A0A060WGS6_ONCMY Loading...

Sperm microtubule inner protein 1

AlphaFold DB , UniProt , Accession A0A060WGS6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC118938891, Length 170 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
1M61.6Low89.1Confident234 Ų234132.3 Ų132.3100%1.15362%0.624SS**  0104.20-77.9-68.5-91.700106.4S3M1-S3 PolarHBondContact O-N 3.14Å
2D87.6Confident89.7Confident121 Ų121124.6 Ų124.665%0.64760%0.6SS**  trans-75.1124.6-171.6-58.7-33.9000111Q4 K5 Q6D2-Q4 VanDerWaalsContact C-N 3.25Å; D2-Q4 PolarHBondContact O-N 2.9Å; D2-K5 HydrophobicContact CB-CB 4.22Å; D2-K5 WeakPolarHBondContact O-CB 2.93Å; D2-K5 PolarHBondContact O-N 2.93Å; D2-K5 VanDerWaalsContact O-N 3.14Å; D2-Q6 PolarHBondContact O-N 3.12Å
3S89.4Confident90.1Very high76 Ų76121 Ų12153%0.53158%0.584SS.*Hα-helixtrans-57.9-38.8178.350.60000112M1 K5 Q6 E7M1-S3 PolarHBondContact O-N 3.14Å; S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.14Å; S3-Q6 WeakPolarHBondContact O-CB 3.34Å; S3-Q6 PolarHBondContact O-N 3.02Å; S3-Q6 VanDerWaalsContact O-N 3.11Å; S3-E7 WeakPolarHBondContact O-CG 3.4Å; S3-E7 PolarHBondContact O-N 3.31Å
4Q89Confident90.6Very high153 Ų153119.7 Ų119.772%0.71558%0.581SS**Hα-helixtrans-59.5-41.4176.6-67.2-176.9-26.900112.4D2 Q6 E7 F8D2-Q4 VanDerWaalsContact C-N 3.25Å; D2-Q4 PolarHBondContact O-N 2.9Å; Q4-Q6 VanDerWaalsContact C-N 3.34Å; Q4-E7 PolarHBondContact O-N 3.15Å; Q4-F8 WeakPolarHBondContact O-CB 3.47Å; Q4-F8 PolarHBondContact O-N 3.46Å
5K89.8Confident91.1Very high129 Ų129120.1 Ų120.156%0.56158%0.579SS**Hα-helixtrans-64.5-43.1176.3-172.6172.5-178.7174.60110D2 S3 E7 F8 W9D2-K5 HydrophobicContact CB-CB 4.22Å; D2-K5 WeakPolarHBondContact O-CB 2.93Å; D2-K5 PolarHBondContact O-N 2.93Å; D2-K5 VanDerWaalsContact O-N 3.14Å; S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.14Å; K5-E7 VanDerWaalsContact C-N 3.35Å; K5-E7 PolarHBondContact O-N 3.1Å; K5-F8 WeakPolarHBondContact O-CB 3.49Å; K5-F8 PolarHBondContact O-N 3.34Å; K5-W9 PolarHBondContact O-N 3.18Å; K5-W9 VanDerWaalsContact O-N 3.08Å
6Q88.5Confident91.4Very high117 Ų117118.4 Ų118.455%0.54757%0.57SS.*Hα-helixtrans-62.4-39.8177.4-172.8-178.7-9.600112.6D2 S3 Q4 W9 K10D2-Q6 PolarHBondContact O-N 3.12Å; S3-Q6 WeakPolarHBondContact O-CB 3.34Å; S3-Q6 PolarHBondContact O-N 3.02Å; S3-Q6 VanDerWaalsContact O-N 3.11Å; Q4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-W9 PolarHBondContact O-N 3.23Å; Q6-K10 WeakPolarHBondContact O-CG 3.39Å; Q6-K10 PolarHBondContact O-N 3.15Å; Q6-K10 VanDerWaalsContact O-N 3.09Å
7E95.4Very high91.5Very high117 Ų117118.7 Ų118.755%0.54757%0.568SS.*Hα-helixtrans-64.6-44.2175-73.3173.8177.500111.7S3 Q4 K5 W9 K10 E11S3-E7 WeakPolarHBondContact O-CG 3.4Å; S3-E7 PolarHBondContact O-N 3.31Å; Q4-E7 PolarHBondContact O-N 3.15Å; K5-E7 VanDerWaalsContact C-N 3.35Å; K5-E7 PolarHBondContact O-N 3.1Å; E7-W9 VanDerWaalsContact C-N 3.34Å; E7-W9 PolarHBondContact O-N 3.44Å; E7-K10 WeakPolarHBondContact O-CB 3.06Å; E7-K10 PolarHBondContact O-N 3.03Å; E7-K10 VanDerWaalsContact O-N 3.14Å; E7-E11 PolarHBondContact O-N 2.99Å
8F95.4Very high91.7Very high137 Ų137117.4 Ų117.460%0.60156%0.564SS**Hα-helixtrans-56.7-45.4175179.4-96.7000112.4Q4 K5 K10 E11 A12Q4-F8 WeakPolarHBondContact O-CB 3.47Å; Q4-F8 PolarHBondContact O-N 3.46Å; K5-F8 WeakPolarHBondContact O-CB 3.49Å; K5-F8 PolarHBondContact O-N 3.34Å; F8-K10 PolarHBondContact O-N 3.04Å; F8-E11 PolarHBondContact O-N 3.11Å; F8-A12 WeakPolarHBondContact O-CB 3.33Å; F8-A12 PolarHBondContact O-N 2.87Å
9W90.9Very high91.8Very high151 Ų151116.4 Ų116.457%0.57257%0.565SS**Hα-helixtrans-63.6-41176.4-71.7109.4000112.4K5 Q6 E7 A12 I13K5-W9 PolarHBondContact O-N 3.18Å; K5-W9 VanDerWaalsContact O-N 3.08Å; Q6-W9 PolarHBondContact O-N 3.23Å; E7-W9 VanDerWaalsContact C-N 3.34Å; E7-W9 PolarHBondContact O-N 3.44Å; W9-A12 PolarHBondContact O-N 2.83Å; W9-I13 WeakPolarHBondContact O-CB 3.14Å; W9-I13 WeakPolarHBondContact O-CD1 3.39Å; W9-I13 VanDerWaalsContact O-CG1 3.23Å; W9-I13 WeakPolarHBondContact O-CG1 3.49Å; W9-I13 PolarHBondContact O-N 3.32Å
10K96.1Very high91.5Very high115 Ų115117.1 Ų117.150%0.556%0.561SS.*Hα-helixtrans-60.9-46.3176.2-73.7172.4-179.3174.10111Q6 E7 F8 I13 L14Q6-K10 WeakPolarHBondContact O-CG 3.39Å; Q6-K10 PolarHBondContact O-N 3.15Å; Q6-K10 VanDerWaalsContact O-N 3.09Å; E7-K10 WeakPolarHBondContact O-CB 3.06Å; E7-K10 PolarHBondContact O-N 3.03Å; E7-K10 VanDerWaalsContact O-N 3.14Å; F8-K10 PolarHBondContact O-N 3.04Å; K10-I13 PolarHBondContact O-N 3.01Å; K10-L14 WeakPolarHBondContact O-CG 3.31Å; K10-L14 PolarHBondContact O-N 3.03Å
11E96.8Very high91.5Very high105 Ų105117 Ų11749%0.49156%0.564SS.*Hα-helixtrans-62.7-44.3177.2-74.5-166.7-173.100112.7E7 F8 I13 L14 K15E7-E11 PolarHBondContact O-N 2.99Å; F8-E11 PolarHBondContact O-N 3.11Å; E11-I13 VanDerWaalsContact C-N 3.32Å; E11-I13 PolarHBondContact O-N 3Å; E11-L14 PolarHBondContact O-N 3.17Å; E11-K15 WeakPolarHBondContact O-CB 3.22Å; E11-K15 WeakPolarHBondContact O-CG 3.36Å; E11-K15 PolarHBondContact O-N 2.82Å; E11-K15 IonicContact OE2-NZ 3.23Å; E11-K15 PolarHBondContact OE2-NZ 3.08Å
12A95.9Very high92.7Very high40 Ų40110 Ų11033%0.33153%0.53SS..Hα-helixtrans-58.7-45.8178.300000111.2F8 W9 L14 K15 E16F8-A12 WeakPolarHBondContact O-CB 3.33Å; F8-A12 PolarHBondContact O-N 2.87Å; W9-A12 PolarHBondContact O-N 2.83Å; A12-L14 PolarHBondContact O-N 3.17Å; A12-K15 PolarHBondContact O-N 3.46Å; A12-E16 WeakPolarHBondContact O-CB 3.35Å; A12-E16 PolarHBondContact O-N 3.5Å
13I95.6Very high92.7Very high78 Ų78111.5 Ų111.540%0.453%0.527SS..Hα-helixtrans-63.4-42.1177.4-68.5165.5000111.3W9 K10 E11 E16 K17W9-I13 WeakPolarHBondContact O-CB 3.14Å; W9-I13 WeakPolarHBondContact O-CD1 3.39Å; W9-I13 VanDerWaalsContact O-CG1 3.23Å; W9-I13 WeakPolarHBondContact O-CG1 3.49Å; W9-I13 PolarHBondContact O-N 3.32Å; K10-I13 PolarHBondContact O-N 3.01Å; E11-I13 VanDerWaalsContact C-N 3.32Å; E11-I13 PolarHBondContact O-N 3Å; I13-E16 PolarHBondContact O-N 3.22Å; I13-K17 HydrophobicContact CG2-CD 4.19Å; I13-K17 VanDerWaalsContact O-CG 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.25Å; I13-K17 PolarHBondContact O-N 3.35Å
14L96.9Very high92.5Very high103 Ų103112.4 Ų112.454%0.53952%0.522SS..Hα-helixtrans-64.9-44178.6-74.3173.1000111.7K10 E11 A12 K17 I18K10-L14 WeakPolarHBondContact O-CG 3.31Å; K10-L14 PolarHBondContact O-N 3.03Å; E11-L14 PolarHBondContact O-N 3.17Å; A12-L14 PolarHBondContact O-N 3.17Å; L14-K17 PolarHBondContact O-N 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.43Å
15K97.2Very high92.1Very high126 Ų126113 Ų11355%0.54852%0.517SS..Hα-helixtrans-60.8-45.8176.7-73.6169-177160.70111E11 A12 K17 I18 V19E11-K15 WeakPolarHBondContact O-CB 3.22Å; E11-K15 WeakPolarHBondContact O-CG 3.36Å; E11-K15 PolarHBondContact O-N 2.82Å; E11-K15 IonicContact OE2-NZ 3.23Å; E11-K15 PolarHBondContact OE2-NZ 3.08Å; A12-K15 PolarHBondContact O-N 3.46Å; K15-K17 PolarHBondContact O-N 3.08Å; K15-I18 PolarHBondContact O-N 2.92Å; K15-V19 VanDerWaalsContact O-CG2 3.31Å; K15-V19 WeakPolarHBondContact O-CG2 3.34Å; K15-V19 PolarHBondContact O-N 2.89Å
16E95.8Very high91.6Very high93 Ų93111 Ų11144%0.43551%0.513SS..Hα-helixtrans-60.3-44.5177.1-170.3-172.8175.300112.1A12 I13 I18 V19 R20A12-E16 WeakPolarHBondContact O-CB 3.35Å; A12-E16 PolarHBondContact O-N 3.5Å; I13-E16 PolarHBondContact O-N 3.22Å; E16-I18 PolarHBondContact O-N 3.11Å; E16-V19 PolarHBondContact O-N 3.34Å; E16-R20 WeakPolarHBondContact O-CB 3.36Å; E16-R20 WeakPolarHBondContact O-CG 3.35Å; E16-R20 PolarHBondContact O-N 2.88Å; E16-R20 IonicContact OE1-CZ 3.01Å; E16-R20 IonicContact OE1-NE 3.38Å; E16-R20 PolarHBondContact OE1-NE 2.73Å; E16-R20 IonicContact OE1-NH1 3.76Å; E16-R20 IonicContact OE1-NH2 2.6Å; E16-R20 PolarHBondContact OE1-NH2 3.08Å
