophobicContact CE3-CD2 3.05Å; W13-L98 HydrophobicContact CE3-CG 3.99Å; W13-L98 HydrophobicContact CG-CD2 3.6Å; W13-L98 HydrophobicContact CH2-CD2 4.38Å; W13-L98 HydrophobicContact CZ3-CD2 3.63Å; W13-L98 HydrophobicContact CZ3-CG 4.24Å; V17-L98 HydrophobicContact CG2-CD1 3.58Å; L92-L98 HydrophobicContact CB-CB 4.37Å; L92-L98 HydrophobicContact CB-CD1 3.8Å; L92-L98 HydrophobicContact CD1-CD1 3.41Å; L92-L98 VanDerWaalsContact CD1-CD1 3.41Å; L92-L98 HydrophobicContact CG-CD1 4.23Å; D94-L98 WeakPolarHBondContact O-CB 3.41Å; D94-L98 PolarHBondContact O-N 3.12Å; K96-L98 VanDerWaalsContact C-N 3.32Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-T101 PolarHBondContact O-N 2.97Å; L98-S102 WeakPolarHBondContact O-CB 3.11Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.8Å
99G42.5Very low43.4Very low37 Ų3775 Ų7538%0.38141%0.41SS..Hα-helixtrans-61.6-40.4171.300000112.2S95 K96 E97 S102 A103S95-G99 PolarHBondContact O-N 2.91Å; K96-G99 PolarHBondContact O-N 3.5Å; E97-G99 PolarHBondContact O-N 3.48Å; G99-S102 WeakPolarHBondContact CA-OG 3.28Å; G99-S102 PolarHBondContact O-OG 2.88Å; G99-A103 VanDerWaalsContact O-CB 3.32Å; G99-A103 WeakPolarHBondContact O-CB 3.41Å; G99-A103 PolarHBondContact O-N 3.28Å
100R47.2Very low44Very low173 Ų17375.1 Ų75.165%0.65340%0.398SS*.Hα-helixtrans-68.8-43.5174.5-73.1173.9172.2172.1-5.8112.4K96 E97 L98 A103 Y104K96-R100 WeakPolarHBondContact O-CG 3.25Å; K96-R100 PolarHBondContact O-N 3Å; E97-R100 CarbonylContact O-C 3.56Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 3.11Å; E97-R100 VanDerWaalsContact O-N 3.14Å; E97-R100 IonicContact OE1-NH1 3.37Å; E97-R100 PolarHBondContact OE1-NH1 3.21Å; L98-R100 VanDerWaalsContact C-N 3.33Å; R100-A103 PolarHBondContact O-N 3.39Å; R100-Y104 WeakPolarHBondContact O-CB 3.35Å; R100-Y104 PolarHBondContact O-N 3.34Å
101T48.4Very low44.4Very low31 Ų3176.4 Ų76.419%0.1940%0.401CS..Hα-helixtrans-64.4-42.7179.6-54.70000110.8L31 L92 E97 L98 Y104 I105L31-T101 HydrophobicContact CD2-CG2 4.37Å; L92-T101 HydrophobicContact CD1-CG2 3.89Å; E97-T101 WeakPolarHBondContact O-CB 3.33Å; E97-T101 PolarHBondContact O-N 3.46Å; E97-T101 PolarHBondContact O-OG1 3.24Å; L98-T101 PolarHBondContact O-N 2.97Å; T101-Y104 PolarHBondContact O-N 3.37Å; T101-I105 HydrophobicContact CG2-CD1 3.76Å; T101-I105 HydrophobicContact CG2-CG1 4.44Å; T101-I105 VanDerWaalsContact O-CB 3.28Å; T101-I105 WeakPolarHBondContact O-CB 3.05Å; T101-I105 WeakPolarHBondContact O-CD1 3.3Å; T101-I105 WeakPolarHBondContact O-CG1 3.28Å; T101-I105 PolarHBondContact O-N 2.86Å
