A0A3B4V9U1_SERDU Loading...

SIX homeobox 6a

AlphaFold DB , UniProt , Accession A0A3B4V9U1, Species SERDU (Seriola dumerili, Greater amberjack), Gene n/a, Length 245 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
1M36.8Very low58Low238 Ų238123.1 Ų123.1100%1.17263%0.628SS**  0135.50-63171-177.800107.2Q3M1-Q3 PolarHBondContact O-N 3.22Å
2F41.2Very low60.4Low210 Ų210124.4 Ų124.492%0.92163%0.63SS**  trans-81.4108.5173.5-77-77.5000109.3L4F2-L4 PolarHBondContact O-N 3.47Å
3Q42Very low62.6Low186 Ų186122.9 Ų122.987%0.86962%0.619SS**  trans-81.496.9177-168.1169.58.800108.1M1M1-Q3 PolarHBondContact O-N 3.22Å
4L47.1Very low64.6Low114 Ų114114.4 Ų114.460%0.59758%0.577SS**  trans-59.9133.4173.5-70.9172.2000109F2 I6F2-L4 PolarHBondContact O-N 3.47Å; L4-I6 PolarHBondContact O-N 3.36Å
5P53.5Low66.4Low90 Ų90107.3 Ų107.358%0.58454%0.542SS*.  trans-63.1131.5176.626.6-33.5000109.3L7P5-L7 HydrophobicContact CB-CD2 4.19Å; P5-L7 HydrophobicContact CG-CD2 4.21Å; P5-L7 HydrophobicContact CG-CG 4.44Å; P5-L7 PolarHBondContact O-N 2.96Å
6I54.5Low67.9Low144 Ų144102.1 Ų102.174%0.73852%0.524SS*.  trans-76.691178.1-54.7175.4000107.6L4 N8L4-I6 PolarHBondContact O-N 3.36Å; I6-N8 PolarHBondContact O-N 3.37Å; I6-N8 VanDerWaalsContact O-N 3.07Å
7L55.5Low69.4Low73 Ų7398.9 Ų98.938%0.38251%0.51SS..  trans-75.698.1-177-59.9177.5000110P5 F9P5-L7 HydrophobicContact CB-CD2 4.19Å; P5-L7 HydrophobicContact CG-CD2 4.21Å; P5-L7 HydrophobicContact CG-CG 4.44Å; P5-L7 PolarHBondContact O-N 2.96Å; L7-F9 HydrophobicContact CB-CD2 3.72Å; L7-F9 HydrophobicContact CB-CE2 3.35Å; L7-F9 HydrophobicContact CB-CZ 3.99Å; L7-F9 HydrophobicContact CD1-CE2 3.63Å; L7-F9 HydrophobicContact CD1-CZ 3.95Å; L7-F9 HydrophobicContact CG-CE2 4.07Å; L7-F9 HydrophobicContact CG-CZ 4.45Å; L7-F9 PolarHBondContact O-N 3.23Å
8N67.1Low70.7Confident147 Ų14793.4 Ų93.479%0.78648%0.482SS*.  trans-80.864.2-175.5-159.936.8000112I6I6-N8 PolarHBondContact O-N 3.37Å; I6-N8 VanDerWaalsContact O-N 3.07Å
9F72.1Confident71.9Confident72 Ų7292.1 Ų92.132%0.31647%0.473SS..  trans-73.6150.4178.4-67.5-64.2000112.8L7 Q13 V14 F33L7-F9 HydrophobicContact CB-CD2 3.72Å; L7-F9 HydrophobicContact CB-CE2 3.35Å; L7-F9 HydrophobicContact CB-CZ 3.99Å; L7-F9 HydrophobicContact CD1-CE2 3.63Å; L7-F9 HydrophobicContact CD1-CZ 3.95Å; L7-F9 HydrophobicContact CG-CE2 4.07Å; L7-F9 HydrophobicContact CG-CZ 4.45Å; L7-F9 PolarHBondContact O-N 3.23Å; F9-Q13 HydrophobicContact CB-CB 4.14Å; F9-Q13 HydrophobicContact CD1-CB 4.11Å; F9-Q13 HydrophobicContact CG-CB 4.49Å; F9-V14 HydrophobicContact CB-CG2 3.58Å; F9-V14 HydrophobicContact CD2-CG2 4.47Å; F9-V14 HydrophobicContact CG-CG2 4.37Å; F9-F33 HydrophobicContact CD2-CE2 4.09Å; F9-F33 HydrophobicContact CD2-CZ 4.44Å; F9-F33 AromaticContact CE2-CE2 3.72Å; F9-F33 HydrophobicContact CE2-CE2 3.72Å; F9-F33 HydrophobicContact CE2-CZ 4.43Å
10S84.3Confident73Confident43 Ų4392.1 Ų92.130%0.30148%0.478SS..  trans-70.9153.9164.3780000111.2Q12 Q13 V14S10-Q12 PolarHBondContact O-N 3.07Å; S10-Q12 VanDerWaalsContact O-N 3.13Å; S10-Q13 WeakPolarHBondContact O-CB 3.27Å; S10-Q13 PolarHBondContact O-N 2.92Å; S10-Q13 WeakPolarHBondContact OG-CG 3.48Å; S10-Q13 PolarHBondContact OG-N 2.97Å; S10-V14 WeakPolarHBondContact O-CG2 3.36Å; S10-V14 PolarHBondContact O-N 3.18Å
11P83.8Confident74Confident37 Ų3788.6 Ų88.624%0.2446%0.46CS..Hα-helixtrans-55.1-32.2176.6-26.735.2000113.8V14 A15 V46 L47P11-V14 PolarHBondContact O-N 2.89Å; P11-A15 WeakPolarHBondContact O-CB 3.34Å; P11-A15 PolarHBondContact O-N 3.42Å; P11-V46 HydrophobicContact CB-CG1 3.88Å; P11-V46 HydrophobicContact CG-CB 4.38Å; P11-V46 HydrophobicContact CG-CG1 3.6Å; P11-L47 HydrophobicContact CB-CD2 4.28Å
12Q87.1Confident76.6Confident139 Ų13977.8 Ų77.865%0.6541%0.406SS*.Hα-helixtrans-71.2-39.1176.1-63.378.4600112.1S10 A15 G16S10-Q12 PolarHBondContact O-N 3.07Å; S10-Q12 VanDerWaalsContact O-N 3.13Å; Q12-A15 PolarHBondContact O-N 3.42Å; Q12-G16 PolarHBondContact O-N 2.98Å
13Q89.5Confident79Confident105 Ų10575.4 Ų75.449%0.49140%0.398SS..Hα-helixtrans-64.6-41.6172.4-73.1168.7-24.900111.1F9 S10 A15 G16 V17F9-Q13 HydrophobicContact CB-CB 4.14Å; F9-Q13 HydrophobicContact CD1-CB 4.11Å; F9-Q13 HydrophobicContact CG-CB 4.49Å; S10-Q13 WeakPolarHBondContact O-CB 3.27Å; S10-Q13 PolarHBondContact O-N 2.92Å; S10-Q13 WeakPolarHBondContact OG-CG 3.48Å; S10-Q13 PolarHBondContact OG-N 2.97Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.18Å; Q13-G16 PolarHBondContact O-N 3.13Å; Q13-V17 VanDerWaalsContact O-CG2 3.32Å; Q13-V17 WeakPolarHBondContact O-CG2 3.16Å; Q13-V17 PolarHBondContact O-N 2.94Å
14V90.2Very high81.4Confident4 Ų470.6 Ų70.62%0.02439%0.385CS..Hα-helixtrans-62-42175.6-179.10000111.2F9 S10 P11 V17 C18 F33 L37 L47 V53F9-V14 HydrophobicContact CB-CG2 3.58Å; F9-V14 HydrophobicContact CD2-CG2 4.47Å; F9-V14 HydrophobicContact CG-CG2 4.37Å; S10-V14 WeakPolarHBondContact O-CG2 3.36Å; S10-V14 PolarHBondContact O-N 3.18Å; P11-V14 PolarHBondContact O-N 2.89Å; V14-V17 PolarHBondContact O-N 2.92Å; V14-C18 WeakPolarHBondContact O-CB 3.44Å; V14-C18 PolarHBondContact O-N 3.3Å; V14-C18 PolarHBondContact O-SG 2.68Å; V14-F33 HydrophobicContact CB-CZ 4.42Å; V14-F33 HydrophobicContact CG1-CE1 3.89Å; V14-F33 HydrophobicContact CG1-CZ 4.01Å; V14-F33 HydrophobicContact CG2-CZ 4.43Å; V14-L37 HydrophobicContact CG1-CD1 3.65Å; V14-L37 HydrophobicContact CG1-CD2 3.81Å; V14-L37 HydrophobicContact CG1-CG 4.41Å; V14-L37 HydrophobicContact CG2-CD2 3.8Å; V14-L47 HydrophobicContact CB-CD2 3.81Å; V14-L47 HydrophobicContact CG1-CD2 3.76Å; V14-L47 HydrophobicContact CG2-CD2 4.07Å; V14-V53 HydrophobicContact CG1-CG2 3.92Å
15A90.8Very high83.5Confident7 Ų767.6 Ų67.66%0.05838%0.381CS..Hα-helixtrans-61.1-49.8176.800000112.7P11 Q12 Q13 V17 C18 E19 N50P11-A15 WeakPolarHBondContact O-CB 3.34Å; P11-A15 PolarHBondContact O-N 3.42Å; Q12-A15 PolarHBondContact O-N 3.42Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.18Å; A15-V17 VanDerWaalsContact C-N 3.33Å; A15-V17 PolarHBondContact O-N 3.49Å; A15-C18 WeakPolarHBondContact O-CA 3.22Å; A15-C18 WeakPolarHBondContact O-CB 3.25Å; A15-C18 PolarHBondContact O-N 2.99Å; A15-C18 VanDerWaalsContact O-N 3.1Å; A15-E19 WeakPolarHBondContact O-CG 3.26Å; A15-E19 PolarHBondContact O-N 2.91Å; A15-N50 WeakPolarHBondContact CB-OD1 3.29Å
16G91.8Very high85.3Confident25 Ų2566 Ų6626%0.25837%0.368SS..Hα-helixtrans-65-32.9178.900000113.8Q12 Q13 T20Q12-G16 PolarHBondContact O-N 2.98Å; Q13-G16 PolarHBondContact O-N 3.13Å; G16-T20 WeakPolarHBondContact O-CB 3.3Å; G16-T20 PolarHBondContact O-N 3.45Å; G16-T20 PolarHBondContact O-OG1 3.32Å
17V92.3Very high87.2Confident48 Ų4860.2 Ų60.229%0.29134%0.34SS..Hα-helixtrans-70.1-38.8171.8174.50000111.1Q13 V14 A15 L21 F33Q13-V17 VanDerWaalsContact O-CG2 3.32Å; Q13-V17 WeakPolarHBondContact O-CG2 3.16Å; Q13-V17 PolarHBondContact O-N 2.94Å; V14-V17 PolarHBondContact O-N 2.92Å; A15-V17 VanDerWaalsContact C-N 3.33Å; A15-V17 PolarHBondContact O-N 3.49Å; V17-L21 HydrophobicContact CG1-CD1 3.77Å; V17-L21 HydrophobicContact CG1-CG 4.31Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.36Å; V17-L21 PolarHBondContact O-N 3.11Å; V17-F33 HydrophobicContact CB-CE1 3.82Å; V17-F33 HydrophobicContact CB-CE2 4.41Å; V17-F33 HydrophobicContact CB-CZ 3.72Å; V17-F33 HydrophobicContact CG1-CD1 3.8Å; V17-F33 HydrophobicContact CG1-CD2 4.09Å; V17-F33 HydrophobicContact CG1-CE1 3.49Å; V17-F33 VanDerWaalsContact CG1-CE1 3.49Å; V17-F33 HydrophobicContact CG1-CE2 3.81Å; V17-F33 HydrophobicContact CG1-CG 4.09Å; V17-F33 HydrophobicContact CG1-CZ 3.49Å; V17-F33 VanDerWaalsContact CG1-CZ 3.49Å; V17-F33 HydrophobicContact CG2-CZ 4.41Å
18C93.6Very high89Confident0 Ų062.2 Ų62.20%035%0.347CS..Hα-helixtrans-60.5-48.6173.1-70.40000111.3V14 A15 L21 E22 L30 A56V14-C18 WeakPolarHBondContact O-CB 3.44Å; V14-C18 PolarHBondContact O-N 3.3Å; V14-C18 PolarHBondContact O-SG 2.68Å; A15-C18 WeakPolarHBondContact O-CA 3.22Å; A15-C18 WeakPolarHBondContact O-CB 3.25Å; A15-C18 PolarHBondContact O-N 2.99Å; A15-C18 VanDerWaalsContact O-N 3.1Å; C18-L21 PolarHBondContact O-N 2.88Å; C18-E22 WeakPolarHBondContact O-CB 3.41Å; C18-E22 PolarHBondContact O-N 3.27Å; C18-L30 HydrophobicContact CB-CD1 4.33Å; C18-A56 HydrophobicContact CB-CB 3.77Å
19E92.9Very high90.2Very high67 Ų6762.5 Ų62.531%0.31334%0.337SS..Hα-helixtrans-55.9-54.3175.9-75.6151.8-165.200111.7A15 L21 E22 E23 S52A15-E19 WeakPolarHBondContact O-CG 3.26Å; A15-E19 PolarHBondContact O-N 2.91Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 3.38Å; E19-E22 PolarHBondContact O-N 3.14Å; E19-E22 VanDerWaalsContact O-N 3.14Å; E19-E23 WeakPolarHBondContact O-CB 3.33Å; E19-E23 WeakPolarHBondContact O-CG 3.44Å; E19-E23 PolarHBondContact O-N 3.47Å; E19-S52 WeakPolarHBondContact OE1-CB 3.35Å; E19-S52 PolarHBondContact OE1-OG 2.94Å
20T94.6Very high91.2Very high92 Ų9259 Ų5956%0.56432%0.322SS*.Hα-helixtrans-58.9-40.3-178.7-52.80000112.8G16 S24G16-T20 WeakPolarHBondContact O-CB 3.3Å; G16-T20 PolarHBondContact O-N 3.45Å; G16-T20 PolarHBondContact O-OG1 3.32Å; T20-S24 WeakPolarHBondContact O-CB 3.4Å; T20-S24 PolarHBondContact O-N 2.92Å; T20-S24 VanDerWaalsContact O-N 3.11Å; T20-S24 PolarHBondContact O-OG 3.39Å
21L93.4Very high91.6Very high19 Ų1957.9 Ų57.910%0.09932%0.316CS..Hα-helixtrans-75.3-32.3178.5-70175.4000112.4V17 C18 E19 S24 G25 D26 R29 L30 F33V17-L21 HydrophobicContact CG1-CD1 3.77Å; V17-L21 HydrophobicContact CG1-CG 4.31Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.36Å; V17-L21 PolarHBondContact O-N 3.11Å; C18-L21 PolarHBondContact O-N 2.88Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 3.38Å; L21-S24 WeakPolarHBondContact CA-OG 3.47Å; L21-S24 PolarHBondContact O-OG 3.41Å; L21-G25 PolarHBondContact O-N 2.93Å; L21-D26 PolarHBondContact O-N 2.88Å; L21-R29 HydrophobicContact CD1-CG 4.39Å; L21-R29 HydrophobicContact CD2-CB 4.34Å; L21-R29 HydrophobicContact CD2-CG 3.99Å; L21-L30 HydrophobicContact CB-CB 4.11Å; L21-L30 HydrophobicContact CB-CD1 3.97Å; L21-L30 HydrophobicContact CB-CG 4.46Å; L21-L30 HydrophobicContact CD1-CB 4.49Å; L21-L30 HydrophobicContact CD1-CD1 4.19Å; L21-F33 HydrophobicContact CD1-CB 4.11Å; L21-F33 HydrophobicContact CD1-CD1 4.33Å; L21-F33 HydrophobicContact CD1-CG 4.32Å
22E91.9Very high92Very high11 Ų1163.4 Ų63.45%0.05133%0.332CS..Hα-helixtrans-76.1-30.6177.2-162.8-164.7127.200112.7C18 E19 L30 R55 V59 K86C18-E22 WeakPolarHBondContact O-CB 3.41Å; C18-E22 PolarHBondContact O-N 3.27Å; E19-E22 PolarHBondContact O-N 3.14Å; E19-E22 VanDerWaalsContact O-N 3.14Å; E22-L30 HydrophobicContact CB-CD2 4.05Å; E22-L30 HydrophobicContact CG-CD2 4.38Å; E22-R55 IonicContact OE1-CZ 3.56Å; E22-R55 IonicContact OE1-NH1 3.77Å; E22-R55 PolarHBondContact OE1-NH1 3.36Å; E22-R55 WeakPolarHBondContact OE2-CG 3.47Å; E22-R55 IonicContact OE2-CZ 3.56Å; E22-R55 IonicContact OE2-NE 3Å; E22-R55 IonicContact OE2-NH1 2.71Å; E22-R55 PolarHBondContact OE2-NH1 2.97Å; E22-V59 HydrophobicContact CG-CG2 4.12Å; E22-K86 VanDerWaalsContact OE1-CE 3.31Å; E22-K86 WeakPolarHBondContact OE1-CE 3.33Å; E22-K86 IonicContact OE1-NZ 2.82Å; E22-K86 PolarHBondContact OE1-NZ 3.15Å
23E91.6Very high92.2Very high161 Ų16157.8 Ų57.875%0.75231%0.306SS*.Hα-helixtrans-75.8-40.2173.2-73.7-178.9177.900112.5E19 G25E19-E23 WeakPolarHBondContact O-CB 3.33Å; E19-E23 WeakPolarHBondContact O-CG 3.44Å; E19-E23 PolarHBondContact O-N 3.47Å; E23-G25 PolarHBondContact O-N 2.84Å
24S92.7Very high92.2Very high85 Ų8554.2 Ų54.259%0.59429%0.29SS*.Hα-helixtrans-73.1-12.8174.455.40000113.9T20 L21 D26T20-S24 WeakPolarHBondContact O-CB 3.4Å; T20-S24 PolarHBondContact O-N 2.92Å; T20-S24 VanDerWaalsContact O-N 3.11Å; T20-S24 PolarHBondContact O-OG 3.39Å; L21-S24 WeakPolarHBondContact CA-OG 3.47Å; L21-S24 PolarHBondContact O-OG 3.41Å; S24-D26 VanDerWaalsContact C-N 3.31Å; S24-D26 PolarHBondContact O-N 3Å
25G89.9Confident92.1Very high50 Ų5064.6 Ų64.652%0.51533%0.329SS..THydrogen-bonded Turntrans788.4176.200000115L21 E23 V27L21-G25 PolarHBondContact O-N 2.93Å; E23-G25 PolarHBondContact O-N 2.84Å; G25-V27 PolarHBondContact O-N 3.4Å
26D92.4Very high91.9Very high57 Ų5766 Ų6631%0.30534%0.338SS..  trans-79.168.8177.4-170.6-8.3000110.8L21 S24 E28 R29 L30L21-D26 PolarHBondContact O-N 2.88Å; S24-D26 VanDerWaalsContact C-N 3.31Å; S24-D26 PolarHBondContact O-N 3Å; D26-E28 PolarHBondContact O-N 2.7Å; D26-R29 HydrophobicContact CB-CB 4.18Å; D26-R29 PolarHBondContact O-N 2.88Å; D26-R29 WeakPolarHBondContact OD1-CB 3.07Å; D26-R29 PolarHBondContact OD1-N 3.4Å; D26-R29 WeakPolarHBondContact OD2-CB 3.26Å; D26-R29 WeakPolarHBondContact OD2-CD 3.42Å; D26-L30 WeakPolarHBondContact O-CB 3.43Å; D26-L30 PolarHBondContact O-N 3.07Å
27V93.7Very high91.5Very high23 Ų2365.9 Ų65.914%0.13933%0.331CS..Hα-helixtrans-64.9-28.6-175.9-174.10000111.9G25 G31 V59 V60 H63G25-V27 PolarHBondContact O-N 3.4Å; V27-G31 PolarHBondContact O-N 3.37Å; V27-V59 HydrophobicContact CG1-CG1 4.03Å; V27-V59 HydrophobicContact CG2-CG1 3.92Å; V27-V60 HydrophobicContact CG1-CG2 3.92Å; V27-H63 HydrophobicContact CG1-CB 3.63Å
28E93.3Very high90.6Very high115 Ų11565.2 Ų65.254%0.53733%0.328SS..Hα-helixtrans-68-45.4174.1-61.8-162.6160.800112D26 L30 G31 R32D26-E28 PolarHBondContact O-N 2.7Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-G31 PolarHBondContact O-N 2.82Å; E28-R32 WeakPolarHBondContact O-CG 3.22Å; E28-R32 PolarHBondContact O-N 2.95Å; E28-R32 IonicContact OE2-CZ 3.2Å; E28-R32 IonicContact OE2-NH1 2.82Å; E28-R32 PolarHBondContact OE2-NH1 2.88Å; E28-R32 IonicContact OE2-NH2 2.7Å; E28-R32 PolarHBondContact OE2-NH2 3.26Å
29R93Very high89.3Confident152 Ų15271.6 Ų71.657%0.57437%0.367SS*.Hα-helixtrans-67.9-34176.6-172.2174.3-175.9168.80.9111.7L21 D26 R32 F33L21-R29 HydrophobicContact CD1-CG 4.39Å; L21-R29 HydrophobicContact CD2-CB 4.34Å; L21-R29 HydrophobicContact CD2-CG 3.99Å; D26-R29 HydrophobicContact CB-CB 4.18Å; D26-R29 PolarHBondContact O-N 2.88Å; D26-R29 WeakPolarHBondContact OD1-CB 3.07Å; D26-R29 PolarHBondContact OD1-N 3.4Å; D26-R29 WeakPolarHBondContact OD2-CB 3.26Å; D26-R29 WeakPolarHBondContact OD2-CD 3.42Å; R29-R32 PolarHBondContact O-N 3.41Å; R29-F33 VanDerWaalsContact O-CB 3.22Å; R29-F33 WeakPolarHBondContact O-CB 3.28Å; R29-F33 PolarHBondContact O-N 2.73Å
30L93.3Very high88.4Confident0 Ų070.9 Ų70.90%037%0.372CS..Hα-helixtrans-60.1-45.1169.8-172.851.3000111.5C18 L21 E22 D26 E28 F33 L34 A56 V60C18-L30 HydrophobicContact CB-CD1 4.33Å; L21-L30 HydrophobicContact CB-CB 4.11Å; L21-L30 HydrophobicContact CB-CD1 3.97Å; L21-L30 HydrophobicContact CB-CG 4.46Å; L21-L30 HydrophobicContact CD1-CB 4.49Å; L21-L30 HydrophobicContact CD1-CD1 4.19Å; E22-L30 HydrophobicContact CB-CD2 4.05Å; E22-L30 HydrophobicContact CG-CD2 4.38Å; D26-L30 WeakPolarHBondContact O-CB 3.43Å; D26-L30 PolarHBondContact O-N 3.07Å; E28-L30 VanDerWaalsContact C-N 3.31Å; L30-F33 PolarHBondContact O-N 2.9Å; L30-L34 HydrophobicContact CD1-CD1 4.21Å; L30-L34 HydrophobicContact CD1-CG 4.29Å; L30-L34 HydrophobicContact CG-CD1 4.13Å; L30-L34 WeakPolarHBondContact O-CB 3.32Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.11Å; L30-A56 HydrophobicContact CD1-CB 3.89Å; L30-A56 HydrophobicContact CD2-CB 3.87Å; L30-A56 HydrophobicContact CG-CB 4.16Å; L30-V60 HydrophobicContact CB-CG2 4.14Å; L30-V60 HydrophobicContact CD2-CG2 4.22Å; L30-V60 HydrophobicContact CG-CG2 3.88Å