17K93.3Very high91Very high123 Ų123108 Ų10854%0.53550%0.501SS..Hα-helixtrans-59.6-45176.7-76.5176.2179.1-179.60112.1I13 L14 K15 R20 L21I13-K17 HydrophobicContact CG2-CD 4.19Å; I13-K17 VanDerWaalsContact O-CG 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.25Å; I13-K17 PolarHBondContact O-N 3.35Å; L14-K17 PolarHBondContact O-N 3.27Å; K15-K17 PolarHBondContact O-N 3.08Å; K17-R20 PolarHBondContact O-N 2.95Å; K17-L21 WeakPolarHBondContact O-CG 3.25Å; K17-L21 PolarHBondContact O-N 3.01Å
18I95.2Very high89.5Confident96 Ų96111 Ų11149%0.49251%0.507SS..Hα-helixtrans-63.9-46.1178.9-68.2165.1000110.7L14 K15 E16 R20 L21 N22L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.43Å; K15-I18 PolarHBondContact O-N 2.92Å; E16-I18 PolarHBondContact O-N 3.11Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 3.06Å; I18-L21 PolarHBondContact O-N 3.35Å; I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.32Å; I18-N22 PolarHBondContact O-N 3.41Å
19V93.1Very high88Confident97 Ų97110 Ų11059%0.58851%0.507SS*.Hα-helixtrans-60.7-43.1178.4171.70000111.1K15 E16 N22 W23K15-V19 VanDerWaalsContact O-CG2 3.31Å; K15-V19 WeakPolarHBondContact O-CG2 3.34Å; K15-V19 PolarHBondContact O-N 2.89Å; E16-V19 PolarHBondContact O-N 3.34Å; V19-N22 PolarHBondContact O-N 3.09Å; V19-W23 WeakPolarHBondContact O-CB 3.09Å; V19-W23 PolarHBondContact O-N 2.88Å
20R87.6Confident86.3Confident130 Ų130109 Ų10949%0.49151%0.506SS..Hα-helixtrans-61.5-44.5175.9-75.7180177.6178.20.8112.4E16 K17 I18 W23 F24E16-R20 WeakPolarHBondContact O-CB 3.36Å; E16-R20 WeakPolarHBondContact O-CG 3.35Å; E16-R20 PolarHBondContact O-N 2.88Å; E16-R20 IonicContact OE1-CZ 3.01Å; E16-R20 IonicContact OE1-NE 3.38Å; E16-R20 PolarHBondContact OE1-NE 2.73Å; E16-R20 IonicContact OE1-NH1 3.76Å; E16-R20 IonicContact OE1-NH2 2.6Å; E16-R20 PolarHBondContact OE1-NH2 3.08Å; K17-R20 PolarHBondContact O-N 2.95Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 3.06Å; R20-W23 PolarHBondContact O-N 3.24Å; R20-F24 VanDerWaalsContact O-CB 3.29Å; R20-F24 WeakPolarHBondContact O-CB 3.36Å; R20-F24 PolarHBondContact O-N 3.16Å
21L89.7Confident84.2Confident117 Ų117108.3 Ų108.361%0.61351%0.514SS*.Hα-helixtrans-63.4-43.5177.5-74.8173.1000112K17 I18 F24 R25K17-L21 WeakPolarHBondContact O-CG 3.25Å; K17-L21 PolarHBondContact O-N 3.01Å; I18-L21 PolarHBondContact O-N 3.35Å; L21-F24 PolarHBondContact O-N 3.41Å; L21-R25 WeakPolarHBondContact O-CB 3.28Å; L21-R25 PolarHBondContact O-N 3.24Å
22N87.9Confident82.4Confident85 Ų85111 Ų11146%0.45552%0.524SS..Hα-helixtrans-63.3-47.3177.2-71.5-17.1000111.2I18 V19 F24 R25 D26I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.32Å; I18-N22 PolarHBondContact O-N 3.41Å; V19-N22 PolarHBondContact O-N 3.09Å; N22-F24 VanDerWaalsContact C-N 3.32Å; N22-F24 PolarHBondContact O-N 2.96Å; N22-R25 PolarHBondContact O-N 3.17Å; N22-D26 PolarHBondContact O-N 3.11Å
23W88.4Confident80.4Confident153 Ų153116.2 Ų116.258%0.5855%0.545SS*.Hα-helixtrans-59.5-43.6176.5-176.293.9000112V19 R20 D26 N27V19-W23 WeakPolarHBondContact O-CB 3.09Å; V19-W23 PolarHBondContact O-N 2.88Å; R20-W23 PolarHBondContact O-N 3.24Å; W23-D26 PolarHBondContact O-N 3.29Å; W23-N27 HydrophobicContact CD2-CB 4.34Å; W23-N27 HydrophobicContact CE3-CB 4.43Å; W23-N27 HydrophobicContact CH2-CB 4.13Å; W23-N27 HydrophobicContact CZ2-CB 4.04Å; W23-N27 HydrophobicContact CZ3-CB 4.32Å; W23-N27 PolarHBondContact NE1-ND2 3.27Å; W23-N27 WeakPolarHBondContact O-CB 3.13Å; W23-N27 PolarHBondContact O-N 2.95Å; W23-N27 PolarHBondContact O-ND2 2.8Å
24F84Confident78.5Confident95 Ų95118.6 Ų118.642%0.41756%0.563SS.*Hα-helixtrans-63.6-44.7177.9-178.8-95.6000111.7R20 L21 N22 D26 N27 W28R20-F24 VanDerWaalsContact O-CB 3.29Å; R20-F24 WeakPolarHBondContact O-CB 3.36Å; R20-F24 PolarHBondContact O-N 3.16Å; L21-F24 PolarHBondContact O-N 3.41Å; N22-F24 VanDerWaalsContact C-N 3.32Å; N22-F24 PolarHBondContact O-N 2.96Å; F24-D26 VanDerWaalsContact C-N 3.28Å; F24-D26 PolarHBondContact O-N 3.42Å; F24-N27 PolarHBondContact O-N 3.03Å; F24-W28 HydrophobicContact CD1-CB 4.39Å; F24-W28 HydrophobicContact CD2-CB 3.74Å; F24-W28 HydrophobicContact CD2-CD2 4.29Å; F24-W28 AromaticContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CE1-CB 4.27Å; F24-W28 HydrophobicContact CE1-CG 4.46Å; F24-W28 HydrophobicContact CE2-CB 3.6Å; F24-W28 AromaticContact CE2-CD1 3.73Å; F24-W28 AromaticContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CE3 4.2Å; F24-W28 AromaticContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CG-CB 4.14Å; F24-W28 HydrophobicContact CZ-CB 3.88Å; F24-W28 AromaticContact CZ-CD1 3.58Å; F24-W28 HydrophobicContact CZ-CD2 4.3Å; F24-W28 AromaticContact CZ-CG 3.64Å; F24-W28 HydrophobicContact CZ-CG 3.64Å; F24-W28 WeakPolarHBondContact O-CA 3.47Å; F24-W28 WeakPolarHBondContact O-CB 3.45Å; F24-W28 PolarHBondContact O-N 3.45Å
25R80.3Confident76.4Confident166 Ų166122.4 Ų122.463%0.62658%0.575SS**Hα-helixtrans-56.4-43.8174.9-179.2-179.3-178.6176.60.2111.6L21 N22 I29L21-R25 WeakPolarHBondContact O-CB 3.28Å; L21-R25 PolarHBondContact O-N 3.24Å; N22-R25 PolarHBondContact O-N 3.17Å; R25-I29 HydrophobicContact CB-CD1 4.46Å; R25-I29 HydrophobicContact CG-CD1 4.21Å; R25-I29 WeakPolarHBondContact O-CB 3.38Å
26D79.8Confident74.2Confident87 Ų87126 Ų12647%0.46559%0.591SS.*Hα-helixtrans-78.8-32.4-175.8-74.8-33.5000114.1N22 W23 F24 K30N22-D26 PolarHBondContact O-N 3.11Å; W23-D26 PolarHBondContact O-N 3.29Å; F24-D26 VanDerWaalsContact C-N 3.28Å; F24-D26 PolarHBondContact O-N 3.42Å; D26-K30 IonicContact OD1-NZ 3.67Å
27N75.1Confident71.9Confident54 Ų54128 Ų12829%0.28961%0.609SS.*Hα-helixtrans-100.7-24.8-174.9-70.7-84.6000114.5W23 F24W23-N27 HydrophobicContact CD2-CB 4.34Å; W23-N27 HydrophobicContact CE3-CB 4.43Å; W23-N27 HydrophobicContact CH2-CB 4.13Å; W23-N27 HydrophobicContact CZ2-CB 4.04Å; W23-N27 HydrophobicContact CZ3-CB 4.32Å; W23-N27 PolarHBondContact NE1-ND2 3.27Å; W23-N27 WeakPolarHBondContact O-CB 3.13Å; W23-N27 PolarHBondContact O-N 2.95Å; W23-N27 PolarHBondContact O-ND2 2.8Å; F24-N27 PolarHBondContact O-N 3.03Å
28W65.1Low70Confident180 Ų180125.3 Ų125.368%0.68262%0.616SS**Hα-helixtrans-104.6-36.5-173-154.5-82.1000113.4F24F24-W28 HydrophobicContact CD1-CB 4.39Å; F24-W28 HydrophobicContact CD2-CB 3.74Å; F24-W28 HydrophobicContact CD2-CD2 4.29Å; F24-W28 AromaticContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CE1-CB 4.27Å; F24-W28 HydrophobicContact CE1-CG 4.46Å; F24-W28 HydrophobicContact CE2-CB 3.6Å; F24-W28 AromaticContact CE2-CD1 3.73Å; F24-W28 AromaticContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CE3 4.2Å; F24-W28 AromaticContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CG-CB 4.14Å; F24-W28 HydrophobicContact CZ-CB 3.88Å; F24-W28 AromaticContact CZ-CD1 3.58Å; F24-W28 HydrophobicContact CZ-CD2 4.3Å; F24-W28 AromaticContact CZ-CG 3.64Å; F24-W28 HydrophobicContact CZ-CG 3.64Å; F24-W28 WeakPolarHBondContact O-CA 3.47Å; F24-W28 WeakPolarHBondContact O-CB 3.45Å; F24-W28 PolarHBondContact O-N 3.45Å
29I63Low68Low116 Ų116129.4 Ų129.460%0.59563%0.634SS**SBendtrans-79.2-27.4-179.6-59.3179.2000111.5R25 P31R25-I29 HydrophobicContact CB-CD1 4.46Å; R25-I29 HydrophobicContact CG-CD1 4.21Å; R25-I29 WeakPolarHBondContact O-CB 3.38Å; I29-P31 WeakPolarHBondContact O-CD 3.21Å
30K56.1Low66.2Low129 Ų129134.6 Ų134.656%0.56165%0.648SS**SBendtrans-90.9103.4171.7-60.2178.7-172.2165.10106.9D26 K32D26-K30 IonicContact OD1-NZ 3.67Å; K30-K32 PolarHBondContact O-N 3.27Å
31P52.2Low64.7Low101 Ų101139.3 Ų139.366%0.65667%0.666SS**  trans-54.4118.4161.124.4-30.9000105I29 L33I29-P31 WeakPolarHBondContact O-CD 3.21Å; P31-L33 PolarHBondContact O-N 3.39Å
32K58.2Low63.3Low162 Ų162137.9 Ų137.970%0.70468%0.68SS**  trans-61.788.5163.4-69.8179.1-174.9171.80104.1K30 V34K30-K32 PolarHBondContact O-N 3.27Å; K32-V34 PolarHBondContact O-N 3.06Å
33L54.9Low61.9Low150 Ų150142 Ų14279%0.78570%0.699SS**  trans-54.899.7158.3-72.7171.1000102.4P31 K35P31-L33 PolarHBondContact O-N 3.39Å; L33-K35 PolarHBondContact O-N 2.76Å