102S48.2Very low44.8Very low39 Ų3977.1 Ų77.127%0.27340%0.396SS..Hα-helixtrans-65.7-43.8175.552.70000112.5L98 G99 I105 V106L98-S102 WeakPolarHBondContact O-CB 3.11Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.8Å; G99-S102 WeakPolarHBondContact CA-OG 3.28Å; G99-S102 PolarHBondContact O-OG 2.88Å; S102-I105 PolarHBondContact O-N 3.27Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 2.82Å
103A47.1Very low45.2Very low59 Ų5979.1 Ų79.149%0.48841%0.407SS..Hα-helixtrans-62.7-44.6174.900000112.4G99 R100 I105 V106 E107G99-A103 VanDerWaalsContact O-CB 3.32Å; G99-A103 WeakPolarHBondContact O-CB 3.41Å; G99-A103 PolarHBondContact O-N 3.28Å; R100-A103 PolarHBondContact O-N 3.39Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 2.95Å; A103-V106 PolarHBondContact O-N 3Å; A103-E107 WeakPolarHBondContact O-CB 3.27Å; A103-E107 PolarHBondContact O-N 2.67Å
104Y49.3Very low45.4Very low136 Ų13678.9 Ų78.953%0.53341%0.405SS..Hα-helixtrans-60.2-44.3176179.2-99.1000111.1R100 T101 V106 E107 Q108R100-Y104 WeakPolarHBondContact O-CB 3.35Å; R100-Y104 PolarHBondContact O-N 3.34Å; T101-Y104 PolarHBondContact O-N 3.37Å; Y104-V106 PolarHBondContact O-N 3.06Å; Y104-E107 WeakPolarHBondContact O-CB 3.5Å; Y104-E107 PolarHBondContact O-N 3.44Å; Y104-Q108 HydrophobicContact CD1-CG 4.04Å; Y104-Q108 HydrophobicContact CD2-CG 4.46Å; Y104-Q108 HydrophobicContact CE1-CG 3.68Å; Y104-Q108 HydrophobicContact CE2-CG 4.14Å; Y104-Q108 VanDerWaalsContact CE2-NE2 3.32Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 VanDerWaalsContact O-CG 3.27Å; Y104-Q108 WeakPolarHBondContact O-CG 3.41Å; Y104-Q108 PolarHBondContact O-N 3.33Å
105I51Low45.5Very low16 Ų1681.3 Ų81.38%0.08241%0.414CS..Hα-helixtrans-61.3-45.1177.1-75.7165.6000111.6V20 L24 W26 T101 S102 A103 E107 Q108 K109V20-I105 HydrophobicContact CG1-CB 4.24Å; V20-I105 HydrophobicContact CG1-CD1 4.34Å; V20-I105 HydrophobicContact CG1-CG2 3.36Å; L24-I105 HydrophobicContact CD1-CG2 3.07Å; L24-I105 HydrophobicContact CD2-CG2 4.35Å; L24-I105 HydrophobicContact CG-CG2 4.3Å; W26-I105 HydrophobicContact CZ3-CG2 4.14Å; T101-I105 HydrophobicContact CG2-CD1 3.76Å; T101-I105 HydrophobicContact CG2-CG1 4.44Å; T101-I105 VanDerWaalsContact O-CB 3.28Å; T101-I105 WeakPolarHBondContact O-CB 3.05Å; T101-I105 WeakPolarHBondContact O-CD1 3.3Å; T101-I105 WeakPolarHBondContact O-CG1 3.28Å; T101-I105 PolarHBondContact O-N 2.86Å; S102-I105 PolarHBondContact O-N 3.27Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 2.95Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 3.5Å; I105-Q108 PolarHBondContact O-N 3.39Å; I105-K109 PolarHBondContact O-N 3.46Å
106V48.9Very low45.5Very low76 Ų7684 Ų8446%0.46143%0.429SS..Hα-helixtrans-63.1-40.5176171.70000111.1S102 A103 Y104 K109 N110S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 2.82Å; A103-V106 PolarHBondContact O-N 3Å; Y104-V106 PolarHBondContact O-N 3.06Å; V106-K109 WeakPolarHBondContact O-CB 3.32Å; V106-K109 PolarHBondContact O-N 3.43Å; V106-N110 PolarHBondContact O-N 2.9Å