31G92.1Very high87.2Confident18 Ų1871.4 Ų71.419%0.18638%0.378CS..Hα-helixtrans-62.2-45.9174.300000113.2V27 E28 F33 L34 W35V27-G31 PolarHBondContact O-N 3.37Å; E28-G31 PolarHBondContact O-N 2.82Å; G31-F33 VanDerWaalsContact C-N 3.33Å; G31-F33 PolarHBondContact O-N 3.4Å; G31-L34 PolarHBondContact O-N 3.33Å; G31-W35 WeakPolarHBondContact O-CB 3.49Å; G31-W35 PolarHBondContact O-N 3.23Å
32R92.3Very high86.3Confident153 Ų15374.2 Ų74.258%0.57740%0.404SS*.Hα-helixtrans-61.4-40.4175-68.8169.6-174.8118.47.8111.9E28 R29 S36E28-R32 WeakPolarHBondContact O-CG 3.22Å; E28-R32 PolarHBondContact O-N 2.95Å; E28-R32 IonicContact OE2-CZ 3.2Å; E28-R32 IonicContact OE2-NH1 2.82Å; E28-R32 PolarHBondContact OE2-NH1 2.88Å; E28-R32 IonicContact OE2-NH2 2.7Å; E28-R32 PolarHBondContact OE2-NH2 3.26Å; R29-R32 PolarHBondContact O-N 3.41Å; R32-S36 PolarHBondContact O-N 3.06Å; R32-S36 VanDerWaalsContact O-N 3.13Å
33F91.4Very high85.4Confident22 Ų2275.3 Ų75.310%0.09641%0.414CS..Hα-helixtrans-64.8-52.8176.9174.4-114000111.5F9 V14 V17 L21 R29 L30 G31 W35 S36 L37F9-F33 HydrophobicContact CD2-CE2 4.09Å; F9-F33 HydrophobicContact CD2-CZ 4.44Å; F9-F33 AromaticContact CE2-CE2 3.72Å; F9-F33 HydrophobicContact CE2-CE2 3.72Å; F9-F33 HydrophobicContact CE2-CZ 4.43Å; V14-F33 HydrophobicContact CB-CZ 4.42Å; V14-F33 HydrophobicContact CG1-CE1 3.89Å; V14-F33 HydrophobicContact CG1-CZ 4.01Å; V14-F33 HydrophobicContact CG2-CZ 4.43Å; V17-F33 HydrophobicContact CB-CE1 3.82Å; V17-F33 HydrophobicContact CB-CE2 4.41Å; V17-F33 HydrophobicContact CB-CZ 3.72Å; V17-F33 HydrophobicContact CG1-CD1 3.8Å; V17-F33 HydrophobicContact CG1-CD2 4.09Å; V17-F33 HydrophobicContact CG1-CE1 3.49Å; V17-F33 VanDerWaalsContact CG1-CE1 3.49Å; V17-F33 HydrophobicContact CG1-CE2 3.81Å; V17-F33 HydrophobicContact CG1-CG 4.09Å; V17-F33 HydrophobicContact CG1-CZ 3.49Å; V17-F33 VanDerWaalsContact CG1-CZ 3.49Å; V17-F33 HydrophobicContact CG2-CZ 4.41Å; L21-F33 HydrophobicContact CD1-CB 4.11Å; L21-F33 HydrophobicContact CD1-CD1 4.33Å; L21-F33 HydrophobicContact CD1-CG 4.32Å; R29-F33 VanDerWaalsContact O-CB 3.22Å; R29-F33 WeakPolarHBondContact O-CB 3.28Å; R29-F33 PolarHBondContact O-N 2.73Å; L30-F33 PolarHBondContact O-N 2.9Å; G31-F33 VanDerWaalsContact C-N 3.33Å; G31-F33 PolarHBondContact O-N 3.4Å; F33-W35 VanDerWaalsContact C-N 3.27Å; F33-W35 PolarHBondContact O-N 3.49Å; F33-S36 WeakPolarHBondContact O-CA 3.42Å; F33-S36 PolarHBondContact O-N 3.11Å; F33-S36 PolarHBondContact O-OG 2.71Å; F33-L37 HydrophobicContact CE1-CD2 4.33Å; F33-L37 HydrophobicContact CE2-CD2 4.12Å; F33-L37 HydrophobicContact CZ-CD2 3.9Å; F33-L37 PolarHBondContact O-N 3.25Å
34L89.8Confident84.6Confident29 Ų2969.8 Ų69.815%0.15239%0.393CS..Hα-helixtrans-58.5-37.7178.1-71.7169.1000112.3L30 G31 S36 L37 V53 A56 R57 V60L30-L34 HydrophobicContact CD1-CD1 4.21Å; L30-L34 HydrophobicContact CD1-CG 4.29Å; L30-L34 HydrophobicContact CG-CD1 4.13Å; L30-L34 WeakPolarHBondContact O-CB 3.32Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.11Å; G31-L34 PolarHBondContact O-N 3.33Å; L34-S36 VanDerWaalsContact C-N 3.31Å; L34-S36 PolarHBondContact O-N 2.88Å; L34-L37 HydrophobicContact CD2-CD1 3.94Å; L34-L37 PolarHBondContact O-N 3.47Å; L34-V53 HydrophobicContact CD2-CG1 4.12Å; L34-A56 HydrophobicContact CD1-CB 4.18Å; L34-R57 HydrophobicContact CD1-CG 3.93Å; L34-R57 HydrophobicContact CD2-CG 4.12Å; L34-V60 HydrophobicContact CD1-CB 4.46Å; L34-V60 HydrophobicContact CD1-CG2 3.99Å
35W88.4Confident84.1Confident223 Ų22371.2 Ų71.285%0.84539%0.39SS*.Hα-helixtrans-68.1-27.1173.9-174.8-90.8000113.6G31 F33G31-W35 WeakPolarHBondContact O-CB 3.49Å; G31-W35 PolarHBondContact O-N 3.23Å; F33-W35 VanDerWaalsContact C-N 3.27Å; F33-W35 PolarHBondContact O-N 3.49Å
36S86.3Confident83.7Confident36 Ų3672.2 Ų72.225%0.25239%0.386SS..Hα-helixtrans-83.1-6.2178.672.90000114.7R32 F33 L34R32-S36 PolarHBondContact O-N 3.06Å; R32-S36 VanDerWaalsContact O-N 3.13Å; F33-S36 WeakPolarHBondContact O-CA 3.42Å; F33-S36 PolarHBondContact O-N 3.11Å; F33-S36 PolarHBondContact O-OG 2.71Å; L34-S36 VanDerWaalsContact C-N 3.31Å; L34-S36 PolarHBondContact O-N 2.88Å
37L83.4Confident83.2Confident22 Ų2270.2 Ų70.212%0.11538%0.376CS..SBendtrans-68.1144.2-178.1-66177.1000111.9V14 F33 L34 V39 L47V14-L37 HydrophobicContact CG1-CD1 3.65Å; V14-L37 HydrophobicContact CG1-CD2 3.81Å; V14-L37 HydrophobicContact CG1-CG 4.41Å; V14-L37 HydrophobicContact CG2-CD2 3.8Å; F33-L37 HydrophobicContact CE1-CD2 4.33Å; F33-L37 HydrophobicContact CE2-CD2 4.12Å; F33-L37 HydrophobicContact CZ-CD2 3.9Å; F33-L37 PolarHBondContact O-N 3.25Å; L34-L37 HydrophobicContact CD2-CD1 3.94Å; L34-L37 PolarHBondContact O-N 3.47Å; L37-V39 PolarHBondContact O-N 2.9Å; L37-L47 HydrophobicContact CD1-CD1 4.32Å
38P72.2Confident82.8Confident35 Ų3571.4 Ų71.423%0.22738%0.381CS..  trans-66.1120.3-176.325.7-34000111.8A40P38-A40 PolarHBondContact O-N 3.38Å
39V67.7Low82.4Confident133 Ų13373 Ų7381%0.80639%0.386SS*.  trans-73.222.5178.8-152.20000113L37L37-V39 PolarHBondContact O-N 2.9Å
40A72.6Confident82.3Confident52 Ų5267.7 Ų67.743%0.4337%0.369SS..  trans-67.6125.2176.100000109.3P38 A42 A43 C44P38-A40 PolarHBondContact O-N 3.38Å; A40-A42 VanDerWaalsContact C-N 3.34Å; A40-A42 PolarHBondContact O-N 3.46Å; A40-A43 HydrophobicContact CB-CB 4.23Å; A40-A43 PolarHBondContact O-N 3.35Å; A40-C44 PolarHBondContact O-N 2.81Å
41P70.9Confident82.3Confident104 Ų10469.8 Ų69.868%0.67538%0.379SS*.Hα-helixtrans-53.5-45.1-169.7-30.935.9000114.5A43 C44 E45P41-A43 PolarHBondContact O-N 3.46Å; P41-C44 PolarHBondContact O-N 3.36Å; P41-E45 PolarHBondContact O-N 3.3Å
42A73.2Confident82.3Confident78 Ų7869.6 Ų69.665%0.64538%0.375SS*.Hα-helixtrans-64.3-35.2178.500000113.4A40 V46A40-A42 VanDerWaalsContact C-N 3.34Å; A40-A42 PolarHBondContact O-N 3.46Å; A42-V46 WeakPolarHBondContact O-CG2 3.45Å; A42-V46 PolarHBondContact O-N 3.32Å
43A72.9Confident82.4Confident34 Ų3462.5 Ų62.528%0.28135%0.348SS..Hα-helixtrans-72.2-43.8174.500000110.8A40 P41 E45 V46 L47A40-A43 HydrophobicContact CB-CB 4.23Å; A40-A43 PolarHBondContact O-N 3.35Å; P41-A43 PolarHBondContact O-N 3.46Å; A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 2.97Å; A43-V46 PolarHBondContact O-N 3.05Å; A43-V46 VanDerWaalsContact O-N 3.14Å; A43-L47 WeakPolarHBondContact O-CB 3.23Å; A43-L47 VanDerWaalsContact O-CG 3.28Å; A43-L47 WeakPolarHBondContact O-CG 3.49Å; A43-L47 PolarHBondContact O-N 2.88Å
44C76.1Confident82.6Confident45 Ų4561.8 Ų61.830%0.30435%0.346SS..Hα-helixtrans-58.1-43177.5-168.10000111.8A40 P41 V46 L47 N48A40-C44 PolarHBondContact O-N 2.81Å; P41-C44 PolarHBondContact O-N 3.36Å; C44-V46 VanDerWaalsContact C-N 3.35Å; C44-V46 PolarHBondContact O-N 3.43Å; C44-L47 PolarHBondContact O-N 3.2Å; C44-N48 WeakPolarHBondContact O-CB 3.5Å; C44-N48 PolarHBondContact O-N 2.82Å; C44-N48 PolarHBondContact O-ND2 3.5Å; C44-N48 VanDerWaalsContact O-ND2 3.11Å; C44-N48 PolarHBondContact SG-ND2 3Å
45E80.6Confident82.8Confident115 Ų11562.1 Ų62.154%0.53735%0.345SS..Hα-helixtrans-60.2-37.9174.9-92.6-158-130.800114.4P41 A43 K49P41-E45 PolarHBondContact O-N 3.3Å; A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 2.97Å; E45-K49 WeakPolarHBondContact O-CD 3.46Å; E45-K49 VanDerWaalsContact O-CE 3.22Å; E45-K49 WeakPolarHBondContact O-CE 3.49Å; E45-K49 VanDerWaalsContact O-CG 3.26Å; E45-K49 WeakPolarHBondContact O-CG 3.28Å; E45-K49 IonicContact OE2-NZ 2.84Å; E45-K49 PolarHBondContact OE2-NZ 3.43Å
46V81.9Confident83.2Confident71 Ų7151.5 Ų51.543%0.4331%0.305SS..Hα-helixtrans-77.9-38179.3179.10000110.7P11 A42 A43 C44 K49 N50P11-V46 HydrophobicContact CB-CG1 3.88Å; P11-V46 HydrophobicContact CG-CB 4.38Å; P11-V46 HydrophobicContact CG-CG1 3.6Å; A42-V46 WeakPolarHBondContact O-CG2 3.45Å; A42-V46 PolarHBondContact O-N 3.32Å; A43-V46 PolarHBondContact O-N 3.05Å; A43-V46 VanDerWaalsContact O-N 3.14Å; C44-V46 VanDerWaalsContact C-N 3.35Å; C44-V46 PolarHBondContact O-N 3.43Å; V46-K49 PolarHBondContact O-N 3.13Å; V46-K49 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-N 3.15Å
47L82.8Confident83.6Confident15 Ų1553.4 Ų53.48%0.07931%0.306CS..Hα-helixtrans-65.5-39.9175.7-69.4170.8000112.1P11 V14 L37 A43 C44 K49 N50 V53P11-L47 HydrophobicContact CB-CD2 4.28Å; V14-L47 HydrophobicContact CB-CD2 3.81Å; V14-L47 HydrophobicContact CG1-CD2 3.76Å; V14-L47 HydrophobicContact CG2-CD2 4.07Å; L37-L47 HydrophobicContact CD1-CD1 4.32Å; A43-L47 WeakPolarHBondContact O-CB 3.23Å; A43-L47 VanDerWaalsContact O-CG 3.28Å; A43-L47 WeakPolarHBondContact O-CG 3.49Å; A43-L47 PolarHBondContact O-N 2.88Å; C44-L47 PolarHBondContact O-N 3.2Å; L47-K49 PolarHBondContact O-N 3.19Å; L47-N50 WeakPolarHBondContact O-CB 3.37Å; L47-N50 PolarHBondContact O-N 2.98Å; L47-V53 HydrophobicContact CB-CG1 4.43Å; L47-V53 HydrophobicContact CD2-CG2 4.21Å
48N84.4Confident84.3Confident48 Ų4852.4 Ų52.426%0.25730%0.301SS..THydrogen-bonded Turntrans-71.2-4174.3-66.1-30.2000113.7C44 R57C44-N48 WeakPolarHBondContact O-CB 3.5Å; C44-N48 PolarHBondContact O-N 2.82Å; C44-N48 PolarHBondContact O-ND2 3.5Å; C44-N48 VanDerWaalsContact O-ND2 3.11Å; C44-N48 PolarHBondContact SG-ND2 3Å; N48-R57 PolarHBondContact OD1-NH1 3.01Å
49K85.9Confident85.4Confident147 Ų14751.5 Ų51.564%0.63930%0.295SS*.THydrogen-bonded Turntrans-101.1-4.7170.3-67.1161.4-164.61590112.2E45 V46 L47E45-K49 WeakPolarHBondContact O-CD 3.46Å; E45-K49 VanDerWaalsContact O-CE 3.22Å; E45-K49 WeakPolarHBondContact O-CE 3.49Å; E45-K49 VanDerWaalsContact O-CG 3.26Å; E45-K49 WeakPolarHBondContact O-CG 3.28Å; E45-K49 IonicContact OE2-NZ 2.84Å; E45-K49 PolarHBondContact OE2-NZ 3.43Å; V46-K49 PolarHBondContact O-N 3.13Å; V46-K49 VanDerWaalsContact O-N 3.15Å; L47-K49 PolarHBondContact O-N 3.19Å
50N90.4Very high86.8Confident41 Ų4146.2 Ų46.222%0.21926%0.263CS..  trans-93.5121.8180-174.3-75.2000111.4A15 V46 L47 S52 V53 L54A15-N50 WeakPolarHBondContact CB-OD1 3.29Å; V46-N50 PolarHBondContact O-N 3.15Å; L47-N50 WeakPolarHBondContact O-CB 3.37Å; L47-N50 PolarHBondContact O-N 2.98Å; N50-S52 PolarHBondContact O-N 3.4Å; N50-S52 PolarHBondContact OD1-N 3.38Å; N50-S52 VanDerWaalsContact OD1-N 3.1Å; N50-V53 HydrophobicContact CB-CB 4.23Å; N50-V53 HydrophobicContact CB-CG2 3.98Å; N50-V53 PolarHBondContact O-N 3.27Å; N50-V53 PolarHBondContact OD1-N 2.96Å; N50-L54 WeakPolarHBondContact O-CG 3.45Å; N50-L54 PolarHBondContact O-N 3.45Å
51E92.7Very high87.9Confident45 Ų4543.9 Ų43.921%0.2124%0.244CC..Hα-helixtrans-61.1-42.6-174.5-173.7165.5139.600113.6V53 L54 R55 F79 T80 S83E51-V53 VanDerWaalsContact C-N 3.34Å; E51-V53 PolarHBondContact O-N 3.34Å; E51-L54 PolarHBondContact O-N 3.45Å; E51-R55 VanDerWaalsContact O-CB 3.26Å; E51-R55 WeakPolarHBondContact O-CB 3.11Å; E51-R55 PolarHBondContact O-N 2.95Å; E51-F79 HydrophobicContact CG-CD1 3.57Å; E51-F79 HydrophobicContact CG-CE1 4.17Å; E51-F79 HydrophobicContact CG-CG 4.5Å; E51-F79 WeakPolarHBondContact OE2-CA 3.14Å; E51-T80 VanDerWaalsContact CD-N 3.27Å; E51-T80 PolarHBondContact OE1-N 3.41Å; E51-T80 PolarHBondContact OE1-OG1 3Å; E51-T80 WeakPolarHBondContact OE2-CG2 3.49Å; E51-T80 PolarHBondContact OE2-N 3.2Å; E51-S83 WeakPolarHBondContact OE1-CB 3.49Å; E51-S83 PolarHBondContact OE1-OG 2.91Å
52S93.4Very high89.2Confident14 Ų1441.1 Ų41.110%0.09822%0.221CC..Hα-helixtrans-69.5-32.2-178.6-64.50000112.6E19 N50 R55 A56E19-S52 WeakPolarHBondContact OE1-CB 3.35Å; E19-S52 PolarHBondContact OE1-OG 2.94Å; N50-S52 PolarHBondContact O-N 3.4Å; N50-S52 PolarHBondContact OD1-N 3.38Å; N50-S52 VanDerWaalsContact OD1-N 3.1Å; S52-R55 PolarHBondContact OG-NH2 2.64Å; S52-A56 VanDerWaalsContact O-CB 3.23Å; S52-A56 WeakPolarHBondContact O-CB 3.09Å; S52-A56 PolarHBondContact O-N 3Å
53V93.6Very high90.3Very high3 Ų343.1 Ų43.12%0.01822%0.217CC..Hα-helixtrans-69.2-41.7171.8-177.80000111.2V14 L34 L47 N50 E51 R57V14-V53 HydrophobicContact CG1-CG2 3.92Å; L34-V53 HydrophobicContact CD2-CG1 4.12Å; L47-V53 HydrophobicContact CB-CG1 4.43Å; L47-V53 HydrophobicContact CD2-CG2 4.21Å; N50-V53 HydrophobicContact CB-CB 4.23Å; N50-V53 HydrophobicContact CB-CG2 3.98Å; N50-V53 PolarHBondContact O-N 3.27Å; N50-V53 PolarHBondContact OD1-N 2.96Å; E51-V53 VanDerWaalsContact C-N 3.34Å; E51-V53 PolarHBondContact O-N 3.34Å; V53-R57 WeakPolarHBondContact O-CB 3.09Å; V53-R57 WeakPolarHBondContact O-CG 3.45Å; V53-R57 PolarHBondContact O-N 3.4Å
54L94.8Very high91.3Very high8 Ų846.1 Ų46.14%0.04223%0.232CC..Hα-helixtrans-64.7-42.4175.3-69.5168.4000112.2N50 E51 R57 A58 I73 H77 F79N50-L54 WeakPolarHBondContact O-CG 3.45Å; N50-L54 PolarHBondContact O-N 3.45Å; E51-L54 PolarHBondContact O-N 3.45Å; L54-R57 PolarHBondContact O-N 2.92Å; L54-A58 PolarHBondContact O-N 3.36Å; L54-I73 HydrophobicContact CB-CG2 4.37Å; L54-I73 HydrophobicContact CD2-CG2 4.41Å; L54-H77 HydrophobicContact CD1-CB 3.76Å; L54-F79 HydrophobicContact CB-CE1 3.87Å; L54-F79 HydrophobicContact CB-CZ 3.99Å
55R95.1Very high92.2Very high36 Ų3646 Ų4614%0.13624%0.238CC..Hα-helixtrans-62.4-46175.9177.7172.447.6102.5-8.6111.3E22 E51 S52 A58 V59 L87E22-R55 IonicContact OE1-CZ 3.56Å; E22-R55 IonicContact OE1-NH1 3.77Å; E22-R55 PolarHBondContact OE1-NH1 3.36Å; E22-R55 WeakPolarHBondContact OE2-CG 3.47Å; E22-R55 IonicContact OE2-CZ 3.56Å; E22-R55 IonicContact OE2-NE 3Å; E22-R55 IonicContact OE2-NH1 2.71Å; E22-R55 PolarHBondContact OE2-NH1 2.97Å; E51-R55 VanDerWaalsContact O-CB 3.26Å; E51-R55 WeakPolarHBondContact O-CB 3.11Å; E51-R55 PolarHBondContact O-N 2.95Å; S52-R55 PolarHBondContact OG-NH2 2.64Å; R55-A58 WeakPolarHBondContact O-CB 3.47Å; R55-A58 PolarHBondContact O-N 3.33Å; R55-V59 WeakPolarHBondContact O-CG2 3.49Å; R55-V59 PolarHBondContact O-N 2.92Å; R55-L87 HydrophobicContact CG-CD2 4.11Å
56A95.8Very high92.9Very high0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-61-43.6173.700000112.9C18 L30 L34 S52 A58 V59 V60C18-A56 HydrophobicContact CB-CB 3.77Å; L30-A56 HydrophobicContact CD1-CB 3.89Å; L30-A56 HydrophobicContact CD2-CB 3.87Å; L30-A56 HydrophobicContact CG-CB 4.16Å; L34-A56 HydrophobicContact CD1-CB 4.18Å; S52-A56 VanDerWaalsContact O-CB 3.23Å; S52-A56 WeakPolarHBondContact O-CB 3.09Å; S52-A56 PolarHBondContact O-N 3Å; A56-A58 VanDerWaalsContact C-N 3.33Å; A56-A58 PolarHBondContact O-N 3.33Å; A56-V59 PolarHBondContact O-N 3.32Å; A56-V60 WeakPolarHBondContact O-CG2 3.38Å; A56-V60 PolarHBondContact O-N 3.02Å
57R95.4Very high93.7Very high76 Ų7641.5 Ų41.529%0.28721%0.214SC..Hα-helixtrans-60.7-40.5173.4-75.7-178.167.5177.31.1112.1L34 N48 V53 L54 V60 A61 E69 I73L34-R57 HydrophobicContact CD1-CG 3.93Å; L34-R57 HydrophobicContact CD2-CG 4.12Å; N48-R57 PolarHBondContact OD1-NH1 3.01Å; V53-R57 WeakPolarHBondContact O-CB 3.09Å; V53-R57 WeakPolarHBondContact O-CG 3.45Å; V53-R57 PolarHBondContact O-N 3.4Å; L54-R57 PolarHBondContact O-N 2.92Å; R57-V60 PolarHBondContact O-N 2.97Å; R57-A61 VanDerWaalsContact O-CB 3.26Å; R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 3.43Å; R57-E69 IonicContact CZ-OE1 2.69Å; R57-E69 IonicContact NE-OE1 3.57Å; R57-E69 IonicContact NH2-OE1 2.71Å; R57-E69 PolarHBondContact NH2-OE1 2.95Å; R57-I73 HydrophobicContact CB-CD1 3.68Å