34V54.8Low60.8Low128 Ų128144.7 Ų144.778%0.77671%0.714SS**  trans-51.6104.9168.3175.60000102.8K32 K36K32-V34 PolarHBondContact O-N 3.06Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.23Å
35K51.8Low59.8Low182 Ų182147.4 Ų147.479%0.79173%0.732SS**  trans-54.8112.6169-73.1-176.4178.3-179.30102.6L33 V37L33-K35 PolarHBondContact O-N 2.76Å; K35-V37 PolarHBondContact O-N 3.37Å
36K51.1Low59Low202 Ų202144.9 Ų144.988%0.87874%0.737SS**  trans-52.4101.6166.5-86.3-174.5173.4-178.10104.3V34 G38V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.23Å; K36-G38 VanDerWaalsContact C-N 3.32Å; K36-G38 PolarHBondContact O-N 3.43Å
37V49Very low58.4Low135 Ų135149.1 Ų149.182%0.81875%0.754SS**  trans-61.7108.8169.3172.50000102.7K35 E39K35-V37 PolarHBondContact O-N 3.37Å; V37-E39 PolarHBondContact O-N 3.5Å
38G52.1Low57.8Low66 Ų66153.5 Ų153.568%0.6878%0.776SS**  trans-52.7117.2178.800000108.3K36 K40K36-G38 VanDerWaalsContact C-N 3.32Å; K36-G38 PolarHBondContact O-N 3.43Å; G38-K40 PolarHBondContact O-N 3.22Å
39E54.4Low57.8Low183 Ų183151.5 Ų151.586%0.85578%0.779SS**  trans-54.5122.8166-76.1174.112600108.9V37V37-E39 PolarHBondContact O-N 3.5Å
40K54.9Low57.9Low206 Ų206153.8 Ų153.890%0.89679%0.787SS**  trans-142.176.7143.7-70.9-157.8-179.4-173.90110G38G38-K40 PolarHBondContact O-N 3.22Å
41R55Low57.9Low228 Ų228153.6 Ų153.686%0.8680%0.799SS**SBendtrans-137.3111.5146.4-68.2-168.6-177.4166.61.5107.2M43R41-M43 PolarHBondContact O-N 3.36Å
42G60.3Low58.1Low88 Ų88158 Ų15891%0.90781%0.811SS**  trans-67.686.1-169.600000113.1
43M58.7Low58Low172 Ų172161.8 Ų161.885%0.84782%0.821SS**  trans-97.9103.9158.9-64.8-170.1-168.400107.4R41 L45R41-M43 PolarHBondContact O-N 3.36Å; M43-L45 PolarHBondContact O-N 3.46Å
44K65.3Low58.2Low208 Ų208163.5 Ų163.590%0.90483%0.825SS**  trans-78.1105.1167-67.8-167.8179-173.80107.3
45L63.7Low58.5Low153 Ų153161.9 Ų161.980%0.80183%0.825SS**  trans-64.4141.3169.5-74.6145.7000109.1M43 Q47M43-L45 PolarHBondContact O-N 3.46Å; L45-Q47 PolarHBondContact O-N 3.09Å
46P63.8Low58.9Low113 Ų113162.2 Ų162.273%0.73483%0.826SS**  trans-62.3135.4176.625.2-32.1000110.3I48P46-I48 PolarHBondContact O-N 3.45Å
47Q66Low58.8Low175 Ų175158.3 Ų158.382%0.81882%0.822SS**  trans-77.8108.6-176.5-158.2172.3-7.300109.1L45 N49L45-Q47 PolarHBondContact O-N 3.09Å; Q47-N49 PolarHBondContact O-N 3.06Å
48I64.3Low59.2Low146 Ų146159.8 Ų159.875%0.74982%0.824SS**  trans-77.9112.6170.3-63.1170.8000106.7P46 E50P46-I48 PolarHBondContact O-N 3.45Å; I48-E50 HydrophobicContact CG2-CG 4.37Å; I48-E50 PolarHBondContact O-N 3.25Å; I48-E50 VanDerWaalsContact O-N 3.07Å
49N65.4Low59Low139 Ų139165.7 Ų165.774%0.74383%0.831SS**  trans-75.593.8172.9-70-17.3000108.6Q47Q47-N49 PolarHBondContact O-N 3.06Å
50E64.4Low58.4Low163 Ų163163.1 Ų163.176%0.76283%0.828SS**  trans-70.2132.7166.3-65.9-174.8174.300109I48 Q52I48-E50 HydrophobicContact CG2-CG 4.37Å; I48-E50 PolarHBondContact O-N 3.25Å; I48-E50 VanDerWaalsContact O-N 3.07Å; E50-Q52 PolarHBondContact O-N 2.88Å
51P55.9Low58.2Low125 Ų125161 Ų16181%0.81283%0.826SS**  trans-60.6128.7174.224.3-31.2000109R53P51-R53 PolarHBondContact O-N 2.85Å
52Q55.6Low57.5Low195 Ų195155.3 Ų155.391%0.91182%0.816SS**  trans-56102.4179.5-76.7-175.5-33.400109.8E50 E54E50-Q52 PolarHBondContact O-N 2.88Å; Q52-E54 PolarHBondContact O-N 2.7Å
53R57.6Low56.9Low241 Ų241161.4 Ų161.491%0.90981%0.812SS**  trans-73.9109.6165.6-143.5179.1-160.71785.6106P51 A55P51-R53 PolarHBondContact O-N 2.85Å; R53-A55 PolarHBondContact O-N 2.67Å
54E58.4Low55.9Low185 Ų185159.7 Ų159.786%0.86481%0.806SS**  trans-50.7110.9175.4-65.9-178.3178.900109.5Q52 K56Q52-E54 PolarHBondContact O-N 2.7Å; E54-K56 PolarHBondContact O-N 2.82Å
55A60.4Low54.9Low95 Ų95153.4 Ų153.479%0.78580%0.8SS**  trans-69.6105.6177.900000108R53R53-A55 PolarHBondContact O-N 2.67Å
56K59.8Low53.8Low188 Ų188149.6 Ų149.682%0.81779%0.791SS**PPolyproline II helixtrans-56129.5164.7-67.2-176.8-179.8-176.80107.5E54 L58E54-K56 PolarHBondContact O-N 2.82Å; K56-L58 PolarHBondContact O-N 3.03Å; K56-L58 VanDerWaalsContact O-N 3.16Å
57P50.5Low52.7Low121 Ų121152.8 Ų152.879%0.78680%0.796SS**PPolyproline II helixtrans-59.1124.6-177.321.6-30.9000109.5K59P57-K59 PolarHBondContact O-N 2.69Å; P57-K59 VanDerWaalsContact O-N 3.15Å
58L56Low51.6Low165 Ų165150 Ų15086%0.86479%0.791SS**PPolyproline II helixtrans-59.5119.1169.9-84.697.3000107.6K56 T60K56-L58 PolarHBondContact O-N 3.03Å; K56-L58 VanDerWaalsContact O-N 3.16Å; L58-T60 PolarHBondContact O-N 3Å
59K48.8Very low50.7Low190 Ų190151.8 Ų151.883%0.82679%0.793SS**  trans-56.5112.3166-66179.1-179.7-1780107.1P57 L61P57-K59 PolarHBondContact O-N 2.69Å; P57-K59 VanDerWaalsContact O-N 3.15Å; K59-L61 PolarHBondContact O-N 3.27Å
60T41.4Very low49.8Very low129 Ų129150.1 Ų150.179%0.79179%0.792SS**  trans-57.2107.9164.233.30000107.3L58 T62L58-T60 PolarHBondContact O-N 3Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 3.46Å
61L50.8Low49.3Very low162 Ų162153.3 Ų153.385%0.84880%0.797SS**  trans-68.698.6165.1-70.2167.9000106.3K59 R63K59-L61 PolarHBondContact O-N 3.27Å; L61-R63 PolarHBondContact O-N 3.36Å; L61-R63 VanDerWaalsContact O-N 3.11Å
62T40.8Very low49Very low108 Ų108154.2 Ų154.266%0.66380%0.796SS**  trans-50.5115.1157.329.10000107T60 D64T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 3.46Å; T62-D64 PolarHBondContact O-N 3.25Å
63R46.4Very low49Very low217 Ų217154 Ų15482%0.81980%0.795SS**  trans-77.876.3178.4-164179.8-165.7164.13107.4L61 G65L61-R63 PolarHBondContact O-N 3.36Å; L61-R63 VanDerWaalsContact O-N 3.11Å; R63-G65 PolarHBondContact O-N 3.32Å; R63-G65 VanDerWaalsContact O-N 3.14Å
64D37.8Very low48.8Very low136 Ų136151.6 Ų151.673%0.72779%0.791SS**  trans-65.2112.1169.3-65.6-32.7000108.2T62 A66T62-D64 PolarHBondContact O-N 3.25Å; D64-A66 PolarHBondContact O-N 2.84Å
65G45.6Very low48.6Very low75 Ų75148.4 Ų148.477%0.77378%0.784SS**  trans59.124.4139.800000119.5R63 Q67R63-G65 PolarHBondContact O-N 3.32Å; R63-G65 VanDerWaalsContact O-N 3.14Å; G65-Q67 PolarHBondContact O-N 3.32Å; G65-Q67 VanDerWaalsContact O-N 3.14Å
66A39.1Very low48.4Very low73 Ų73150.9 Ų150.960%0.60378%0.783SS**  trans-81.591.5164.700000108.5D64 V68D64-A66 PolarHBondContact O-N 2.84Å; A66-V68 VanDerWaalsContact C-N 3.35Å; A66-V68 PolarHBondContact O-N 3.14Å
67Q41.6Very low48.3Very low181 Ų181148 Ų14885%0.84678%0.775SS**  trans-52.1103.3167.7-70.1-157-8.800108.6G65 K69G65-Q67 PolarHBondContact O-N 3.32Å; G65-Q67 VanDerWaalsContact O-N 3.14Å; Q67-K69 PolarHBondContact O-N 3.07Å
68V42.5Very low49.2Very low117 Ų117146.3 Ų146.371%0.70976%0.759SS**  trans-63.596.7163.2178.80000103.8A66 S70A66-V68 VanDerWaalsContact C-N 3.35Å; A66-V68 PolarHBondContact O-N 3.14Å; V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 3.23Å
69K46.7Very low50.3Low182 Ų182140.9 Ų140.979%0.79173%0.733SS**  trans-53.8105.4162.1-73.4-176.7178.4-178.90104.6Q67 R71Q67-K69 PolarHBondContact O-N 3.07Å; K69-R71 PolarHBondContact O-N 3.4Å
70S45.5Very low52.1Low105 Ų105134.9 Ų134.973%0.73471%0.709SS**  trans-57.687.6168.449.50000106V68 D72V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 3.23Å; S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.08Å
71R54.4Low54.3Low229 Ų229134.2 Ų134.286%0.86469%0.692SS**  trans-61.3113164.7-81.4-179171.4164.8-1.2103.8K69 E73K69-R71 PolarHBondContact O-N 3.4Å; R71-E73 PolarHBondContact O-N 2.77Å
72D50.3Low56.1Low145 Ų145132.1 Ų132.178%0.77569%0.688SS**  trans-36.2117.7177.2-62.4-53.7000109.7S70 K74S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.08Å; D72-K74 PolarHBondContact O-N 3.16Å
73E54.2Low58.3Low191 Ų191129.5 Ų129.589%0.89367%0.672SS**SBendtrans-70.735.5-177.9-63.7-179163.100112R71 V75R71-E73 PolarHBondContact O-N 2.77Å; E73-V75 PolarHBondContact O-N 3.23Å
74K53.6Low60.4Low189 Ų189121.6 Ų121.682%0.82265%0.65SS**  trans-71.990.5145.8-87.3-178.7179.4-177.30105D72 L76D72-K74 PolarHBondContact O-N 3.16Å; K74-L76 PolarHBondContact O-N 3.29Å