107E50.3Low45.6Very low95 Ų9586.7 Ų86.744%0.44444%0.435SS..Hα-helixtrans-63.1-45.1176.6-168.6-167.4162.100111.6A103 Y104 I105 K109 N110 K111A103-E107 WeakPolarHBondContact O-CB 3.27Å; A103-E107 PolarHBondContact O-N 2.67Å; Y104-E107 WeakPolarHBondContact O-CB 3.5Å; Y104-E107 PolarHBondContact O-N 3.44Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 3.5Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 2.92Å; E107-N110 PolarHBondContact O-N 2.76Å; E107-K111 WeakPolarHBondContact O-CG 3.49Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact OE1-CE 3.28Å; E107-K111 WeakPolarHBondContact OE1-CE 3.45Å; E107-K111 IonicContact OE1-NZ 2.67Å; E107-K111 PolarHBondContact OE1-NZ 2.82Å
108Q47.8Very low45.5Very low56 Ų5692.7 Ų92.726%0.26248%0.484SS..Hα-helixtrans-65.7-36177.1-66.6-55-36.600111.8W26 Y104 I105 K111 F112W26-Q108 HydrophobicContact CH2-CB 3.62Å; W26-Q108 HydrophobicContact CZ2-CB 4.4Å; Y104-Q108 HydrophobicContact CD1-CG 4.04Å; Y104-Q108 HydrophobicContact CD2-CG 4.46Å; Y104-Q108 HydrophobicContact CE1-CG 3.68Å; Y104-Q108 HydrophobicContact CE2-CG 4.14Å; Y104-Q108 VanDerWaalsContact CE2-NE2 3.32Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 VanDerWaalsContact O-CG 3.27Å; Y104-Q108 WeakPolarHBondContact O-CG 3.41Å; Y104-Q108 PolarHBondContact O-N 3.33Å; I105-Q108 PolarHBondContact O-N 3.39Å; Q108-K111 PolarHBondContact O-N 3.01Å; Q108-F112 PolarHBondContact O-N 3.37Å
109K46.9Very low45.5Very low54 Ų5497 Ų9724%0.23551%0.507CS..Hα-helixtrans-59-51.6171.3-171.3-171.417570.20111.1I23 L24 I105 V106 E107 K111 F112 D113I23-K109 PolarHBondContact O-NZ 3.38Å; L24-K109 HydrophobicContact CD2-CB 3.36Å; L24-K109 HydrophobicContact CD2-CD 3.42Å; L24-K109 VanDerWaalsContact CD2-CD 3.42Å; L24-K109 HydrophobicContact CD2-CG 3.35Å; I105-K109 PolarHBondContact O-N 3.46Å; V106-K109 WeakPolarHBondContact O-CB 3.32Å; V106-K109 PolarHBondContact O-N 3.43Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 2.92Å; K109-K111 PolarHBondContact O-N 3.06Å; K109-F112 PolarHBondContact O-N 3.22Å; K109-D113 VanDerWaalsContact CE-OD2 3.29Å; K109-D113 WeakPolarHBondContact CE-OD2 3.43Å; K109-D113 WeakPolarHBondContact CG-OD2 3.48Å; K109-D113 IonicContact NZ-OD2 3.74Å; K109-D113 PolarHBondContact O-N 3.37Å
110N45.7Very low45.6Very low95 Ų95100.2 Ų100.251%0.50851%0.513SS..Hα-helixtrans-60.7-37.1-178.6-80.2-16.9000111.4V106 E107 T114V106-N110 PolarHBondContact O-N 2.9Å; E107-N110 PolarHBondContact O-N 2.76Å; N110-T114 WeakPolarHBondContact O-CB 3.19Å; N110-T114 VanDerWaalsContact O-CG2 3.31Å; N110-T114 WeakPolarHBondContact O-CG2 3.43Å; N110-T114 PolarHBondContact O-N 2.87Å; N110-T114 VanDerWaalsContact O-N 3.13Å; N110-T114 PolarHBondContact O-OG1 3.14Å