58A96.9Very high94.3Very high0 Ų051.1 Ų51.10%025%0.249CC..Hα-helixtrans-63.1-42.617500000112.3L54 R55 A56 A61 F62 L70 I73 L74 L87 L90L54-A58 PolarHBondContact O-N 3.36Å; R55-A58 WeakPolarHBondContact O-CB 3.47Å; R55-A58 PolarHBondContact O-N 3.33Å; A56-A58 VanDerWaalsContact C-N 3.33Å; A56-A58 PolarHBondContact O-N 3.33Å; A58-A61 PolarHBondContact O-N 3.43Å; A58-F62 WeakPolarHBondContact O-CB 3.29Å; A58-F62 PolarHBondContact O-N 2.95Å; A58-L70 HydrophobicContact CB-CD1 3.76Å; A58-I73 HydrophobicContact CB-CG2 4.26Å; A58-L74 HydrophobicContact CB-CD2 4.45Å; A58-L87 HydrophobicContact CB-CD2 4.37Å; A58-L90 HydrophobicContact CB-CD1 4.43Å
59V96.4Very high94.9Very high16 Ų1651.8 Ų51.810%0.09725%0.251CS..Hα-helixtrans-61.6-44.6175.2170.20000111.6E22 V27 R55 A56 F62 H63 L90E22-V59 HydrophobicContact CG-CG2 4.12Å; V27-V59 HydrophobicContact CG1-CG1 4.03Å; V27-V59 HydrophobicContact CG2-CG1 3.92Å; R55-V59 WeakPolarHBondContact O-CG2 3.49Å; R55-V59 PolarHBondContact O-N 2.92Å; A56-V59 PolarHBondContact O-N 3.32Å; V59-F62 PolarHBondContact O-N 2.92Å; V59-H63 PolarHBondContact O-N 3.23Å; V59-L90 HydrophobicContact CG2-CD1 3.94Å
60V96.7Very high95.4Very high23 Ų2344.8 Ų44.814%0.13922%0.22CC..Hα-helixtrans-68.3-40.6177.1172.40000111.9V27 L30 L34 A56 R57 F62 H63 T64V27-V60 HydrophobicContact CG1-CG2 3.92Å; L30-V60 HydrophobicContact CB-CG2 4.14Å; L30-V60 HydrophobicContact CD2-CG2 4.22Å; L30-V60 HydrophobicContact CG-CG2 3.88Å; L34-V60 HydrophobicContact CD1-CB 4.46Å; L34-V60 HydrophobicContact CD1-CG2 3.99Å; A56-V60 WeakPolarHBondContact O-CG2 3.38Å; A56-V60 PolarHBondContact O-N 3.02Å; R57-V60 PolarHBondContact O-N 2.97Å; V60-F62 VanDerWaalsContact C-N 3.31Å; V60-F62 PolarHBondContact O-N 2.99Å; V60-H63 PolarHBondContact O-N 3.33Å; V60-T64 HydrophobicContact CG1-CG2 4.22Å; V60-T64 WeakPolarHBondContact O-CB 3.36Å; V60-T64 WeakPolarHBondContact O-CG2 3.26Å; V60-T64 PolarHBondContact O-N 2.92Å; V60-T64 PolarHBondContact O-OG1 2.84Å
61A96.7Very high95.8Very high3 Ų344.1 Ų44.13%0.02522%0.215CC..Hα-helixtrans-62.2-37.9175.700000112.1R57 A58 T64 G65 N66 E69 L70R57-A61 VanDerWaalsContact O-CB 3.26Å; R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 3.43Å; A58-A61 PolarHBondContact O-N 3.43Å; A61-T64 WeakPolarHBondContact CA-OG1 3.42Å; A61-T64 PolarHBondContact O-OG1 2.97Å; A61-G65 PolarHBondContact O-N 3.27Å; A61-N66 CarbonylContact O-C 3.53Å; A61-N66 WeakPolarHBondContact O-CA 3.44Å; A61-N66 PolarHBondContact O-N 2.98Å; A61-E69 HydrophobicContact CB-CB 4.21Å; A61-E69 HydrophobicContact CB-CG 4.35Å; A61-L70 HydrophobicContact CB-CB 4.1Å
62F97.3Very high96Very high45 Ų4547 Ų4720%0.19723%0.228CC..Hα-helixtrans-63.9-52.5171.8177.6-101.2000112.1A58 V59 V60 T64 G65 F67 L70 L90 E93 A94A58-F62 WeakPolarHBondContact O-CB 3.29Å; A58-F62 PolarHBondContact O-N 2.95Å; V59-F62 PolarHBondContact O-N 2.92Å; V60-F62 VanDerWaalsContact C-N 3.31Å; V60-F62 PolarHBondContact O-N 2.99Å; F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.49Å; F62-G65 PolarHBondContact O-N 3.41Å; F62-F67 HydrophobicContact CD2-CD1 4.39Å; F62-F67 AromaticContact CD2-CE1 3.93Å; F62-F67 HydrophobicContact CD2-CE1 3.93Å; F62-F67 HydrophobicContact CE2-CE1 4.26Å; F62-L70 HydrophobicContact CB-CD2 4.15Å; F62-L70 HydrophobicContact CD2-CD2 4.03Å; F62-L90 HydrophobicContact CB-CD2 4Å; F62-L90 HydrophobicContact CD1-CD2 3.7Å; F62-L90 HydrophobicContact CD2-CD2 4.15Å; F62-L90 HydrophobicContact CE1-CD2 4.18Å; F62-L90 HydrophobicContact CG-CD2 3.68Å; F62-E93 HydrophobicContact CE2-CB 4.06Å; F62-E93 HydrophobicContact CE2-CG 4.31Å; F62-E93 HydrophobicContact CZ-CB 4.11Å; F62-E93 HydrophobicContact CZ-CG 3.97Å; F62-A94 HydrophobicContact CD2-CB 4.09Å; F62-A94 HydrophobicContact CE2-CB 4.2Å
63H95.9Very high96.1Very high121 Ų12146.5 Ų46.556%0.5622%0.224SC*.Hα-helixtrans-67.4-27.3-176.3-168.3-67.1000113.4V27 V59 V60 G65V27-H63 HydrophobicContact CG1-CB 3.63Å; V59-H63 PolarHBondContact O-N 3.23Å; V60-H63 PolarHBondContact O-N 3.33Å; H63-G65 VanDerWaalsContact C-N 3.3Å
64T94.4Very high96.2Very high97 Ų9746.3 Ų46.360%0.59522%0.223SC*.THydrogen-bonded Turntrans-83.1-4.2173.353.20000113.4V60 A61 F62 N66V60-T64 HydrophobicContact CG1-CG2 4.22Å; V60-T64 WeakPolarHBondContact O-CB 3.36Å; V60-T64 WeakPolarHBondContact O-CG2 3.26Å; V60-T64 PolarHBondContact O-N 2.92Å; V60-T64 PolarHBondContact O-OG1 2.84Å; A61-T64 WeakPolarHBondContact CA-OG1 3.42Å; A61-T64 PolarHBondContact O-OG1 2.97Å; F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.49Å; T64-N66 PolarHBondContact O-N 3.4Å
65G94.9Very high96.2Very high41 Ų4150.9 Ų50.942%0.42324%0.244SC..THydrogen-bonded Turntrans7210-175.300000114.4A61 F62 H63 F67A61-G65 PolarHBondContact O-N 3.27Å; F62-G65 PolarHBondContact O-N 3.41Å; H63-G65 VanDerWaalsContact C-N 3.3Å; G65-F67 PolarHBondContact O-N 3.24Å
66N96.2Very high96.2Very high65 Ų6554 Ų5435%0.34826%0.264SS..  trans-79.961.9174.2-172.49.7000111A61 T64 R68 E69 L70A61-N66 CarbonylContact O-C 3.53Å; A61-N66 WeakPolarHBondContact O-CA 3.44Å; A61-N66 PolarHBondContact O-N 2.98Å; T64-N66 PolarHBondContact O-N 3.4Å; N66-R68 PolarHBondContact O-N 2.92Å; N66-R68 VanDerWaalsContact O-N 3.11Å; N66-E69 VanDerWaalsContact ND2-CB 3.27Å; N66-E69 WeakPolarHBondContact ND2-CB 3.23Å; N66-E69 PolarHBondContact ND2-OE2 3.46Å; N66-E69 PolarHBondContact O-N 3.36Å; N66-E69 PolarHBondContact OD1-N 2.83Å; N66-L70 PolarHBondContact O-N 2.82Å
67F97.2Very high96.1Very high27 Ų2756.5 Ų56.512%0.11828%0.275CS..Hα-helixtrans-60.1-25.4-177.6-54.2-44.5000113F62 G65 E69 L70 Y71 A94 Q97 E98F62-F67 HydrophobicContact CD2-CD1 4.39Å; F62-F67 AromaticContact CD2-CE1 3.93Å; F62-F67 HydrophobicContact CD2-CE1 3.93Å; F62-F67 HydrophobicContact CE2-CE1 4.26Å; G65-F67 PolarHBondContact O-N 3.24Å; F67-E69 PolarHBondContact O-N 2.95Å; F67-L70 HydrophobicContact CD1-CD2 4.3Å; F67-L70 WeakPolarHBondContact O-CB 3.47Å; F67-L70 PolarHBondContact O-N 3.13Å; F67-Y71 HydrophobicContact CB-CD2 4.47Å; F67-Y71 HydrophobicContact CB-CE1 4.44Å; F67-Y71 HydrophobicContact CB-CE2 3.75Å; F67-Y71 WeakPolarHBondContact O-CD2 3.34Å; F67-Y71 PolarHBondContact O-N 2.99Å; F67-A94 HydrophobicContact CB-CB 4.47Å; F67-A94 HydrophobicContact CD1-CB 3.58Å; F67-A94 HydrophobicContact CE1-CB 3.92Å; F67-A94 HydrophobicContact CG-CB 4.03Å; F67-Q97 HydrophobicContact CE2-CB 4.43Å; F67-Q97 HydrophobicContact CZ-CB 4.18Å; F67-E98 HydrophobicContact CD2-CG 3.55Å; F67-E98 HydrophobicContact CE2-CG 3.95Å; F67-E98 HydrophobicContact CG-CG 4.49Å
68R97.1Very high95.9Very high218 Ų21861.6 Ų61.682%0.82330%0.3SS*.Hα-helixtrans-62.9-40.6174.6-174.9178.3178.6-176.8-0.9112.6N66 H72N66-R68 PolarHBondContact O-N 2.92Å; N66-R68 VanDerWaalsContact O-N 3.11Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.21Å; R68-H72 VanDerWaalsContact O-N 3.11Å
69E95.7Very high95.8Very high62 Ų6262.3 Ų62.329%0.2930%0.303SS..Hα-helixtrans-73.5-38.2175.1-177172.1-178.400111.5R57 A61 N66 F67 Y71 H72 I73R57-E69 IonicContact CZ-OE1 2.69Å; R57-E69 IonicContact NE-OE1 3.57Å; R57-E69 IonicContact NH2-OE1 2.71Å; R57-E69 PolarHBondContact NH2-OE1 2.95Å; A61-E69 HydrophobicContact CB-CB 4.21Å; A61-E69 HydrophobicContact CB-CG 4.35Å; N66-E69 VanDerWaalsContact ND2-CB 3.27Å; N66-E69 WeakPolarHBondContact ND2-CB 3.23Å; N66-E69 PolarHBondContact ND2-OE2 3.46Å; N66-E69 PolarHBondContact O-N 3.36Å; N66-E69 PolarHBondContact OD1-N 2.83Å; F67-E69 PolarHBondContact O-N 2.95Å; E69-Y71 PolarHBondContact O-N 2.94Å; E69-H72 PolarHBondContact O-N 3.29Å; E69-I73 HydrophobicContact CG-CD1 3.84Å; E69-I73 HydrophobicContact CG-CG1 4.31Å; E69-I73 WeakPolarHBondContact O-CG1 3.32Å; E69-I73 PolarHBondContact O-N 3.47Å
70L97.3Very high95.6Very high0 Ų064.9 Ų64.90%032%0.318CS..Hα-helixtrans-54.1-53.6171.8172.566.1000111.2A58 A61 F62 N66 F67 H72 I73 L74 L90 A94A58-L70 HydrophobicContact CB-CD1 3.76Å; A61-L70 HydrophobicContact CB-CB 4.1Å; F62-L70 HydrophobicContact CB-CD2 4.15Å; F62-L70 HydrophobicContact CD2-CD2 4.03Å; N66-L70 PolarHBondContact O-N 2.82Å; F67-L70 HydrophobicContact CD1-CD2 4.3Å; F67-L70 WeakPolarHBondContact O-CB 3.47Å; F67-L70 PolarHBondContact O-N 3.13Å; L70-H72 PolarHBondContact O-N 2.55Å; L70-I73 PolarHBondContact O-N 3.3Å; L70-L74 HydrophobicContact CD1-CD1 3.62Å; L70-L74 HydrophobicContact CD1-CG 4.01Å; L70-L74 HydrophobicContact CG-CD1 4.04Å; L70-L74 WeakPolarHBondContact O-CB 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.11Å; L70-L74 PolarHBondContact O-N 3.4Å; L70-L90 HydrophobicContact CD1-CB 4.2Å; L70-L90 HydrophobicContact CD1-CD1 4.45Å; L70-L90 HydrophobicContact CD2-CB 4.49Å; L70-A94 HydrophobicContact CD2-CB 3.58Å
71Y97.6Very high95.3Very high26 Ų2670.3 Ų70.310%0.10234%0.34CS..Hα-helixtrans-61.6-44.1179.2-54.5-34.1000111.2F67 E69 I73 L74 E75 W91 A94 H95 E98F67-Y71 HydrophobicContact CB-CD2 4.47Å; F67-Y71 HydrophobicContact CB-CE1 4.44Å; F67-Y71 HydrophobicContact CB-CE2 3.75Å; F67-Y71 WeakPolarHBondContact O-CD2 3.34Å; F67-Y71 PolarHBondContact O-N 2.99Å; E69-Y71 PolarHBondContact O-N 2.94Å; Y71-I73 PolarHBondContact O-N 3.21Å; Y71-L74 PolarHBondContact O-N 3.1Å; Y71-E75 WeakPolarHBondContact O-CB 3.37Å; Y71-E75 VanDerWaalsContact O-CG 3.29Å; Y71-E75 WeakPolarHBondContact O-CG 3.41Å; Y71-E75 PolarHBondContact O-N 3.46Å; Y71-W91 HydrophobicContact CD1-CD2 4.43Å; Y71-W91 AromaticContact CD1-CE3 3.76Å; Y71-W91 HydrophobicContact CD1-CE3 3.76Å; Y71-W91 HydrophobicContact CD1-CH2 4.41Å; Y71-W91 AromaticContact CD1-CZ3 3.74Å; Y71-W91 HydrophobicContact CD1-CZ3 3.74Å; Y71-W91 HydrophobicContact CE1-CE3 4.43Å; Y71-W91 HydrophobicContact CG-CZ3 4.2Å; Y71-A94 HydrophobicContact CE1-CB 3.84Å; Y71-A94 WeakPolarHBondContact OH-CB 3.18Å; Y71-H95 AromaticContact CE1-CE1 3.61Å; Y71-H95 AromaticContact CE1-ND1 3.95Å; Y71-H95 AromaticContact CE1-NE2 3.69Å; Y71-H95 AromaticContact CE2-CE1 3.47Å; Y71-H95 VanDerWaalsContact CE2-CE1 3.47Å; Y71-H95 WeakPolarHBondContact CE2-CE1 3.45Å; Y71-H95 AromaticContact CE2-ND1 3.86Å; Y71-H95 AromaticContact CZ-CE1 3.2Å; Y71-H95 AromaticContact CZ-CG 3.96Å; Y71-H95 AromaticContact CZ-ND1 3.34Å; Y71-H95 VanDerWaalsContact CZ-ND1 3.34Å; Y71-H95 AromaticContact CZ-NE2 3.79Å; Y71-H95 PolarHBondContact OH-CE1 3.48Å; Y71-H95 PolarHBondContact OH-N 3.05Å; Y71-H95 PolarHBondContact OH-ND1 3.39Å; Y71-E98 PolarHBondContact OH-OE2 3.2Å
72H96.8Very high95.1Very high106 Ų10678.6 Ų78.649%0.49138%0.378SS..Hα-helixtrans-59.5-45177.2177.960.6000113.1R68 E69 L70 N76R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.21Å; R68-H72 VanDerWaalsContact O-N 3.11Å; E69-H72 PolarHBondContact O-N 3.29Å; L70-H72 PolarHBondContact O-N 2.55Å; H72-N76 PolarHBondContact ND1-ND2 3.06Å; H72-N76 VanDerWaalsContact ND1-ND2 3.2Å; H72-N76 WeakPolarHBondContact O-CB 3.49Å; H72-N76 PolarHBondContact O-N 3.27Å; H72-N76 PolarHBondContact O-ND2 3.47Å
73I95.4Very high94.9Very high3 Ų377 Ų772%0.01537%0.373CS..Hα-helixtrans-60.1-50.7175.5-69.7165.6000109.9L54 R57 A58 E69 L70 Y71 E75 H77 F79L54-I73 HydrophobicContact CB-CG2 4.37Å; L54-I73 HydrophobicContact CD2-CG2 4.41Å; R57-I73 HydrophobicContact CB-CD1 3.68Å; A58-I73 HydrophobicContact CB-CG2 4.26Å; E69-I73 HydrophobicContact CG-CD1 3.84Å; E69-I73 HydrophobicContact CG-CG1 4.31Å; E69-I73 WeakPolarHBondContact O-CG1 3.32Å; E69-I73 PolarHBondContact O-N 3.47Å; L70-I73 PolarHBondContact O-N 3.3Å; Y71-I73 PolarHBondContact O-N 3.21Å; I73-E75 PolarHBondContact O-N 3Å; I73-H77 PolarHBondContact O-N 3.39Å; I73-H77 PolarHBondContact O-ND1 3.46Å; I73-F79 HydrophobicContact CG2-CZ 4.03Å
74L96.5Very high94.8Very high0 Ų072 Ų720%035%0.35CS..Hα-helixtrans-68.7-31.7-174.7-67.4-175.2000113.8A58 L70 Y71 F79 L87 W91 T124 I125A58-L74 HydrophobicContact CB-CD2 4.45Å; L70-L74 HydrophobicContact CD1-CD1 3.62Å; L70-L74 HydrophobicContact CD1-CG 4.01Å; L70-L74 HydrophobicContact CG-CD1 4.04Å; L70-L74 WeakPolarHBondContact O-CB 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.11Å; L70-L74 PolarHBondContact O-N 3.4Å; Y71-L74 PolarHBondContact O-N 3.1Å; L74-F79 HydrophobicContact CD2-CE2 4.14Å; L74-F79 HydrophobicContact CD2-CZ 4.33Å; L74-L87 HydrophobicContact CD2-CB 3.85Å; L74-L87 HydrophobicContact CD2-CD1 3.96Å; L74-L87 HydrophobicContact CD2-CD2 4Å; L74-L87 HydrophobicContact CD2-CG 4.13Å; L74-W91 HydrophobicContact CB-CE3 4.14Å; L74-W91 HydrophobicContact CB-CZ3 4.4Å; L74-W91 HydrophobicContact CD1-CB 4.06Å; L74-W91 HydrophobicContact CD1-CE3 3.98Å; L74-T124 WeakPolarHBondContact O-CB 3.19Å; L74-T124 PolarHBondContact O-OG1 3.1Å; L74-I125 HydrophobicContact CD1-CD1 4.26Å; L74-I125 HydrophobicContact CD2-CG2 4.18Å
75E95.7Very high94.8Very high104 Ų10472.5 Ų72.549%0.48635%0.352SS..Hα-helixtrans-79.4-28.5179.6-73176.6146.400113.6Y71 I73 W91 P122 T124Y71-E75 WeakPolarHBondContact O-CB 3.37Å; Y71-E75 VanDerWaalsContact O-CG 3.29Å; Y71-E75 WeakPolarHBondContact O-CG 3.41Å; Y71-E75 PolarHBondContact O-N 3.46Å; I73-E75 PolarHBondContact O-N 3Å; E75-W91 HydrophobicContact CG-CH2 3.95Å; E75-W91 HydrophobicContact CG-CZ3 3.87Å; E75-P122 HydrophobicContact CG-CB 4.27Å; E75-P122 HydrophobicContact CG-CG 4.36Å; E75-T124 WeakPolarHBondContact O-CG2 3.2Å
76N94.6Very high94.8Very high101 Ų10174.9 Ų74.954%0.5435%0.351SS..Hα-helixtrans-105.8-16-167.1-66.8-87.1000114.6H72H72-N76 PolarHBondContact ND1-ND2 3.06Å; H72-N76 VanDerWaalsContact ND1-ND2 3.2Å; H72-N76 WeakPolarHBondContact O-CB 3.49Å; H72-N76 PolarHBondContact O-N 3.27Å; H72-N76 PolarHBondContact O-ND2 3.47Å
77H93.3Very high94.8Very high52 Ų5271.8 Ų71.824%0.24134%0.335CS..SBendtrans-116.6139-179.3-5281.2000110.6L54 I73 F79 T124L54-H77 HydrophobicContact CD1-CB 3.76Å; I73-H77 PolarHBondContact O-N 3.39Å; I73-H77 PolarHBondContact O-ND1 3.46Å; H77-F79 HydrophobicContact CB-CE2 3.97Å; H77-F79 HydrophobicContact CB-CZ 4.21Å; H77-F79 WeakPolarHBondContact O-CD2 3.49Å; H77-F79 WeakPolarHBondContact O-CE2 3.31Å; H77-T124 WeakPolarHBondContact O-CB 3.48Å; H77-T124 WeakPolarHBondContact O-CG2 3.38Å
78K91.8Very high94.8Very high184 Ų18472.4 Ų72.480%0.834%0.338SS*.  trans-85.9143175.1-67-177180-179.70110.2T124K78-T124 HydrophobicContact CG-CG2 4.28Å
79F93.4Very high94.8Very high15 Ų1564.7 Ų64.77%0.06632%0.321CS..  trans-122.7154-179.7-64.8-94.5000111.5E51 L54 I73 L74 H77 H84 L87 T124 I125E51-F79 HydrophobicContact CG-CD1 3.57Å; E51-F79 HydrophobicContact CG-CE1 4.17Å; E51-F79 HydrophobicContact CG-CG 4.5Å; E51-F79 WeakPolarHBondContact OE2-CA 3.14Å; L54-F79 HydrophobicContact CB-CE1 3.87Å; L54-F79 HydrophobicContact CB-CZ 3.99Å; I73-F79 HydrophobicContact CG2-CZ 4.03Å; L74-F79 HydrophobicContact CD2-CE2 4.14Å; L74-F79 HydrophobicContact CD2-CZ 4.33Å; H77-F79 HydrophobicContact CB-CE2 3.97Å; H77-F79 HydrophobicContact CB-CZ 4.21Å; H77-F79 WeakPolarHBondContact O-CD2 3.49Å; H77-F79 WeakPolarHBondContact O-CE2 3.31Å; F79-H84 PolarHBondContact O-NE2 3.07Å; F79-L87 HydrophobicContact CB-CD1 3.88Å; F79-L87 HydrophobicContact CD1-CD1 3.21Å; F79-L87 HydrophobicContact CD2-CD1 3.72Å; F79-L87 HydrophobicContact CE1-CD1 3.57Å; F79-L87 HydrophobicContact CE2-CD1 4.03Å; F79-L87 HydrophobicContact CG-CD1 3.31Å; F79-L87 HydrophobicContact CZ-CD1 3.97Å; F79-T124 PolarHBondContact N-O 3.14Å; F79-I125 HydrophobicContact CB-CG2 4.4Å; F79-I125 HydrophobicContact CD2-CG2 3.6Å; F79-I125 HydrophobicContact CE2-CG2 4.25Å; F79-I125 HydrophobicContact CG-CG2 4.24Å