75V55.2Low62.9Low119 Ų119117.3 Ų117.372%0.72164%0.637SS**  trans-53.190.2156.2-178.50000104.9E73 I77E73-V75 PolarHBondContact O-N 3.23Å; V75-I77 HydrophobicContact CG1-CG1 3.94Å; V75-I77 PolarHBondContact O-N 3.45Å
76L54.8Low65Low146 Ų146121 Ų12176%0.76463%0.634SS**  trans-64.597.3166.7-165.683000101.7K74 D78K74-L76 PolarHBondContact O-N 3.29Å; L76-D78 HydrophobicContact CD2-CB 4.43Å; L76-D78 PolarHBondContact O-N 2.68Å
77I57.6Low67.5Low128 Ų128118.6 Ų118.666%0.65661%0.612SS**  trans-67.777.8170.5-56.6170.4000103.9V75V75-I77 HydrophobicContact CG1-CG1 3.94Å; V75-I77 PolarHBondContact O-N 3.45Å
78D70.4Confident69.9Low85 Ų85116 Ų11646%0.45559%0.594SS.*  trans-72.1139.8173.1-168.96.2000106.8L76 M80L76-D78 HydrophobicContact CD2-CB 4.43Å; L76-D78 PolarHBondContact O-N 2.68Å; D78-M80 PolarHBondContact O-N 2.83Å
79V79.3Confident72.3Confident52 Ų52115.9 Ų115.932%0.31559%0.59SS.*SBendtrans-63.8-26.6-178.9-172.60000109.9Y118 L119 Y120 I122V79-Y118 HydrophobicContact CG1-CD1 4.41Å; V79-L119 PolarHBondContact O-N 3.24Å; V79-Y120 HydrophobicContact CG1-CE2 4.02Å; V79-I122 HydrophobicContact CG1-CD1 3.47Å; V79-I122 VanDerWaalsContact CG1-CD1 3.47Å; V79-I122 HydrophobicContact CG1-CG1 3.84Å
80M86.9Confident74.5Confident63 Ų63109.2 Ų109.231%0.3156%0.564SS.*BIsolated β-bridgetrans-102154.9-178.3-62.7-85.5-172.500112.6D78 K117 Y118D78-M80 PolarHBondContact O-N 2.83Å; M80-K117 WeakPolarHBondContact CA-O 3.33Å; M80-Y118 HydrophobicContact CE-CD1 3.84Å; M80-Y118 HydrophobicContact CE-CE1 2.97Å; M80-Y118 WeakPolarHBondContact CE-OH 3.26Å; M80-Y118 HydrophobicContact CG-CD1 4.26Å; M80-Y118 HydrophobicContact CG-CE1 4.24Å; M80-Y118 HydrophobicContact SD-CD1 3.35Å; M80-Y118 WeakPolarHBondContact SD-CD1 3.37Å; M80-Y118 HydrophobicContact SD-CE1 3.09Å; M80-Y118 WeakPolarHBondContact SD-CE1 3.5Å; M80-Y118 HydrophobicContact SD-CE2 4.26Å; M80-Y118 HydrophobicContact SD-CG 4.11Å; M80-Y118 VanDerWaalsContact SD-CZ 3.56Å
81R87.6Confident76.7Confident115 Ų115106 Ų10643%0.43454%0.539SS..PPolyproline II helixtrans-76.2150.6166.2-67.7170.9-175.7-84.64.2110.1V83 E115 V116 K117 Y118R81-V83 PolarHBondContact O-N 2.91Å; R81-E115 PolarHBondContact NE-O 3.03Å; R81-V116 VanDerWaalsContact CD-O 3.25Å; R81-V116 WeakPolarHBondContact CD-O 3.49Å; R81-K117 PolarHBondContact N-O 3.37Å; R81-Y118 PolarHBondContact NE-O 3.3Å; R81-Y118 VanDerWaalsContact NE-O 3.14Å
82P88.4Confident78.4Confident119 Ų119102.8 Ų102.877%0.77353%0.528SS*.PPolyproline II helixtrans-60.4134.8177.425.6-34.3000110.8
83V87.2Confident80.4Confident53 Ų5399.8 Ų99.832%0.32151%0.512SS..PPolyproline II helixtrans-70.1140.9178.5-175.70000110R81 T87 R88R81-V83 PolarHBondContact O-N 2.91Å; V83-T87 VanDerWaalsContact CG1-CB 3.5Å; V83-T87 HydrophobicContact CG1-CG2 3.5Å; V83-R88 HydrophobicContact CB-CG 4.25Å; V83-R88 HydrophobicContact CG1-CG 4.06Å; V83-R88 PolarHBondContact O-NH1 3.04Å
84S88.9Confident82Confident51 Ų5193 Ų9336%0.35749%0.493SS..PPolyproline II helixtrans-65.5153.5174.668.10000111.5E86 T87 R88S84-E86 PolarHBondContact O-N 3.19Å; S84-T87 PolarHBondContact O-N 3.18Å; S84-T87 PolarHBondContact OG-OG1 3.47Å; S84-R88 PolarHBondContact O-N 2.7Å; S84-R88 VanDerWaalsContact O-N 3.09Å
85G90.7Very high83.4Confident45 Ų4591.6 Ų91.646%0.46449%0.487SS..Hα-helixtrans-53.6-51.7179.100000112.1T87 R88 D89G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.14Å; G85-T87 VanDerWaalsContact O-N 3.17Å; G85-R88 CarbonylContact O-C 3.18Å; G85-R88 WeakPolarHBondContact O-CA 3.49Å; G85-R88 VanDerWaalsContact O-CB 3.31Å; G85-R88 WeakPolarHBondContact O-CB 3.26Å; G85-R88 PolarHBondContact O-N 3Å; G85-D89 VanDerWaalsContact O-CG 3.31Å; G85-D89 PolarHBondContact O-N 2.64Å
86E90.9Very high84.4Confident153 Ų15388.7 Ų88.772%0.71547%0.472SS*.Hα-helixtrans-53.3-41.2177.5-58.9169.1172.900113.2S84 R88 D89 V90S84-E86 PolarHBondContact O-N 3.19Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-D89 PolarHBondContact O-N 2.75Å; E86-V90 WeakPolarHBondContact O-CG2 3.13Å; E86-V90 PolarHBondContact O-N 3.3Å; E86-V90 VanDerWaalsContact O-N 3.08Å
87T90.8Very high85.6Confident22 Ų2289.6 Ų89.614%0.13548%0.477CS..Hα-helixtrans-72.4-30179.7-58.20000111.2V83 S84 G85 L91 Y105 K112V83-T87 VanDerWaalsContact CG1-CB 3.5Å; V83-T87 HydrophobicContact CG1-CG2 3.5Å; S84-T87 PolarHBondContact O-N 3.18Å; S84-T87 PolarHBondContact OG-OG1 3.47Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.14Å; G85-T87 VanDerWaalsContact O-N 3.17Å; T87-L91 WeakPolarHBondContact O-CB 3.28Å; T87-L91 PolarHBondContact O-N 3.28Å; T87-L91 VanDerWaalsContact O-N 3.11Å; T87-Y105 HydrophobicContact CG2-CD2 3.56Å; T87-Y105 HydrophobicContact CG2-CE2 3.47Å; T87-Y105 VanDerWaalsContact CG2-CE2 3.47Å; T87-K112 PolarHBondContact OG1-NZ 3Å
88R91.5Very high87Confident126 Ų12690.1 Ų90.148%0.47548%0.477SS..Hα-helixtrans-69.4-40171.1-75.5-171.7170103.6-0.8111.5V83 S84 G85 E86 V90 L91 Y92V83-R88 HydrophobicContact CB-CG 4.25Å; V83-R88 HydrophobicContact CG1-CG 4.06Å; V83-R88 PolarHBondContact O-NH1 3.04Å; S84-R88 PolarHBondContact O-N 2.7Å; S84-R88 VanDerWaalsContact O-N 3.09Å; G85-R88 CarbonylContact O-C 3.18Å; G85-R88 WeakPolarHBondContact O-CA 3.49Å; G85-R88 VanDerWaalsContact O-CB 3.31Å; G85-R88 WeakPolarHBondContact O-CB 3.26Å; G85-R88 PolarHBondContact O-N 3Å; E86-R88 VanDerWaalsContact C-N 3.33Å; R88-V90 VanDerWaalsContact C-N 3.35Å; R88-V90 PolarHBondContact O-N 2.73Å; R88-L91 WeakPolarHBondContact O-CB 3.38Å; R88-L91 PolarHBondContact O-N 2.87Å; R88-L91 VanDerWaalsContact O-N 3.08Å; R88-Y92 VanDerWaalsContact O-CD2 3.22Å; R88-Y92 WeakPolarHBondContact O-CD2 3.37Å; R88-Y92 PolarHBondContact O-N 2.76Å
89D93.1Very high87.5Confident115 Ų11591.7 Ų91.762%0.61548%0.481SS*.Hα-helixtrans-62-46.8178.9-58.9-26.7000110.1G85 E86 L91 Y92 D93G85-D89 VanDerWaalsContact O-CG 3.31Å; G85-D89 PolarHBondContact O-N 2.64Å; E86-D89 PolarHBondContact O-N 2.75Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3.41Å; D89-Y92 PolarHBondContact O-N 3.21Å; D89-D93 PolarHBondContact O-N 3.09Å; D89-D93 VanDerWaalsContact O-N 3.15Å
90V93.1Very high87.9Confident42 Ų4290.4 Ų90.426%0.25547%0.474SS..Hα-helixtrans-61-34.7173.3176.40000112E86 R88 Y92 D93 G101 K104 L108E86-V90 WeakPolarHBondContact O-CG2 3.13Å; E86-V90 PolarHBondContact O-N 3.3Å; E86-V90 VanDerWaalsContact O-N 3.08Å; R88-V90 VanDerWaalsContact C-N 3.35Å; R88-V90 PolarHBondContact O-N 2.73Å; V90-Y92 VanDerWaalsContact C-N 3.26Å; V90-Y92 PolarHBondContact O-N 2.77Å; V90-D93 PolarHBondContact O-N 2.93Å; V90-G101 CarbonylContact O-C 3.59Å; V90-G101 WeakPolarHBondContact O-CA 3.39Å; V90-G101 VanDerWaalsContact O-O 3.14Å; V90-K104 HydrophobicContact CG1-CB 3.98Å; V90-L108 HydrophobicContact CG1-CD1 3.99Å
91L91.3Very high88.1Confident37 Ų3787.5 Ų87.519%0.19446%0.46CS..Hα-helixtrans-64.4-33.1-179.1-178.765.1000112.7T87 R88 D89 R102 Y105T87-L91 WeakPolarHBondContact O-CB 3.28Å; T87-L91 PolarHBondContact O-N 3.28Å; T87-L91 VanDerWaalsContact O-N 3.11Å; R88-L91 WeakPolarHBondContact O-CB 3.38Å; R88-L91 PolarHBondContact O-N 2.87Å; R88-L91 VanDerWaalsContact O-N 3.08Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3.41Å; L91-R102 HydrophobicContact CD1-CG 4.05Å; L91-Y105 HydrophobicContact CB-CD2 4.41Å; L91-Y105 HydrophobicContact CB-CG 4.43Å; L91-Y105 HydrophobicContact CD1-CD1 3.48Å; L91-Y105 VanDerWaalsContact CD1-CD1 3.48Å; L91-Y105 HydrophobicContact CD1-CD2 4.18Å; L91-Y105 HydrophobicContact CD1-CE1 3.95Å; L91-Y105 HydrophobicContact CD1-CG 3.57Å
92Y91.1Very high88.3Confident162 Ų16288.3 Ų88.364%0.63546%0.463SS*.THydrogen-bonded Turntrans-106.913.4-176.3-61.2-68.3000113.5R88 D89 V90 G94R88-Y92 VanDerWaalsContact O-CD2 3.22Å; R88-Y92 WeakPolarHBondContact O-CD2 3.37Å; R88-Y92 PolarHBondContact O-N 2.76Å; D89-Y92 PolarHBondContact O-N 3.21Å; V90-Y92 VanDerWaalsContact C-N 3.26Å; V90-Y92 PolarHBondContact O-N 2.77Å; Y92-G94 PolarHBondContact O-N 2.85Å