111K44.8Very low45.5Very low93 Ų9396.1 Ų96.140%0.40451%0.506SS..Hα-helixtrans-65.6-39.2174.1-73174.6-175169.10112.4E107 Q108 K109 T114 Q115E107-K111 WeakPolarHBondContact O-CG 3.49Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact OE1-CE 3.28Å; E107-K111 WeakPolarHBondContact OE1-CE 3.45Å; E107-K111 IonicContact OE1-NZ 2.67Å; E107-K111 PolarHBondContact OE1-NZ 2.82Å; Q108-K111 PolarHBondContact O-N 3.01Å; K109-K111 PolarHBondContact O-N 3.06Å; K111-T114 PolarHBondContact O-OG1 3.12Å; K111-Q115 WeakPolarHBondContact O-CG 3.46Å; K111-Q115 PolarHBondContact O-N 3.4Å
112F45.6Very low45.3Very low120 Ų12099.9 Ų99.953%0.52652%0.524SS..Hα-helixtrans-70.1-45.2178.2-172.4-94.9000112.1Q108 K109 T114 Q115Q108-F112 PolarHBondContact O-N 3.37Å; K109-F112 PolarHBondContact O-N 3.22Å; F112-T114 PolarHBondContact O-N 2.96Å; F112-Q115 PolarHBondContact O-N 3.3Å
113D44.8Very low45.2Very low91 Ų91103.8 Ų103.849%0.48754%0.54SS..Hα-helixtrans-67.4-22.5179.1-78.7-32.2000112.9K109K109-D113 VanDerWaalsContact CE-OD2 3.29Å; K109-D113 WeakPolarHBondContact CE-OD2 3.43Å; K109-D113 WeakPolarHBondContact CG-OD2 3.48Å; K109-D113 IonicContact NZ-OD2 3.74Å; K109-D113 PolarHBondContact O-N 3.37Å
114T43.3Very low45Very low113 Ų113106.7 Ų106.769%0.69354%0.543SS*.THydrogen-bonded Turntrans-93.7-5179.150.40000114.2N110 K111 F112N110-T114 WeakPolarHBondContact O-CB 3.19Å; N110-T114 VanDerWaalsContact O-CG2 3.31Å; N110-T114 WeakPolarHBondContact O-CG2 3.43Å; N110-T114 PolarHBondContact O-N 2.87Å; N110-T114 VanDerWaalsContact O-N 3.13Å; N110-T114 PolarHBondContact O-OG1 3.14Å; K111-T114 PolarHBondContact O-OG1 3.12Å; F112-T114 PolarHBondContact O-N 2.96Å
115Q38.4Very low44.7Very low133 Ų133104.6 Ų104.662%0.62154%0.544SS*.SBendtrans-78.6135.1172.2-78.9-173.22.300111K111 F112 R117K111-Q115 WeakPolarHBondContact O-CG 3.46Å; K111-Q115 PolarHBondContact O-N 3.4Å; F112-Q115 PolarHBondContact O-N 3.3Å; Q115-R117 PolarHBondContact O-N 3.03Å
116P35.4Very low44.3Very low114 Ų114111.5 Ų111.574%0.7458%0.579SS**  trans-62.1124.8173.425-30.6000108.8S118P116-S118 PolarHBondContact O-N 3.27Å
117R42.9Very low43.9Very low220 Ų220114.4 Ų114.483%0.8359%0.589SS**  trans-71100.9172.9-67.9-177.6174.1-172.7-2.1107.7Q115Q115-R117 PolarHBondContact O-N 3.03Å
118S40.6Very low43.3Very low189 Ų189116.2 Ų116.2100%1.32260%0.603SS**  trans-68.90170.7-60.90000112P116P116-S118 PolarHBondContact O-N 3.27Å

Retrieved 118 of 118 residues in 116.3 ms (Link to these results)