80T92.7Very high94.9Very high70 Ų7062.8 Ų62.843%0.42931%0.312SS..  trans-67157.1169.463.60000112E51 E82 S83 H84E51-T80 VanDerWaalsContact CD-N 3.27Å; E51-T80 PolarHBondContact OE1-N 3.41Å; E51-T80 PolarHBondContact OE1-OG1 3Å; E51-T80 WeakPolarHBondContact OE2-CG2 3.49Å; E51-T80 PolarHBondContact OE2-N 3.2Å; T80-E82 PolarHBondContact O-N 3.23Å; T80-E82 VanDerWaalsContact O-N 3.17Å; T80-S83 PolarHBondContact O-N 2.88Å; T80-S83 VanDerWaalsContact O-N 3.16Å; T80-H84 PolarHBondContact O-CD2 3.21Å; T80-H84 PolarHBondContact O-N 3.28Å
81K90.9Very high94.9Very high136 Ų13663.2 Ų63.259%0.59131%0.314SS*.Hα-helixtrans-63.6-21.1-178.8-57.9-160.2-178.1-160.70113.8D127K81-D127 WeakPolarHBondContact CE-OD1 3.34Å; K81-D127 VanDerWaalsContact CE-OD2 3.27Å; K81-D127 WeakPolarHBondContact CE-OD2 3.22Å; K81-D127 IonicContact NZ-OD1 2.65Å; K81-D127 IonicContact NZ-OD2 2.69Å; K81-D127 PolarHBondContact NZ-OD2 3.45Å
82E91.6Very high94.9Very high178 Ų17863.7 Ų63.783%0.83232%0.318SS*.Hα-helixtrans-68.7-47.6175.3-66.1170.1-155.600110.4T80 H84T80-E82 PolarHBondContact O-N 3.23Å; T80-E82 VanDerWaalsContact O-N 3.17Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 3.13Å
83S93.2Very high94.9Very high11 Ų1162 Ų628%0.07731%0.311CS..Hα-helixtrans-65.2-32.4173.6-67.80000113.6E51 T80 T85 K86 L87E51-S83 WeakPolarHBondContact OE1-CB 3.49Å; E51-S83 PolarHBondContact OE1-OG 2.91Å; T80-S83 PolarHBondContact O-N 2.88Å; T80-S83 VanDerWaalsContact O-N 3.16Å; S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 3.44Å; S83-K86 PolarHBondContact O-N 3.12Å; S83-K86 VanDerWaalsContact O-N 3.08Å; S83-L87 WeakPolarHBondContact O-CG 3.41Å; S83-L87 PolarHBondContact O-N 2.85Å; S83-L87 VanDerWaalsContact O-N 3.12Å
84H94.6Very high95Very high16 Ų1661.9 Ų61.97%0.07431%0.31CS..Hα-helixtrans-47.4-50.8-172.4-79.4-168.3000113F79 T80 E82 K86 L87 Q88 I125 D127F79-H84 PolarHBondContact O-NE2 3.07Å; T80-H84 PolarHBondContact O-CD2 3.21Å; T80-H84 PolarHBondContact O-N 3.28Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 3.13Å; H84-K86 VanDerWaalsContact C-N 3.29Å; H84-K86 PolarHBondContact O-N 3.39Å; H84-L87 PolarHBondContact O-N 2.79Å; H84-Q88 WeakPolarHBondContact O-CB 3.26Å; H84-Q88 WeakPolarHBondContact O-CG 3.42Å; H84-Q88 PolarHBondContact O-N 3.43Å; H84-I125 PolarHBondContact ND1-O 3.13Å; H84-D127 IonicContact CE1-OD1 3.84Å
85T94.7Very high95.1Very high107 Ų10762.2 Ų62.266%0.65631%0.312SS*.Hα-helixtrans-57-41.2-176.3-54.70000112.6S83 A89S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 3.44Å; T85-A89 PolarHBondContact O-N 3.4Å
86K94.6Very high95.2Very high91 Ų9158.2 Ų58.240%0.39629%0.292SS..Hα-helixtrans-71.9-43.1179.5-166.4171.2-171.6174.70111.2E22 S83 H84 A89 L90E22-K86 VanDerWaalsContact OE1-CE 3.31Å; E22-K86 WeakPolarHBondContact OE1-CE 3.33Å; E22-K86 IonicContact OE1-NZ 2.82Å; E22-K86 PolarHBondContact OE1-NZ 3.15Å; S83-K86 PolarHBondContact O-N 3.12Å; S83-K86 VanDerWaalsContact O-N 3.08Å; H84-K86 VanDerWaalsContact C-N 3.29Å; H84-K86 PolarHBondContact O-N 3.39Å; K86-A89 WeakPolarHBondContact O-CB 3.38Å; K86-A89 PolarHBondContact O-N 3.12Å; K86-L90 WeakPolarHBondContact O-CG 3.44Å; K86-L90 PolarHBondContact O-N 2.94Å; K86-L90 VanDerWaalsContact O-N 3.11Å
87L96.6Very high95.3Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-71.7-35.7-178.2-58.6-179.3000112.8R55 A58 L74 F79 S83 H84 A89 L90 W91 I125R55-L87 HydrophobicContact CG-CD2 4.11Å; A58-L87 HydrophobicContact CB-CD2 4.37Å; L74-L87 HydrophobicContact CD2-CB 3.85Å; L74-L87 HydrophobicContact CD2-CD1 3.96Å; L74-L87 HydrophobicContact CD2-CD2 4Å; L74-L87 HydrophobicContact CD2-CG 4.13Å; F79-L87 HydrophobicContact CB-CD1 3.88Å; F79-L87 HydrophobicContact CD1-CD1 3.21Å; F79-L87 HydrophobicContact CD2-CD1 3.72Å; F79-L87 HydrophobicContact CE1-CD1 3.57Å; F79-L87 HydrophobicContact CE2-CD1 4.03Å; F79-L87 HydrophobicContact CG-CD1 3.31Å; F79-L87 HydrophobicContact CZ-CD1 3.97Å; S83-L87 WeakPolarHBondContact O-CG 3.41Å; S83-L87 PolarHBondContact O-N 2.85Å; S83-L87 VanDerWaalsContact O-N 3.12Å; H84-L87 PolarHBondContact O-N 2.79Å; L87-A89 VanDerWaalsContact C-N 3.3Å; L87-A89 PolarHBondContact O-N 3.49Å; L87-L90 HydrophobicContact CD2-CD1 4.11Å; L87-L90 PolarHBondContact O-N 3.2Å; L87-W91 PolarHBondContact O-N 3.02Å; L87-I125 HydrophobicContact CB-CB 4.43Å; L87-I125 HydrophobicContact CB-CD1 4.26Å; L87-I125 HydrophobicContact CB-CG2 4Å; L87-I125 HydrophobicContact CD1-CG2 3.92Å
88Q96.6Very high95.5Very high40 Ų4058.2 Ų58.219%0.18729%0.289CS..Hα-helixtrans-61.6-39171.2-69.3172.221.300111.3H84 L92 L121 I125H84-Q88 WeakPolarHBondContact O-CB 3.26Å; H84-Q88 WeakPolarHBondContact O-CG 3.42Å; H84-Q88 PolarHBondContact O-N 3.43Å; Q88-L92 WeakPolarHBondContact O-CB 3.24Å; Q88-L92 WeakPolarHBondContact O-CG 3.46Å; Q88-L92 PolarHBondContact O-N 3.43Å; Q88-L92 VanDerWaalsContact O-N 3.09Å; Q88-L121 HydrophobicContact CB-CD1 4.26Å; Q88-L121 HydrophobicContact CB-CD2 3.98Å; Q88-L121 HydrophobicContact CG-CD1 3.93Å; Q88-L121 HydrophobicContact CG-CD2 3.97Å; Q88-I125 HydrophobicContact CG-CD1 4.29Å; Q88-I125 HydrophobicContact CG-CG1 4.29Å; Q88-I125 WeakPolarHBondContact CG-O 3.35Å; Q88-I125 PolarHBondContact NE2-O 2.94Å
89A96.9Very high95.7Very high56 Ų5650.3 Ų50.346%0.46326%0.258SS..Hα-helixtrans-64.3-45.817500000111.8T85 K86 L87 W91 L92 E93T85-A89 PolarHBondContact O-N 3.4Å; K86-A89 WeakPolarHBondContact O-CB 3.38Å; K86-A89 PolarHBondContact O-N 3.12Å; L87-A89 VanDerWaalsContact C-N 3.3Å; L87-A89 PolarHBondContact O-N 3.49Å; A89-W91 PolarHBondContact O-N 3.37Å; A89-L92 PolarHBondContact O-N 3.33Å; A89-E93 WeakPolarHBondContact O-CB 3.43Å; A89-E93 PolarHBondContact O-N 2.96Å
90L97.4Very high95.8Very high22 Ų2252 Ų5212%0.11527%0.266CS..Hα-helixtrans-59.3-46.4176-64.8175.9000112.3A58 V59 F62 L70 K86 L87 L92 E93 A94A58-L90 HydrophobicContact CB-CD1 4.43Å; V59-L90 HydrophobicContact CG2-CD1 3.94Å; F62-L90 HydrophobicContact CB-CD2 4Å; F62-L90 HydrophobicContact CD1-CD2 3.7Å; F62-L90 HydrophobicContact CD2-CD2 4.15Å; F62-L90 HydrophobicContact CE1-CD2 4.18Å; F62-L90 HydrophobicContact CG-CD2 3.68Å; L70-L90 HydrophobicContact CD1-CB 4.2Å; L70-L90 HydrophobicContact CD1-CD1 4.45Å; L70-L90 HydrophobicContact CD2-CB 4.49Å; K86-L90 WeakPolarHBondContact O-CG 3.44Å; K86-L90 PolarHBondContact O-N 2.94Å; K86-L90 VanDerWaalsContact O-N 3.11Å; L87-L90 HydrophobicContact CD2-CD1 4.11Å; L87-L90 PolarHBondContact O-N 3.2Å; L90-L92 PolarHBondContact O-N 3.21Å; L90-E93 PolarHBondContact O-N 3.31Å; L90-A94 VanDerWaalsContact O-CB 3.24Å; L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 2.96Å
91W97.8Very high95.9Very high9 Ų957.7 Ų57.73%0.03429%0.285CS..Hα-helixtrans-57.4-48.6177177.4-84.4000112.2Y71 L74 E75 L87 A89 H95 F119 P120 L121 P122 I125Y71-W91 HydrophobicContact CD1-CD2 4.43Å; Y71-W91 AromaticContact CD1-CE3 3.76Å; Y71-W91 HydrophobicContact CD1-CE3 3.76Å; Y71-W91 HydrophobicContact CD1-CH2 4.41Å; Y71-W91 AromaticContact CD1-CZ3 3.74Å; Y71-W91 HydrophobicContact CD1-CZ3 3.74Å; Y71-W91 HydrophobicContact CE1-CE3 4.43Å; Y71-W91 HydrophobicContact CG-CZ3 4.2Å; L74-W91 HydrophobicContact CB-CE3 4.14Å; L74-W91 HydrophobicContact CB-CZ3 4.4Å; L74-W91 HydrophobicContact CD1-CB 4.06Å; L74-W91 HydrophobicContact CD1-CE3 3.98Å; E75-W91 HydrophobicContact CG-CH2 3.95Å; E75-W91 HydrophobicContact CG-CZ3 3.87Å; L87-W91 PolarHBondContact O-N 3.02Å; A89-W91 PolarHBondContact O-N 3.37Å; W91-H95 AromaticContact CD1-CD2 3.99Å; W91-H95 AromaticContact CE2-CD2 3.77Å; W91-H95 AromaticContact CE2-NE2 3.62Å; W91-H95 AromaticContact CZ2-NE2 3.58Å; W91-H95 AromaticContact NE1-CD2 3.59Å; W91-H95 AromaticContact NE1-NE2 3.9Å; W91-H95 PolarHBondContact O-N 2.9Å; W91-F119 PolarHBondContact NE1-O 3.48Å; W91-P120 WeakPolarHBondContact CZ2-O 3.44Å; W91-L121 HydrophobicContact CB-CD2 4.04Å; W91-L121 VanDerWaalsContact CD1-CD2 3.49Å; W91-L121 HydrophobicContact CG-CD2 3.84Å; W91-P122 HydrophobicContact CD2-CG 4.46Å; W91-P122 HydrophobicContact CE3-CG 4.06Å; W91-P122 HydrophobicContact CH2-CG 4.1Å; W91-P122 HydrophobicContact CZ2-CG 4.47Å; W91-P122 HydrophobicContact CZ3-CG 3.88Å; W91-I125 HydrophobicContact CB-CD1 4.3Å
92L97.7Very high96.1Very high37 Ų3758.7 Ų58.719%0.19430%0.296CS..Hα-helixtrans-67.5-44.5-178.1-70.2175.5000111.9Q88 A89 L90 Y96 R116 L121Q88-L92 WeakPolarHBondContact O-CB 3.24Å; Q88-L92 WeakPolarHBondContact O-CG 3.46Å; Q88-L92 PolarHBondContact O-N 3.43Å; Q88-L92 VanDerWaalsContact O-N 3.09Å; A89-L92 PolarHBondContact O-N 3.33Å; L90-L92 PolarHBondContact O-N 3.21Å; L92-Y96 HydrophobicContact CB-CE2 4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.14Å; L92-Y96 PolarHBondContact O-N 3.45Å; L92-R116 HydrophobicContact CD2-CG 3.49Å; L92-R116 VanDerWaalsContact CD2-CG 3.49Å; L92-L121 HydrophobicContact CG-CD2 4.31Å
93E97.5Very high96.2Very high70 Ų7056.4 Ų56.433%0.32728%0.279SS..Hα-helixtrans-71.3-35.6-177.1-162.358.2-14400112F62 A89 L90 Y96 Q97F62-E93 HydrophobicContact CE2-CB 4.06Å; F62-E93 HydrophobicContact CE2-CG 4.31Å; F62-E93 HydrophobicContact CZ-CB 4.11Å; F62-E93 HydrophobicContact CZ-CG 3.97Å; A89-E93 WeakPolarHBondContact O-CB 3.43Å; A89-E93 PolarHBondContact O-N 2.96Å; L90-E93 PolarHBondContact O-N 3.31Å; E93-Y96 PolarHBondContact O-N 3.26Å; E93-Y96 WeakPolarHBondContact OE2-CD2 3.39Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 2.88Å
94A97.8Very high96.2Very high0 Ų059.4 Ų59.40%031%0.313CS..Hα-helixtrans-59.5-51.6173.200000111.6F62 F67 L70 Y71 L90 Y96 Q97 E98F62-A94 HydrophobicContact CD2-CB 4.09Å; F62-A94 HydrophobicContact CE2-CB 4.2Å; F67-A94 HydrophobicContact CB-CB 4.47Å; F67-A94 HydrophobicContact CD1-CB 3.58Å; F67-A94 HydrophobicContact CE1-CB 3.92Å; F67-A94 HydrophobicContact CG-CB 4.03Å; L70-A94 HydrophobicContact CD2-CB 3.58Å; Y71-A94 HydrophobicContact CE1-CB 3.84Å; Y71-A94 WeakPolarHBondContact OH-CB 3.18Å; L90-A94 VanDerWaalsContact O-CB 3.24Å; L90-A94 WeakPolarHBondContact O-CB 3.49Å; L90-A94 PolarHBondContact O-N 2.96Å; A94-Y96 VanDerWaalsContact C-N 3.27Å; A94-Y96 PolarHBondContact O-N 3.39Å; A94-Q97 PolarHBondContact O-N 3.01Å; A94-Q97 VanDerWaalsContact O-N 3.15Å; A94-E98 WeakPolarHBondContact O-CG 3.39Å; A94-E98 PolarHBondContact O-N 2.98Å
95H98.2Very high96.2Very high8 Ų864.3 Ų64.34%0.03733%0.33CS..Hα-helixtrans-67-25.1176.4-76.2-45.9000113.5Y71 W91 E98 A99 V115 F119Y71-H95 AromaticContact CE1-CE1 3.61Å; Y71-H95 AromaticContact CE1-ND1 3.95Å; Y71-H95 AromaticContact CE1-NE2 3.69Å; Y71-H95 AromaticContact CE2-CE1 3.47Å; Y71-H95 VanDerWaalsContact CE2-CE1 3.47Å; Y71-H95 WeakPolarHBondContact CE2-CE1 3.45Å; Y71-H95 AromaticContact CE2-ND1 3.86Å; Y71-H95 AromaticContact CZ-CE1 3.2Å; Y71-H95 AromaticContact CZ-CG 3.96Å; Y71-H95 AromaticContact CZ-ND1 3.34Å; Y71-H95 VanDerWaalsContact CZ-ND1 3.34Å; Y71-H95 AromaticContact CZ-NE2 3.79Å; Y71-H95 PolarHBondContact OH-CE1 3.48Å; Y71-H95 PolarHBondContact OH-N 3.05Å; Y71-H95 PolarHBondContact OH-ND1 3.39Å; W91-H95 AromaticContact CD1-CD2 3.99Å; W91-H95 AromaticContact CE2-CD2 3.77Å; W91-H95 AromaticContact CE2-NE2 3.62Å; W91-H95 AromaticContact CZ2-NE2 3.58Å; W91-H95 AromaticContact NE1-CD2 3.59Å; W91-H95 AromaticContact NE1-NE2 3.9Å; W91-H95 PolarHBondContact O-N 2.9Å; H95-E98 IonicContact CE1-OE2 2.67Å; H95-E98 IonicContact ND1-OE2 2.87Å; H95-E98 PolarHBondContact ND1-OE2 3.37Å; H95-A99 VanDerWaalsContact O-CB 3.26Å; H95-A99 WeakPolarHBondContact O-CB 3.26Å; H95-A99 PolarHBondContact O-N 3.09Å; H95-V115 HydrophobicContact CB-CG1 3.65Å; H95-F119 HydrophobicContact CB-CD2 4.23Å; H95-F119 VanDerWaalsContact CD2-CB 3.43Å; H95-F119 WeakPolarHBondContact CD2-CB 3.32Å; H95-F119 AromaticContact CD2-CG 3.79Å; H95-F119 AromaticContact CE1-CD1 3.79Å; H95-F119 AromaticContact CE1-CG 3.76Å; H95-F119 AromaticContact CG-CD2 3.84Å; H95-F119 AromaticContact ND1-CD2 3.85Å; H95-F119 AromaticContact ND1-CG 3.99Å; H95-F119 WeakPolarHBondContact NE2-CB 3.21Å; H95-F119 AromaticContact NE2-CD1 3.84Å; H95-F119 AromaticContact NE2-CG 3.6Å
96Y97.6Very high96.2Very high19 Ų1964.1 Ų64.18%0.07533%0.331CS..Hα-helixtrans-69-48.1168.6-64-30.5000111L92 E93 A94 E98 A99 E100 L107 K112 V115 R116L92-Y96 HydrophobicContact CB-CE2 4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.14Å; L92-Y96 PolarHBondContact O-N 3.45Å; E93-Y96 PolarHBondContact O-N 3.26Å; E93-Y96 WeakPolarHBondContact OE2-CD2 3.39Å; A94-Y96 VanDerWaalsContact C-N 3.27Å; A94-Y96 PolarHBondContact O-N 3.39Å; Y96-E98 PolarHBondContact O-N 3.29Å; Y96-A99 CarbonylContact O-C 3.58Å; Y96-A99 PolarHBondContact O-N 3.48Å; Y96-A99 VanDerWaalsContact O-N 3.12Å; Y96-E100 WeakPolarHBondContact O-CG 3.41Å; Y96-E100 PolarHBondContact O-N 2.98Å; Y96-L107 HydrophobicContact CD1-CD1 3.9Å; Y96-L107 HydrophobicContact CG-CD1 4.18Å; Y96-L107 WeakPolarHBondContact O-CD1 3.41Å; Y96-K112 HydrophobicContact CD1-CB 4.13Å; Y96-K112 HydrophobicContact CD1-CD 3.98Å; Y96-K112 HydrophobicContact CD1-CG 3.82Å; Y96-K112 HydrophobicContact CD2-CD 3.85Å; Y96-K112 HydrophobicContact CE1-CB 3.56Å; Y96-K112 HydrophobicContact CE1-CD 3.98Å; Y96-K112 HydrophobicContact CE1-CG 3.77Å; Y96-K112 HydrophobicContact CE2-CD 3.86Å; Y96-K112 HydrophobicContact CG-CD 3.95Å; Y96-K112 HydrophobicContact CG-CG 4.28Å; Y96-V115 HydrophobicContact CD1-CB 4.02Å; Y96-V115 HydrophobicContact CD1-CG1 3.78Å; Y96-V115 HydrophobicContact CD1-CG2 4.35Å; Y96-V115 HydrophobicContact CE1-CB 4Å; Y96-V115 HydrophobicContact CE1-CG1 3.93Å; Y96-R116 VanDerWaalsContact OH-CD 3.31Å; Y96-R116 WeakPolarHBondContact OH-CD 3.47Å; Y96-R116 PolarHBondContact OH-NE 3.18Å
97Q96.8Very high96.3Very high76 Ų7660.4 Ų60.436%0.35532%0.315SS..Hα-helixtrans-61.9-41.8178.9-70.8-179.624.600112.4F67 E93 A94 A99 E100 K101F67-Q97 HydrophobicContact CE2-CB 4.43Å; F67-Q97 HydrophobicContact CZ-CB 4.18Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 2.88Å; A94-Q97 PolarHBondContact O-N 3.01Å; A94-Q97 VanDerWaalsContact O-N 3.15Å; Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 3.5Å; Q97-E100 PolarHBondContact O-N 2.88Å; Q97-K101 VanDerWaalsContact O-CB 3.23Å; Q97-K101 WeakPolarHBondContact O-CB 3.42Å; Q97-K101 PolarHBondContact O-N 3.14Å
98E96.6Very high96.2Very high78 Ų7861.8 Ų61.836%0.36433%0.33SS..Hα-helixtrans-57.6-45.4171.6-71.8-172.8119.400112F67 Y71 A94 H95 Y96 L102F67-E98 HydrophobicContact CD2-CG 3.55Å; F67-E98 HydrophobicContact CE2-CG 3.95Å; F67-E98 HydrophobicContact CG-CG 4.49Å; Y71-E98 PolarHBondContact OH-OE2 3.2Å; A94-E98 WeakPolarHBondContact O-CG 3.39Å; A94-E98 PolarHBondContact O-N 2.98Å; H95-E98 IonicContact CE1-OE2 2.67Å; H95-E98 IonicContact ND1-OE2 2.87Å; H95-E98 PolarHBondContact ND1-OE2 3.37Å; Y96-E98 PolarHBondContact O-N 3.29Å; E98-L102 VanDerWaalsContact O-CB 3.29Å; E98-L102 WeakPolarHBondContact O-CB 3.47Å; E98-L102 PolarHBondContact O-N 2.91Å
99A96.4Very high96.2Very high17 Ų1765.4 Ų65.414%0.1436%0.356CS..Hα-helixtrans-77.7-21.9-177.900000113.9H95 Y96 Q97 R103 L107 V115H95-A99 VanDerWaalsContact O-CB 3.26Å; H95-A99 WeakPolarHBondContact O-CB 3.26Å; H95-A99 PolarHBondContact O-N 3.09Å; Y96-A99 CarbonylContact O-C 3.58Å; Y96-A99 PolarHBondContact O-N 3.48Å; Y96-A99 VanDerWaalsContact O-N 3.12Å; Q97-A99 VanDerWaalsContact C-N 3.33Å; Q97-A99 PolarHBondContact O-N 3.5Å; A99-R103 VanDerWaalsContact O-CB 3.31Å; A99-R103 WeakPolarHBondContact O-CB 3.2Å; A99-R103 WeakPolarHBondContact O-CD 3.38Å; A99-R103 WeakPolarHBondContact O-CG 3.15Å; A99-R103 PolarHBondContact O-N 2.75Å; A99-L107 HydrophobicContact CB-CD1 4.02Å; A99-L107 HydrophobicContact CB-CD2 4.16Å; A99-V115 HydrophobicContact CB-CG2 3.74Å