93D91.2Very high88.5Confident83 Ų8387.6 Ų87.644%0.44445%0.446SS..SBendtrans-80.6111179.1-179.233.6000112.4D89 V90 T100 G101D89-D93 PolarHBondContact O-N 3.09Å; D89-D93 VanDerWaalsContact O-N 3.15Å; V90-D93 PolarHBondContact O-N 2.93Å; D93-T100 PolarHBondContact O-OG1 3.38Å; D93-G101 WeakPolarHBondContact O-CA 3.39Å; D93-G101 PolarHBondContact O-N 2.99Å
94G89.5Confident88.7Confident48 Ų4889.5 Ų89.550%0.49545%0.45SS..SBendtrans68.2-155.317400000115.5Y92Y92-G94 PolarHBondContact O-N 2.85Å
95F81.3Confident88.9Confident159 Ų15989.1 Ų89.170%0.69744%0.44SS*.  trans-105133.4-176.1-64.8-76.3000112L97 E98 T100F95-L97 PolarHBondContact O-N 3.47Å; F95-E98 PolarHBondContact O-N 2.93Å; F95-E98 VanDerWaalsContact O-N 3.12Å; F95-T100 PolarHBondContact N-OG1 3.4Å; F95-T100 PolarHBondContact O-OG1 2.95Å; F95-T100 VanDerWaalsContact O-OG1 3.1Å
96S76.2Confident88.9Confident58 Ų5891.7 Ų91.741%0.40644%0.443SS..G310 helixtrans-59-22.1-179.1-48.30000114.2E98 E99 R102S96-E98 VanDerWaalsContact C-N 3.33Å; S96-E99 PolarHBondContact O-N 3.32Å; S96-R102 PolarHBondContact OG-NH1 3.13Å
97L80.6Confident89Confident166 Ų16688.4 Ų88.487%0.86943%0.43SS*.G310 helixtrans-70.5-29.2-179.2-173.464.5000112.3F95 E99F95-L97 PolarHBondContact O-N 3.47Å; L97-E99 PolarHBondContact O-N 3.03Å
98E86.6Confident89.1Confident138 Ų13890.9 Ų90.965%0.64544%0.442SS*.G310 helixtrans-88.118.2179.6-62.9179.4171.200112.1F95 S96 T100F95-E98 PolarHBondContact O-N 2.93Å; F95-E98 VanDerWaalsContact O-N 3.12Å; S96-E98 VanDerWaalsContact C-N 3.33Å; E98-T100 HydrophobicContact CB-CG2 4.18Å; E98-T100 WeakPolarHBondContact O-CG2 3.29Å; E98-T100 PolarHBondContact O-N 3.36Å
99E81.9Confident89.1Confident119 Ų11988.1 Ų88.156%0.55643%0.432SS*.THydrogen-bonded Turntrans55.220.4-174.1-55-166.7155.600113.9S96 L97 Y103S96-E99 PolarHBondContact O-N 3.32Å; L97-E99 PolarHBondContact O-N 3.03Å; E99-Y103 HydrophobicContact CB-CD1 3.81Å; E99-Y103 HydrophobicContact CB-CE1 4.21Å; E99-Y103 HydrophobicContact CB-CG 4.08Å; E99-Y103 WeakPolarHBondContact O-CD1 3.44Å
100T86.7Confident89Confident25 Ų2591.1 Ų91.115%0.15344%0.439CS..  trans-91178.6172.7720000111.2D93 F95 E98 R102 Y103D93-T100 PolarHBondContact O-OG1 3.38Å; F95-T100 PolarHBondContact N-OG1 3.4Å; F95-T100 PolarHBondContact O-OG1 2.95Å; F95-T100 VanDerWaalsContact O-OG1 3.1Å; E98-T100 HydrophobicContact CB-CG2 4.18Å; E98-T100 WeakPolarHBondContact O-CG2 3.29Å; E98-T100 PolarHBondContact O-N 3.36Å; T100-R102 PolarHBondContact O-N 2.9Å; T100-Y103 PolarHBondContact O-N 3.29Å
101G91.4Very high88.9Confident2 Ų296.4 Ų96.42%0.02146%0.461CS..THydrogen-bonded Turntrans65-111.6168.300000114.1V90 D93 Y103 K104 Y105V90-G101 CarbonylContact O-C 3.59Å; V90-G101 WeakPolarHBondContact O-CA 3.39Å; V90-G101 VanDerWaalsContact O-O 3.14Å; D93-G101 WeakPolarHBondContact O-CA 3.39Å; D93-G101 PolarHBondContact O-N 2.99Å; G101-Y103 VanDerWaalsContact C-N 3.28Å; G101-Y103 PolarHBondContact O-N 3.05Å; G101-K104 PolarHBondContact O-N 2.92Å; G101-Y105 PolarHBondContact O-N 2.6Å
102R91.6Very high88.9Confident131 Ų13198.9 Ų98.949%0.49447%0.47SS..Hα-helixtrans-57.1-37.6179.4-64.1-173.8-179.3840.1113.2L91 S96 T100 Y105 L106L91-R102 HydrophobicContact CD1-CG 4.05Å; S96-R102 PolarHBondContact OG-NH1 3.13Å; T100-R102 PolarHBondContact O-N 2.9Å; R102-Y105 WeakPolarHBondContact O-CB 3.36Å; R102-Y105 PolarHBondContact O-N 3.38Å; R102-L106 WeakPolarHBondContact O-CG 3.28Å; R102-L106 PolarHBondContact O-N 2.91Å
103Y92.5Very high88.9Confident105 Ų10596.3 Ų96.341%0.41247%0.467SS..Hα-helixtrans-65.8-50.2179-179.1-91.8000110.7E99 T100 G101 Y105 L106 L107E99-Y103 HydrophobicContact CB-CD1 3.81Å; E99-Y103 HydrophobicContact CB-CE1 4.21Å; E99-Y103 HydrophobicContact CB-CG 4.08Å; E99-Y103 WeakPolarHBondContact O-CD1 3.44Å; T100-Y103 PolarHBondContact O-N 3.29Å; G101-Y103 VanDerWaalsContact C-N 3.28Å; G101-Y103 PolarHBondContact O-N 3.05Å; Y103-Y105 VanDerWaalsContact C-N 3.3Å; Y103-Y105 PolarHBondContact O-N 2.88Å; Y103-L106 PolarHBondContact O-N 3.33Å; Y103-L106 VanDerWaalsContact O-N 3.11Å; Y103-L107 HydrophobicContact CD1-CD1 3.95Å; Y103-L107 HydrophobicContact CE1-CD1 3.45Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.45Å; Y103-L107 HydrophobicContact CE1-CG 4.17Å; Y103-L107 PolarHBondContact O-N 3.4Å; Y103-L107 VanDerWaalsContact O-N 3.17Å
104K92.2Very high88.9Confident93 Ų9394 Ų9440%0.40446%0.457SS..Hα-helixtrans-56.8-42.6173.2-68.6179.5-176.4170.80111.8V90 G101 L106 L107 L108V90-K104 HydrophobicContact CG1-CB 3.98Å; G101-K104 PolarHBondContact O-N 2.92Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-L106 PolarHBondContact O-N 3.25Å; K104-L107 PolarHBondContact O-N 3.5Å; K104-L108 WeakPolarHBondContact O-CG 3.34Å; K104-L108 PolarHBondContact O-N 3.3Å
105Y92.6Very high88.9Confident42 Ų4294.3 Ų94.317%0.16545%0.445CS..Hα-helixtrans-57.4-45175.4166.6-101.3000112.4T87 L91 G101 R102 Y103 L107 L108 R109T87-Y105 HydrophobicContact CG2-CD2 3.56Å; T87-Y105 HydrophobicContact CG2-CE2 3.47Å; T87-Y105 VanDerWaalsContact CG2-CE2 3.47Å; L91-Y105 HydrophobicContact CB-CD2 4.41Å; L91-Y105 HydrophobicContact CB-CG 4.43Å; L91-Y105 HydrophobicContact CD1-CD1 3.48Å; L91-Y105 VanDerWaalsContact CD1-CD1 3.48Å; L91-Y105 HydrophobicContact CD1-CD2 4.18Å; L91-Y105 HydrophobicContact CD1-CE1 3.95Å; L91-Y105 HydrophobicContact CD1-CG 3.57Å; G101-Y105 PolarHBondContact O-N 2.6Å; R102-Y105 WeakPolarHBondContact O-CB 3.36Å; R102-Y105 PolarHBondContact O-N 3.38Å; Y103-Y105 VanDerWaalsContact C-N 3.3Å; Y103-Y105 PolarHBondContact O-N 2.88Å; Y105-L107 VanDerWaalsContact C-N 3.34Å; Y105-L107 PolarHBondContact O-N 3.43Å; Y105-L108 PolarHBondContact O-N 3.01Å; Y105-R109 WeakPolarHBondContact O-CB 3.36Å; Y105-R109 PolarHBondContact O-N 3.3Å; Y105-R109 WeakPolarHBondContact OH-CD 3.37Å; Y105-R109 PolarHBondContact OH-NE 3.46Å
106L91.9Very high89.3Confident99 Ų9991 Ų9152%0.51844%0.438SS..Hα-helixtrans-64.3-38.8179.6-71.5175000112.2R102 Y103 K104 R109 K110R102-L106 WeakPolarHBondContact O-CG 3.28Å; R102-L106 PolarHBondContact O-N 2.91Å; Y103-L106 PolarHBondContact O-N 3.33Å; Y103-L106 VanDerWaalsContact O-N 3.11Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-L106 PolarHBondContact O-N 3.25Å; L106-R109 PolarHBondContact O-N 3.42Å; L106-K110 PolarHBondContact O-N 2.95Å; L106-K110 VanDerWaalsContact O-N 3.09Å
107L92.4Very high90Very high84 Ų8490.1 Ų90.144%0.4443%0.427SS..Hα-helixtrans-62.3-51174.1-70.8175.7000111.4Y103 K104 Y105 R109 K110 Q111Y103-L107 HydrophobicContact CD1-CD1 3.95Å; Y103-L107 HydrophobicContact CE1-CD1 3.45Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.45Å; Y103-L107 HydrophobicContact CE1-CG 4.17Å; Y103-L107 PolarHBondContact O-N 3.4Å; Y103-L107 VanDerWaalsContact O-N 3.17Å; K104-L107 PolarHBondContact O-N 3.5Å; Y105-L107 VanDerWaalsContact C-N 3.34Å; Y105-L107 PolarHBondContact O-N 3.43Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.02Å; L107-K110 PolarHBondContact O-N 3.36Å; L107-Q111 PolarHBondContact O-N 3.46Å
108L92.4Very high90.5Very high74 Ų7483.5 Ų83.539%0.38739%0.391SS..Hα-helixtrans-61.9-37.9177.6-67.8171.1000111.9V90 K104 Y105 K110 Q111V90-L108 HydrophobicContact CG1-CD1 3.99Å; K104-L108 WeakPolarHBondContact O-CG 3.34Å; K104-L108 PolarHBondContact O-N 3.3Å; Y105-L108 PolarHBondContact O-N 3.01Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.45Å; L108-Q111 PolarHBondContact O-N 3.32Å
109R91.4Very high90.7Very high68 Ų6881.3 Ų81.326%0.25738%0.383SS..Hα-helixtrans-68.7-29.2179.7-173.6175.5-171.2-106.2-5.3112.9Y105 L106 L107 Q111 K117 Y118Y105-R109 WeakPolarHBondContact O-CB 3.36Å; Y105-R109 PolarHBondContact O-N 3.3Å; Y105-R109 WeakPolarHBondContact OH-CD 3.37Å; Y105-R109 PolarHBondContact OH-NE 3.46Å; L106-R109 PolarHBondContact O-N 3.42Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.02Å; R109-Q111 VanDerWaalsContact C-N 3.31Å; R109-K117 HydrophobicContact CG-CD 3.92Å; R109-K117 PolarHBondContact O-NZ 3.48Å; R109-Y118 PolarHBondContact NH2-OH 3.25Å