100E96.3Very high96.1Very high51 Ų5167 Ų6724%0.23836%0.36CS..Hα-helixtrans-74.5-48.1168.3-73.9-177.5176.400110.4Y96 Q97 L102 R103 G104 L107 K112Y96-E100 WeakPolarHBondContact O-CG 3.41Å; Y96-E100 PolarHBondContact O-N 2.98Å; Q97-E100 PolarHBondContact O-N 2.88Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.28Å; E100-R103 CarbonylContact O-C 3.59Å; E100-R103 PolarHBondContact O-N 3.05Å; E100-G104 PolarHBondContact O-N 3.11Å; E100-L107 HydrophobicContact CG-CB 4.14Å; E100-L107 HydrophobicContact CG-CD1 3.64Å; E100-L107 HydrophobicContact CG-CG 3.45Å; E100-L107 VanDerWaalsContact CG-CG 3.45Å; E100-L107 WeakPolarHBondContact OE1-CB 3.34Å; E100-L107 PolarHBondContact OE1-N 2.82Å; E100-K112 IonicContact OE1-NZ 3.64Å
101K94.9Very high96Very high189 Ų18966.5 Ų66.582%0.82236%0.358SS*.Hα-helixtrans-58-42.3176-172173.8-177175.80112.2Q97 R103Q97-K101 VanDerWaalsContact O-CB 3.23Å; Q97-K101 WeakPolarHBondContact O-CB 3.42Å; Q97-K101 PolarHBondContact O-N 3.14Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.31Å
102L93.6Very high96Very high157 Ų15768.5 Ų68.582%0.82237%0.366SS*.THydrogen-bonded Turntrans-69.7-21.6175.8-175.362.1000113.6E98 E100E98-L102 VanDerWaalsContact O-CB 3.29Å; E98-L102 WeakPolarHBondContact O-CB 3.47Å; E98-L102 PolarHBondContact O-N 2.91Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.28Å
103R94Very high95.8Very high130 Ų13073.2 Ų73.249%0.49138%0.383SS..THydrogen-bonded Turntrans-101.9-13.7-178.3-74-177.9177.3-712.2114.6A99 E100 K101 R105A99-R103 VanDerWaalsContact O-CB 3.31Å; A99-R103 WeakPolarHBondContact O-CB 3.2Å; A99-R103 WeakPolarHBondContact O-CD 3.38Å; A99-R103 WeakPolarHBondContact O-CG 3.15Å; A99-R103 PolarHBondContact O-N 2.75Å; E100-R103 CarbonylContact O-C 3.59Å; E100-R103 PolarHBondContact O-N 3.05Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.31Å; R103-R105 HydrophobicContact CB-CG 4.21Å; R103-R105 PolarHBondContact O-N 3.42Å
104G94.3Very high95.7Very high75 Ų7576.7 Ų76.777%0.77339%0.393SS*.THydrogen-bonded Turntrans63.117.4-173.700000114.4E100E100-G104 PolarHBondContact O-N 3.11Å
105R95Very high95.7Very high119 Ų11977.4 Ų77.445%0.44940%0.397SS..SBendtrans-154.5153.6-18067.5172.5-173.376.81.7112.2R103 D111R103-R105 HydrophobicContact CB-CG 4.21Å; R103-R105 PolarHBondContact O-N 3.42Å; R105-D111 IonicContact CZ-OD2 3.59Å; R105-D111 IonicContact NH1-OD2 3.01Å; R105-D111 IonicContact NH2-OD2 3.8Å; R105-D111 PolarHBondContact NH2-OD2 3.01Å
106P94.1Very high95.5Very high102 Ų10282.7 Ų82.766%0.66242%0.417SS*.  trans-56.5146.8173.5-25.935.2000113.9
107L95.6Very high95.3Very high14 Ų1489.3 Ų89.37%0.07345%0.446CS..  trans-83.4115.4178.8-69160.6000111.1Y96 A99 E100 D111 K112 V115Y96-L107 HydrophobicContact CD1-CD1 3.9Å; Y96-L107 HydrophobicContact CG-CD1 4.18Å; Y96-L107 WeakPolarHBondContact O-CD1 3.41Å; A99-L107 HydrophobicContact CB-CD1 4.02Å; A99-L107 HydrophobicContact CB-CD2 4.16Å; E100-L107 HydrophobicContact CG-CB 4.14Å; E100-L107 HydrophobicContact CG-CD1 3.64Å; E100-L107 HydrophobicContact CG-CG 3.45Å; E100-L107 VanDerWaalsContact CG-CG 3.45Å; E100-L107 WeakPolarHBondContact OE1-CB 3.34Å; E100-L107 PolarHBondContact OE1-N 2.82Å; L107-D111 HydrophobicContact CB-CB 4.21Å; L107-D111 HydrophobicContact CD2-CB 3.41Å; L107-D111 VanDerWaalsContact CD2-CB 3.41Å; L107-D111 HydrophobicContact CG-CB 4.39Å; L107-K112 HydrophobicContact CB-CD 4.27Å; L107-K112 HydrophobicContact CB-CG 3.49Å; L107-K112 VanDerWaalsContact CB-CG 3.49Å; L107-K112 HydrophobicContact CD1-CG 4.1Å; L107-K112 HydrophobicContact CG-CG 4.42Å; L107-V115 HydrophobicContact CD1-CG2 4.31Å
108G96.3Very high95.2Very high29 Ų2993 Ų9330%0.29946%0.461SS..  trans-67165.3166.400000112.2V110 D111 K112G108-V110 PolarHBondContact O-N 2.74Å; G108-V110 VanDerWaalsContact O-N 3.08Å; G108-D111 WeakPolarHBondContact O-CA 3.43Å; G108-D111 PolarHBondContact O-N 2.97Å; G108-K112 PolarHBondContact O-N 2.89Å
109P96.4Very high95.1Very high115 Ų11592.3 Ų92.375%0.74746%0.457SS*.Hα-helixtrans-54.7-34.5-174.4-28.935.7000115Y113P109-Y113 WeakPolarHBondContact O-CB 3.44Å; P109-Y113 PolarHBondContact O-N 2.62Å
110V94.4Very high95Very high90 Ų9095.6 Ų95.655%0.54548%0.477SS..Hα-helixtrans-68.7-35.7176.5-175.20000111.7G108 Y113 R114G108-V110 PolarHBondContact O-N 2.74Å; G108-V110 VanDerWaalsContact O-N 3.08Å; V110-Y113 PolarHBondContact O-N 3.01Å; V110-R114 VanDerWaalsContact O-CG 3.32Å; V110-R114 WeakPolarHBondContact O-CG 3.46Å; V110-R114 PolarHBondContact O-N 3Å
111D95.6Very high94.9Very high12 Ų1294.9 Ų94.96%0.06447%0.474CS..Hα-helixtrans-76.3-39.7176.6-65.6-41.6000111R105 L107 G108 Y113 R114 V115R105-D111 IonicContact CZ-OD2 3.59Å; R105-D111 IonicContact NH1-OD2 3.01Å; R105-D111 IonicContact NH2-OD2 3.8Å; R105-D111 PolarHBondContact NH2-OD2 3.01Å; L107-D111 HydrophobicContact CB-CB 4.21Å; L107-D111 HydrophobicContact CD2-CB 3.41Å; L107-D111 VanDerWaalsContact CD2-CB 3.41Å; L107-D111 HydrophobicContact CG-CB 4.39Å; G108-D111 WeakPolarHBondContact O-CA 3.43Å; G108-D111 PolarHBondContact O-N 2.97Å; D111-Y113 PolarHBondContact O-N 3.3Å; D111-R114 WeakPolarHBondContact O-CB 3.47Å; D111-R114 PolarHBondContact O-N 3Å; D111-R114 IonicContact OD1-CZ 2.82Å; D111-R114 IonicContact OD1-NH1 3.85Å; D111-R114 PolarHBondContact OD1-NH1 2.54Å; D111-V115 WeakPolarHBondContact O-CG2 3.43Å; D111-V115 PolarHBondContact O-N 2.83Å
112K96.5Very high94.8Very high50 Ų5086.9 Ų86.922%0.21744%0.442CS..Hα-helixtrans-63.4-26.1169.5-64.1-155.5173.9-159.10113Y96 E100 L107 G108 R116Y96-K112 HydrophobicContact CD1-CB 4.13Å; Y96-K112 HydrophobicContact CD1-CD 3.98Å; Y96-K112 HydrophobicContact CD1-CG 3.82Å; Y96-K112 HydrophobicContact CD2-CD 3.85Å; Y96-K112 HydrophobicContact CE1-CB 3.56Å; Y96-K112 HydrophobicContact CE1-CD 3.98Å; Y96-K112 HydrophobicContact CE1-CG 3.77Å; Y96-K112 HydrophobicContact CE2-CD 3.86Å; Y96-K112 HydrophobicContact CG-CD 3.95Å; Y96-K112 HydrophobicContact CG-CG 4.28Å; E100-K112 IonicContact OE1-NZ 3.64Å; L107-K112 HydrophobicContact CB-CD 4.27Å; L107-K112 HydrophobicContact CB-CG 3.49Å; L107-K112 VanDerWaalsContact CB-CG 3.49Å; L107-K112 HydrophobicContact CD1-CG 4.1Å; L107-K112 HydrophobicContact CG-CG 4.42Å; G108-K112 PolarHBondContact O-N 2.89Å; K112-R116 PolarHBondContact O-N 3.05Å; K112-R116 PolarHBondContact O-NE 3.2Å
113Y94.8Very high94.7Very high136 Ų13689.3 Ų89.353%0.53344%0.44SS..Hα-helixtrans-71.3-43.6167.5170.8-98.2000112.4P109 V110 D111 V115 R116 K117P109-Y113 WeakPolarHBondContact O-CB 3.44Å; P109-Y113 PolarHBondContact O-N 2.62Å; V110-Y113 PolarHBondContact O-N 3.01Å; D111-Y113 PolarHBondContact O-N 3.3Å; Y113-V115 VanDerWaalsContact C-N 3.34Å; Y113-V115 PolarHBondContact O-N 2.82Å; Y113-R116 PolarHBondContact O-N 2.67Å; Y113-K117 PolarHBondContact O-N 2.84Å
114R95.6Very high94.6Very high144 Ų14484 Ų8454%0.54342%0.422SS..Hα-helixtrans-60.1-41.8176.4-72.8163.5175.2148-0.7112.1V110 D111 K117 K118V110-R114 VanDerWaalsContact O-CG 3.32Å; V110-R114 WeakPolarHBondContact O-CG 3.46Å; V110-R114 PolarHBondContact O-N 3Å; D111-R114 WeakPolarHBondContact O-CB 3.47Å; D111-R114 PolarHBondContact O-N 3Å; D111-R114 IonicContact OD1-CZ 2.82Å; D111-R114 IonicContact OD1-NH1 3.85Å; D111-R114 PolarHBondContact OD1-NH1 2.54Å; R114-K117 PolarHBondContact O-N 2.69Å; R114-K118 PolarHBondContact O-N 2.87Å
115V96.4Very high94.5Very high14 Ų1480.4 Ų80.49%0.08539%0.385CS..Hα-helixtrans-59.7-54.3175.1173.30000110.4H95 Y96 A99 L107 D111 Y113 K117 K118 F119H95-V115 HydrophobicContact CB-CG1 3.65Å; Y96-V115 HydrophobicContact CD1-CB 4.02Å; Y96-V115 HydrophobicContact CD1-CG1 3.78Å; Y96-V115 HydrophobicContact CD1-CG2 4.35Å; Y96-V115 HydrophobicContact CE1-CB 4Å; Y96-V115 HydrophobicContact CE1-CG1 3.93Å; A99-V115 HydrophobicContact CB-CG2 3.74Å; L107-V115 HydrophobicContact CD1-CG2 4.31Å; D111-V115 WeakPolarHBondContact O-CG2 3.43Å; D111-V115 PolarHBondContact O-N 2.83Å; Y113-V115 VanDerWaalsContact C-N 3.34Å; Y113-V115 PolarHBondContact O-N 2.82Å; V115-K117 PolarHBondContact O-N 2.82Å; V115-K118 PolarHBondContact O-N 3.42Å; V115-F119 HydrophobicContact CG1-CD2 4.19Å; V115-F119 PolarHBondContact O-N 2.98Å
116R95.2Very high94.3Very high120 Ų12079.5 Ų79.545%0.45338%0.382SS..Hα-helixtrans-56.3-33.1176.7-81.3-179.9-69.5172.2-0.7114.6L92 Y96 K112 Y113 F119L92-R116 HydrophobicContact CD2-CG 3.49Å; L92-R116 VanDerWaalsContact CD2-CG 3.49Å; Y96-R116 VanDerWaalsContact OH-CD 3.31Å; Y96-R116 WeakPolarHBondContact OH-CD 3.47Å; Y96-R116 PolarHBondContact OH-NE 3.18Å; K112-R116 PolarHBondContact O-N 3.05Å; K112-R116 PolarHBondContact O-NE 3.2Å; Y113-R116 PolarHBondContact O-N 2.67Å; R116-F119 CarbonylContact O-C 3.45Å
117K92.6Very high93.5Very high157 Ų15779.3 Ų79.368%0.68338%0.375SS*.Hα-helixtrans-77.3-30.1175.5-175.2168.1-178.2176.50113Y113 R114 V115Y113-K117 PolarHBondContact O-N 2.84Å; R114-K117 PolarHBondContact O-N 2.69Å; V115-K117 PolarHBondContact O-N 2.82Å
118K94.8Very high92.3Very high155 Ų15579.9 Ų79.967%0.67439%0.385SS*.Hα-helixtrans-77.9-37176.4-174.4-178.8172.3-166.80111.9R114 V115 P120R114-K118 PolarHBondContact O-N 2.87Å; V115-K118 PolarHBondContact O-N 3.42Å; K118-P120 WeakPolarHBondContact O-CD 3.49Å
119F94.8Very high91.1Very high63 Ų6385.6 Ų85.628%0.27640%0.403SS..SBendtrans-124.876.2-176.1-54-69.4000110.1W91 H95 V115 R116W91-F119 PolarHBondContact NE1-O 3.48Å; H95-F119 HydrophobicContact CB-CD2 4.23Å; H95-F119 VanDerWaalsContact CD2-CB 3.43Å; H95-F119 WeakPolarHBondContact CD2-CB 3.32Å; H95-F119 AromaticContact CD2-CG 3.79Å; H95-F119 AromaticContact CE1-CD1 3.79Å; H95-F119 AromaticContact CE1-CG 3.76Å; H95-F119 AromaticContact CG-CD2 3.84Å; H95-F119 AromaticContact ND1-CD2 3.85Å; H95-F119 AromaticContact ND1-CG 3.99Å; H95-F119 WeakPolarHBondContact NE2-CB 3.21Å; H95-F119 AromaticContact NE2-CD1 3.84Å; H95-F119 AromaticContact NE2-CG 3.6Å; V115-F119 HydrophobicContact CG1-CD2 4.19Å; V115-F119 PolarHBondContact O-N 2.98Å; R116-F119 CarbonylContact O-C 3.45Å
120P93.6Very high89.4Confident86 Ų8687.8 Ų87.856%0.55840%0.404SS*.PPolyproline II helixtrans-63.6157.1175.929.8-35.9000111W91 K118W91-P120 WeakPolarHBondContact CZ2-O 3.44Å; K118-P120 WeakPolarHBondContact O-CD 3.49Å
121L93.7Very high87.7Confident35 Ų3591.3 Ų91.318%0.18341%0.412CS..PPolyproline II helixtrans-66.8132.4178.2-69.5164000110.8Q88 W91 L92 I125 W126Q88-L121 HydrophobicContact CB-CD1 4.26Å; Q88-L121 HydrophobicContact CB-CD2 3.98Å; Q88-L121 HydrophobicContact CG-CD1 3.93Å; Q88-L121 HydrophobicContact CG-CD2 3.97Å; W91-L121 HydrophobicContact CB-CD2 4.04Å; W91-L121 VanDerWaalsContact CD1-CD2 3.49Å; W91-L121 HydrophobicContact CG-CD2 3.84Å; L92-L121 HydrophobicContact CG-CD2 4.31Å; L121-I125 HydrophobicContact CD2-CD1 4.19Å; L121-W126 HydrophobicContact CB-CB 3.91Å; L121-W126 HydrophobicContact CB-CD2 4.41Å; L121-W126 HydrophobicContact CB-CG 4.15Å; L121-W126 HydrophobicContact CD1-CD2 4.07Å; L121-W126 HydrophobicContact CD1-CE3 3.44Å; L121-W126 VanDerWaalsContact CD1-CE3 3.44Å; L121-W126 HydrophobicContact CD1-CZ3 3.86Å
122P93.9Very high86.3Confident22 Ų2296 Ų9614%0.14344%0.44CS..PPolyproline II helixtrans-72.5150.1-179.128.7-33.2000111.8E75 W91 T124 I125 W126E75-P122 HydrophobicContact CG-CB 4.27Å; E75-P122 HydrophobicContact CG-CG 4.36Å; W91-P122 HydrophobicContact CD2-CG 4.46Å; W91-P122 HydrophobicContact CE3-CG 4.06Å; W91-P122 HydrophobicContact CH2-CG 4.1Å; W91-P122 HydrophobicContact CZ2-CG 4.47Å; W91-P122 HydrophobicContact CZ3-CG 3.88Å; P122-T124 WeakPolarHBondContact CB-OG1 3.39Å; P122-T124 PolarHBondContact O-N 2.9Å; P122-I125 HydrophobicContact CG-CD1 4.18Å; P122-I125 HydrophobicContact CG-CG1 4.04Å; P122-I125 PolarHBondContact O-N 2.96Å; P122-W126 PolarHBondContact O-N 3.44Å
123R90.9Very high84.8Confident207 Ų207102 Ų10278%0.78147%0.469SS*.THydrogen-bonded Turntrans-62.3-10.6-173.5-70.8-177.6175.6-90.56.3115.1W126R123-W126 CarbonylContact C-O 3.46Å; R123-W126 WeakPolarHBondContact CA-O 3.31Å
124T92.6Very high84Confident19 Ų1999.5 Ų99.512%0.11747%0.471CS..THydrogen-bonded Turntrans-73.6-28.2174.834.10000114L74 E75 H77 K78 F79 P122L74-T124 WeakPolarHBondContact O-CB 3.19Å; L74-T124 PolarHBondContact O-OG1 3.1Å; E75-T124 WeakPolarHBondContact O-CG2 3.2Å; H77-T124 WeakPolarHBondContact O-CB 3.48Å; H77-T124 WeakPolarHBondContact O-CG2 3.38Å; K78-T124 HydrophobicContact CG-CG2 4.28Å; F79-T124 PolarHBondContact N-O 3.14Å; P122-T124 WeakPolarHBondContact CB-OG1 3.39Å; P122-T124 PolarHBondContact O-N 2.9Å
125I92.3Very high83.5Confident0 Ų095 Ų950%046%0.455CS..SBendtrans-124.812179.666.7177.9000112.9L74 F79 H84 L87 Q88 W91 L121 P122L74-I125 HydrophobicContact CD1-CD1 4.26Å; L74-I125 HydrophobicContact CD2-CG2 4.18Å; F79-I125 HydrophobicContact CB-CG2 4.4Å; F79-I125 HydrophobicContact CD2-CG2 3.6Å; F79-I125 HydrophobicContact CE2-CG2 4.25Å; F79-I125 HydrophobicContact CG-CG2 4.24Å; H84-I125 PolarHBondContact ND1-O 3.13Å; L87-I125 HydrophobicContact CB-CB 4.43Å; L87-I125 HydrophobicContact CB-CD1 4.26Å; L87-I125 HydrophobicContact CB-CG2 4Å; L87-I125 HydrophobicContact CD1-CG2 3.92Å; Q88-I125 HydrophobicContact CG-CD1 4.29Å; Q88-I125 HydrophobicContact CG-CG1 4.29Å; Q88-I125 WeakPolarHBondContact CG-O 3.35Å; Q88-I125 PolarHBondContact NE2-O 2.94Å; W91-I125 HydrophobicContact CB-CD1 4.3Å; L121-I125 HydrophobicContact CD2-CD1 4.19Å; P122-I125 HydrophobicContact CG-CD1 4.18Å; P122-I125 HydrophobicContact CG-CG1 4.04Å; P122-I125 PolarHBondContact O-N 2.96Å
126W89.8Confident83Confident99 Ų99102.6 Ų102.638%0.37549%0.487SS..SBendtrans-154.2120-176.9178.8-88.4000110.5L121 P122 R123 G128L121-W126 HydrophobicContact CB-CB 3.91Å; L121-W126 HydrophobicContact CB-CD2 4.41Å; L121-W126 HydrophobicContact CB-CG 4.15Å; L121-W126 HydrophobicContact CD1-CD2 4.07Å; L121-W126 HydrophobicContact CD1-CE3 3.44Å; L121-W126 VanDerWaalsContact CD1-CE3 3.44Å; L121-W126 HydrophobicContact CD1-CZ3 3.86Å; P122-W126 PolarHBondContact O-N 3.44Å; R123-W126 CarbonylContact C-O 3.46Å; R123-W126 WeakPolarHBondContact CA-O 3.31Å; W126-G128 PolarHBondContact O-N 3.07Å
127D79Confident82.7Confident99 Ų99100 Ų10053%0.52948%0.48SS..  trans-59.7-15.4-173.5-68-33.6000115K81 H84K81-D127 WeakPolarHBondContact CE-OD1 3.34Å; K81-D127 VanDerWaalsContact CE-OD2 3.27Å; K81-D127 WeakPolarHBondContact CE-OD2 3.22Å; K81-D127 IonicContact NZ-OD1 2.65Å; K81-D127 IonicContact NZ-OD2 2.69Å; K81-D127 PolarHBondContact NZ-OD2 3.45Å; H84-D127 IonicContact CE1-OD1 3.84Å
128G69.4Low82.6Confident26 Ų26103.2 Ų103.227%0.26849%0.488SS..  trans100.42.6174.400000115.2W126 Q130W126-G128 PolarHBondContact O-N 3.07Å; G128-Q130 VanDerWaalsContact C-N 3.33Å; G128-Q130 PolarHBondContact O-N 3.02Å
129E69.9Low82.5Confident149 Ų14997 Ų9770%0.69646%0.463SS*.  trans-65.286.2175.7-73-163.2-178.200112.3K131E129-K131 PolarHBondContact O-N 3.31Å
130Q61.8Low82.3Confident161 Ų16196.1 Ų96.175%0.75246%0.458SS*.  trans-77106.3169.1-66.5-165.617.900110.2G128 T132G128-Q130 VanDerWaalsContact C-N 3.33Å; G128-Q130 PolarHBondContact O-N 3.02Å; Q130-T132 VanDerWaalsContact C-N 3.34Å; Q130-T132 PolarHBondContact O-N 3.06Å
131K59.8Low82.3Confident164 Ų16496.9 Ų96.971%0.71345%0.453SS*.  trans-67.295.1164.1-72.7176-179.3169.60108.6E129 H133E129-K131 PolarHBondContact O-N 3.31Å; K131-H133 PolarHBondContact O-CD2 3.34Å; K131-H133 PolarHBondContact O-N 3.46Å