110K91Very high91Very high178 Ų17880.2 Ų80.277%0.77437%0.374SS*.Hα-helixtrans-67.2-33.1173.7-83.2-177.4175.2-178.10112.1L106 L107 L108 K112L106-K110 PolarHBondContact O-N 2.95Å; L106-K110 VanDerWaalsContact O-N 3.09Å; L107-K110 PolarHBondContact O-N 3.36Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.45Å; K110-K112 VanDerWaalsContact C-N 3.34Å
111Q92Very high91.2Very high153 Ų15381 Ų8172%0.71538%0.38SS*.Hα-helixtrans-72-26.3-179.9-64.5176.7-10.300113.3L107 L108 R109L107-Q111 PolarHBondContact O-N 3.46Å; L108-Q111 PolarHBondContact O-N 3.32Å; R109-Q111 VanDerWaalsContact C-N 3.31Å
112K90.4Very high91.1Very high89 Ų8985 Ų8539%0.38740%0.4SS..SBendtrans-79.2137.8178-69.5-176.3178.3176.70111.6T87 K110 K117T87-K112 PolarHBondContact OG1-NZ 3Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K112-K117 HydrophobicContact CB-CD 4.21Å; K112-K117 HydrophobicContact CB-CG 4.31Å; K112-K117 VanDerWaalsContact O-CE 3.25Å; K112-K117 WeakPolarHBondContact O-CE 3.37Å; K112-K117 PolarHBondContact O-NZ 3.03Å
113D90.9Very high91Very high108 Ų10881.8 Ų81.858%0.57840%0.395SS*.  trans-63.4149.8174.7-66.5-43.3000112.6E115 V116 K117D113-E115 PolarHBondContact O-N 3.49Å; D113-V116 HydrophobicContact CB-CG2 4.39Å; D113-V116 PolarHBondContact O-N 3.39Å; D113-K117 WeakPolarHBondContact O-CE 3.5Å; D113-K117 PolarHBondContact O-N 3.25Å
114P91.3Very high91Very high34 Ų3480.6 Ų80.622%0.22140%0.402CS..Hα-helixtrans-60.8-32177.426.9-34.6000112.2V116 K117 Y118 W126 W130P114-V116 PolarHBondContact O-N 2.93Å; P114-K117 PolarHBondContact O-N 2.98Å; P114-Y118 HydrophobicContact CB-CD2 4.08Å; P114-Y118 HydrophobicContact CB-CE2 4.44Å; P114-Y118 VanDerWaalsContact O-CD2 3.28Å; P114-Y118 WeakPolarHBondContact O-CD2 3.4Å; P114-Y118 PolarHBondContact O-N 3.25Å; P114-W126 HydrophobicContact CB-CD2 4.07Å; P114-W126 HydrophobicContact CB-CE3 3.94Å; P114-W126 HydrophobicContact CB-CH2 4.02Å; P114-W126 HydrophobicContact CB-CZ2 4.08Å; P114-W126 HydrophobicContact CB-CZ3 3.92Å; P114-W126 HydrophobicContact CG-CD2 4.47Å; P114-W130 HydrophobicContact CB-CH2 4.39Å; P114-W130 HydrophobicContact CB-CZ3 3.94Å; P114-W130 HydrophobicContact CG-CZ3 4.15Å
115E90.3Very high90.9Very high55 Ų5582.6 Ų82.626%0.25742%0.417SS..Hα-helixtrans-61.6-32.2178.7-60.6-176.9-163.400113.4R81 D113 Y118 W130 G131R81-E115 PolarHBondContact NE-O 3.03Å; D113-E115 PolarHBondContact O-N 3.49Å; E115-Y118 VanDerWaalsContact O-O 3.12Å; E115-W130 HydrophobicContact CB-CH2 4.36Å; E115-W130 HydrophobicContact CB-CZ2 4.3Å; E115-W130 HydrophobicContact CG-CD2 3.81Å; E115-W130 HydrophobicContact CG-CE3 3.78Å; E115-W130 HydrophobicContact CG-CG 4.46Å; E115-W130 HydrophobicContact CG-CH2 4.02Å; E115-W130 HydrophobicContact CG-CZ2 4.04Å; E115-W130 HydrophobicContact CG-CZ3 3.89Å; E115-W130 VanDerWaalsContact OE1-CA 3.28Å; E115-W130 WeakPolarHBondContact OE1-CA 3.32Å; E115-G131 PolarHBondContact OE1-N 2.95Å; E115-G131 WeakPolarHBondContact OE2-CA 3.5Å; E115-G131 PolarHBondContact OE2-N 2.9Å; E115-G131 VanDerWaalsContact OE2-N 3.16Å
116V89.8Confident90.8Very high89 Ų8984.2 Ų84.254%0.53942%0.423SS..Hα-helixtrans-77.8-25.6176.7-177.50000111.5R81 D113 P114R81-V116 VanDerWaalsContact CD-O 3.25Å; R81-V116 WeakPolarHBondContact CD-O 3.49Å; D113-V116 HydrophobicContact CB-CG2 4.39Å; D113-V116 PolarHBondContact O-N 3.39Å; P114-V116 PolarHBondContact O-N 2.93Å
117K90.6Very high90.7Very high41 Ų4184.4 Ų84.418%0.17842%0.421CS..Hα-helixtrans-92.1-37.9-175.7-66.8177.3-62.4-154.20112.5M80 R81 R109 K112 D113 P114M80-K117 WeakPolarHBondContact CA-O 3.33Å; R81-K117 PolarHBondContact N-O 3.37Å; R109-K117 HydrophobicContact CG-CD 3.92Å; R109-K117 PolarHBondContact O-NZ 3.48Å; K112-K117 HydrophobicContact CB-CD 4.21Å; K112-K117 HydrophobicContact CB-CG 4.31Å; K112-K117 VanDerWaalsContact O-CE 3.25Å; K112-K117 WeakPolarHBondContact O-CE 3.37Å; K112-K117 PolarHBondContact O-NZ 3.03Å; D113-K117 WeakPolarHBondContact O-CE 3.5Å; D113-K117 PolarHBondContact O-N 3.25Å; P114-K117 PolarHBondContact O-N 2.98Å
118Y91.2Very high90.5Very high26 Ų2690.5 Ų90.510%0.10244%0.44CS..BIsolated β-bridgetrans-114.7149.9-171.5-59-87.3000110.9V79 M80 R81 R109 P114 E115 I122 W126V79-Y118 HydrophobicContact CG1-CD1 4.41Å; M80-Y118 HydrophobicContact CE-CD1 3.84Å; M80-Y118 HydrophobicContact CE-CE1 2.97Å; M80-Y118 WeakPolarHBondContact CE-OH 3.26Å; M80-Y118 HydrophobicContact CG-CD1 4.26Å; M80-Y118 HydrophobicContact CG-CE1 4.24Å; M80-Y118 HydrophobicContact SD-CD1 3.35Å; M80-Y118 WeakPolarHBondContact SD-CD1 3.37Å; M80-Y118 HydrophobicContact SD-CE1 3.09Å; M80-Y118 WeakPolarHBondContact SD-CE1 3.5Å; M80-Y118 HydrophobicContact SD-CE2 4.26Å; M80-Y118 HydrophobicContact SD-CG 4.11Å; M80-Y118 VanDerWaalsContact SD-CZ 3.56Å; R81-Y118 PolarHBondContact NE-O 3.3Å; R81-Y118 VanDerWaalsContact NE-O 3.14Å; R109-Y118 PolarHBondContact NH2-OH 3.25Å; P114-Y118 HydrophobicContact CB-CD2 4.08Å; P114-Y118 HydrophobicContact CB-CE2 4.44Å; P114-Y118 VanDerWaalsContact O-CD2 3.28Å; P114-Y118 WeakPolarHBondContact O-CD2 3.4Å; P114-Y118 PolarHBondContact O-N 3.25Å; E115-Y118 VanDerWaalsContact O-O 3.12Å; Y118-I122 HydrophobicContact CD1-CD1 3.29Å; Y118-I122 HydrophobicContact CD1-CG1 3.98Å; Y118-I122 HydrophobicContact CE1-CD1 3.15Å; Y118-I122 HydrophobicContact CE1-CG1 4.23Å; Y118-I122 HydrophobicContact CG-CD1 4.22Å; Y118-W126 HydrophobicContact CD1-CZ3 4.37Å; Y118-W126 HydrophobicContact CD2-CE3 4.45Å; Y118-W126 AromaticContact CD2-CH2 3.68Å; Y118-W126 HydrophobicContact CD2-CH2 3.68Å; Y118-W126 AromaticContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CE1-CH2 4.41Å; Y118-W126 HydrophobicContact CE1-CZ3 4.37Å; Y118-W126 AromaticContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CZ2 4.41Å; Y118-W126 AromaticContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CG-CH2 4.47Å; Y118-W126 AromaticContact CG-CZ3 3.87Å; Y118-W126 HydrophobicContact CG-CZ3 3.87Å; Y118-W126 AromaticContact CZ-CH2 3.69Å
119L89.5Confident90.1Very high92 Ų9288.2 Ų88.248%0.48244%0.435SS..SBendtrans-76.4-31.1177.1-165.267.3000111.5V79V79-L119 PolarHBondContact O-N 3.24Å
120Y88.9Confident90.1Very high96 Ų9688.1 Ų88.138%0.37643%0.434SS..SBendtrans-144.6157.7-178.647.8-94.4000111V79 I122V79-Y120 HydrophobicContact CG1-CE2 4.02Å; Y120-I122 PolarHBondContact O-N 3.25Å
121P91.5Very high89.9Confident43 Ų4381.4 Ų81.428%0.27942%0.416SS..  trans-64.812117625.3-32.2000110W126 Q127 W130P121-W126 HydrophobicContact CB-CB 3.73Å; P121-Q127 HydrophobicContact CG-CG 4.43Å; P121-W130 HydrophobicContact CB-CD2 3.94Å; P121-W130 HydrophobicContact CB-CE3 3.77Å; P121-W130 HydrophobicContact CB-CG 4.44Å; P121-W130 HydrophobicContact CB-CZ3 4.12Å; P121-W130 HydrophobicContact CG-CD2 4.14Å; P121-W130 HydrophobicContact CG-CE3 4.47Å; P121-W130 HydrophobicContact CG-CG 4.26Å
122I89.3Confident89.5Confident86 Ų8678.3 Ų78.344%0.44140%0.404SS..  trans-78.9-39.6179.7-62.6-177.3000111V79 Y118 Y120 W126V79-I122 HydrophobicContact CG1-CD1 3.47Å; V79-I122 VanDerWaalsContact CG1-CD1 3.47Å; V79-I122 HydrophobicContact CG1-CG1 3.84Å; Y118-I122 HydrophobicContact CD1-CD1 3.29Å; Y118-I122 HydrophobicContact CD1-CG1 3.98Å; Y118-I122 HydrophobicContact CE1-CD1 3.15Å; Y118-I122 HydrophobicContact CE1-CG1 4.23Å; Y118-I122 HydrophobicContact CG-CD1 4.22Å; Y120-I122 PolarHBondContact O-N 3.25Å; I122-W126 HydrophobicContact CB-CE3 4.43Å; I122-W126 HydrophobicContact CB-CZ3 4.13Å; I122-W126 HydrophobicContact CD1-CZ3 4.41Å; I122-W126 HydrophobicContact CG1-CZ3 4.18Å
123T89.6Confident88.9Confident62 Ų6277.4 Ų77.438%0.3842%0.42SS..SBendtrans-106152.9-175.861.90000110.6N125 W126T123-N125 PolarHBondContact O-N 3.42Å; T123-W126 PolarHBondContact O-N 2.79Å; T123-W126 VanDerWaalsContact O-N 3.09Å; T123-W126 VanDerWaalsContact OG1-CG 3.29Å