132T64.5Low82.3Confident109 Ų10997.4 Ų97.467%0.66946%0.456SS*.  trans-61.9112.9176.3-174.30000109.7Q130 C134Q130-T132 VanDerWaalsContact C-N 3.34Å; Q130-T132 PolarHBondContact O-N 3.06Å; T132-C134 PolarHBondContact O-N 3.29Å
133H66.4Low82.4Confident177 Ų17796.4 Ų96.482%0.81945%0.45SS*.  trans-83.97.8177.6-68.4-69.5000112.5K131K131-H133 PolarHBondContact O-CD2 3.34Å; K131-H133 PolarHBondContact O-N 3.46Å
134C78.1Confident82.5Confident84 Ų8491 Ų9157%0.56843%0.429SS*.SBendtrans-74.9144.1167.8-68.30000110.2T132T132-C134 PolarHBondContact O-N 3.29Å
135F84.4Confident82.6Confident49 Ų4995.7 Ų95.722%0.21545%0.45CS..PPolyproline II helixtrans-65.7155.8170.8-52.4-38.6000110.8T139 R140 L143 L167 Q171 W175F135-T139 HydrophobicContact CB-CG2 3.81Å; F135-T139 HydrophobicContact CD2-CG2 4.2Å; F135-T139 HydrophobicContact CG-CG2 4.17Å; F135-R140 HydrophobicContact CB-CG 4.06Å; F135-R140 WeakPolarHBondContact O-CD 3.47Å; F135-R140 WeakPolarHBondContact O-CG 3.31Å; F135-R140 PolarHBondContact O-NE 3.3Å; F135-L143 HydrophobicContact CD2-CD1 3.68Å; F135-L143 HydrophobicContact CE2-CD1 3.87Å; F135-L167 HydrophobicContact CD1-CD1 4.36Å; F135-L167 HydrophobicContact CD1-CD2 3.81Å; F135-L167 HydrophobicContact CD2-CD1 3.79Å; F135-L167 HydrophobicContact CE1-CD1 4.16Å; F135-L167 HydrophobicContact CE1-CD2 3.74Å; F135-L167 HydrophobicContact CE2-CD1 3.53Å; F135-L167 HydrophobicContact CG-CD1 4.2Å; F135-L167 HydrophobicContact CG-CD2 4.3Å; F135-L167 HydrophobicContact CZ-CD1 3.75Å; F135-L167 HydrophobicContact CZ-CD2 4.16Å; F135-Q171 HydrophobicContact CZ-CB 4.09Å; F135-Q171 HydrophobicContact CZ-CG 4.5Å; F135-W175 AromaticContact CD2-CD1 3.95Å; F135-W175 HydrophobicContact CE2-CB 4.18Å; F135-W175 AromaticContact CE2-CD1 3.61Å; F135-W175 HydrophobicContact CE2-CG 4.17Å
136K86Confident82.7Confident174 Ų17498.9 Ų98.976%0.75746%0.462SS*.PPolyproline II helixtrans-55148.3173.6-66.5-175.8177.6-177.70110.5R138 T139 R140K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.37Å; K136-T139 WeakPolarHBondContact O-CA 3.44Å; K136-T139 WeakPolarHBondContact O-CB 3.44Å; K136-T139 PolarHBondContact O-N 2.99Å; K136-R140 PolarHBondContact O-N 3.35Å
137E88Confident83Confident66 Ų6695.4 Ų95.431%0.30845%0.449SS..Hα-helixtrans-56.9-39.1-172-170.859.8-85.500113.3T139 R140 H141 R144E137-T139 VanDerWaalsContact C-N 3.35Å; E137-T139 PolarHBondContact O-N 2.91Å; E137-R140 PolarHBondContact O-N 3.33Å; E137-R140 VanDerWaalsContact O-N 3.16Å; E137-R140 IonicContact OE1-CZ 2.68Å; E137-R140 VanDerWaalsContact OE1-CZ 3.26Å; E137-R140 IonicContact OE1-NE 3.51Å; E137-R140 IonicContact OE1-NH1 3.52Å; E137-R140 PolarHBondContact OE1-NH1 3.48Å; E137-R140 IonicContact OE1-NH2 2.69Å; E137-R140 IonicContact OE2-CZ 3.94Å; E137-R140 IonicContact OE2-NH1 3.73Å; E137-R140 PolarHBondContact OE2-NH1 3.27Å; E137-R140 IonicContact OE2-NH2 3.02Å; E137-R140 PolarHBondContact OE2-NH2 3.49Å; E137-H141 PolarHBondContact O-N 2.68Å; E137-H141 PolarHBondContact O-ND1 3.18Å; E137-H141 IonicContact OE1-CE1 4Å; E137-H141 PolarHBondContact OE1-CE1 3.25Å; E137-H141 IonicContact OE1-ND1 3.74Å; E137-H141 PolarHBondContact OE1-ND1 3.19Å; E137-R144 IonicContact OE1-NH1 3.94Å; E137-R144 PolarHBondContact OE1-NH1 3.17Å
138R91.1Very high83.7Confident224 Ų22497.5 Ų97.585%0.84546%0.459SS*.Hα-helixtrans-57.1-45.2173.3-165.4178.4-163.5139.54.3112.5K136 H141 L142K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.37Å; R138-H141 PolarHBondContact O-N 2.83Å; R138-L142 PolarHBondContact O-N 3.12Å; R138-L142 VanDerWaalsContact O-N 3.12Å
139T91.9Very high84.9Confident23 Ų23104 Ų10414%0.14148%0.482CS..Hα-helixtrans-67.6-37176.1-55.20000111.8F135 K136 E137 L143 T165 L167F135-T139 HydrophobicContact CB-CG2 3.81Å; F135-T139 HydrophobicContact CD2-CG2 4.2Å; F135-T139 HydrophobicContact CG-CG2 4.17Å; K136-T139 WeakPolarHBondContact O-CA 3.44Å; K136-T139 WeakPolarHBondContact O-CB 3.44Å; K136-T139 PolarHBondContact O-N 2.99Å; E137-T139 VanDerWaalsContact C-N 3.35Å; E137-T139 PolarHBondContact O-N 2.91Å; T139-L143 HydrophobicContact CG2-CD1 4.05Å; T139-L143 WeakPolarHBondContact O-CB 3.15Å; T139-L143 WeakPolarHBondContact O-CD1 3.41Å; T139-L143 VanDerWaalsContact O-CG 3.3Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.08Å; T139-T165 HydrophobicContact CG2-CG2 4.09Å; T139-L167 HydrophobicContact CG2-CD1 3.7Å; T139-L167 HydrophobicContact CG2-CD2 4.47Å; T139-L167 HydrophobicContact CG2-CG 4.06Å
140R91.9Very high85.9Confident46 Ų4698.3 Ų98.317%0.17446%0.457CS..Hα-helixtrans-65.2-40.4175.4-70-166.1-84.2118.8-18.5111.9F135 K136 E137 R144F135-R140 HydrophobicContact CB-CG 4.06Å; F135-R140 WeakPolarHBondContact O-CD 3.47Å; F135-R140 WeakPolarHBondContact O-CG 3.31Å; F135-R140 PolarHBondContact O-NE 3.3Å; K136-R140 PolarHBondContact O-N 3.35Å; E137-R140 PolarHBondContact O-N 3.33Å; E137-R140 VanDerWaalsContact O-N 3.16Å; E137-R140 IonicContact OE1-CZ 2.68Å; E137-R140 VanDerWaalsContact OE1-CZ 3.26Å; E137-R140 IonicContact OE1-NE 3.51Å; E137-R140 IonicContact OE1-NH1 3.52Å; E137-R140 PolarHBondContact OE1-NH1 3.48Å; E137-R140 IonicContact OE1-NH2 2.69Å; E137-R140 IonicContact OE2-CZ 3.94Å; E137-R140 IonicContact OE2-NH1 3.73Å; E137-R140 PolarHBondContact OE2-NH1 3.27Å; E137-R140 IonicContact OE2-NH2 3.02Å; E137-R140 PolarHBondContact OE2-NH2 3.49Å; R140-R144 VanDerWaalsContact O-CG 3.24Å; R140-R144 WeakPolarHBondContact O-CG 3.43Å; R140-R144 PolarHBondContact O-N 3.11Å
141H93.3Very high87.5Confident101 Ų10192.9 Ų92.947%0.46844%0.436SS..Hα-helixtrans-65.3-50.9176.1-79.488.6000112.7E137 R138 L143 R144 E145E137-H141 PolarHBondContact O-N 2.68Å; E137-H141 PolarHBondContact O-ND1 3.18Å; E137-H141 IonicContact OE1-CE1 4Å; E137-H141 PolarHBondContact OE1-CE1 3.25Å; E137-H141 IonicContact OE1-ND1 3.74Å; E137-H141 PolarHBondContact OE1-ND1 3.19Å; R138-H141 PolarHBondContact O-N 2.83Å; H141-L143 VanDerWaalsContact C-N 3.25Å; H141-L143 PolarHBondContact O-N 2.79Å; H141-R144 PolarHBondContact CE1-NH1 3.16Å; H141-R144 PolarHBondContact NE2-NH1 3.17Å; H141-R144 WeakPolarHBondContact O-CA 3.47Å; H141-R144 WeakPolarHBondContact O-CB 3.45Å; H141-R144 PolarHBondContact O-N 3.4Å; H141-E145 PolarHBondContact O-N 2.82Å
142L93.9Very high89.2Confident47 Ų4792.5 Ų92.525%0.24643%0.431CS..Hα-helixtrans-58.5-37.3179.7-174.561.4000112.4R138 W146 A164 T165R138-L142 PolarHBondContact O-N 3.12Å; R138-L142 VanDerWaalsContact O-N 3.12Å; L142-W146 PolarHBondContact O-N 3.08Å; L142-A164 HydrophobicContact CD2-CB 4.08Å; L142-T165 HydrophobicContact CD2-CG2 3.87Å; L142-T165 HydrophobicContact CG-CG2 4.33Å
143L94.8Very high90.5Very high0 Ų087.4 Ų87.40%040%0.4CS..Hα-helixtrans-70.1-35.2173.9-70.5168.6000113.3F135 T139 H141 Y147 T165 L167 V172 W175 F176F135-L143 HydrophobicContact CD2-CD1 3.68Å; F135-L143 HydrophobicContact CE2-CD1 3.87Å; T139-L143 HydrophobicContact CG2-CD1 4.05Å; T139-L143 WeakPolarHBondContact O-CB 3.15Å; T139-L143 WeakPolarHBondContact O-CD1 3.41Å; T139-L143 VanDerWaalsContact O-CG 3.3Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.08Å; H141-L143 VanDerWaalsContact C-N 3.25Å; H141-L143 PolarHBondContact O-N 2.79Å; L143-Y147 VanDerWaalsContact O-CB 3.27Å; L143-Y147 WeakPolarHBondContact O-CB 3.43Å; L143-Y147 PolarHBondContact O-N 2.98Å; L143-T165 HydrophobicContact CD2-CG2 4.08Å; L143-T165 HydrophobicContact CG-CG2 4.05Å; L143-L167 HydrophobicContact CD1-CD1 3.96Å; L143-V172 HydrophobicContact CD2-CG1 4.24Å; L143-W175 VanDerWaalsContact C-CH2 3.48Å; L143-W175 HydrophobicContact CB-CD2 3.99Å; L143-W175 HydrophobicContact CB-CE3 4.04Å; L143-W175 HydrophobicContact CB-CH2 3.87Å; L143-W175 HydrophobicContact CB-CZ2 3.76Å; L143-W175 HydrophobicContact CB-CZ3 3.99Å; L143-W175 HydrophobicContact CD1-CD2 4.04Å; L143-W175 HydrophobicContact CD1-CG 3.96Å; L143-W175 HydrophobicContact CD2-CE3 4.43Å; L143-W175 HydrophobicContact CG-CD2 4.44Å; L143-W175 WeakPolarHBondContact O-CH2 3.42Å; L143-W175 WeakPolarHBondContact O-CZ3 3.45Å; L143-F176 HydrophobicContact CD2-CE2 3.84Å
144R94.2Very high91.8Very high94 Ų9482.8 Ų82.836%0.35538%0.381SS..Hα-helixtrans-66.2-45.8174.6-76.2164.6171.7158.3-4.5111.3E137 R140 H141 Y147 L148 W175E137-R144 IonicContact OE1-NH1 3.94Å; E137-R144 PolarHBondContact OE1-NH1 3.17Å; R140-R144 VanDerWaalsContact O-CG 3.24Å; R140-R144 WeakPolarHBondContact O-CG 3.43Å; R140-R144 PolarHBondContact O-N 3.11Å; H141-R144 PolarHBondContact CE1-NH1 3.16Å; H141-R144 PolarHBondContact NE2-NH1 3.17Å; H141-R144 WeakPolarHBondContact O-CA 3.47Å; H141-R144 WeakPolarHBondContact O-CB 3.45Å; H141-R144 PolarHBondContact O-N 3.4Å; R144-Y147 WeakPolarHBondContact O-CB 3.24Å; R144-Y147 PolarHBondContact O-N 2.92Å; R144-L148 PolarHBondContact O-N 3.44Å; R144-W175 HydrophobicContact CG-CZ2 4.33Å
145E95.3Very high92.6Very high117 Ų11783.3 Ų83.355%0.54738%0.383SS..Hα-helixtrans-59.9-55.1179.8179178-149.400111.5H141 Y147 L148H141-E145 PolarHBondContact O-N 2.82Å; E145-Y147 PolarHBondContact O-N 2.95Å; E145-L148 WeakPolarHBondContact O-CB 3.27Å; E145-L148 PolarHBondContact O-N 3.3Å; E145-L148 VanDerWaalsContact O-N 3.07Å
146W93.3Very high93Very high68 Ų6883.9 Ų83.926%0.25839%0.394SS..Hα-helixtrans-60.4-29.2176.5-8878.8000113.6L142 L148 Q149 D150 K157 L161 F176L142-W146 PolarHBondContact O-N 3.08Å; W146-L148 VanDerWaalsContact C-N 3.33Å; W146-Q149 PolarHBondContact O-N 3.47Å; W146-D150 PolarHBondContact O-N 3.04Å; W146-K157 HydrophobicContact CZ3-CD 4.23Å; W146-K157 HydrophobicContact CZ3-CG 4.41Å; W146-L161 HydrophobicContact CB-CD2 4.02Å; W146-L161 HydrophobicContact CD2-CD1 4.29Å; W146-L161 HydrophobicContact CD2-CD2 3.74Å; W146-L161 HydrophobicContact CD2-CG 4.12Å; W146-L161 HydrophobicContact CE3-CD1 4.05Å; W146-L161 HydrophobicContact CE3-CD2 4.32Å; W146-L161 HydrophobicContact CE3-CG 4.2Å; W146-L161 HydrophobicContact CG-CD2 3.61Å; W146-L161 HydrophobicContact CG-CG 4.42Å; W146-F176 HydrophobicContact CB-CZ 4.33Å
147Y95.7Very high93.3Very high26 Ų2678.8 Ų78.810%0.10237%0.371CS..Hα-helixtrans-69.4-28.5176.8-176.5-98.5000113.6L143 R144 E145 Q149 P151 W175 F176 R179 R180 D183L143-Y147 VanDerWaalsContact O-CB 3.27Å; L143-Y147 WeakPolarHBondContact O-CB 3.43Å; L143-Y147 PolarHBondContact O-N 2.98Å; R144-Y147 WeakPolarHBondContact O-CB 3.24Å; R144-Y147 PolarHBondContact O-N 2.92Å; E145-Y147 PolarHBondContact O-N 2.95Å; Y147-Q149 VanDerWaalsContact C-N 3.33Å; Y147-P151 HydrophobicContact CD2-CB 4.21Å; Y147-P151 HydrophobicContact CE2-CB 3.78Å; Y147-P151 WeakPolarHBondContact O-CG 3.4Å; Y147-W175 HydrophobicContact CD2-CZ3 4.11Å; Y147-W175 HydrophobicContact CG-CH2 4.4Å; Y147-W175 HydrophobicContact CG-CZ3 4.18Å; Y147-F176 AromaticContact CD2-CD1 3.67Å; Y147-F176 HydrophobicContact CD2-CD1 3.67Å; Y147-F176 AromaticContact CD2-CE1 3.77Å; Y147-F176 HydrophobicContact CD2-CE1 3.77Å; Y147-F176 HydrophobicContact CE2-CD1 4.34Å; Y147-F176 HydrophobicContact CG-CE1 4.46Å; Y147-R179 HydrophobicContact CD1-CG 3.82Å; Y147-R179 HydrophobicContact CD2-CB 4.37Å; Y147-R179 HydrophobicContact CD2-CG 3.95Å; Y147-R179 HydrophobicContact CE1-CG 3.46Å; Y147-R179 VanDerWaalsContact CE1-CG 3.46Å; Y147-R179 HydrophobicContact CE2-CB 4Å; Y147-R179 HydrophobicContact CE2-CG 3.63Å; Y147-R179 HydrophobicContact CG-CG 4.04Å; Y147-R180 HydrophobicContact CE2-CG 3.77Å; Y147-R180 WeakPolarHBondContact OH-CA 3.43Å; Y147-R180 WeakPolarHBondContact OH-CG 3.3Å; Y147-D183 VanDerWaalsContact CE1-OD2 3.24Å; Y147-D183 WeakPolarHBondContact CE1-OD2 3.41Å; Y147-D183 VanDerWaalsContact CZ-OD2 3.27Å; Y147-D183 PolarHBondContact OH-OD2 3.19Å
148L94.2Very high93.6Very high142 Ų14278.4 Ų78.474%0.74337%0.369SS*.Hα-helixtrans-70.9-32173.5-63.7173.3000111.5R144 E145 W146R144-L148 PolarHBondContact O-N 3.44Å; E145-L148 WeakPolarHBondContact O-CB 3.27Å; E145-L148 PolarHBondContact O-N 3.3Å; E145-L148 VanDerWaalsContact O-N 3.07Å; W146-L148 VanDerWaalsContact C-N 3.33Å
149Q93.9Very high93.8Very high162 Ų16274 Ų7476%0.75735%0.352SS*.Hα-helixtrans-82.7-44.3179.8-56.5-64.3-8.500112.9W146 Y147W146-Q149 PolarHBondContact O-N 3.47Å; Y147-Q149 VanDerWaalsContact C-N 3.33Å
150D92.3Very high94Very high30 Ų3077.5 Ų77.516%0.1637%0.367CS..  trans-144.795.2-178.2-177.1-10.6000110.4W146 Y152 P153 K157 F176W146-D150 PolarHBondContact O-N 3.04Å; D150-Y152 PolarHBondContact O-N 3.26Å; D150-Y152 WeakPolarHBondContact OD1-CA 3.5Å; D150-Y152 PolarHBondContact OD1-N 2.96Å; D150-P153 WeakPolarHBondContact O-CD 3.43Å; D150-K157 VanDerWaalsContact OD2-CD 3.29Å; D150-K157 WeakPolarHBondContact OD2-CD 3.49Å; D150-K157 IonicContact OD2-NZ 3.37Å; D150-K157 PolarHBondContact OD2-NZ 2.65Å; D150-F176 WeakPolarHBondContact O-CE1 3.33Å
151P93.9Very high94.1Very high47 Ų4775.3 Ų75.331%0.30536%0.359SS..SBendtrans-67.6-9.1176.4-19.329.9000114.5Y147 R180Y147-P151 HydrophobicContact CD2-CB 4.21Å; Y147-P151 HydrophobicContact CE2-CB 3.78Å; Y147-P151 WeakPolarHBondContact O-CG 3.4Å; P151-R180 WeakPolarHBondContact O-CD 3.28Å; P151-R180 PolarHBondContact O-NH1 2.9Å
152Y95.6Very high94.2Very high157 Ų15770.9 Ų70.962%0.61634%0.34SS*.SBendtrans-132.850.4-171.3-70.5-95.3000113.3D150 N154 R180D150-Y152 PolarHBondContact O-N 3.26Å; D150-Y152 WeakPolarHBondContact OD1-CA 3.5Å; D150-Y152 PolarHBondContact OD1-N 2.96Å; Y152-N154 PolarHBondContact O-N 2.92Å; Y152-R180 VanDerWaalsContact CE1-NE 3.28Å
153P92.6Very high94.2Very high1 Ų176.4 Ų76.41%0.00636%0.364CS..  trans-60.7137.5-168.225-35.1000112.6D150 K157 K158 L161 F176D150-P153 WeakPolarHBondContact O-CD 3.43Å; P153-K157 HydrophobicContact CB-CB 3.83Å; P153-K157 HydrophobicContact CB-CD 4.28Å; P153-K158 HydrophobicContact CB-CG 4.36Å; P153-K158 HydrophobicContact CG-CG 4.18Å; P153-K158 WeakPolarHBondContact O-CE 3.27Å; P153-K158 PolarHBondContact O-NZ 2.58Å; P153-L161 HydrophobicContact CB-CD1 4.46Å; P153-L161 HydrophobicContact CG-CD1 4.46Å; P153-F176 VanDerWaalsContact CD-CD1 3.45Å; P153-F176 HydrophobicContact CG-CD1 3.72Å; P153-F176 HydrophobicContact CG-CD2 4.34Å; P153-F176 HydrophobicContact CG-CE1 3.69Å; P153-F176 HydrophobicContact CG-CE2 4.31Å; P153-F176 HydrophobicContact CG-CG 4.07Å; P153-F176 HydrophobicContact CG-CZ 4.01Å
154N94Very high94.2Very high81 Ų8179.7 Ų79.743%0.43339%0.391SS..  trans-66.8168.7178.775.939.8000112.5Y152 S156 K157 K158Y152-N154 PolarHBondContact O-N 2.92Å; N154-S156 PolarHBondContact O-N 2.69Å; N154-S156 VanDerWaalsContact O-N 3.16Å; N154-S156 WeakPolarHBondContact OD1-CA 3.49Å; N154-S156 WeakPolarHBondContact OD1-CB 3.21Å; N154-S156 PolarHBondContact OD1-N 3.01Å; N154-K157 PolarHBondContact O-N 3.05Å; N154-K157 PolarHBondContact OD1-N 3.26Å; N154-K158 WeakPolarHBondContact O-CG 3.47Å; N154-K158 PolarHBondContact O-N 3.06Å
155P94Very high94.1Very high94 Ų9475.8 Ų75.861%0.6138%0.378SS*.Hα-helixtrans-59.7-24.1-177.7-26.436.3000115.6R159P155-R159 PolarHBondContact O-N 3.24Å
156S94Very high94Very high62 Ų6273.6 Ų73.643%0.43439%0.386SS..Hα-helixtrans-80-49.1175.8-138.40000111.5N154 K158 R159 E160N154-S156 PolarHBondContact O-N 2.69Å; N154-S156 VanDerWaalsContact O-N 3.16Å; N154-S156 WeakPolarHBondContact OD1-CA 3.49Å; N154-S156 WeakPolarHBondContact OD1-CB 3.21Å; N154-S156 PolarHBondContact OD1-N 3.01Å; S156-K158 PolarHBondContact O-N 3.09Å; S156-R159 WeakPolarHBondContact O-CA 3.43Å; S156-R159 WeakPolarHBondContact O-CB 3.24Å; S156-R159 PolarHBondContact O-N 2.88Å; S156-R159 PolarHBondContact OG-NH1 2.67Å; S156-R159 PolarHBondContact OG-NH2 2.93Å; S156-E160 PolarHBondContact O-N 2.71Å
157K92.4Very high94Very high66 Ų6671.7 Ų71.729%0.28738%0.381SS..Hα-helixtrans-53.8-35.6171.7-72.5-173.1175.7-170.10112.1W146 D150 P153 N154 L161W146-K157 HydrophobicContact CZ3-CD 4.23Å; W146-K157 HydrophobicContact CZ3-CG 4.41Å; D150-K157 VanDerWaalsContact OD2-CD 3.29Å; D150-K157 WeakPolarHBondContact OD2-CD 3.49Å; D150-K157 IonicContact OD2-NZ 3.37Å; D150-K157 PolarHBondContact OD2-NZ 2.65Å; P153-K157 HydrophobicContact CB-CB 3.83Å; P153-K157 HydrophobicContact CB-CD 4.28Å; N154-K157 PolarHBondContact O-N 3.05Å; N154-K157 PolarHBondContact OD1-N 3.26Å; K157-L161 VanDerWaalsContact O-CB 3.27Å; K157-L161 WeakPolarHBondContact O-CB 3.41Å; K157-L161 WeakPolarHBondContact O-CG 3.38Å; K157-L161 PolarHBondContact O-N 2.87Å
158K94.3Very high93.9Very high59 Ų5973.6 Ų73.626%0.25740%0.396SS..Hα-helixtrans-66.3-31173.9-73.6-172.8-176.692.10114.1P153 N154 S156 A162P153-K158 HydrophobicContact CB-CG 4.36Å; P153-K158 HydrophobicContact CG-CG 4.18Å; P153-K158 WeakPolarHBondContact O-CE 3.27Å; P153-K158 PolarHBondContact O-NZ 2.58Å; N154-K158 WeakPolarHBondContact O-CG 3.47Å; N154-K158 PolarHBondContact O-N 3.06Å; S156-K158 PolarHBondContact O-N 3.09Å; K158-A162 VanDerWaalsContact O-CB 3.25Å; K158-A162 WeakPolarHBondContact O-CB 3.4Å; K158-A162 PolarHBondContact O-N 3.48Å; K158-A162 VanDerWaalsContact O-N 3.12Å
159R95.1Very high93.9Very high131 Ų13169.7 Ų69.749%0.49438%0.379SS..Hα-helixtrans-77.4-41.2175.1-80.9-172.9-89.190.3-3111.7P155 S156 A162 Q163 P169P155-R159 PolarHBondContact O-N 3.24Å; S156-R159 WeakPolarHBondContact O-CA 3.43Å; S156-R159 WeakPolarHBondContact O-CB 3.24Å; S156-R159 PolarHBondContact O-N 2.88Å; S156-R159 PolarHBondContact OG-NH1 2.67Å; S156-R159 PolarHBondContact OG-NH2 2.93Å; R159-A162 WeakPolarHBondContact O-CB 3.39Å; R159-A162 PolarHBondContact O-N 3.39Å; R159-Q163 WeakPolarHBondContact O-CG 3.38Å; R159-Q163 PolarHBondContact O-N 3.46Å; R159-P169 HydrophobicContact CG-CG 4.16Å
160E95.1Very high94Very high96 Ų9666.8 Ų66.845%0.44937%0.372SS..Hα-helixtrans-58.3-51.5171.8-179.7-173.1178.700111.2S156 A162 Q163 A164S156-E160 PolarHBondContact O-N 2.71Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 2.83Å; E160-Q163 WeakPolarHBondContact O-CB 3.39Å; E160-Q163 PolarHBondContact O-N 3.27Å; E160-A164 WeakPolarHBondContact O-CB 3.37Å; E160-A164 PolarHBondContact O-N 2.88Å
161L94.1Very high94.1Very high1 Ų169.2 Ų69.21%0.00538%0.382CS..Hα-helixtrans-57.9-40.3173.4-85.9166.2000112.8W146 P153 K157 A164 T165 V172 F176W146-L161 HydrophobicContact CB-CD2 4.02Å; W146-L161 HydrophobicContact CD2-CD1 4.29Å; W146-L161 HydrophobicContact CD2-CD2 3.74Å; W146-L161 HydrophobicContact CD2-CG 4.12Å; W146-L161 HydrophobicContact CE3-CD1 4.05Å; W146-L161 HydrophobicContact CE3-CD2 4.32Å; W146-L161 HydrophobicContact CE3-CG 4.2Å; W146-L161 HydrophobicContact CG-CD2 3.61Å; W146-L161 HydrophobicContact CG-CG 4.42Å; P153-L161 HydrophobicContact CB-CD1 4.46Å; P153-L161 HydrophobicContact CG-CD1 4.46Å; K157-L161 VanDerWaalsContact O-CB 3.27Å; K157-L161 WeakPolarHBondContact O-CB 3.41Å; K157-L161 WeakPolarHBondContact O-CG 3.38Å; K157-L161 PolarHBondContact O-N 2.87Å; L161-A164 PolarHBondContact O-N 3.5Å; L161-T165 VanDerWaalsContact O-CB 3.28Å; L161-T165 WeakPolarHBondContact O-CB 3.45Å; L161-T165 VanDerWaalsContact O-CG2 3.3Å; L161-T165 WeakPolarHBondContact O-CG2 3.35Å; L161-T165 PolarHBondContact O-N 3.3Å; L161-T165 PolarHBondContact O-OG1 3.08Å; L161-V172 HydrophobicContact CB-CG1 3.92Å; L161-V172 HydrophobicContact CB-CG2 4.47Å; L161-V172 HydrophobicContact CD1-CG1 4.16Å; L161-F176 HydrophobicContact CD1-CE2 3.87Å; L161-F176 HydrophobicContact CD1-CZ 3.9Å
162A95.6Very high94.1Very high8 Ų867 Ų677%0.06637%0.368CS..Hα-helixtrans-60.8-46.9176.700000111.6K158 R159 E160 T165 G166 L167 P169 V172K158-A162 VanDerWaalsContact O-CB 3.25Å; K158-A162 WeakPolarHBondContact O-CB 3.4Å; K158-A162 PolarHBondContact O-N 3.48Å; K158-A162 VanDerWaalsContact O-N 3.12Å; R159-A162 WeakPolarHBondContact O-CB 3.39Å; R159-A162 PolarHBondContact O-N 3.39Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 2.83Å; A162-T165 PolarHBondContact O-N 3.31Å; A162-T165 PolarHBondContact O-OG1 3.38Å; A162-G166 PolarHBondContact O-N 3.34Å; A162-L167 CarbonylContact C-O 3.55Å; A162-L167 WeakPolarHBondContact CA-O 3.42Å; A162-L167 WeakPolarHBondContact CB-O 3.27Å; A162-L167 PolarHBondContact O-N 3.44Å; A162-L167 VanDerWaalsContact O-O 3.13Å; A162-P169 HydrophobicContact CB-CB 4.34Å; A162-P169 HydrophobicContact CB-CG 3.75Å; A162-V172 HydrophobicContact CB-CG2 4.23Å
163Q94.8Very high94.1Very high163 Ų16360.4 Ų60.476%0.76235%0.348SS*.Hα-helixtrans-60.5-50.6174.5-70.5167.8-29.100111.5R159 E160 T165 G166R159-Q163 WeakPolarHBondContact O-CG 3.38Å; R159-Q163 PolarHBondContact O-N 3.46Å; E160-Q163 WeakPolarHBondContact O-CB 3.39Å; E160-Q163 PolarHBondContact O-N 3.27Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 3.22Å; Q163-G166 PolarHBondContact O-N 3.4Å
164A93.1Very high94.3Very high68 Ų6864 Ų6456%0.56237%0.367SS*.Hα-helixtrans-67.2-26.4-17800000114.2L142 E160 L161L142-A164 HydrophobicContact CD2-CB 4.08Å; E160-A164 WeakPolarHBondContact O-CB 3.37Å; E160-A164 PolarHBondContact O-N 2.88Å; L161-A164 PolarHBondContact O-N 3.5Å
165T92.4Very high94.3Very high13 Ų1361.8 Ų61.88%0.0835%0.352CS..Hα-helixtrans-95.4-12.9179.855.10000114.7T139 L142 L143 L161 A162 Q163 L167T139-T165 HydrophobicContact CG2-CG2 4.09Å; L142-T165 HydrophobicContact CD2-CG2 3.87Å; L142-T165 HydrophobicContact CG-CG2 4.33Å; L143-T165 HydrophobicContact CD2-CG2 4.08Å; L143-T165 HydrophobicContact CG-CG2 4.05Å; L161-T165 VanDerWaalsContact O-CB 3.28Å; L161-T165 WeakPolarHBondContact O-CB 3.45Å; L161-T165 VanDerWaalsContact O-CG2 3.3Å; L161-T165 WeakPolarHBondContact O-CG2 3.35Å; L161-T165 PolarHBondContact O-N 3.3Å; L161-T165 PolarHBondContact O-OG1 3.08Å; A162-T165 PolarHBondContact O-N 3.31Å; A162-T165 PolarHBondContact O-OG1 3.38Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 3.22Å; T165-L167 VanDerWaalsContact C-N 3.3Å; T165-L167 WeakPolarHBondContact OG1-CB 3.33Å; T165-L167 WeakPolarHBondContact OG1-CG 3.33Å
166G93.3Very high94.4Very high70 Ų7057.3 Ų57.372%0.72232%0.324SS*.THydrogen-bonded Turntrans68.426.6-169.300000113.6A162 Q163A162-G166 PolarHBondContact O-N 3.34Å; Q163-G166 PolarHBondContact O-N 3.4Å
167L93.6Very high94.5Very high28 Ų2859.4 Ų59.415%0.14733%0.325CS..SBendtrans-111.5164.8-179.4-62.8178.9000111.3F135 T139 L143 A162 T165 Q171 V172F135-L167 HydrophobicContact CD1-CD1 4.36Å; F135-L167 HydrophobicContact CD1-CD2 3.81Å; F135-L167 HydrophobicContact CD2-CD1 3.79Å; F135-L167 HydrophobicContact CE1-CD1 4.16Å; F135-L167 HydrophobicContact CE1-CD2 3.74Å; F135-L167 HydrophobicContact CE2-CD1 3.53Å; F135-L167 HydrophobicContact CG-CD1 4.2Å; F135-L167 HydrophobicContact CG-CD2 4.3Å; F135-L167 HydrophobicContact CZ-CD1 3.75Å; F135-L167 HydrophobicContact CZ-CD2 4.16Å; T139-L167 HydrophobicContact CG2-CD1 3.7Å; T139-L167 HydrophobicContact CG2-CD2 4.47Å; T139-L167 HydrophobicContact CG2-CG 4.06Å; L143-L167 HydrophobicContact CD1-CD1 3.96Å; A162-L167 CarbonylContact C-O 3.55Å; A162-L167 WeakPolarHBondContact CA-O 3.42Å; A162-L167 WeakPolarHBondContact CB-O 3.27Å; A162-L167 PolarHBondContact O-N 3.44Å; A162-L167 VanDerWaalsContact O-O 3.13Å; T165-L167 VanDerWaalsContact C-N 3.3Å; T165-L167 WeakPolarHBondContact OG1-CB 3.33Å; T165-L167 WeakPolarHBondContact OG1-CG 3.33Å; L167-Q171 HydrophobicContact CB-CB 4.22Å; L167-V172 HydrophobicContact CB-CG2 4.06Å; L167-V172 HydrophobicContact CD1-CG2 4.29Å
168T94.4Very high94.7Very high67 Ų6759.7 Ų59.741%0.41133%0.33SS..  trans-74.2150166.161.40000111.3T170 Q171 V172T168-T170 PolarHBondContact O-N 3.06Å; T168-T170 VanDerWaalsContact O-N 3.1Å; T168-Q171 WeakPolarHBondContact O-CB 3.49Å; T168-Q171 PolarHBondContact O-N 2.98Å; T168-Q171 WeakPolarHBondContact OG1-CB 3.46Å; T168-Q171 VanDerWaalsContact OG1-CG 3.31Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.3Å; T168-Q171 PolarHBondContact OG1-N 3.4Å; T168-Q171 VanDerWaalsContact OG1-N 3.14Å; T168-Q171 PolarHBondContact OG1-OE1 2.91Å; T168-V172 PolarHBondContact O-N 3.04Å; T168-V172 VanDerWaalsContact O-N 3.09Å
169P94.5Very high94.7Very high60 Ų6061.2 Ų61.239%0.3933%0.334SS..Hα-helixtrans-55.3-29.2172.8-26.334.9000113.5R159 A162 G173R159-P169 HydrophobicContact CG-CG 4.16Å; A162-P169 HydrophobicContact CB-CB 4.34Å; A162-P169 HydrophobicContact CB-CG 3.75Å; P169-G173 PolarHBondContact O-N 3.42Å
170T95Very high94.8Very high100 Ų10057.5 Ų57.561%0.61332%0.32SS*.Hα-helixtrans-68.9-42.7174.6-53.30000112.4T168 G173 N174T168-T170 PolarHBondContact O-N 3.06Å; T168-T170 VanDerWaalsContact O-N 3.1Å; T170-G173 PolarHBondContact O-N 2.7Å; T170-N174 WeakPolarHBondContact O-CB 3.43Å; T170-N174 PolarHBondContact O-N 3.05Å; T170-N174 PolarHBondContact O-ND2 3.4Å
171Q94.1Very high94.8Very high81 Ų8157.4 Ų57.438%0.37932%0.319SS..Hα-helixtrans-63.2-43.9173.8-79.3161-48.100111.6F135 L167 T168 N174 W175F135-Q171 HydrophobicContact CZ-CB 4.09Å; F135-Q171 HydrophobicContact CZ-CG 4.5Å; L167-Q171 HydrophobicContact CB-CB 4.22Å; T168-Q171 WeakPolarHBondContact O-CB 3.49Å; T168-Q171 PolarHBondContact O-N 2.98Å; T168-Q171 WeakPolarHBondContact OG1-CB 3.46Å; T168-Q171 VanDerWaalsContact OG1-CG 3.31Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.3Å; T168-Q171 PolarHBondContact OG1-N 3.4Å; T168-Q171 VanDerWaalsContact OG1-N 3.14Å; T168-Q171 PolarHBondContact OG1-OE1 2.91Å; Q171-N174 PolarHBondContact O-N 3.5Å; Q171-W175 WeakPolarHBondContact O-CB 3.33Å; Q171-W175 PolarHBondContact O-N 3.3Å
172V95Very high94.8Very high0 Ų063.7 Ų63.70%034%0.343CS..Hα-helixtrans-60.1-51.7174.1178.50000110.4L143 L161 A162 L167 T168 N174 W175 F176L143-V172 HydrophobicContact CD2-CG1 4.24Å; L161-V172 HydrophobicContact CB-CG1 3.92Å; L161-V172 HydrophobicContact CB-CG2 4.47Å; L161-V172 HydrophobicContact CD1-CG1 4.16Å; A162-V172 HydrophobicContact CB-CG2 4.23Å; L167-V172 HydrophobicContact CB-CG2 4.06Å; L167-V172 HydrophobicContact CD1-CG2 4.29Å; T168-V172 PolarHBondContact O-N 3.04Å; T168-V172 VanDerWaalsContact O-N 3.09Å; V172-N174 VanDerWaalsContact C-N 3.31Å; V172-N174 PolarHBondContact O-N 3.02Å; V172-W175 PolarHBondContact O-N 2.95Å; V172-W175 VanDerWaalsContact O-N 3.12Å; V172-F176 HydrophobicContact CG1-CD2 3.87Å; V172-F176 HydrophobicContact CG1-CE2 3.88Å; V172-F176 WeakPolarHBondContact O-CD2 3.29Å; V172-F176 PolarHBondContact O-N 3.17Å
173G95.4Very high94.7Very high19 Ų1965.5 Ų65.520%0.19635%0.351CS..Hα-helixtrans-56.8-41.8178.600000113.5P169 T170 K177P169-G173 PolarHBondContact O-N 3.42Å; T170-G173 PolarHBondContact O-N 2.7Å; G173-K177 WeakPolarHBondContact O-CB 3.41Å; G173-K177 PolarHBondContact O-N 2.87Å
174N95.3Very high94.8Very high76 Ų7664.7 Ų64.741%0.40634%0.341SS..Hα-helixtrans-68.5-39.6175.1-77.8-29.7000112.6T170 Q171 V172 K177 N178T170-N174 WeakPolarHBondContact O-CB 3.43Å; T170-N174 PolarHBondContact O-N 3.05Å; T170-N174 PolarHBondContact O-ND2 3.4Å; Q171-N174 PolarHBondContact O-N 3.5Å; V172-N174 VanDerWaalsContact C-N 3.31Å; V172-N174 PolarHBondContact O-N 3.02Å; N174-K177 PolarHBondContact O-N 2.89Å; N174-N178 VanDerWaalsContact O-CB 3.27Å; N174-N178 WeakPolarHBondContact O-CB 3.31Å; N174-N178 PolarHBondContact O-N 3.31Å; N174-N178 PolarHBondContact O-ND2 2.92Å; N174-N178 PolarHBondContact O-OD1 3.3Å
175W95.4Very high94.7Very high35 Ų3564.4 Ų64.413%0.13334%0.339CS..Hα-helixtrans-60.8-47.7176.2-174.9101.2000111.4F135 L143 R144 Y147 Q171 V172 K177 N178 R179F135-W175 AromaticContact CD2-CD1 3.95Å; F135-W175 HydrophobicContact CE2-CB 4.18Å; F135-W175 AromaticContact CE2-CD1 3.61Å; F135-W175 HydrophobicContact CE2-CG 4.17Å; L143-W175 VanDerWaalsContact C-CH2 3.48Å; L143-W175 HydrophobicContact CB-CD2 3.99Å; L143-W175 HydrophobicContact CB-CE3 4.04Å; L143-W175 HydrophobicContact CB-CH2 3.87Å; L143-W175 HydrophobicContact CB-CZ2 3.76Å; L143-W175 HydrophobicContact CB-CZ3 3.99Å; L143-W175 HydrophobicContact CD1-CD2 4.04Å; L143-W175 HydrophobicContact CD1-CG 3.96Å; L143-W175 HydrophobicContact CD2-CE3 4.43Å; L143-W175 HydrophobicContact CG-CD2 4.44Å; L143-W175 WeakPolarHBondContact O-CH2 3.42Å; L143-W175 WeakPolarHBondContact O-CZ3 3.45Å; R144-W175 HydrophobicContact CG-CZ2 4.33Å; Y147-W175 HydrophobicContact CD2-CZ3 4.11Å; Y147-W175 HydrophobicContact CG-CH2 4.4Å; Y147-W175 HydrophobicContact CG-CZ3 4.18Å; Q171-W175 WeakPolarHBondContact O-CB 3.33Å; Q171-W175 PolarHBondContact O-N 3.3Å; V172-W175 PolarHBondContact O-N 2.95Å; V172-W175 VanDerWaalsContact O-N 3.12Å; W175-K177 PolarHBondContact O-N 3.02Å; W175-N178 PolarHBondContact O-N 2.88Å; W175-R179 HydrophobicContact CE3-CB 4.4Å; W175-R179 HydrophobicContact CH2-CB 4.34Å; W175-R179 HydrophobicContact CH2-CG 4.22Å; W175-R179 HydrophobicContact CZ3-CB 4.13Å; W175-R179 HydrophobicContact CZ3-CG 4.35Å; W175-R179 WeakPolarHBondContact O-CB 3.46Å; W175-R179 PolarHBondContact O-N 3.07Å
176F96.6Very high94.7Very high1 Ų166.2 Ų66.20%0.00436%0.355CS..Hα-helixtrans-63-43.1177.6-87.2-99.4000111.9L143 W146 Y147 D150 P153 L161 V172 N178 R179 R180L143-F176 HydrophobicContact CD2-CE2 3.84Å; W146-F176 HydrophobicContact CB-CZ 4.33Å; Y147-F176 AromaticContact CD2-CD1 3.67Å; Y147-F176 HydrophobicContact CD2-CD1 3.67Å; Y147-F176 AromaticContact CD2-CE1 3.77Å; Y147-F176 HydrophobicContact CD2-CE1 3.77Å; Y147-F176 HydrophobicContact CE2-CD1 4.34Å; Y147-F176 HydrophobicContact CG-CE1 4.46Å; D150-F176 WeakPolarHBondContact O-CE1 3.33Å; P153-F176 VanDerWaalsContact CD-CD1 3.45Å; P153-F176 HydrophobicContact CG-CD1 3.72Å; P153-F176 HydrophobicContact CG-CD2 4.34Å; P153-F176 HydrophobicContact CG-CE1 3.69Å; P153-F176 HydrophobicContact CG-CE2 4.31Å; P153-F176 HydrophobicContact CG-CG 4.07Å; P153-F176 HydrophobicContact CG-CZ 4.01Å; L161-F176 HydrophobicContact CD1-CE2 3.87Å; L161-F176 HydrophobicContact CD1-CZ 3.9Å; V172-F176 HydrophobicContact CG1-CD2 3.87Å; V172-F176 HydrophobicContact CG1-CE2 3.88Å; V172-F176 WeakPolarHBondContact O-CD2 3.29Å; V172-F176 PolarHBondContact O-N 3.17Å; F176-N178 PolarHBondContact O-N 3.44Å; F176-R179 PolarHBondContact O-N 3.2Å; F176-R180 PolarHBondContact O-N 3.2Å; F176-R180 VanDerWaalsContact O-N 3.08Å
177K95.9Very high94.6Very high105 Ų10565 Ų6546%0.45734%0.339SS..Hα-helixtrans-56.9-48173.1178.1-178176.2-178.30111.5G173 N174 W175 R180 Q181G173-K177 WeakPolarHBondContact O-CB 3.41Å; G173-K177 PolarHBondContact O-N 2.87Å; N174-K177 PolarHBondContact O-N 2.89Å; W175-K177 PolarHBondContact O-N 3.02Å; K177-R180 PolarHBondContact O-N 3.12Å; K177-Q181 WeakPolarHBondContact O-CG 3.27Å; K177-Q181 PolarHBondContact O-N 2.97Å
178N94.9Very high94.5Very high73 Ų7366.1 Ų66.139%0.3935%0.352SS..Hα-helixtrans-74-26.4-176.8-65.6-3000112.6N174 W175 F176 R182N174-N178 VanDerWaalsContact O-CB 3.27Å; N174-N178 WeakPolarHBondContact O-CB 3.31Å; N174-N178 PolarHBondContact O-N 3.31Å; N174-N178 PolarHBondContact O-ND2 2.92Å; N174-N178 PolarHBondContact O-OD1 3.3Å; W175-N178 PolarHBondContact O-N 2.88Å; F176-N178 PolarHBondContact O-N 3.44Å; N178-R182 WeakPolarHBondContact O-CG 3.49Å; N178-R182 PolarHBondContact O-N 3.2Å; N178-R182 PolarHBondContact O-NE 3.16Å