124S90.9Very high88Confident81 Ų8179.2 Ų79.257%0.56643%0.43SS*.G310 helixtrans-57.5-36174.147.40000112.1W126 Q127S124-W126 PolarHBondContact O-N 2.91Å; S124-Q127 WeakPolarHBondContact O-CB 3.42Å; S124-Q127 PolarHBondContact O-N 2.91Å; S124-Q127 PolarHBondContact O-OE1 3.01Å
125N90.1Very high86.8Confident135 Ų13584 Ų8472%0.72245%0.45SS*.G310 helixtrans-64.2-23.6179-67.220.1000112.9T123T123-N125 PolarHBondContact O-N 3.42Å
126W91.6Very high85.4Confident76 Ų7688.2 Ų88.229%0.28848%0.475SS..G310 helixtrans-86.1-11.3176.1-66.3-2000113.2P114 Y118 P121 I122 T123 S124 Y128 W130P114-W126 HydrophobicContact CB-CD2 4.07Å; P114-W126 HydrophobicContact CB-CE3 3.94Å; P114-W126 HydrophobicContact CB-CH2 4.02Å; P114-W126 HydrophobicContact CB-CZ2 4.08Å; P114-W126 HydrophobicContact CB-CZ3 3.92Å; P114-W126 HydrophobicContact CG-CD2 4.47Å; Y118-W126 HydrophobicContact CD1-CZ3 4.37Å; Y118-W126 HydrophobicContact CD2-CE3 4.45Å; Y118-W126 AromaticContact CD2-CH2 3.68Å; Y118-W126 HydrophobicContact CD2-CH2 3.68Å; Y118-W126 AromaticContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CE1-CH2 4.41Å; Y118-W126 HydrophobicContact CE1-CZ3 4.37Å; Y118-W126 AromaticContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CZ2 4.41Å; Y118-W126 AromaticContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CG-CH2 4.47Å; Y118-W126 AromaticContact CG-CZ3 3.87Å; Y118-W126 HydrophobicContact CG-CZ3 3.87Å; Y118-W126 AromaticContact CZ-CH2 3.69Å; P121-W126 HydrophobicContact CB-CB 3.73Å; I122-W126 HydrophobicContact CB-CE3 4.43Å; I122-W126 HydrophobicContact CB-CZ3 4.13Å; I122-W126 HydrophobicContact CD1-CZ3 4.41Å; I122-W126 HydrophobicContact CG1-CZ3 4.18Å; T123-W126 PolarHBondContact O-N 2.79Å; T123-W126 VanDerWaalsContact O-N 3.09Å; T123-W126 VanDerWaalsContact OG1-CG 3.29Å; S124-W126 PolarHBondContact O-N 2.91Å; W126-Y128 PolarHBondContact O-N 3.41Å; W126-W130 HydrophobicContact CB-CE3 4.04Å; W126-W130 HydrophobicContact CB-CZ3 4.19Å; W126-W130 HydrophobicContact CD2-CZ3 4.35Å; W126-W130 HydrophobicContact CE3-CH2 4.4Å; W126-W130 AromaticContact CE3-CZ3 3.81Å; W126-W130 HydrophobicContact CE3-CZ3 3.81Å; W126-W130 WeakPolarHBondContact O-CB 3.43Å
127Q88.8Confident84.2Confident103 Ų10393.9 Ų93.948%0.48149%0.492SS..THydrogen-bonded Turntrans-63.6-35.8176.5-69.4174.7-57.900111.1P121 S124P121-Q127 HydrophobicContact CG-CG 4.43Å; S124-Q127 WeakPolarHBondContact O-CB 3.42Å; S124-Q127 PolarHBondContact O-N 2.91Å; S124-Q127 PolarHBondContact O-OE1 3.01Å
128Y88.3Confident83.1Confident211 Ų21195.5 Ų95.583%0.82751%0.513SS*.THydrogen-bonded Turntrans-76.2127.8172.6-173.3-100000110W126 W130W126-Y128 PolarHBondContact O-N 3.41Å; Y128-W130 VanDerWaalsContact C-N 3.31Å; Y128-W130 PolarHBondContact O-N 2.99Å
129G85.9Confident82.1Confident27 Ų27103.9 Ų103.928%0.27855%0.546SS..THydrogen-bonded Turntrans85.4-7.6-18000000115.3G131 L132G129-G131 PolarHBondContact O-N 3.4Å; G129-L132 WeakPolarHBondContact O-CB 3.23Å; G129-L132 PolarHBondContact O-N 3.44Å; G129-L132 VanDerWaalsContact O-N 3.14Å
130W91.3Very high81.2Confident65 Ų65104.8 Ų104.825%0.24656%0.556CS.*THydrogen-bonded Turntrans-63.6122.7178.9-160.4-92.4000112.2P114 E115 P121 W126 Y128 L132P114-W130 HydrophobicContact CB-CH2 4.39Å; P114-W130 HydrophobicContact CB-CZ3 3.94Å; P114-W130 HydrophobicContact CG-CZ3 4.15Å; E115-W130 HydrophobicContact CB-CH2 4.36Å; E115-W130 HydrophobicContact CB-CZ2 4.3Å; E115-W130 HydrophobicContact CG-CD2 3.81Å; E115-W130 HydrophobicContact CG-CE3 3.78Å; E115-W130 HydrophobicContact CG-CG 4.46Å; E115-W130 HydrophobicContact CG-CH2 4.02Å; E115-W130 HydrophobicContact CG-CZ2 4.04Å; E115-W130 HydrophobicContact CG-CZ3 3.89Å; E115-W130 VanDerWaalsContact OE1-CA 3.28Å; E115-W130 WeakPolarHBondContact OE1-CA 3.32Å; P121-W130 HydrophobicContact CB-CD2 3.94Å; P121-W130 HydrophobicContact CB-CE3 3.77Å; P121-W130 HydrophobicContact CB-CG 4.44Å; P121-W130 HydrophobicContact CB-CZ3 4.12Å; P121-W130 HydrophobicContact CG-CD2 4.14Å; P121-W130 HydrophobicContact CG-CE3 4.47Å; P121-W130 HydrophobicContact CG-CG 4.26Å; W126-W130 HydrophobicContact CB-CE3 4.04Å; W126-W130 HydrophobicContact CB-CZ3 4.19Å; W126-W130 HydrophobicContact CD2-CZ3 4.35Å; W126-W130 HydrophobicContact CE3-CH2 4.4Å; W126-W130 AromaticContact CE3-CZ3 3.81Å; W126-W130 HydrophobicContact CE3-CZ3 3.81Å; W126-W130 WeakPolarHBondContact O-CB 3.43Å; Y128-W130 VanDerWaalsContact C-N 3.31Å; Y128-W130 PolarHBondContact O-N 2.99Å; W130-L132 VanDerWaalsContact C-N 3.28Å
131G86.3Confident80.6Confident38 Ų38103.2 Ų103.239%0.39256%0.557SS.*THydrogen-bonded Turntrans7712.1-179.800000113.6E115 G129E115-G131 PolarHBondContact OE1-N 2.95Å; E115-G131 WeakPolarHBondContact OE2-CA 3.5Å; E115-G131 PolarHBondContact OE2-N 2.9Å; E115-G131 VanDerWaalsContact OE2-N 3.16Å; G129-G131 PolarHBondContact O-N 3.4Å
132L83.6Confident79.9Confident87 Ų87108.2 Ų108.246%0.45558%0.578SS.*  trans-82.4-18.4178.7-89.267000113.3G129 W130 D134 M135G129-L132 WeakPolarHBondContact O-CB 3.23Å; G129-L132 PolarHBondContact O-N 3.44Å; G129-L132 VanDerWaalsContact O-N 3.14Å; W130-L132 VanDerWaalsContact C-N 3.28Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.42Å; L132-M135 HydrophobicContact CB-CG 4.21Å; L132-M135 HydrophobicContact CD1-CE 4.09Å; L132-M135 HydrophobicContact CD2-CE 4.29Å; L132-M135 HydrophobicContact CG-CE 3.68Å; L132-M135 HydrophobicContact CG-CG 4.12Å; L132-M135 VanDerWaalsContact O-CB 3.26Å; L132-M135 WeakPolarHBondContact O-CB 3.49Å; L132-M135 VanDerWaalsContact O-CG 3.28Å; L132-M135 WeakPolarHBondContact O-CG 3.4Å; L132-M135 PolarHBondContact O-N 3.03Å
133G77.6Confident79.5Confident71 Ų71111 Ų11173%0.73258%0.584SS**THydrogen-bonded Turntrans-62.8-33.4-178.500000113.9
134D71.3Confident78.8Confident146 Ų146109.6 Ų109.678%0.78158%0.579SS**THydrogen-bonded Turntrans-95.44.6179.1-71.1-21.6000113.1L132 N136L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.42Å; D134-N136 VanDerWaalsContact C-N 3.31Å; D134-N136 WeakPolarHBondContact O-CA 3.36Å; D134-N136 PolarHBondContact O-N 3.4Å
135M67.5Low78Confident133 Ų133112.1 Ų112.166%0.65559%0.585SS**SBendtrans-55.2103.8170.4-71.9-96-129.400106.7L132 K137L132-M135 HydrophobicContact CB-CG 4.21Å; L132-M135 HydrophobicContact CD1-CE 4.09Å; L132-M135 HydrophobicContact CD2-CE 4.29Å; L132-M135 HydrophobicContact CG-CE 3.68Å; L132-M135 HydrophobicContact CG-CG 4.12Å; L132-M135 VanDerWaalsContact O-CB 3.26Å; L132-M135 WeakPolarHBondContact O-CB 3.49Å; L132-M135 VanDerWaalsContact O-CG 3.28Å; L132-M135 WeakPolarHBondContact O-CG 3.4Å; L132-M135 PolarHBondContact O-N 3.03Å; M135-K137 PolarHBondContact O-N 2.92Å
136N60.3Low77.5Confident145 Ų145110 Ų11078%0.77557%0.574SS**  trans-33.4122.9-164.9-62.3-63.5000109.9D134 A138D134-N136 VanDerWaalsContact C-N 3.31Å; D134-N136 WeakPolarHBondContact O-CA 3.36Å; D134-N136 PolarHBondContact O-N 3.4Å; N136-A138 WeakPolarHBondContact O-CA 3.49Å; N136-A138 PolarHBondContact O-N 2.92Å
137K64.5Low77.1Confident207 Ų207108.9 Ų108.990%0.958%0.581SS**  trans-49.898.3156.2-69.3179.3-176.6-176.40103.9M135 Y139M135-K137 PolarHBondContact O-N 2.92Å; K137-Y139 PolarHBondContact O-N 3.35Å
138A67.6Low77Confident75 Ų75108.9 Ų108.962%0.6258%0.583SS**  trans-51.6124.8-171.600000104.6N136 V140N136-A138 WeakPolarHBondContact O-CA 3.49Å; N136-A138 PolarHBondContact O-N 2.92Å; A138-V140 VanDerWaalsContact C-N 3.27Å; A138-V140 WeakPolarHBondContact O-CG2 3.35Å; A138-V140 PolarHBondContact O-N 2.91Å
139Y69.4Low76.9Confident203 Ų203102 Ų10280%0.79656%0.563SS**  trans-57.2100-176.6171.4-98.1000106.8K137 P141K137-Y139 PolarHBondContact O-N 3.35Å; Y139-P141 HydrophobicContact CE1-CB 3.96Å; Y139-P141 WeakPolarHBondContact O-CD 3.33Å
140V71.1Confident76.9Confident111 Ų111107.8 Ų107.867%0.67358%0.581SS**  trans-81.3109.5174.1-178.40000103.7A138 M142 A144A138-V140 VanDerWaalsContact C-N 3.27Å; A138-V140 WeakPolarHBondContact O-CG2 3.35Å; A138-V140 PolarHBondContact O-N 2.91Å; V140-M142 PolarHBondContact O-N 3.09Å; V140-A144 HydrophobicContact CG1-CB 4.08Å