179R95.4Very high94.2Very high91 Ų9169.6 Ų69.634%0.34336%0.361SS..Hα-helixtrans-67.8-55.7169.5-176.457.8165.6150.6-12.2110.3Y147 W175 F176 Q181 R182 D183Y147-R179 HydrophobicContact CD1-CG 3.82Å; Y147-R179 HydrophobicContact CD2-CB 4.37Å; Y147-R179 HydrophobicContact CD2-CG 3.95Å; Y147-R179 HydrophobicContact CE1-CG 3.46Å; Y147-R179 VanDerWaalsContact CE1-CG 3.46Å; Y147-R179 HydrophobicContact CE2-CB 4Å; Y147-R179 HydrophobicContact CE2-CG 3.63Å; Y147-R179 HydrophobicContact CG-CG 4.04Å; W175-R179 HydrophobicContact CE3-CB 4.4Å; W175-R179 HydrophobicContact CH2-CB 4.34Å; W175-R179 HydrophobicContact CH2-CG 4.22Å; W175-R179 HydrophobicContact CZ3-CB 4.13Å; W175-R179 HydrophobicContact CZ3-CG 4.35Å; W175-R179 WeakPolarHBondContact O-CB 3.46Å; W175-R179 PolarHBondContact O-N 3.07Å; F176-R179 PolarHBondContact O-N 3.2Å; R179-Q181 PolarHBondContact O-N 3.23Å; R179-Q181 VanDerWaalsContact O-N 3.09Å; R179-R182 PolarHBondContact O-N 3.12Å; R179-D183 WeakPolarHBondContact CD-OD1 3.47Å; R179-D183 IonicContact CZ-OD1 3.05Å; R179-D183 IonicContact CZ-OD2 3.34Å; R179-D183 IonicContact NE-OD1 3.04Å; R179-D183 IonicContact NE-OD2 3.26Å; R179-D183 IonicContact NH1-OD1 3.83Å; R179-D183 PolarHBondContact NH1-OD1 2.94Å; R179-D183 PolarHBondContact O-N 2.94Å
180R97.2Very high93.8Very high53 Ų5371 Ų7120%0.237%0.365CS..Hα-helixtrans-55.5-32.2176.7-65.9-163.6-57.6-81.30.1113.7Y147 P151 Y152 F176 K177 R184Y147-R180 HydrophobicContact CE2-CG 3.77Å; Y147-R180 WeakPolarHBondContact OH-CA 3.43Å; Y147-R180 WeakPolarHBondContact OH-CG 3.3Å; P151-R180 WeakPolarHBondContact O-CD 3.28Å; P151-R180 PolarHBondContact O-NH1 2.9Å; Y152-R180 VanDerWaalsContact CE1-NE 3.28Å; F176-R180 PolarHBondContact O-N 3.2Å; F176-R180 VanDerWaalsContact O-N 3.08Å; K177-R180 PolarHBondContact O-N 3.12Å; R180-R184 WeakPolarHBondContact O-CG 3.45Å; R180-R184 PolarHBondContact O-N 2.65Å; R180-R184 PolarHBondContact O-NH1 3.19Å
181Q95.6Very high93.5Very high93 Ų9374.8 Ų74.844%0.43537%0.368SS..Hα-helixtrans-68.6-45173.9-79.2178.9-24.400113K177 R179 D183 A185K177-Q181 WeakPolarHBondContact O-CG 3.27Å; K177-Q181 PolarHBondContact O-N 2.97Å; R179-Q181 PolarHBondContact O-N 3.23Å; R179-Q181 VanDerWaalsContact O-N 3.09Å; Q181-D183 VanDerWaalsContact C-N 3.34Å; Q181-A185 PolarHBondContact O-N 2.69Å; Q181-A185 VanDerWaalsContact O-N 3.13Å
182R94.2Very high93Very high134 Ų13476.1 Ų76.151%0.50638%0.378SS..Hα-helixtrans-62.7-41.9176.7-77.7173.4-74.4179.61.3111.6N178 R179 R184 A185 A186N178-R182 WeakPolarHBondContact O-CG 3.49Å; N178-R182 PolarHBondContact O-N 3.2Å; N178-R182 PolarHBondContact O-NE 3.16Å; R179-R182 PolarHBondContact O-N 3.12Å; R182-R184 PolarHBondContact O-N 3.45Å; R182-A185 WeakPolarHBondContact O-CB 3.46Å; R182-A185 PolarHBondContact O-N 3.44Å; R182-A185 VanDerWaalsContact O-N 3.14Å; R182-A186 PolarHBondContact O-N 2.88Å
183D93.6Very high92.3Very high46 Ų4681.1 Ų81.125%0.24640%0.401CS..Hα-helixtrans-67.3-39.2-176.6-56.1-7000111.4Y147 R179 Q181 A186 A187Y147-D183 VanDerWaalsContact CE1-OD2 3.24Å; Y147-D183 WeakPolarHBondContact CE1-OD2 3.41Å; Y147-D183 VanDerWaalsContact CZ-OD2 3.27Å; Y147-D183 PolarHBondContact OH-OD2 3.19Å; R179-D183 WeakPolarHBondContact CD-OD1 3.47Å; R179-D183 IonicContact CZ-OD1 3.05Å; R179-D183 IonicContact CZ-OD2 3.34Å; R179-D183 IonicContact NE-OD1 3.04Å; R179-D183 IonicContact NE-OD2 3.26Å; R179-D183 IonicContact NH1-OD1 3.83Å; R179-D183 PolarHBondContact NH1-OD1 2.94Å; R179-D183 PolarHBondContact O-N 2.94Å; Q181-D183 VanDerWaalsContact C-N 3.34Å; D183-A186 PolarHBondContact O-N 3.09Å; D183-A187 WeakPolarHBondContact O-CB 3.47Å; D183-A187 PolarHBondContact O-N 3.1Å
184R95.7Very high91.4Very high146 Ų14686.7 Ų86.755%0.55142%0.422SS*.Hα-helixtrans-65.2-37.5171-72.3-164.5-54.4-80.46.7113.1R180 R182 A187 A188R180-R184 WeakPolarHBondContact O-CG 3.45Å; R180-R184 PolarHBondContact O-N 2.65Å; R180-R184 PolarHBondContact O-NH1 3.19Å; R182-R184 PolarHBondContact O-N 3.45Å; R184-A187 PolarHBondContact O-N 2.76Å; R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.45Å
185A91.4Very high90.5Very high62 Ų6289.2 Ų89.251%0.51243%0.431SS..Hα-helixtrans-67-40.2176.800000111.9Q181 R182 A188 K189Q181-A185 PolarHBondContact O-N 2.69Å; Q181-A185 VanDerWaalsContact O-N 3.13Å; R182-A185 WeakPolarHBondContact O-CB 3.46Å; R182-A185 PolarHBondContact O-N 3.44Å; R182-A185 VanDerWaalsContact O-N 3.14Å; A185-A188 PolarHBondContact O-N 2.6Å; A185-K189 PolarHBondContact O-N 2.92Å
186A91.4Very high89.4Confident50 Ų5093.1 Ų93.141%0.41346%0.459SS..Hα-helixtrans-63.5-46.6173.300000111.7R182 D183 A188 K189 N190R182-A186 PolarHBondContact O-N 2.88Å; D183-A186 PolarHBondContact O-N 3.09Å; A186-A188 VanDerWaalsContact C-N 3.31Å; A186-A188 PolarHBondContact O-N 3Å; A186-K189 PolarHBondContact O-N 3.39Å; A186-N190 VanDerWaalsContact O-CG 3.32Å; A186-N190 PolarHBondContact O-N 3.34Å; A186-N190 PolarHBondContact O-OD1 3.14Å
187A92.2Very high88.2Confident46 Ų4699.5 Ų99.538%0.3849%0.492SS..Hα-helixtrans-59.9-38.9176.100000112.8D183 R184 R191D183-A187 WeakPolarHBondContact O-CB 3.47Å; D183-A187 PolarHBondContact O-N 3.1Å; R184-A187 PolarHBondContact O-N 2.76Å; A187-R191 WeakPolarHBondContact O-CG 3.25Å; A187-R191 PolarHBondContact O-N 3.06Å; A187-R191 VanDerWaalsContact O-N 3.12Å
188A90.4Very high86.6Confident51 Ų5198.9 Ų98.942%0.42150%0.501SS..Hα-helixtrans-65.4-44.2174.500000112.3R184 A185 A186 N190 R191 L192R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.45Å; A185-A188 PolarHBondContact O-N 2.6Å; A186-A188 VanDerWaalsContact C-N 3.31Å; A186-A188 PolarHBondContact O-N 3Å; A188-N190 PolarHBondContact O-N 3.47Å; A188-R191 PolarHBondContact O-N 3.05Å; A188-L192 WeakPolarHBondContact O-CG 3.4Å; A188-L192 PolarHBondContact O-N 2.93Å; A188-L192 VanDerWaalsContact O-N 3.13Å
189K88.9Confident84.6Confident139 Ų13998.4 Ų98.460%0.60451%0.514SS*.Hα-helixtrans-59.7-46.2175.4-172.2-170.2174.5-167.10111.5A185 A186 R191 L192 Q193A185-K189 PolarHBondContact O-N 2.92Å; A186-K189 PolarHBondContact O-N 3.39Å; K189-R191 VanDerWaalsContact C-N 3.34Å; K189-R191 PolarHBondContact O-N 3.42Å; K189-L192 PolarHBondContact O-N 3.32Å; K189-Q193 PolarHBondContact O-N 3.01Å
190N87.1Confident82.2Confident90 Ų9097.6 Ų97.648%0.48153%0.533SS..Hα-helixtrans-64.8-37.6-178.3-68.3-2.1000112.1A186 A188 Q193 Q194A186-N190 VanDerWaalsContact O-CG 3.32Å; A186-N190 PolarHBondContact O-N 3.34Å; A186-N190 PolarHBondContact O-OD1 3.14Å; A188-N190 PolarHBondContact O-N 3.47Å; N190-Q193 PolarHBondContact O-N 2.87Å; N190-Q194 WeakPolarHBondContact O-CG 3.49Å; N190-Q194 PolarHBondContact O-N 2.9Å
191R87.7Confident79.8Confident179 Ų179100 Ų10068%0.67556%0.559SS**Hα-helixtrans-63.1-45.4173.7-74.2173.4180-166.8-1.6112.4A187 A188 K189 Q193 Q194 Q195A187-R191 WeakPolarHBondContact O-CG 3.25Å; A187-R191 PolarHBondContact O-N 3.06Å; A187-R191 VanDerWaalsContact O-N 3.12Å; A188-R191 PolarHBondContact O-N 3.05Å; K189-R191 VanDerWaalsContact C-N 3.34Å; K189-R191 PolarHBondContact O-N 3.42Å; R191-Q193 VanDerWaalsContact C-N 3.31Å; R191-Q193 PolarHBondContact O-N 3.17Å; R191-Q194 PolarHBondContact O-N 2.98Å; R191-Q195 WeakPolarHBondContact O-CG 3.49Å; R191-Q195 PolarHBondContact O-N 3.16Å
192L83.1Confident77.4Confident110 Ų110102 Ų10258%0.57658%0.576SS**Hα-helixtrans-60.5-41.7175.3-71.9165.8000111.4A188 K189 Q195 V196A188-L192 WeakPolarHBondContact O-CG 3.4Å; A188-L192 PolarHBondContact O-N 2.93Å; A188-L192 VanDerWaalsContact O-N 3.13Å; K189-L192 PolarHBondContact O-N 3.32Å; L192-Q195 PolarHBondContact O-N 3.5Å; L192-V196 WeakPolarHBondContact O-CG2 3.4Å; L192-V196 PolarHBondContact O-N 3.12Å
193Q80.2Confident75.1Confident104 Ų104107.8 Ų107.849%0.48660%0.598SS.*Hα-helixtrans-66.5-40178.4-168.4166.3-6.600112.3K189 N190 R191 V196 L197K189-Q193 PolarHBondContact O-N 3.01Å; N190-Q193 PolarHBondContact O-N 2.87Å; R191-Q193 VanDerWaalsContact C-N 3.31Å; R191-Q193 PolarHBondContact O-N 3.17Å; Q193-V196 PolarHBondContact O-N 2.89Å; Q193-L197 HydrophobicContact CG-CD1 4.32Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 3.21Å
194Q76.5Confident72.5Confident136 Ų136111 Ų11164%0.63662%0.624SS**Hα-helixtrans-64.7-36.6172.2-75.9179.3-16.500112.7N190 R191 L197 S198N190-Q194 WeakPolarHBondContact O-CG 3.49Å; N190-Q194 PolarHBondContact O-N 2.9Å; R191-Q194 PolarHBondContact O-N 2.98Å; Q194-L197 PolarHBondContact O-N 2.99Å; Q194-S198 VanDerWaalsContact O-CB 3.25Å; Q194-S198 WeakPolarHBondContact O-CB 3.21Å; Q194-S198 PolarHBondContact O-N 3.34Å
195Q76.2Confident69.7Low129 Ų129111.9 Ų111.960%0.60364%0.639SS**Hα-helixtrans-66.4-39.3175.4-75173.4-18.900112.4R191 L192 G199R191-Q195 WeakPolarHBondContact O-CG 3.49Å; R191-Q195 PolarHBondContact O-N 3.16Å; L192-Q195 PolarHBondContact O-N 3.5Å; Q195-G199 PolarHBondContact O-N 3.26Å
196V74.3Confident67Low118 Ų118113.8 Ų113.872%0.71566%0.655SS**Hα-helixtrans-64.8-41173.9171.50000111.6L192 Q193L192-V196 WeakPolarHBondContact O-CG2 3.4Å; L192-V196 PolarHBondContact O-N 3.12Å; Q193-V196 PolarHBondContact O-N 2.89Å
197L69.4Low64.2Low135 Ų135119 Ų11971%0.70768%0.676SS**Hα-helixtrans-70.9-38.5178.7-68.7167000112.8Q193 Q194Q193-L197 HydrophobicContact CG-CD1 4.32Å; Q193-L197 VanDerWaalsContact O-CG 3.3Å; Q193-L197 WeakPolarHBondContact O-CG 3.39Å; Q193-L197 PolarHBondContact O-N 3.21Å; Q194-L197 PolarHBondContact O-N 2.99Å
198S62.6Low61.6Low92 Ų92125.6 Ų125.664%0.64370%0.699SS**Hα-helixtrans-78.2-28.9178.6-170.60000113.1Q194 G200Q194-S198 VanDerWaalsContact O-CB 3.25Å; Q194-S198 WeakPolarHBondContact O-CB 3.21Å; Q194-S198 PolarHBondContact O-N 3.34Å; S198-G200 PolarHBondContact O-N 2.9Å
199G53.4Low58.7Low63 Ų63129.8 Ų129.865%0.64971%0.714SS**THydrogen-bonded Turntrans-68.7-9.9-179.100000115.4Q195 S201Q195-G199 PolarHBondContact O-N 3.26Å; G199-S201 VanDerWaalsContact C-N 3.31Å; G199-S201 PolarHBondContact O-N 3.44Å
200G46.1Very low55.9Low74 Ų74126.6 Ų126.676%0.76372%0.721SS**THydrogen-bonded Turntrans-78.3-2.6-179.800000115.9S198S198-G200 PolarHBondContact O-N 2.9Å
201S46.2Very low53.5Low104 Ų104128.1 Ų128.173%0.72773%0.734SS**SBendtrans-135.425.2-162-164.60000116.8G199G199-S201 VanDerWaalsContact C-N 3.31Å; G199-S201 PolarHBondContact O-N 3.44Å
202V45.8Very low50.9Low133 Ų133126.7 Ų126.781%0.80674%0.744SS**  trans-140.872.3171.1-164.90000112.8
203R44.7Very low48.5Very low256 Ų256128.9 Ų128.997%0.96676%0.757SS**  trans-154.975.8158.1-80.6-153.1173.8-175.6-3.4112.1
204S40.4Very low46.2Very low113 Ų113135.8 Ų135.879%0.7978%0.778SS**  trans-163.1167.8156.1-162.30000110.1
205L36.7Very low44Very low166 Ų166137.8 Ų137.887%0.86979%0.792SS**  trans70.977.8174-52.4-179.5000117
206A33.2Very low41.7Very low102 Ų102135.3 Ų135.384%0.84380%0.801SS**  trans-156.4110.8131.400000108.5
207D33Very low39.7Very low159 Ų159137 Ų13785%0.8581%0.806SS**  trans-139171.4175-98.5-52.4000108
208E37.6Very low37.9Very low185 Ų185134.8 Ų134.886%0.86480%0.802SS**  trans71.2139.4-171.2-49.4-83.496.600114.6
209D30.3Very low36.5Very low138 Ų138136 Ų13674%0.73881%0.81SS**  cis-155.8161.3-27.5175.937.7000107.2
210G29.5Very low35.5Very low72 Ų72138.5 Ų138.574%0.74282%0.818SS**  trans172.685.4176.900000115.1
211T35.7Very low35.5Very low123 Ų123140.9 Ų140.976%0.75582%0.82SS**  trans-84132.4-179.433.30000114.5
212V34.1Very low34.7Very low148 Ų148143.7 Ų143.790%0.89782%0.821SS**  trans-164.5148.3146.7-102.20000111.7
213D31.6Very low34Very low157 Ų157141.1 Ų141.184%0.8482%0.815SS**  trans-74.7148.1-172.4-58.3-93.7000116.8
214R32.3Very low33.3Very low249 Ų249134.1 Ų134.194%0.9481%0.805SS**  -160143.1121.2-121.2173.6170.8175.2-4.1116.2
215L30Very low32.9Very low178 Ų178137.2 Ų137.293%0.93281%0.812SS**  trans-58.8148.3178.3-57.7157.2000113.9
216G29.8Very low32.7Very low76 Ų76135.1 Ų135.178%0.78481%0.811SS**  trans-169.921.7-176.100000123.9
217N31.6Very low32.7Very low154 Ų154135 Ų13582%0.82480%0.804SS**  trans63.8110155-155.452.5000122.4
218S31.3Very low32.8Very low88 Ų88137.1 Ų137.162%0.61581%0.805SS**  trans43.8120.3143.2690000123.2
219S32.7Very low32.5Very low117 Ų117133.3 Ų133.382%0.81881%0.805SS**  167.7139.1103.9-71.30000113.1
220S32.1Very low32.6Very low117 Ų117131.6 Ų131.682%0.81881%0.81SS**  trans-142.5174176.7-51.70000109.4
221P47.2Very low32.7Very low123 Ų123133.1 Ų133.180%0.79982%0.816SS**  cis-106.1-147.5-16.337.7-20.6000108.9
222E28.5Very low32.4Very low163 Ų163132.5 Ų132.576%0.76282%0.817SS**  cis-150.9-174-2.9-131.6-124.2120.800105.6S224E222-S224 PolarHBondContact OE1-N 3.07Å
223A32Very low32.4Very low80 Ų80130.2 Ų130.266%0.66181%0.814SS**  cis-145.4172.811.300000113
224S29.9Very low32.6Very low108 Ų108130 Ų13076%0.75581%0.811SS**  trans-91.6144-177.6-59.30000114.7E222E222-S224 PolarHBondContact OE1-N 3.07Å
225L32.7Very low32.6Very low179 Ų179123.7 Ų123.794%0.93780%0.804SS**  trans-117.5131.1157.6-85.6174.4000110.1
226S32.2Very low32.7Very low122 Ų122122.6 Ų122.685%0.85380%0.798SS**  trans-78.9140.4-167.6-169.60000113.1
227S33Very low32.7Very low99 Ų99125.5 Ų125.569%0.69280%0.801SS**  trans-85.2151.9172.461.10000111.8
228K35.3Very low32.8Very low203 Ų203123.4 Ų123.488%0.88380%0.798SS**  -175.3126.6125.9-99.9154.6-173.4175.80111.4
229A30.5Very low32.7Very low105 Ų105124.7 Ų124.787%0.86881%0.807SS**  trans-91.1149.4161.800000109.3
230A32.1Very low33.1Very low102 Ų102126.9 Ų126.984%0.84381%0.81SS**  trans-117.6124.6167.400000108.4
231A32.3Very low33.2Very low104 Ų104125.5 Ų125.586%0.8680%0.8SS**PPolyproline II helixtrans-92.5127.9-18000000110.5
232S30.2Very low32.8Very low111 Ų111128.2 Ų128.278%0.77680%0.802SS**PPolyproline II helixtrans-76.6123.4168-61.40000110
233A33.9Very low33.6Very low100 Ų100123.7 Ų123.783%0.82679%0.788SS**PPolyproline II helixtrans-66.2134.6164.200000109.7
234I35.3Very low33.8Very low153 Ų153125.9 Ų125.979%0.78579%0.788SS**  trans-124.997.2172.8-52.8178.4000107.4
235S31.5Very low34.3Very low115 Ų115132.1 Ų132.180%0.80481%0.811SS**  trans-64.5135.6173.7-58.40000110.4
236I31.9Very low34.4Very low156 Ų156129.8 Ų129.880%0.880%0.804SS**  trans-84.4124.5179.1-61.8168.5000109.1
237T31.5Very low34.5Very low136 Ų136130.2 Ų130.283%0.83480%0.802SS**  trans-117121.4151.548.40000108.7
238S33.2Very low34.6Very low111 Ų111131.9 Ų131.978%0.77681%0.808SS**  trans-92.2116.6174.3176.80000108.6
239S28.5Very low34.5Very low115 Ų115127.7 Ų127.780%0.80480%0.803SS**  trans-147.6107.2167.1-66.20000108.9
240D41.8Very low34.8Very low163 Ų163129.1 Ų129.187%0.87280%0.799SS**  trans-90.8100.9172.3-172.419.4000107.5
241S34.2Very low34.9Very low88 Ų88130.9 Ų130.962%0.61580%0.796SS**  trans-154.5120.5172.2-111.20000112.2
242E38.6Very low35.1Very low180 Ų180132.9 Ų132.984%0.84179%0.792SS**  trans65-172138.3-72.4157.210600120.3
243C44.8Very low35.5Very low68 Ų68134.5 Ų134.546%0.45979%0.793SS.*  trans-112168.9-155.1-65.70000113.3
244D36.5Very low35.6Very low125 Ų125137.4 Ų137.467%0.66879%0.79SS**  trans66.1109.8156.6-54-39.9000118
245I40Very low35.7Very low239 Ų239136 Ų136100%1.22679%0.791SS**  -151.70102.8-89.2150.5000108.6

Retrieved 245 of 245 residues in 364 ms (Link to these results)

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