141P75.9Confident76.5Confident62 Ų62112.7 Ų112.740%0.40361%0.606SS.*  trans-59.1139.3178.822.1-28.2000108.3Y139 Y143 A144Y139-P141 HydrophobicContact CE1-CB 3.96Å; Y139-P141 WeakPolarHBondContact O-CD 3.33Å; P141-Y143 PolarHBondContact O-N 3.49Å; P141-A144 HydrophobicContact CG-CB 3.85Å; P141-A144 WeakPolarHBondContact O-CB 3.46Å; P141-A144 PolarHBondContact O-N 3.14Å
142M77.1Confident76.5Confident149 Ų149114.8 Ų114.873%0.73462%0.615SS**THydrogen-bonded Turntrans-52.4-21.7-173.9-163.3169.293.500113.7V140V140-M142 PolarHBondContact O-N 3.09Å
143Y79.9Confident76.5Confident145 Ų145118.3 Ų118.357%0.56963%0.627SS**THydrogen-bonded Turntrans-119.625-178.7-54.9-59.9000114.1P141 L145 N146 A147P141-Y143 PolarHBondContact O-N 3.49Å; Y143-L145 VanDerWaalsContact C-N 3.29Å; Y143-L145 PolarHBondContact O-N 3.37Å; Y143-N146 PolarHBondContact O-N 3.32Å; Y143-N146 VanDerWaalsContact O-N 3.13Å; Y143-A147 PolarHBondContact O-N 3.22Å
144A75.7Confident76.8Confident32 Ų32121.8 Ų121.826%0.26462%0.622SS.*Hα-helixtrans-51-47.2-178.400000112.7V140 P141V140-A144 HydrophobicContact CG1-CB 4.08Å; P141-A144 HydrophobicContact CG-CB 3.85Å; P141-A144 WeakPolarHBondContact O-CB 3.46Å; P141-A144 PolarHBondContact O-N 3.14Å
145L73.6Confident77.2Confident134 Ų134124.7 Ų124.770%0.70262%0.622SS**Hα-helixtrans-72-40179.6-63.4174.5000112.2Y143 A147 I148 V149Y143-L145 VanDerWaalsContact C-N 3.29Å; Y143-L145 PolarHBondContact O-N 3.37Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.46Å; L145-I148 PolarHBondContact O-N 3.41Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.08Å
146N80.7Confident77.6Confident89 Ų89128.5 Ų128.548%0.47664%0.635SS.*Hα-helixtrans-68.1-31.4-178.1-65.8-13.9000112.3Y143 K150Y143-N146 PolarHBondContact O-N 3.32Å; Y143-N146 VanDerWaalsContact O-N 3.13Å; N146-K150 WeakPolarHBondContact O-CB 3.31Å; N146-K150 VanDerWaalsContact O-CG 3.28Å; N146-K150 WeakPolarHBondContact O-CG 3.42Å; N146-K150 PolarHBondContact O-N 3.47Å
147A83.1Confident78.3Confident54 Ų54126 Ų12645%0.44662%0.622SS.*Hα-helixtrans-65.1-48.1174.700000111.2Y143 L145 V149 K150 E151Y143-A147 PolarHBondContact O-N 3.22Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.46Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 3.35Å; A147-K150 PolarHBondContact O-N 2.98Å; A147-E151 WeakPolarHBondContact O-CB 3.48Å; A147-E151 PolarHBondContact O-N 2.91Å
148I86.3Confident78.6Confident102 Ų102118.9 Ų118.952%0.52361%0.607SS.*Hα-helixtrans-61.1-43.9178.2-63.9168.2000110.8L145 E151 S152L145-I148 PolarHBondContact O-N 3.41Å; I148-E151 PolarHBondContact O-N 3.11Å; I148-S152 VanDerWaalsContact O-CB 3.26Å; I148-S152 WeakPolarHBondContact O-CB 3.42Å; I148-S152 PolarHBondContact O-N 3.14Å; I148-S152 PolarHBondContact O-OG 3.39Å
149V87.1Confident78.7Confident67 Ų67121.5 Ų121.541%0.40662%0.615SS.*Hα-helixtrans-63-45.2177.8172.10000111.1L145 A147 F153 F154L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.08Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 3.35Å; V149-F153 HydrophobicContact CG1-CD2 4.12Å; V149-F153 WeakPolarHBondContact O-CB 3.47Å; V149-F153 PolarHBondContact O-N 3.47Å; V149-F154 HydrophobicContact CG1-CE2 4.18Å
150K84.6Confident78.8Confident148 Ų148119.5 Ų119.564%0.64361%0.611SS**Hα-helixtrans-60.7-45.2177-79.2179.4-179.7-176.40112.1N146 A147 F154N146-K150 WeakPolarHBondContact O-CB 3.31Å; N146-K150 VanDerWaalsContact O-CG 3.28Å; N146-K150 WeakPolarHBondContact O-CG 3.42Å; N146-K150 PolarHBondContact O-N 3.47Å; A147-K150 PolarHBondContact O-N 2.98Å; K150-F154 WeakPolarHBondContact O-CB 3.41Å; K150-F154 PolarHBondContact O-N 3.37Å; K150-F154 VanDerWaalsContact O-O 3.09Å
151E83.1Confident78.5Confident169 Ų169118.7 Ų118.779%0.7961%0.608SS**Hα-helixtrans-73.8-34.4-176.6-168.4165.3-163.500113A147 I148A147-E151 WeakPolarHBondContact O-CB 3.48Å; A147-E151 PolarHBondContact O-N 2.91Å; I148-E151 PolarHBondContact O-N 3.11Å
152S86.7Confident78Confident81 Ų81126.4 Ų126.457%0.56663%0.629SS**Hα-helixtrans-83.7-44.1-176.8-52.20000113.1I148I148-S152 VanDerWaalsContact O-CB 3.26Å; I148-S152 WeakPolarHBondContact O-CB 3.42Å; I148-S152 PolarHBondContact O-N 3.14Å; I148-S152 PolarHBondContact O-OG 3.39Å
153F84.2Confident77.4Confident161 Ų161124.1 Ų124.171%0.70663%0.628SS**Hα-helixtrans-97.3-26-170.7-68.8-83.2000113.5V149V149-F153 HydrophobicContact CG1-CD2 4.12Å; V149-F153 WeakPolarHBondContact O-CB 3.47Å; V149-F153 PolarHBondContact O-N 3.47Å
154F84Confident76.5Confident144 Ų144119.3 Ų119.363%0.63262%0.618SS**  trans-108.9124-176.3-60.1-90.5000110.6V149 K150V149-F154 HydrophobicContact CG1-CE2 4.18Å; K150-F154 WeakPolarHBondContact O-CB 3.41Å; K150-F154 PolarHBondContact O-N 3.37Å; K150-F154 VanDerWaalsContact O-O 3.09Å
155R79Confident75.9Confident207 Ų207124.6 Ų124.678%0.78165%0.647SS**  trans-98.7140.3174.5-61.5-178.7-178.1-1750.2109.1N157R155-N157 VanDerWaalsContact C-N 3.34Å; R155-N157 WeakPolarHBondContact CB-O 3.5Å
156K76.6Confident75.5Confident213 Ų213122.4 Ų122.493%0.92664%0.643SS**SBendtrans-68.8-34.6-178.6-165.6177.4-178-176.90112.6
157N73.3Confident74.5Confident93 Ų93123.4 Ų123.450%0.49765%0.649SS.*SBendtrans-103.5126.4172.2-54.8-6.9000105.3R155 P161R155-N157 VanDerWaalsContact C-N 3.34Å; R155-N157 WeakPolarHBondContact CB-O 3.5Å; N157-P161 PolarHBondContact ND2-O 3.23Å
158G70.8Confident73.5Confident58 Ų58126.8 Ų126.860%0.59866%0.664SS**  trans-62.6-137.4-172.400000114.4F160G158-F160 PolarHBondContact O-N 3.2Å; G158-F160 VanDerWaalsContact O-N 3.08Å
159V71.2Confident72Confident130 Ų130128.2 Ų128.279%0.78868%0.677SS**SBendtrans-59.7-28.2-173.7-177.80000112.6P161V159-P161 WeakPolarHBondContact O-CD 3.42Å
160F70.7Confident70.1Confident161 Ų161133 Ų13371%0.70672%0.724SS**  trans-113.3100.4179.4-55.1-69.1000110.7G158 R162G158-F160 PolarHBondContact O-N 3.2Å; G158-F160 VanDerWaalsContact O-N 3.08Å; F160-R162 PolarHBondContact O-N 3.08Å
161P64.4Low69.3Low94 Ų94132.3 Ų132.361%0.6173%0.728SS**SBendtrans-72.9-16.7-179.127.6-34000113.4N157 V159N157-P161 PolarHBondContact ND2-O 3.23Å; V159-P161 WeakPolarHBondContact O-CD 3.42Å
162R66.8Low68.6Low223 Ų223130.4 Ų130.484%0.84273%0.725SS**SBendtrans-116.8111177.4-165.6175.8-167.3-169.52.6107.2F160 A164F160-R162 PolarHBondContact O-N 3.08Å; R162-A164 PolarHBondContact O-N 3.37Å; R162-A164 VanDerWaalsContact O-N 3.16Å
163S64.4Low67.6Low101 Ų101133.1 Ų133.171%0.70673%0.733SS**  trans-60.8117.4167.851.50000107.3
164A61.4Low66.6Low45 Ų45131.5 Ų131.537%0.37274%0.735SS.*  trans-64.2141.4169.900000107.5R162 S166 D167R162-A164 PolarHBondContact O-N 3.37Å; R162-A164 VanDerWaalsContact O-N 3.16Å; A164-S166 VanDerWaalsContact CB-OG 3.3Å; A164-S166 WeakPolarHBondContact CB-OG 3.3Å; A164-S166 PolarHBondContact O-N 2.96Å; A164-D167 PolarHBondContact O-N 2.98Å
165T62.9Low65.6Low142 Ų142130.7 Ų130.787%0.87174%0.741SS**THydrogen-bonded Turntrans-58.7-13.9176.541.10000112.9T168T165-T168 PolarHBondContact O-OG1 3.36Å
166S63.6Low64.7Low88 Ų88125.6 Ų125.662%0.61574%0.739SS**THydrogen-bonded Turntrans-74.8-17.7172.754.50000115.1A164A164-S166 VanDerWaalsContact CB-OG 3.3Å; A164-S166 WeakPolarHBondContact CB-OG 3.3Å; A164-S166 PolarHBondContact O-N 2.96Å
167D60.6Low63.8Low111 Ų111119.4 Ų119.459%0.59473%0.725SS**SBendtrans-90.4-10.1-171-65.2-15.1000113.3A164 V169A164-D167 PolarHBondContact O-N 2.98Å; D167-V169 PolarHBondContact O-N 3.16Å
168T62.4Low63.1Low125 Ų125121.4 Ų121.477%0.76774%0.743SS**  trans-84.183.1170.429.70000110.4T165T165-T168 PolarHBondContact O-OG1 3.36Å
169V54.2Low62.4Low132 Ų132126.7 Ų126.780%0.876%0.755SS**  trans-84.9129.7164.1-176.40000108.2D167D167-V169 PolarHBondContact O-N 3.16Å
170A46.6Very low61.6Low168 Ų168126.4 Ų126.4100%1.38875%0.752SS**  trans-60.40178.900000113.9

Retrieved 170 of 170 residues in 35 ms (Link to these results)